| 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 | 46.3 | Very low | 52.3 | Low | 249 Ų | 249 | 122.5 Ų | 122.5 | 100% | 1.227 | 66% | 0.664 | S | S | * | * | 0 | 80.5 | 0 | -62.7 | -170.7 | -144.8 | 0 | 0 | 110.6 | |||||
| 2 | S | 46.1 | Very low | 53.8 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | trans | -168.2 | 26.4 | 170.1 | -154.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3 | S | 42.9 | Very low | 55.2 | Low | 86 Ų | 86 | 114 Ų | 114 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -121.5 | -11.4 | -177.1 | -55.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 4 | I | 47.4 | Very low | 56.6 | Low | 141 Ų | 141 | 114.4 Ų | 114.4 | 72% | 0.723 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -82.2 | -40.6 | -177.9 | -62.5 | 171.9 | 0 | 0 | 0 | 111 | K6 M7 D8 | I4-K6 PolarHBondContact O-N 3.28Å; I4-M7 PolarHBondContact O-N 3.37Å; I4-M7 VanDerWaalsContact O-N 3.13Å; I4-D8 PolarHBondContact O-N 3.49Å |
| 5 | A | 46.9 | Very low | 58 | Low | 78 Ų | 78 | 115.4 Ų | 115.4 | 65% | 0.645 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.7 | -12.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 6 | K | 51.2 | Low | 59.3 | Low | 155 Ų | 155 | 116.4 Ų | 116.4 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -86.8 | -20.6 | 172.3 | -75.3 | -175.8 | 177.4 | 179.3 | 0 | 112.4 | I4 L10 | I4-K6 PolarHBondContact O-N 3.28Å; K6-L10 WeakPolarHBondContact O-CB 3.47Å; K6-L10 PolarHBondContact O-N 2.88Å |
| 7 | M | 50.8 | Low | 60.4 | Low | 120 Ų | 120 | 115.2 Ų | 115.2 | 59% | 0.591 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -83.1 | -43.8 | 179.8 | -72.9 | 176.9 | 79.9 | 0 | 0 | 111.2 | I4 N9 L10 E11 | I4-M7 PolarHBondContact O-N 3.37Å; I4-M7 VanDerWaalsContact O-N 3.13Å; M7-N9 PolarHBondContact O-N 3.24Å; M7-L10 PolarHBondContact O-N 3.22Å; M7-E11 WeakPolarHBondContact O-CB 3.28Å; M7-E11 PolarHBondContact O-N 3.13Å |
| 8 | D | 53.9 | Low | 61.6 | Low | 107 Ų | 107 | 117.9 Ų | 117.9 | 57% | 0.572 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.9 | -41.1 | 176.2 | -72.7 | -22.3 | 0 | 0 | 0 | 112.7 | I4 L10 E11 D12 | I4-D8 PolarHBondContact O-N 3.49Å; D8-L10 VanDerWaalsContact C-N 3.28Å; D8-L10 PolarHBondContact O-N 3.48Å; D8-E11 PolarHBondContact O-N 3.13Å; D8-D12 PolarHBondContact O-N 3.33Å |
| 9 | N | 60.3 | Low | 62.7 | Low | 125 Ų | 125 | 116.6 Ų | 116.6 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66 | -28.6 | 174.6 | -114.3 | -18.8 | 0 | 0 | 0 | 113.1 | M7 A13 | M7-N9 PolarHBondContact O-N 3.24Å; N9-A13 WeakPolarHBondContact O-CB 3.43Å; N9-A13 PolarHBondContact O-N 3.39Å |
| 10 | L | 61.8 | Low | 63.6 | Low | 92 Ų | 92 | 116 Ų | 116 | 48% | 0.482 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -79.8 | -35.7 | 176.1 | -169.6 | 83 | 0 | 0 | 0 | 111 | K6 M7 D8 K14 | K6-L10 WeakPolarHBondContact O-CB 3.47Å; K6-L10 PolarHBondContact O-N 2.88Å; M7-L10 PolarHBondContact O-N 3.22Å; D8-L10 VanDerWaalsContact C-N 3.28Å; D8-L10 PolarHBondContact O-N 3.48Å; L10-K14 HydrophobicContact CG-CD 4.48Å; L10-K14 VanDerWaalsContact O-CB 3.28Å; L10-K14 WeakPolarHBondContact O-CB 3.45Å; L10-K14 WeakPolarHBondContact O-CG 3.17Å; L10-K14 PolarHBondContact O-N 2.86Å |
| 11 | E | 67.3 | Low | 64.4 | Low | 100 Ų | 100 | 117.1 Ų | 117.1 | 47% | 0.467 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.3 | -44.8 | 177.3 | -145.1 | 80.9 | -152 | 0 | 0 | 111 | M7 D8 K14 K15 | M7-E11 WeakPolarHBondContact O-CB 3.28Å; M7-E11 PolarHBondContact O-N 3.13Å; D8-E11 PolarHBondContact O-N 3.13Å; E11-K14 PolarHBondContact O-N 3.03Å; E11-K15 WeakPolarHBondContact O-CG 3.21Å; E11-K15 PolarHBondContact O-N 2.97Å |
| 12 | D | 70.3 | Confident | 66.4 | Low | 84 Ų | 84 | 110.9 Ų | 110.9 | 45% | 0.449 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.5 | -40.2 | 178.5 | -73.9 | -22.3 | 0 | 0 | 0 | 112.1 | D8 K14 K15 E16 | D8-D12 PolarHBondContact O-N 3.33Å; D12-K14 VanDerWaalsContact C-N 3.27Å; D12-K14 PolarHBondContact O-N 2.99Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-K15 VanDerWaalsContact O-N 3.13Å; D12-K15 IonicContact OD1-NZ 3.61Å; D12-E16 PolarHBondContact O-N 3.36Å |
| 13 | A | 72.1 | Confident | 68.3 | Low | 51 Ų | 51 | 111.8 Ų | 111.8 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -34.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N9 L17 | N9-A13 WeakPolarHBondContact O-CB 3.43Å; N9-A13 PolarHBondContact O-N 3.39Å; A13-L17 WeakPolarHBondContact O-CB 3.38Å; A13-L17 PolarHBondContact O-N 2.89Å |
| 14 | K | 74.6 | Confident | 70.4 | Confident | 119 Ų | 119 | 111.8 Ų | 111.8 | 52% | 0.517 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.1 | -37.9 | 173.3 | -81.9 | 172.5 | -178.7 | 174.6 | 0 | 112.4 | L10 E11 D12 K18 | L10-K14 HydrophobicContact CG-CD 4.48Å; L10-K14 VanDerWaalsContact O-CB 3.28Å; L10-K14 WeakPolarHBondContact O-CB 3.45Å; L10-K14 WeakPolarHBondContact O-CG 3.17Å; L10-K14 PolarHBondContact O-N 2.86Å; E11-K14 PolarHBondContact O-N 3.03Å; D12-K14 VanDerWaalsContact C-N 3.27Å; D12-K14 PolarHBondContact O-N 2.99Å; K14-K18 VanDerWaalsContact O-CB 3.29Å; K14-K18 WeakPolarHBondContact O-CB 3.29Å; K14-K18 PolarHBondContact O-N 2.77Å |
| 15 | K | 78.4 | Confident | 72.3 | Confident | 130 Ų | 130 | 110.9 Ų | 110.9 | 57% | 0.565 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.9 | -45.8 | 174.4 | -74.5 | 174.6 | -170.4 | 160.4 | 0 | 111.5 | E11 D12 K18 E19 | E11-K15 WeakPolarHBondContact O-CG 3.21Å; E11-K15 PolarHBondContact O-N 2.97Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-K15 VanDerWaalsContact O-N 3.13Å; D12-K15 IonicContact OD1-NZ 3.61Å; K15-K18 WeakPolarHBondContact O-CB 3.15Å; K15-K18 PolarHBondContact O-N 2.88Å; K15-E19 PolarHBondContact O-N 3.18Å |
| 16 | E | 79.3 | Confident | 74.3 | Confident | 132 Ų | 132 | 112.5 Ų | 112.5 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 175.6 | -75.2 | -173.1 | 168.8 | 0 | 0 | 111.8 | D12 K18 E19 L20 | D12-E16 PolarHBondContact O-N 3.36Å; E16-K18 VanDerWaalsContact C-N 3.31Å; E16-K18 PolarHBondContact O-N 3.2Å; E16-E19 PolarHBondContact O-N 3.43Å; E16-L20 WeakPolarHBondContact O-CB 3.37Å; E16-L20 WeakPolarHBondContact O-CG 3.36Å; E16-L20 PolarHBondContact O-N 2.9Å |
| 17 | L | 77.8 | Confident | 76 | Confident | 96 Ų | 96 | 107.8 Ų | 107.8 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 175.9 | -171.2 | 124.1 | 0 | 0 | 0 | 111.8 | A13 K21 | A13-L17 WeakPolarHBondContact O-CB 3.38Å; A13-L17 PolarHBondContact O-N 2.89Å; L17-K21 HydrophobicContact CD2-CD 4.1Å; L17-K21 VanDerWaalsContact O-CB 3.31Å; L17-K21 WeakPolarHBondContact O-CB 3.25Å; L17-K21 VanDerWaalsContact O-CG 3.25Å; L17-K21 WeakPolarHBondContact O-CG 3.31Å; L17-K21 PolarHBondContact O-N 3.32Å |
| 18 | K | 80.9 | Confident | 77.7 | Confident | 164 Ų | 164 | 106.4 Ų | 106.4 | 71% | 0.713 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.4 | -38.5 | 173.9 | -169.3 | 176 | -177.7 | 179.6 | 0 | 111.6 | K14 K15 E16 R22 | K14-K18 VanDerWaalsContact O-CB 3.29Å; K14-K18 WeakPolarHBondContact O-CB 3.29Å; K14-K18 PolarHBondContact O-N 2.77Å; K15-K18 WeakPolarHBondContact O-CB 3.15Å; K15-K18 PolarHBondContact O-N 2.88Å; E16-K18 VanDerWaalsContact C-N 3.31Å; E16-K18 PolarHBondContact O-N 3.2Å; K18-R22 PolarHBondContact O-N 3.07Å |
| 19 | E | 83.2 | Confident | 79.4 | Confident | 92 Ų | 92 | 105.6 Ų | 105.6 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.8 | -39.7 | 177.2 | -176.7 | 155.4 | -170.9 | 0 | 0 | 112.9 | K15 E16 R22 K23 | K15-E19 PolarHBondContact O-N 3.18Å; E16-E19 PolarHBondContact O-N 3.43Å; E19-R22 PolarHBondContact O-N 2.97Å; E19-R22 IonicContact OE1-NH2 3.78Å; E19-K23 HydrophobicContact CG-CD 4.46Å; E19-K23 WeakPolarHBondContact O-CG 3.14Å; E19-K23 PolarHBondContact O-N 2.93Å; E19-K23 IonicContact OE1-NZ 2.79Å |
| 20 | L | 80.5 | Confident | 80.9 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 172.7 | -76.1 | 169.1 | 0 | 0 | 0 | 111.2 | E16 R22 K23 V24 | E16-L20 WeakPolarHBondContact O-CB 3.37Å; E16-L20 WeakPolarHBondContact O-CG 3.36Å; E16-L20 PolarHBondContact O-N 2.9Å; L20-R22 VanDerWaalsContact C-N 3.34Å; L20-R22 PolarHBondContact O-N 3.39Å; L20-K23 PolarHBondContact O-N 3.07Å; L20-K23 VanDerWaalsContact O-N 3.14Å; L20-V24 WeakPolarHBondContact O-CG2 3.31Å; L20-V24 PolarHBondContact O-N 2.99Å |
| 21 | K | 81.6 | Confident | 82.2 | Confident | 139 Ų | 139 | 103.4 Ų | 103.4 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.6 | -45.2 | 172.1 | -81.3 | 179.4 | 176.4 | -176 | 0 | 112 | L17 K23 V24 E25 | L17-K21 HydrophobicContact CD2-CD 4.1Å; L17-K21 VanDerWaalsContact O-CB 3.31Å; L17-K21 WeakPolarHBondContact O-CB 3.25Å; L17-K21 VanDerWaalsContact O-CG 3.25Å; L17-K21 WeakPolarHBondContact O-CG 3.31Å; L17-K21 PolarHBondContact O-N 3.32Å; K21-K23 VanDerWaalsContact C-N 3.33Å; K21-K23 PolarHBondContact O-N 2.93Å; K21-V24 PolarHBondContact O-N 3.01Å; K21-E25 WeakPolarHBondContact O-CB 3.41Å; K21-E25 PolarHBondContact O-N 3.41Å |
| 22 | R | 86.4 | Confident | 83.3 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 175.3 | -169.9 | -170.5 | 70 | 136.4 | -4.1 | 112.4 | K18 E19 L20 K26 | K18-R22 PolarHBondContact O-N 3.07Å; E19-R22 PolarHBondContact O-N 2.97Å; E19-R22 IonicContact OE1-NH2 3.78Å; L20-R22 VanDerWaalsContact C-N 3.34Å; L20-R22 PolarHBondContact O-N 3.39Å; R22-K26 WeakPolarHBondContact O-CB 3.29Å; R22-K26 VanDerWaalsContact O-CG 3.29Å; R22-K26 WeakPolarHBondContact O-CG 3.49Å; R22-K26 PolarHBondContact O-N 2.88Å |
| 23 | K | 86.8 | Confident | 84.4 | Confident | 113 Ų | 113 | 105 Ų | 105 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 177 | -75.7 | 175.6 | -178.1 | 172.5 | 0 | 111.6 | E19 L20 K21 A27 | E19-K23 HydrophobicContact CG-CD 4.46Å; E19-K23 WeakPolarHBondContact O-CG 3.14Å; E19-K23 PolarHBondContact O-N 2.93Å; E19-K23 IonicContact OE1-NZ 2.79Å; L20-K23 PolarHBondContact O-N 3.07Å; L20-K23 VanDerWaalsContact O-N 3.14Å; K21-K23 VanDerWaalsContact C-N 3.33Å; K21-K23 PolarHBondContact O-N 2.93Å; K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.3Å; K23-A27 PolarHBondContact O-N 3.14Å |
| 24 | V | 86.5 | Confident | 85.3 | Confident | 85 Ų | 85 | 107.8 Ų | 107.8 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 174 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L20 K21 K26 A27 D28 | L20-V24 WeakPolarHBondContact O-CG2 3.31Å; L20-V24 PolarHBondContact O-N 2.99Å; K21-V24 PolarHBondContact O-N 3.01Å; V24-K26 PolarHBondContact O-N 2.84Å; V24-A27 CarbonylContact O-C 3.58Å; V24-A27 WeakPolarHBondContact O-CB 3.33Å; V24-A27 PolarHBondContact O-N 3.44Å; V24-D28 WeakPolarHBondContact O-CB 3.46Å; V24-D28 PolarHBondContact O-N 3.19Å |
| 25 | E | 86.9 | Confident | 86.1 | Confident | 122 Ų | 122 | 105.7 Ų | 105.7 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.3 | -46.9 | 175.8 | -174.4 | 177.2 | -161.5 | 0 | 0 | 111.8 | K21 A27 D28 D29 | K21-E25 WeakPolarHBondContact O-CB 3.41Å; K21-E25 PolarHBondContact O-N 3.41Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 3.44Å; E25-D28 PolarHBondContact O-N 3.1Å; E25-D29 WeakPolarHBondContact O-CB 3.34Å; E25-D29 VanDerWaalsContact O-CG 3.32Å; E25-D29 PolarHBondContact O-N 3.28Å |
| 26 | K | 89.2 | Confident | 86.7 | Confident | 113 Ų | 113 | 104.4 Ų | 104.4 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -36 | 174.4 | -76.6 | -178.5 | 176.1 | -166.2 | 0 | 113.6 | R22 V24 A30 | R22-K26 WeakPolarHBondContact O-CB 3.29Å; R22-K26 VanDerWaalsContact O-CG 3.29Å; R22-K26 WeakPolarHBondContact O-CG 3.49Å; R22-K26 PolarHBondContact O-N 2.88Å; V24-K26 PolarHBondContact O-N 2.84Å; K26-A30 VanDerWaalsContact O-CB 3.31Å; K26-A30 WeakPolarHBondContact O-CB 3.34Å; K26-A30 PolarHBondContact O-N 3.33Å |
| 27 | A | 87.9 | Confident | 87.3 | Confident | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K23 V24 E25 A30 K31 | K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.3Å; K23-A27 PolarHBondContact O-N 3.14Å; V24-A27 CarbonylContact O-C 3.58Å; V24-A27 WeakPolarHBondContact O-CB 3.33Å; V24-A27 PolarHBondContact O-N 3.44Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 3.44Å; A27-A30 PolarHBondContact O-N 2.83Å; A27-K31 VanDerWaalsContact O-CB 3.27Å; A27-K31 WeakPolarHBondContact O-CB 3.37Å; A27-K31 PolarHBondContact O-N 3.39Å |
| 28 | D | 87.1 | Confident | 88.1 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 174.4 | -74.3 | -27.9 | 0 | 0 | 0 | 111.1 | V24 E25 A30 K31 A32 | V24-D28 WeakPolarHBondContact O-CB 3.46Å; V24-D28 PolarHBondContact O-N 3.19Å; E25-D28 PolarHBondContact O-N 3.1Å; D28-A30 PolarHBondContact O-N 3.48Å; D28-K31 PolarHBondContact O-N 2.86Å; D28-A32 WeakPolarHBondContact O-CB 3.27Å; D28-A32 PolarHBondContact O-N 3.38Å |
| 29 | D | 89.3 | Confident | 88.6 | Confident | 90 Ų | 90 | 101.5 Ų | 101.5 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 172.7 | -74 | -18.9 | 0 | 0 | 0 | 112.4 | E25 R33 | E25-D29 WeakPolarHBondContact O-CB 3.34Å; E25-D29 VanDerWaalsContact O-CG 3.32Å; E25-D29 PolarHBondContact O-N 3.28Å; D29-R33 WeakPolarHBondContact O-CG 3.46Å; D29-R33 PolarHBondContact O-N 2.81Å; D29-R33 VanDerWaalsContact O-N 3.1Å; D29-R33 PolarHBondContact O-NE 3.28Å |
| 30 | A | 90.8 | Very high | 89 | Confident | 35 Ų | 35 | 102.9 Ų | 102.9 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K26 A27 D28 R33 L34 | K26-A30 VanDerWaalsContact O-CB 3.31Å; K26-A30 WeakPolarHBondContact O-CB 3.34Å; K26-A30 PolarHBondContact O-N 3.33Å; A27-A30 PolarHBondContact O-N 2.83Å; D28-A30 PolarHBondContact O-N 3.48Å; A30-R33 PolarHBondContact O-N 2.78Å; A30-L34 WeakPolarHBondContact O-CG 3.49Å; A30-L34 PolarHBondContact O-N 2.84Å |
| 31 | K | 89.8 | Confident | 89.6 | Confident | 137 Ų | 137 | 103.7 Ų | 103.7 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 175.9 | -176.5 | -177.8 | 176.6 | -174 | 0 | 111.4 | A27 D28 L34 V35 | A27-K31 VanDerWaalsContact O-CB 3.27Å; A27-K31 WeakPolarHBondContact O-CB 3.37Å; A27-K31 PolarHBondContact O-N 3.39Å; D28-K31 PolarHBondContact O-N 2.86Å; K31-L34 PolarHBondContact O-N 3.3Å; K31-V35 VanDerWaalsContact O-CG2 3.26Å; K31-V35 WeakPolarHBondContact O-CG2 3.42Å; K31-V35 PolarHBondContact O-N 3.45Å |
| 32 | A | 90 | Very high | 90 | Very high | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D28 V35 L36 | D28-A32 WeakPolarHBondContact O-CB 3.27Å; D28-A32 PolarHBondContact O-N 3.38Å; A32-V35 PolarHBondContact O-N 2.91Å; A32-L36 WeakPolarHBondContact O-CG 3.5Å; A32-L36 PolarHBondContact O-N 3.41Å |
| 33 | R | 92.6 | Very high | 90.4 | Very high | 163 Ų | 163 | 100.6 Ų | 100.6 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.9 | -47.2 | 174.2 | -78 | -179.1 | -70.5 | 173.5 | 0.2 | 112.7 | D29 A30 V35 L36 E37 | D29-R33 WeakPolarHBondContact O-CG 3.46Å; D29-R33 PolarHBondContact O-N 2.81Å; D29-R33 VanDerWaalsContact O-N 3.1Å; D29-R33 PolarHBondContact O-NE 3.28Å; A30-R33 PolarHBondContact O-N 2.78Å; R33-V35 VanDerWaalsContact C-N 3.28Å; R33-V35 PolarHBondContact O-N 3.12Å; R33-L36 PolarHBondContact O-N 2.95Å; R33-E37 WeakPolarHBondContact O-CB 3.25Å; R33-E37 PolarHBondContact O-N 3.38Å |
| 34 | L | 92.4 | Very high | 90.7 | Very high | 110 Ų | 110 | 100.9 Ų | 100.9 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -33.6 | 177.9 | -73.1 | 171.1 | 0 | 0 | 0 | 112.6 | A30 K31 K38 | A30-L34 WeakPolarHBondContact O-CG 3.49Å; A30-L34 PolarHBondContact O-N 2.84Å; K31-L34 PolarHBondContact O-N 3.3Å; L34-K38 VanDerWaalsContact O-CB 3.25Å; L34-K38 WeakPolarHBondContact O-CB 3.46Å; L34-K38 PolarHBondContact O-N 2.95Å |
| 35 | V | 91.6 | Very high | 91 | Very high | 76 Ų | 76 | 103.4 Ų | 103.4 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | K31 A32 R33 L39 | K31-V35 VanDerWaalsContact O-CG2 3.26Å; K31-V35 WeakPolarHBondContact O-CG2 3.42Å; K31-V35 PolarHBondContact O-N 3.45Å; A32-V35 PolarHBondContact O-N 2.91Å; R33-V35 VanDerWaalsContact C-N 3.28Å; R33-V35 PolarHBondContact O-N 3.12Å; V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 WeakPolarHBondContact O-CB 3.24Å; V35-L39 VanDerWaalsContact O-CG 3.27Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å; V35-L39 PolarHBondContact O-N 2.85Å |
| 36 | L | 90.9 | Very high | 91.3 | Very high | 102 Ų | 102 | 102 Ų | 102 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 175.3 | -70.9 | 171.6 | 0 | 0 | 0 | 111.5 | A32 R33 K38 L39 E40 | A32-L36 WeakPolarHBondContact O-CG 3.5Å; A32-L36 PolarHBondContact O-N 3.41Å; R33-L36 PolarHBondContact O-N 2.95Å; L36-K38 VanDerWaalsContact C-N 3.34Å; L36-K38 PolarHBondContact O-N 2.91Å; L36-L39 PolarHBondContact O-N 3.19Å; L36-L39 VanDerWaalsContact O-N 3.12Å; L36-E40 WeakPolarHBondContact O-CG 3.45Å; L36-E40 PolarHBondContact O-N 3.04Å |
| 37 | E | 92 | Very high | 91.4 | Very high | 104 Ų | 104 | 100.5 Ų | 100.5 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 177.3 | -175.9 | 173.9 | -158.7 | 0 | 0 | 111.7 | R33 L39 E40 E41 | R33-E37 WeakPolarHBondContact O-CB 3.25Å; R33-E37 PolarHBondContact O-N 3.38Å; E37-L39 PolarHBondContact O-N 2.93Å; E37-E40 PolarHBondContact O-N 3.32Å; E37-E41 WeakPolarHBondContact O-CB 3.36Å; E37-E41 WeakPolarHBondContact O-CG 3.32Å; E37-E41 PolarHBondContact O-N 3.36Å |
| 38 | K | 93.5 | Very high | 91.6 | Very high | 125 Ų | 125 | 100.5 Ų | 100.5 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.4 | -172.4 | -159.7 | 169.6 | -161.8 | 0 | 112 | L34 L36 E40 E41 D42 | L34-K38 VanDerWaalsContact O-CB 3.25Å; L34-K38 WeakPolarHBondContact O-CB 3.46Å; L34-K38 PolarHBondContact O-N 2.95Å; L36-K38 VanDerWaalsContact C-N 3.34Å; L36-K38 PolarHBondContact O-N 2.91Å; K38-E40 VanDerWaalsContact C-N 3.35Å; K38-E41 PolarHBondContact O-N 2.88Å; K38-D42 VanDerWaalsContact CE-OD2 3.32Å; K38-D42 WeakPolarHBondContact CE-OD2 3.34Å; K38-D42 IonicContact NZ-OD2 3.14Å; K38-D42 WeakPolarHBondContact O-CB 3.26Å; K38-D42 PolarHBondContact O-N 3.38Å |
| 39 | L | 92.1 | Very high | 91.9 | Very high | 103 Ų | 103 | 100.3 Ų | 100.3 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 178.2 | -74.5 | 170.9 | 0 | 0 | 0 | 111.2 | V35 L36 E37 D42 E43 | V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 WeakPolarHBondContact O-CB 3.24Å; V35-L39 VanDerWaalsContact O-CG 3.27Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å; V35-L39 PolarHBondContact O-N 2.85Å; L36-L39 PolarHBondContact O-N 3.19Å; L36-L39 VanDerWaalsContact O-N 3.12Å; E37-L39 PolarHBondContact O-N 2.93Å; L39-D42 PolarHBondContact O-N 3.35Å; L39-E43 WeakPolarHBondContact O-CB 3.42Å; L39-E43 PolarHBondContact O-N 3.41Å |
| 40 | E | 91.8 | Very high | 92 | Very high | 121 Ų | 121 | 99.7 Ų | 99.7 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 173.8 | -70.9 | 173.3 | -170.2 | 0 | 0 | 111.3 | L36 E37 K38 E43 L44 | L36-E40 WeakPolarHBondContact O-CG 3.45Å; L36-E40 PolarHBondContact O-N 3.04Å; E37-E40 PolarHBondContact O-N 3.32Å; K38-E40 VanDerWaalsContact C-N 3.35Å; E40-E43 PolarHBondContact O-N 3.4Å; E40-L44 WeakPolarHBondContact O-CB 3.27Å; E40-L44 VanDerWaalsContact O-CG 3.24Å; E40-L44 WeakPolarHBondContact O-CG 3.5Å; E40-L44 PolarHBondContact O-N 3.39Å |
| 41 | E | 91.5 | Very high | 92.2 | Very high | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 175.3 | -77.3 | -172 | 164.2 | 0 | 0 | 112.9 | E37 K38 E43 L44 K45 | E37-E41 WeakPolarHBondContact O-CB 3.36Å; E37-E41 WeakPolarHBondContact O-CG 3.32Å; E37-E41 PolarHBondContact O-N 3.36Å; K38-E41 PolarHBondContact O-N 2.88Å; E41-E43 VanDerWaalsContact C-N 3.34Å; E41-L44 PolarHBondContact O-N 2.94Å; E41-K45 VanDerWaalsContact O-CB 3.24Å; E41-K45 WeakPolarHBondContact O-CB 3.39Å; E41-K45 PolarHBondContact O-N 3.45Å |
| 42 | D | 91.7 | Very high | 92.3 | Very high | 68 Ų | 68 | 103.4 Ų | 103.4 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 177.1 | -80.1 | -27.2 | 0 | 0 | 0 | 110.7 | K38 L39 K45 E46 | K38-D42 VanDerWaalsContact CE-OD2 3.32Å; K38-D42 WeakPolarHBondContact CE-OD2 3.34Å; K38-D42 IonicContact NZ-OD2 3.14Å; K38-D42 WeakPolarHBondContact O-CB 3.26Å; K38-D42 PolarHBondContact O-N 3.38Å; L39-D42 PolarHBondContact O-N 3.35Å; D42-K45 PolarHBondContact O-N 2.84Å; D42-E46 PolarHBondContact O-N 2.91Å |
| 43 | E | 93.6 | Very high | 92.4 | Very high | 126 Ų | 126 | 106.4 Ų | 106.4 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -46.7 | 173.9 | -173.6 | 175.8 | -177.3 | 0 | 0 | 111.6 | L39 E40 E41 K45 E46 N47 | L39-E43 WeakPolarHBondContact O-CB 3.42Å; L39-E43 PolarHBondContact O-N 3.41Å; E40-E43 PolarHBondContact O-N 3.4Å; E41-E43 VanDerWaalsContact C-N 3.34Å; E43-K45 VanDerWaalsContact C-N 3.27Å; E43-K45 PolarHBondContact O-N 3.02Å; E43-E46 PolarHBondContact O-N 3.46Å; E43-N47 WeakPolarHBondContact O-CB 3.32Å; E43-N47 PolarHBondContact O-N 2.96Å; E43-N47 PolarHBondContact O-ND2 2.93Å |
| 44 | L | 93 | Very high | 92.5 | Very high | 119 Ų | 119 | 101.1 Ų | 101.1 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.5 | -38.4 | 174.5 | -73.3 | 173 | 0 | 0 | 0 | 111.8 | E40 E41 A48 | E40-L44 WeakPolarHBondContact O-CB 3.27Å; E40-L44 VanDerWaalsContact O-CG 3.24Å; E40-L44 WeakPolarHBondContact O-CG 3.5Å; E40-L44 PolarHBondContact O-N 3.39Å; E41-L44 PolarHBondContact O-N 2.94Å; L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.27Å; L44-A48 PolarHBondContact O-N 3.33Å |
| 45 | K | 93.3 | Very high | 92.5 | Very high | 137 Ų | 137 | 102.2 Ų | 102.2 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.5 | -44.7 | 178.4 | -178.5 | -177.6 | 175.3 | -174.5 | 0 | 112.4 | E41 D42 E43 A48 K49 | E41-K45 VanDerWaalsContact O-CB 3.24Å; E41-K45 WeakPolarHBondContact O-CB 3.39Å; E41-K45 PolarHBondContact O-N 3.45Å; D42-K45 PolarHBondContact O-N 2.84Å; E43-K45 VanDerWaalsContact C-N 3.27Å; E43-K45 PolarHBondContact O-N 3.02Å; K45-A48 PolarHBondContact O-N 2.89Å; K45-K49 VanDerWaalsContact O-CB 3.24Å; K45-K49 WeakPolarHBondContact O-CB 3.48Å; K45-K49 PolarHBondContact O-N 2.98Å |
| 46 | E | 92.7 | Very high | 92.6 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 175.6 | -75.9 | -61.2 | 139.9 | 0 | 0 | 111.4 | D42 E43 K49 T50 | D42-E46 PolarHBondContact O-N 2.91Å; E43-E46 PolarHBondContact O-N 3.46Å; E46-K49 PolarHBondContact O-N 2.87Å; E46-K49 IonicContact OE1-NZ 3.82Å; E46-K49 PolarHBondContact OE1-NZ 3.25Å; E46-K49 IonicContact OE2-NZ 2.67Å; E46-K49 PolarHBondContact OE2-NZ 2.84Å; E46-T50 WeakPolarHBondContact O-CG2 3.33Å; E46-T50 PolarHBondContact O-N 3.46Å; E46-T50 PolarHBondContact O-OG1 3.41Å; E46-T50 VanDerWaalsContact O-OG1 3.11Å |
| 47 | N | 92.7 | Very high | 92.7 | Very high | 82 Ų | 82 | 97.7 Ų | 97.7 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 171.9 | -72.2 | -18.5 | 0 | 0 | 0 | 111.5 | E43 K49 T50 E51 | E43-N47 WeakPolarHBondContact O-CB 3.32Å; E43-N47 PolarHBondContact O-N 2.96Å; E43-N47 PolarHBondContact O-ND2 2.93Å; N47-K49 VanDerWaalsContact C-N 3.29Å; N47-K49 PolarHBondContact O-N 2.86Å; N47-T50 PolarHBondContact O-N 3.27Å; N47-T50 PolarHBondContact O-OG1 3.32Å; N47-E51 WeakPolarHBondContact O-CG 3.24Å; N47-E51 PolarHBondContact O-N 3.36Å |
| 48 | A | 91.2 | Very high | 92.8 | Very high | 55 Ų | 55 | 99.8 Ų | 99.8 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L44 K45 M52 | L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.27Å; L44-A48 PolarHBondContact O-N 3.33Å; K45-A48 PolarHBondContact O-N 2.89Å; A48-M52 WeakPolarHBondContact O-CB 3.44Å; A48-M52 PolarHBondContact O-N 3.36Å |
| 49 | K | 92.9 | Very high | 92.7 | Very high | 86 Ų | 86 | 99.6 Ų | 99.6 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 177.8 | 178.8 | 178.5 | 158.5 | -142.7 | 0 | 112.3 | K45 E46 N47 M52 M53 | K45-K49 VanDerWaalsContact O-CB 3.24Å; K45-K49 WeakPolarHBondContact O-CB 3.48Å; K45-K49 PolarHBondContact O-N 2.98Å; E46-K49 PolarHBondContact O-N 2.87Å; E46-K49 IonicContact OE1-NZ 3.82Å; E46-K49 PolarHBondContact OE1-NZ 3.25Å; E46-K49 IonicContact OE2-NZ 2.67Å; E46-K49 PolarHBondContact OE2-NZ 2.84Å; N47-K49 VanDerWaalsContact C-N 3.29Å; N47-K49 PolarHBondContact O-N 2.86Å; K49-M52 PolarHBondContact O-N 2.84Å; K49-M53 HydrophobicContact CG-CE 4.27Å; K49-M53 WeakPolarHBondContact O-CG 3.39Å; K49-M53 PolarHBondContact O-N 3.43Å |
| 50 | T | 92.7 | Very high | 92.8 | Very high | 78 Ų | 78 | 100 Ų | 100 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 176 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | E46 N47 M53 A54 | E46-T50 WeakPolarHBondContact O-CG2 3.33Å; E46-T50 PolarHBondContact O-N 3.46Å; E46-T50 PolarHBondContact O-OG1 3.41Å; E46-T50 VanDerWaalsContact O-OG1 3.11Å; N47-T50 PolarHBondContact O-N 3.27Å; N47-T50 PolarHBondContact O-OG1 3.32Å; T50-M53 PolarHBondContact O-N 2.91Å; T50-A54 WeakPolarHBondContact O-CB 3.48Å; T50-A54 PolarHBondContact O-N 2.92Å |
| 51 | E | 93.9 | Very high | 92.7 | Very high | 125 Ų | 125 | 97 Ų | 97 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 172.3 | -74.7 | -173 | 175.5 | 0 | 0 | 112.3 | N47 M53 A54 Q55 | N47-E51 WeakPolarHBondContact O-CG 3.24Å; N47-E51 PolarHBondContact O-N 3.36Å; E51-M53 VanDerWaalsContact C-N 3.34Å; E51-M53 PolarHBondContact O-N 3.22Å; E51-A54 PolarHBondContact O-N 3.45Å; E51-Q55 WeakPolarHBondContact O-CB 3.42Å; E51-Q55 WeakPolarHBondContact O-CG 3.37Å; E51-Q55 PolarHBondContact O-N 3.01Å |
| 52 | M | 92.5 | Very high | 92.7 | Very high | 124 Ų | 124 | 95 Ų | 95 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -44.5 | 176.2 | -171.7 | -172.8 | 78.8 | 0 | 0 | 111.4 | A48 K49 Q55 A56 | A48-M52 WeakPolarHBondContact O-CB 3.44Å; A48-M52 PolarHBondContact O-N 3.36Å; K49-M52 PolarHBondContact O-N 2.84Å; M52-Q55 PolarHBondContact O-N 3.37Å; M52-A56 WeakPolarHBondContact O-CB 3.34Å; M52-A56 PolarHBondContact O-N 2.94Å |
| 53 | M | 92.9 | Very high | 92.8 | Very high | 117 Ų | 117 | 97.2 Ų | 97.2 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 175.7 | -72.6 | -177.9 | 177.1 | 0 | 0 | 112.1 | K49 T50 E51 A56 G57 | K49-M53 HydrophobicContact CG-CE 4.27Å; K49-M53 WeakPolarHBondContact O-CG 3.39Å; K49-M53 PolarHBondContact O-N 3.43Å; T50-M53 PolarHBondContact O-N 2.91Å; E51-M53 VanDerWaalsContact C-N 3.34Å; E51-M53 PolarHBondContact O-N 3.22Å; M53-A56 PolarHBondContact O-N 2.89Å; M53-G57 PolarHBondContact O-N 2.93Å |
| 54 | A | 94.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 97.1 Ų | 97.1 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T50 E51 K58 | T50-A54 WeakPolarHBondContact O-CB 3.48Å; T50-A54 PolarHBondContact O-N 2.92Å; E51-A54 PolarHBondContact O-N 3.45Å; A54-K58 WeakPolarHBondContact O-CG 3.38Å; A54-K58 PolarHBondContact O-N 3.32Å |
| 55 | Q | 92.5 | Very high | 92.8 | Very high | 132 Ų | 132 | 96.8 Ų | 96.8 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | 174.7 | -73.5 | -175.8 | 5 | 0 | 0 | 111.9 | E51 M52 G57 K58 Q59 | E51-Q55 WeakPolarHBondContact O-CB 3.42Å; E51-Q55 WeakPolarHBondContact O-CG 3.37Å; E51-Q55 PolarHBondContact O-N 3.01Å; M52-Q55 PolarHBondContact O-N 3.37Å; Q55-G57 VanDerWaalsContact C-N 3.34Å; Q55-G57 PolarHBondContact O-N 3.43Å; Q55-K58 PolarHBondContact O-N 3.11Å; Q55-Q59 WeakPolarHBondContact O-CB 3.44Å; Q55-Q59 PolarHBondContact O-N 2.91Å |
| 56 | A | 92.6 | Very high | 92.8 | Very high | 44 Ų | 44 | 96.9 Ų | 96.9 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M52 M53 K58 Q59 E60 | M52-A56 WeakPolarHBondContact O-CB 3.34Å; M52-A56 PolarHBondContact O-N 2.94Å; M53-A56 PolarHBondContact O-N 2.89Å; A56-K58 PolarHBondContact O-N 2.9Å; A56-Q59 PolarHBondContact O-N 3.04Å; A56-E60 PolarHBondContact O-N 2.85Å |
| 57 | G | 93.7 | Very high | 92.9 | Very high | 40 Ų | 40 | 96.4 Ų | 96.4 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M53 Q55 E60 S61 | M53-G57 PolarHBondContact O-N 2.93Å; Q55-G57 VanDerWaalsContact C-N 3.34Å; Q55-G57 PolarHBondContact O-N 3.43Å; G57-E60 PolarHBondContact O-N 3.38Å; G57-S61 PolarHBondContact O-N 2.9Å |
| 58 | K | 93.6 | Very high | 93 | Very high | 148 Ų | 148 | 97.8 Ų | 97.8 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 173.7 | -73.6 | 173.4 | -177.3 | 177.9 | 0 | 111.6 | A54 Q55 A56 E60 S61 C62 | A54-K58 WeakPolarHBondContact O-CG 3.38Å; A54-K58 PolarHBondContact O-N 3.32Å; Q55-K58 PolarHBondContact O-N 3.11Å; A56-K58 PolarHBondContact O-N 2.9Å; K58-E60 PolarHBondContact O-N 2.92Å; K58-S61 PolarHBondContact O-N 3.41Å; K58-C62 WeakPolarHBondContact O-CB 3.05Å; K58-C62 PolarHBondContact O-N 3.38Å; K58-C62 PolarHBondContact O-SG 2.94Å; K58-C62 VanDerWaalsContact O-SG 3.38Å |
| 59 | Q | 92.8 | Very high | 93.2 | Very high | 121 Ų | 121 | 99.2 Ų | 99.2 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | 177.9 | -178 | 177.3 | -6.3 | 0 | 0 | 111.8 | Q55 A56 C62 Q63 | Q55-Q59 WeakPolarHBondContact O-CB 3.44Å; Q55-Q59 PolarHBondContact O-N 2.91Å; A56-Q59 PolarHBondContact O-N 3.04Å; Q59-C62 PolarHBondContact O-N 3.46Å; Q59-Q63 WeakPolarHBondContact O-CB 3.26Å; Q59-Q63 PolarHBondContact O-N 3.5Å |
| 60 | E | 93.1 | Very high | 93.3 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.2 | -76 | -173.3 | -169.8 | 0 | 0 | 112.3 | A56 G57 K58 Q63 K64 | A56-E60 PolarHBondContact O-N 2.85Å; G57-E60 PolarHBondContact O-N 3.38Å; K58-E60 PolarHBondContact O-N 2.92Å; E60-Q63 PolarHBondContact O-N 3.47Å; E60-K64 WeakPolarHBondContact O-CG 3.5Å; E60-K64 PolarHBondContact O-N 3.05Å |
| 61 | S | 90.6 | Very high | 93.4 | Very high | 59 Ų | 59 | 102.1 Ų | 102.1 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 176.9 | -163.9 | 0 | 0 | 0 | 0 | 111.2 | G57 K58 Q63 K64 E65 | G57-S61 PolarHBondContact O-N 2.9Å; K58-S61 PolarHBondContact O-N 3.41Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 3.28Å; S61-K64 PolarHBondContact O-N 3.24Å; S61-E65 PolarHBondContact O-N 3.47Å |
| 62 | C | 91.3 | Very high | 93.5 | Very high | 77 Ų | 77 | 101.4 Ų | 101.4 | 52% | 0.52 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 177.3 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | K58 Q59 F66 | K58-C62 WeakPolarHBondContact O-CB 3.05Å; K58-C62 PolarHBondContact O-N 3.38Å; K58-C62 PolarHBondContact O-SG 2.94Å; K58-C62 VanDerWaalsContact O-SG 3.38Å; Q59-C62 PolarHBondContact O-N 3.46Å; C62-F66 VanDerWaalsContact O-CB 3.26Å; C62-F66 WeakPolarHBondContact O-CB 3.44Å; C62-F66 PolarHBondContact O-N 2.92Å |
| 63 | Q | 92.4 | Very high | 93.6 | Very high | 115 Ų | 115 | 99.3 Ų | 99.3 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.4 | -86 | -175.5 | -13.4 | 0 | 0 | 112.2 | Q59 E60 S61 F66 T67 | Q59-Q63 WeakPolarHBondContact O-CB 3.26Å; Q59-Q63 PolarHBondContact O-N 3.5Å; E60-Q63 PolarHBondContact O-N 3.47Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 3.28Å; Q63-F66 PolarHBondContact O-N 2.96Å; Q63-T67 WeakPolarHBondContact O-CB 3.33Å; Q63-T67 WeakPolarHBondContact O-CG2 3.41Å; Q63-T67 PolarHBondContact O-N 2.71Å; Q63-T67 PolarHBondContact O-OG1 3.24Å |
| 64 | K | 93.7 | Very high | 93.8 | Very high | 125 Ų | 125 | 99.6 Ų | 99.6 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.4 | -73.4 | 170.5 | -175.1 | 166.7 | 0 | 111.8 | E60 S61 T67 Q68 | E60-K64 WeakPolarHBondContact O-CG 3.5Å; E60-K64 PolarHBondContact O-N 3.05Å; S61-K64 PolarHBondContact O-N 3.24Å; K64-T67 WeakPolarHBondContact CA-OG1 3.28Å; K64-T67 PolarHBondContact O-N 3.37Å; K64-T67 PolarHBondContact O-OG1 3.35Å; K64-Q68 WeakPolarHBondContact O-CB 3.23Å; K64-Q68 VanDerWaalsContact O-CG 3.31Å; K64-Q68 WeakPolarHBondContact O-CG 3.17Å; K64-Q68 PolarHBondContact O-N 2.99Å |
| 65 | E | 94.4 | Very high | 93.8 | Very high | 111 Ų | 111 | 100.8 Ų | 100.8 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 175.8 | -72.2 | 174.6 | -176.1 | 0 | 0 | 111.5 | S61 T67 Q68 D69 | S61-E65 PolarHBondContact O-N 3.47Å; E65-T67 VanDerWaalsContact C-N 3.34Å; E65-T67 PolarHBondContact O-N 3.07Å; E65-Q68 PolarHBondContact O-N 2.9Å; E65-D69 PolarHBondContact O-N 3.45Å |
| 66 | F | 93.7 | Very high | 94 | Very high | 140 Ų | 140 | 100.1 Ų | 100.1 | 61% | 0.614 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 178.8 | -178.7 | -98.8 | 0 | 0 | 0 | 112.3 | C62 Q63 D69 L70 | C62-F66 VanDerWaalsContact O-CB 3.26Å; C62-F66 WeakPolarHBondContact O-CB 3.44Å; C62-F66 PolarHBondContact O-N 2.92Å; Q63-F66 PolarHBondContact O-N 2.96Å; F66-D69 PolarHBondContact O-N 3.08Å; F66-L70 HydrophobicContact CE1-CD1 3.81Å; F66-L70 HydrophobicContact CZ-CD1 4.03Å; F66-L70 VanDerWaalsContact O-CB 3.27Å; F66-L70 WeakPolarHBondContact O-CB 3.17Å; F66-L70 PolarHBondContact O-N 3.17Å |
| 67 | T | 93.7 | Very high | 94.2 | Very high | 82 Ų | 82 | 103.1 Ų | 103.1 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 177.9 | 43.8 | 0 | 0 | 0 | 0 | 112.3 | Q63 K64 E65 L70 E71 | Q63-T67 WeakPolarHBondContact O-CB 3.33Å; Q63-T67 WeakPolarHBondContact O-CG2 3.41Å; Q63-T67 PolarHBondContact O-N 2.71Å; Q63-T67 PolarHBondContact O-OG1 3.24Å; K64-T67 WeakPolarHBondContact CA-OG1 3.28Å; K64-T67 PolarHBondContact O-N 3.37Å; K64-T67 PolarHBondContact O-OG1 3.35Å; E65-T67 VanDerWaalsContact C-N 3.34Å; E65-T67 PolarHBondContact O-N 3.07Å; T67-L70 PolarHBondContact O-N 3.07Å; T67-E71 PolarHBondContact O-N 3.33Å |
| 68 | Q | 95.5 | Very high | 94.3 | Very high | 112 Ų | 112 | 105.8 Ų | 105.8 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.8 | -76.1 | 178.9 | 10.4 | 0 | 0 | 112.2 | K64 E65 E71 K72 | K64-Q68 WeakPolarHBondContact O-CB 3.23Å; K64-Q68 VanDerWaalsContact O-CG 3.31Å; K64-Q68 WeakPolarHBondContact O-CG 3.17Å; K64-Q68 PolarHBondContact O-N 2.99Å; E65-Q68 PolarHBondContact O-N 2.9Å; Q68-E71 PolarHBondContact O-N 3.37Å; Q68-K72 WeakPolarHBondContact O-CG 3.29Å; Q68-K72 PolarHBondContact O-N 2.91Å |
| 69 | D | 94.4 | Very high | 94.4 | Very high | 84 Ų | 84 | 105.5 Ų | 105.5 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.8 | -36.6 | -179.8 | -73.5 | -16.5 | 0 | 0 | 0 | 111.9 | E65 F66 E71 K72 V73 | E65-D69 PolarHBondContact O-N 3.45Å; F66-D69 PolarHBondContact O-N 3.08Å; D69-E71 VanDerWaalsContact C-N 3.3Å; D69-E71 PolarHBondContact O-N 2.77Å; D69-K72 PolarHBondContact O-N 2.99Å; D69-K72 IonicContact OD1-NZ 2.99Å; D69-K72 PolarHBondContact OD1-NZ 3.26Å; D69-V73 WeakPolarHBondContact O-CG2 3.27Å; D69-V73 PolarHBondContact O-N 3.29Å |
| 70 | L | 95 | Very high | 94.5 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 173.3 | -167.5 | 145.4 | 0 | 0 | 0 | 111.7 | F66 T67 K74 | F66-L70 HydrophobicContact CE1-CD1 3.81Å; F66-L70 HydrophobicContact CZ-CD1 4.03Å; F66-L70 VanDerWaalsContact O-CB 3.27Å; F66-L70 WeakPolarHBondContact O-CB 3.17Å; F66-L70 PolarHBondContact O-N 3.17Å; T67-L70 PolarHBondContact O-N 3.07Å; L70-K74 VanDerWaalsContact O-CB 3.31Å; L70-K74 WeakPolarHBondContact O-CB 3.38Å; L70-K74 PolarHBondContact O-N 2.86Å |
| 71 | E | 95 | Very high | 94.6 | Very high | 127 Ų | 127 | 103.7 Ų | 103.7 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.4 | -42.5 | 176.2 | -165.4 | 157.2 | -141.8 | 0 | 0 | 112 | T67 Q68 D69 V73 K74 D75 | T67-E71 PolarHBondContact O-N 3.33Å; Q68-E71 PolarHBondContact O-N 3.37Å; D69-E71 VanDerWaalsContact C-N 3.3Å; D69-E71 PolarHBondContact O-N 2.77Å; E71-V73 PolarHBondContact O-N 2.9Å; E71-K74 WeakPolarHBondContact O-CB 3.46Å; E71-K74 PolarHBondContact O-N 3.28Å; E71-D75 PolarHBondContact O-N 3.49Å |
| 72 | K | 96.2 | Very high | 94.9 | Very high | 111 Ų | 111 | 108.1 Ų | 108.1 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 173 | -69.2 | 172.2 | -162 | 155.8 | 0 | 112 | Q68 D69 K74 D75 E76 | Q68-K72 WeakPolarHBondContact O-CG 3.29Å; Q68-K72 PolarHBondContact O-N 2.91Å; D69-K72 PolarHBondContact O-N 2.99Å; D69-K72 IonicContact OD1-NZ 2.99Å; D69-K72 PolarHBondContact OD1-NZ 3.26Å; K72-K74 VanDerWaalsContact C-N 3.31Å; K72-K74 PolarHBondContact O-N 2.86Å; K72-D75 PolarHBondContact O-N 3.4Å; K72-E76 WeakPolarHBondContact O-CG 3.28Å; K72-E76 PolarHBondContact O-N 2.96Å |
| 73 | V | 95.3 | Very high | 95.1 | Very high | 79 Ų | 79 | 109.6 Ų | 109.6 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 178.8 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | D69 E71 D75 E76 I77 | D69-V73 WeakPolarHBondContact O-CG2 3.27Å; D69-V73 PolarHBondContact O-N 3.29Å; E71-V73 PolarHBondContact O-N 2.9Å; V73-D75 VanDerWaalsContact C-N 3.35Å; V73-D75 PolarHBondContact O-N 2.97Å; V73-E76 PolarHBondContact O-N 2.86Å; V73-I77 HydrophobicContact CG1-CD1 3.87Å; V73-I77 HydrophobicContact CG1-CG1 4.43Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 2.9Å |
| 74 | K | 95.8 | Very high | 95.2 | Very high | 123 Ų | 123 | 111 Ų | 111 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.4 | -171.2 | 179.8 | 179.3 | -175.5 | 0 | 111.8 | L70 E71 K72 I77 Q78 | L70-K74 VanDerWaalsContact O-CB 3.31Å; L70-K74 WeakPolarHBondContact O-CB 3.38Å; L70-K74 PolarHBondContact O-N 2.86Å; E71-K74 WeakPolarHBondContact O-CB 3.46Å; E71-K74 PolarHBondContact O-N 3.28Å; K72-K74 VanDerWaalsContact C-N 3.31Å; K72-K74 PolarHBondContact O-N 2.86Å; K74-I77 PolarHBondContact O-N 3.3Å; K74-Q78 WeakPolarHBondContact O-CG 3.47Å; K74-Q78 PolarHBondContact O-N 2.96Å |
| 75 | D | 95.8 | Very high | 95.4 | Very high | 78 Ų | 78 | 111.7 Ų | 111.7 | 42% | 0.417 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 175.8 | -81.9 | -6.1 | 0 | 0 | 0 | 112.4 | E71 K72 V73 Q78 K79 | E71-D75 PolarHBondContact O-N 3.49Å; K72-D75 PolarHBondContact O-N 3.4Å; V73-D75 VanDerWaalsContact C-N 3.35Å; V73-D75 PolarHBondContact O-N 2.97Å; D75-Q78 PolarHBondContact O-N 3.34Å; D75-K79 WeakPolarHBondContact O-CB 3.46Å; D75-K79 VanDerWaalsContact O-CG 3.3Å; D75-K79 WeakPolarHBondContact O-CG 3.47Å; D75-K79 PolarHBondContact O-N 3.18Å |
| 76 | E | 96.1 | Very high | 95.5 | Very high | 118 Ų | 118 | 109.2 Ų | 109.2 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 174.8 | -75 | -179.1 | -178.1 | 0 | 0 | 112 | K72 V73 Q78 K79 L80 | K72-E76 WeakPolarHBondContact O-CG 3.28Å; K72-E76 PolarHBondContact O-N 2.96Å; V73-E76 PolarHBondContact O-N 2.86Å; E76-Q78 VanDerWaalsContact C-N 3.29Å; E76-Q78 PolarHBondContact O-N 3.43Å; E76-K79 PolarHBondContact O-N 3.13Å; E76-L80 WeakPolarHBondContact O-CB 3.31Å; E76-L80 WeakPolarHBondContact O-CG 3.27Å; E76-L80 PolarHBondContact O-N 2.97Å |
| 77 | I | 95.7 | Very high | 95.6 | Very high | 106 Ų | 106 | 106.4 Ų | 106.4 | 54% | 0.544 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 175.2 | -70.6 | 167.9 | 0 | 0 | 0 | 110.5 | V73 K74 S81 | V73-I77 HydrophobicContact CG1-CD1 3.87Å; V73-I77 HydrophobicContact CG1-CG1 4.43Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 2.9Å; K74-I77 PolarHBondContact O-N 3.3Å; I77-S81 VanDerWaalsContact O-CB 3.22Å; I77-S81 WeakPolarHBondContact O-CB 3.41Å; I77-S81 PolarHBondContact O-N 3.45Å |
| 78 | Q | 95.6 | Very high | 95.7 | Very high | 96 Ų | 96 | 106.2 Ų | 106.2 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176.9 | -74.2 | -172.7 | 10.7 | 0 | 0 | 112.5 | K74 D75 E76 S81 K82 | K74-Q78 WeakPolarHBondContact O-CG 3.47Å; K74-Q78 PolarHBondContact O-N 2.96Å; D75-Q78 PolarHBondContact O-N 3.34Å; E76-Q78 VanDerWaalsContact C-N 3.29Å; E76-Q78 PolarHBondContact O-N 3.43Å; Q78-S81 PolarHBondContact O-N 2.93Å; Q78-K82 WeakPolarHBondContact O-CG 3.39Å; Q78-K82 PolarHBondContact O-N 3.44Å |
| 79 | K | 96 | Very high | 95.8 | Very high | 143 Ų | 143 | 103.3 Ų | 103.3 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -47.7 | 176 | -74 | 169.8 | -175.5 | 169.9 | 0 | 111.1 | D75 E76 S81 K82 H83 | D75-K79 WeakPolarHBondContact O-CB 3.46Å; D75-K79 VanDerWaalsContact O-CG 3.3Å; D75-K79 WeakPolarHBondContact O-CG 3.47Å; D75-K79 PolarHBondContact O-N 3.18Å; E76-K79 PolarHBondContact O-N 3.13Å; K79-S81 PolarHBondContact O-N 2.81Å; K79-K82 PolarHBondContact O-N 3.23Å; K79-H83 WeakPolarHBondContact O-CB 3.45Å; K79-H83 PolarHBondContact O-N 2.93Å |
| 80 | L | 95.7 | Very high | 95.8 | Very high | 117 Ų | 117 | 104.3 Ų | 104.3 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 177.4 | -73.2 | 172.8 | 0 | 0 | 0 | 112 | E76 H83 K84 | E76-L80 WeakPolarHBondContact O-CB 3.31Å; E76-L80 WeakPolarHBondContact O-CG 3.27Å; E76-L80 PolarHBondContact O-N 2.97Å; L80-H83 PolarHBondContact O-N 3.03Å; L80-K84 VanDerWaalsContact O-CB 3.31Å; L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 PolarHBondContact O-N 3.28Å |
| 81 | S | 94.9 | Very high | 95.9 | Very high | 77 Ų | 77 | 103.6 Ų | 103.6 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.2 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | I77 Q78 K79 K84 K85 | I77-S81 VanDerWaalsContact O-CB 3.22Å; I77-S81 WeakPolarHBondContact O-CB 3.41Å; I77-S81 PolarHBondContact O-N 3.45Å; Q78-S81 PolarHBondContact O-N 2.93Å; K79-S81 PolarHBondContact O-N 2.81Å; S81-K84 PolarHBondContact O-N 3.23Å; S81-K85 PolarHBondContact O-N 3.04Å |
| 82 | K | 96.1 | Very high | 95.9 | Very high | 152 Ų | 152 | 105.4 Ų | 105.4 | 66% | 0.661 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -45.8 | 173.9 | -75.4 | 176.3 | -179.3 | 174.7 | 0 | 111.5 | Q78 K79 K85 D86 | Q78-K82 WeakPolarHBondContact O-CG 3.39Å; Q78-K82 PolarHBondContact O-N 3.44Å; K79-K82 PolarHBondContact O-N 3.23Å; K82-K85 PolarHBondContact O-N 3.48Å; K82-D86 PolarHBondContact O-N 2.99Å |
| 83 | H | 95.8 | Very high | 95.9 | Very high | 108 Ų | 108 | 106.8 Ų | 106.8 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 179.4 | -168.4 | 57.7 | 0 | 0 | 0 | 112.3 | K79 L80 K85 D86 I87 | K79-H83 WeakPolarHBondContact O-CB 3.45Å; K79-H83 PolarHBondContact O-N 2.93Å; L80-H83 PolarHBondContact O-N 3.03Å; H83-K85 VanDerWaalsContact C-N 3.3Å; H83-K85 PolarHBondContact O-N 3.37Å; H83-D86 PolarHBondContact O-N 2.93Å; H83-I87 WeakPolarHBondContact NE2-CD1 3.36Å; H83-I87 WeakPolarHBondContact O-CG1 3.4Å; H83-I87 PolarHBondContact O-N 2.77Å |
| 84 | K | 95.6 | Very high | 95.9 | Very high | 144 Ų | 144 | 106.7 Ų | 106.7 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.1 | -43.4 | 173.8 | -179.8 | 179.2 | 178.1 | 177.2 | 0 | 111.5 | L80 S81 L88 | L80-K84 VanDerWaalsContact O-CB 3.31Å; L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 PolarHBondContact O-N 3.28Å; S81-K84 PolarHBondContact O-N 3.23Å; K84-L88 HydrophobicContact CG-CD1 4.22Å; K84-L88 WeakPolarHBondContact O-CB 3.2Å; K84-L88 VanDerWaalsContact O-CG 3.3Å; K84-L88 WeakPolarHBondContact O-CG 3.45Å; K84-L88 PolarHBondContact O-N 2.98Å |
| 85 | K | 96.6 | Very high | 95.8 | Very high | 140 Ų | 140 | 107.1 Ų | 107.1 | 61% | 0.609 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -46.6 | 177.3 | -171 | 177.6 | 178.3 | 179.4 | 0 | 111.8 | S81 K82 H83 I87 L88 D89 | S81-K85 PolarHBondContact O-N 3.04Å; K82-K85 PolarHBondContact O-N 3.48Å; H83-K85 VanDerWaalsContact C-N 3.3Å; H83-K85 PolarHBondContact O-N 3.37Å; K85-I87 PolarHBondContact O-N 3.49Å; K85-L88 PolarHBondContact O-N 2.82Å; K85-D89 PolarHBondContact O-N 2.77Å |
| 86 | D | 96.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 106.5 Ų | 106.5 | 31% | 0.31 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 177.5 | 180 | 54.9 | 0 | 0 | 0 | 112.3 | K82 H83 L88 D89 K90 | K82-D86 PolarHBondContact O-N 2.99Å; H83-D86 PolarHBondContact O-N 2.93Å; D86-L88 PolarHBondContact O-N 3.05Å; D86-D89 PolarHBondContact O-N 3.23Å; D86-K90 WeakPolarHBondContact O-CB 3.27Å; D86-K90 WeakPolarHBondContact O-CG 3.49Å; D86-K90 PolarHBondContact O-N 2.87Å; D86-K90 IonicContact OD1-NZ 2.89Å; D86-K90 WeakPolarHBondContact OD2-CE 3.26Å; D86-K90 IonicContact OD2-NZ 2.93Å; D86-K90 PolarHBondContact OD2-NZ 3.34Å |
| 87 | I | 96.7 | Very high | 95.8 | Very high | 81 Ų | 81 | 107.1 Ų | 107.1 | 42% | 0.415 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 174.5 | -69.8 | 171.8 | 0 | 0 | 0 | 110.9 | H83 K85 D89 K90 L91 | H83-I87 WeakPolarHBondContact NE2-CD1 3.36Å; H83-I87 WeakPolarHBondContact O-CG1 3.4Å; H83-I87 PolarHBondContact O-N 2.77Å; K85-I87 PolarHBondContact O-N 3.49Å; I87-D89 VanDerWaalsContact C-N 3.32Å; I87-D89 PolarHBondContact O-N 2.92Å; I87-K90 PolarHBondContact O-N 3.2Å; I87-L91 WeakPolarHBondContact O-CB 3.48Å; I87-L91 PolarHBondContact O-N 3Å |
| 88 | L | 96.2 | Very high | 95.7 | Very high | 79 Ų | 79 | 106.5 Ų | 106.5 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 178.3 | -75.6 | 170.7 | 0 | 0 | 0 | 112 | K84 K85 D86 L91 R92 | K84-L88 HydrophobicContact CG-CD1 4.22Å; K84-L88 WeakPolarHBondContact O-CB 3.2Å; K84-L88 VanDerWaalsContact O-CG 3.3Å; K84-L88 WeakPolarHBondContact O-CG 3.45Å; K84-L88 PolarHBondContact O-N 2.98Å; K85-L88 PolarHBondContact O-N 2.82Å; D86-L88 PolarHBondContact O-N 3.05Å; L88-L91 PolarHBondContact O-N 3.32Å; L88-R92 WeakPolarHBondContact O-CG 3.37Å; L88-R92 PolarHBondContact O-N 2.99Å |
| 89 | D | 96.1 | Very high | 95.6 | Very high | 51 Ų | 51 | 106.5 Ų | 106.5 | 27% | 0.273 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.6 | -35.7 | 178 | -70.6 | -24.6 | 0 | 0 | 0 | 112.1 | K85 D86 I87 R92 R93 | K85-D89 PolarHBondContact O-N 2.77Å; D86-D89 PolarHBondContact O-N 3.23Å; I87-D89 VanDerWaalsContact C-N 3.32Å; I87-D89 PolarHBondContact O-N 2.92Å; D89-R92 IonicContact OD1-NH1 2.94Å; D89-R92 PolarHBondContact OD1-NH1 3.47Å; D89-R93 WeakPolarHBondContact O-CG 3.41Å; D89-R93 PolarHBondContact O-N 2.87Å; D89-R93 PolarHBondContact O-NE 3.41Å |
| 90 | K | 96 | Very high | 95.5 | Very high | 104 Ų | 104 | 102.3 Ų | 102.3 | 45% | 0.452 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 168.2 | -75.9 | 170.3 | 175.4 | 164.7 | 0 | 111.3 | D86 I87 R92 R93 C94 | D86-K90 WeakPolarHBondContact O-CB 3.27Å; D86-K90 WeakPolarHBondContact O-CG 3.49Å; D86-K90 PolarHBondContact O-N 2.87Å; D86-K90 IonicContact OD1-NZ 2.89Å; D86-K90 WeakPolarHBondContact OD2-CE 3.26Å; D86-K90 IonicContact OD2-NZ 2.93Å; D86-K90 PolarHBondContact OD2-NZ 3.34Å; I87-K90 PolarHBondContact O-N 3.2Å; K90-R92 PolarHBondContact O-N 2.9Å; K90-R93 PolarHBondContact O-N 3.13Å; K90-C94 PolarHBondContact O-N 2.95Å; K90-C94 PolarHBondContact O-SG 3.43Å; K90-C94 VanDerWaalsContact O-SG 3.35Å |
| 91 | L | 95.8 | Very high | 95.3 | Very high | 83 Ų | 83 | 102.9 Ų | 102.9 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 179.5 | -173.4 | 141.4 | 0 | 0 | 0 | 112.1 | I87 L88 K95 | I87-L91 WeakPolarHBondContact O-CB 3.48Å; I87-L91 PolarHBondContact O-N 3Å; L88-L91 PolarHBondContact O-N 3.32Å; L91-K95 HydrophobicContact CD2-CD 3.87Å; L91-K95 HydrophobicContact CD2-CG 4.45Å; L91-K95 WeakPolarHBondContact O-CB 3.44Å; L91-K95 WeakPolarHBondContact O-CG 3.33Å; L91-K95 PolarHBondContact O-N 2.91Å |
| 92 | R | 96.5 | Very high | 95 | Very high | 165 Ų | 165 | 104.3 Ų | 104.3 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -46.9 | 172.3 | -75.9 | 174.5 | -178.3 | 153.8 | -6.8 | 112 | L88 D89 K90 K95 A96 | L88-R92 WeakPolarHBondContact O-CG 3.37Å; L88-R92 PolarHBondContact O-N 2.99Å; D89-R92 IonicContact OD1-NH1 2.94Å; D89-R92 PolarHBondContact OD1-NH1 3.47Å; K90-R92 PolarHBondContact O-N 2.9Å; R92-K95 PolarHBondContact O-N 2.9Å; R92-A96 PolarHBondContact O-N 3.07Å |
| 93 | R | 96.2 | Very high | 94.6 | Very high | 141 Ų | 141 | 100.6 Ų | 100.6 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 177.4 | -77.2 | 179.7 | -78 | -148.7 | 1.1 | 111.8 | D89 K90 K95 A96 Q97 | D89-R93 WeakPolarHBondContact O-CG 3.41Å; D89-R93 PolarHBondContact O-N 2.87Å; D89-R93 PolarHBondContact O-NE 3.41Å; K90-R93 PolarHBondContact O-N 3.13Å; R93-K95 PolarHBondContact O-N 2.84Å; R93-A96 PolarHBondContact O-N 2.99Å; R93-Q97 WeakPolarHBondContact O-CG 3.25Å; R93-Q97 PolarHBondContact O-N 3.31Å |
| 94 | C | 93.8 | Very high | 94.1 | Very high | 77 Ų | 77 | 100 Ų | 100 | 52% | 0.52 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 177 | -68.3 | 0 | 0 | 0 | 0 | 112 | K90 Q97 L98 | K90-C94 PolarHBondContact O-N 2.95Å; K90-C94 PolarHBondContact O-SG 3.43Å; K90-C94 VanDerWaalsContact O-SG 3.35Å; C94-Q97 PolarHBondContact O-N 3.39Å; C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 PolarHBondContact O-N 2.9Å |
| 95 | K | 95.2 | Very high | 93.4 | Very high | 132 Ų | 132 | 95.9 Ų | 95.9 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 174.7 | -80.1 | -176.2 | 176.1 | -179.8 | 0 | 112.2 | L91 R92 R93 L98 E99 | L91-K95 HydrophobicContact CD2-CD 3.87Å; L91-K95 HydrophobicContact CD2-CG 4.45Å; L91-K95 WeakPolarHBondContact O-CB 3.44Å; L91-K95 WeakPolarHBondContact O-CG 3.33Å; L91-K95 PolarHBondContact O-N 2.91Å; R92-K95 PolarHBondContact O-N 2.9Å; R93-K95 PolarHBondContact O-N 2.84Å; K95-L98 PolarHBondContact O-N 2.83Å; K95-E99 PolarHBondContact O-N 2.85Å |
| 96 | A | 95.3 | Very high | 92.4 | Very high | 64 Ų | 64 | 93 Ų | 93 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | R92 R93 E99 A100 | R92-A96 PolarHBondContact O-N 3.07Å; R93-A96 PolarHBondContact O-N 2.99Å; A96-E99 PolarHBondContact O-N 2.71Å; A96-A100 WeakPolarHBondContact O-CB 3.46Å; A96-A100 PolarHBondContact O-N 2.83Å |
| 97 | Q | 94.9 | Very high | 91.4 | Very high | 131 Ų | 131 | 97.5 Ų | 97.5 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 174.9 | -73.6 | 177 | -15.1 | 0 | 0 | 112.1 | R93 C94 A100 K101 | R93-Q97 WeakPolarHBondContact O-CG 3.25Å; R93-Q97 PolarHBondContact O-N 3.31Å; C94-Q97 PolarHBondContact O-N 3.39Å; Q97-A100 PolarHBondContact O-N 3.33Å; Q97-K101 WeakPolarHBondContact O-CB 3.27Å; Q97-K101 WeakPolarHBondContact O-CG 3.44Å; Q97-K101 PolarHBondContact O-N 3.46Å |
| 98 | L | 93.8 | Very high | 90.3 | Very high | 93 Ų | 93 | 98.1 Ų | 98.1 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177 | -179.5 | 64.4 | 0 | 0 | 0 | 111.4 | C94 K95 K101 K102 | C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 PolarHBondContact O-N 2.9Å; K95-L98 PolarHBondContact O-N 2.83Å; L98-K101 PolarHBondContact O-N 2.79Å; L98-K102 HydrophobicContact CG-CD 4.45Å; L98-K102 WeakPolarHBondContact O-CB 3.15Å; L98-K102 WeakPolarHBondContact O-CG 3.42Å; L98-K102 PolarHBondContact O-N 2.84Å |
| 99 | E | 93.8 | Very high | 89.2 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 177.3 | -69.8 | -53.9 | 134.3 | 0 | 0 | 112 | K95 A96 K101 K102 T103 | K95-E99 PolarHBondContact O-N 2.85Å; A96-E99 PolarHBondContact O-N 2.71Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3.45Å; E99-K102 PolarHBondContact O-N 3.4Å; E99-K102 IonicContact OE1-NZ 3.96Å; E99-K102 PolarHBondContact OE1-NZ 3.38Å; E99-T103 VanDerWaalsContact O-CG2 3.31Å; E99-T103 WeakPolarHBondContact O-CG2 3.49Å; E99-T103 PolarHBondContact O-N 3.02Å; E99-T103 PolarHBondContact O-OG1 2.93Å |
| 100 | A | 93.7 | Very high | 87.7 | Confident | 55 Ų | 55 | 106.6 Ų | 106.6 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A96 Q97 T103 E104 | A96-A100 WeakPolarHBondContact O-CB 3.46Å; A96-A100 PolarHBondContact O-N 2.83Å; Q97-A100 PolarHBondContact O-N 3.33Å; A100-T103 PolarHBondContact O-N 3.31Å; A100-T103 PolarHBondContact O-OG1 3.43Å; A100-E104 WeakPolarHBondContact O-CB 3.31Å; A100-E104 PolarHBondContact O-N 3.33Å |
| 101 | K | 91.4 | Very high | 86.3 | Confident | 130 Ų | 130 | 107.1 Ų | 107.1 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | 177.2 | -73.6 | -74.1 | 164.6 | -158.4 | 0 | 113 | Q97 L98 E99 E104 A105 | Q97-K101 WeakPolarHBondContact O-CB 3.27Å; Q97-K101 WeakPolarHBondContact O-CG 3.44Å; Q97-K101 PolarHBondContact O-N 3.46Å; L98-K101 PolarHBondContact O-N 2.79Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3.45Å; K101-E104 IonicContact NZ-OE2 3.88Å; K101-E104 PolarHBondContact NZ-OE2 2.9Å; K101-E104 PolarHBondContact O-N 2.95Å; K101-A105 VanDerWaalsContact O-CB 3.29Å; K101-A105 WeakPolarHBondContact O-CB 3.37Å; K101-A105 PolarHBondContact O-N 3.48Å |
| 102 | K | 89.3 | Confident | 84.8 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 173.9 | -77.1 | 178.1 | -176 | 170.4 | 0 | 112 | L98 E99 A105 S106 | L98-K102 HydrophobicContact CG-CD 4.45Å; L98-K102 WeakPolarHBondContact O-CB 3.15Å; L98-K102 WeakPolarHBondContact O-CG 3.42Å; L98-K102 PolarHBondContact O-N 2.84Å; E99-K102 PolarHBondContact O-N 3.4Å; E99-K102 IonicContact OE1-NZ 3.96Å; E99-K102 PolarHBondContact OE1-NZ 3.38Å; K102-A105 PolarHBondContact O-N 2.87Å; K102-S106 WeakPolarHBondContact O-CB 3.4Å; K102-S106 PolarHBondContact O-N 3.25Å |
| 103 | T | 87.3 | Confident | 83.4 | Confident | 73 Ų | 73 | 103.7 Ų | 103.7 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 177.7 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | E99 A100 S106 K107 | E99-T103 VanDerWaalsContact O-CG2 3.31Å; E99-T103 WeakPolarHBondContact O-CG2 3.49Å; E99-T103 PolarHBondContact O-N 3.02Å; E99-T103 PolarHBondContact O-OG1 2.93Å; A100-T103 PolarHBondContact O-N 3.31Å; A100-T103 PolarHBondContact O-OG1 3.43Å; T103-S106 PolarHBondContact O-N 3.43Å; T103-K107 WeakPolarHBondContact O-CB 3.39Å; T103-K107 VanDerWaalsContact O-CG 3.29Å; T103-K107 WeakPolarHBondContact O-CG 3.3Å; T103-K107 PolarHBondContact O-N 3.21Å |
| 104 | E | 86.2 | Confident | 81.8 | Confident | 97 Ų | 97 | 99.2 Ų | 99.2 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 172.1 | -170.9 | -178 | -172.8 | 0 | 0 | 111.3 | A100 K101 S106 K107 L108 | A100-E104 WeakPolarHBondContact O-CB 3.31Å; A100-E104 PolarHBondContact O-N 3.33Å; K101-E104 IonicContact NZ-OE2 3.88Å; K101-E104 PolarHBondContact NZ-OE2 2.9Å; K101-E104 PolarHBondContact O-N 2.95Å; E104-S106 VanDerWaalsContact C-N 3.32Å; E104-S106 PolarHBondContact O-N 3.46Å; E104-K107 WeakPolarHBondContact O-CB 3.22Å; E104-K107 PolarHBondContact O-N 2.92Å; E104-L108 WeakPolarHBondContact O-CB 3.46Å; E104-L108 PolarHBondContact O-N 3.15Å |
| 105 | A | 80.1 | Confident | 80.4 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K101 K102 L108 K109 | K101-A105 VanDerWaalsContact O-CB 3.29Å; K101-A105 WeakPolarHBondContact O-CB 3.37Å; K101-A105 PolarHBondContact O-N 3.48Å; K102-A105 PolarHBondContact O-N 2.87Å; A105-L108 PolarHBondContact O-N 3.46Å; A105-K109 VanDerWaalsContact O-CB 3.22Å; A105-K109 WeakPolarHBondContact O-CB 3.5Å; A105-K109 PolarHBondContact O-N 3.01Å |
| 106 | S | 75.7 | Confident | 78.9 | Confident | 79 Ų | 79 | 100.3 Ų | 100.3 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -43.4 | 176 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | K102 T103 E104 L108 K109 H110 | K102-S106 WeakPolarHBondContact O-CB 3.4Å; K102-S106 PolarHBondContact O-N 3.25Å; T103-S106 PolarHBondContact O-N 3.43Å; E104-S106 VanDerWaalsContact C-N 3.32Å; E104-S106 PolarHBondContact O-N 3.46Å; S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 2.93Å; S106-K109 PolarHBondContact O-N 2.99Å; S106-H110 WeakPolarHBondContact O-CB 3.39Å; S106-H110 PolarHBondContact O-N 3.28Å |
| 107 | K | 76.4 | Confident | 77.3 | Confident | 153 Ų | 153 | 106.1 Ų | 106.1 | 67% | 0.665 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.7 | -45.6 | 172.8 | -73.6 | 173.7 | -178.8 | -178.2 | 0 | 111.3 | T103 E104 H110 K111 | T103-K107 WeakPolarHBondContact O-CB 3.39Å; T103-K107 VanDerWaalsContact O-CG 3.29Å; T103-K107 WeakPolarHBondContact O-CG 3.3Å; T103-K107 PolarHBondContact O-N 3.21Å; E104-K107 WeakPolarHBondContact O-CB 3.22Å; E104-K107 PolarHBondContact O-N 2.92Å; K107-H110 PolarHBondContact O-N 3.16Å; K107-K111 WeakPolarHBondContact O-CB 3.41Å; K107-K111 PolarHBondContact O-N 2.87Å |
| 108 | L | 71.9 | Confident | 76.1 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 176.1 | -128.3 | 68.3 | 0 | 0 | 0 | 110.7 | E104 A105 S106 H110 K111 F112 | E104-L108 WeakPolarHBondContact O-CB 3.46Å; E104-L108 PolarHBondContact O-N 3.15Å; A105-L108 PolarHBondContact O-N 3.46Å; S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 2.93Å; L108-H110 VanDerWaalsContact C-N 3.3Å; L108-H110 PolarHBondContact O-N 2.92Å; L108-K111 PolarHBondContact O-N 2.93Å; L108-K111 VanDerWaalsContact O-N 3.13Å; L108-F112 HydrophobicContact CB-CD2 4.46Å; L108-F112 HydrophobicContact CD1-CE2 4.04Å; L108-F112 HydrophobicContact CG-CD2 3.89Å; L108-F112 HydrophobicContact CG-CE2 3.73Å; L108-F112 WeakPolarHBondContact O-CD2 3.3Å; L108-F112 PolarHBondContact O-N 2.9Å |
| 109 | K | 73.3 | Confident | 75.1 | Confident | 145 Ų | 145 | 105.1 Ų | 105.1 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.6 | -41.7 | 178 | -173.1 | 176.7 | -177.5 | 177.2 | 0 | 111.5 | A105 S106 K113 | A105-K109 VanDerWaalsContact O-CB 3.22Å; A105-K109 WeakPolarHBondContact O-CB 3.5Å; A105-K109 PolarHBondContact O-N 3.01Å; S106-K109 PolarHBondContact O-N 2.99Å; K109-K113 WeakPolarHBondContact O-CB 3.31Å; K109-K113 PolarHBondContact O-N 3Å |
| 110 | H | 66.3 | Low | 74.2 | Confident | 163 Ų | 163 | 110.4 Ų | 110.4 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.2 | -40.1 | 176.8 | -168.9 | 47.2 | 0 | 0 | 0 | 112.1 | S106 K107 L108 F112 | S106-H110 WeakPolarHBondContact O-CB 3.39Å; S106-H110 PolarHBondContact O-N 3.28Å; K107-H110 PolarHBondContact O-N 3.16Å; L108-H110 VanDerWaalsContact C-N 3.3Å; L108-H110 PolarHBondContact O-N 2.92Å; H110-F112 VanDerWaalsContact C-N 3.35Å; H110-F112 PolarHBondContact O-N 3.21Å |
| 111 | K | 66.5 | Low | 73.3 | Confident | 114 Ų | 114 | 112.2 Ų | 112.2 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.4 | -35.4 | 177.7 | -174.1 | 175.2 | 176.9 | -179.2 | 0 | 113.3 | K107 L108 T201 C306 | K107-K111 WeakPolarHBondContact O-CB 3.41Å; K107-K111 PolarHBondContact O-N 2.87Å; L108-K111 PolarHBondContact O-N 2.93Å; L108-K111 VanDerWaalsContact O-N 3.13Å; K111-T201 WeakPolarHBondContact CE-OG1 3.24Å; K111-C306 PolarHBondContact NZ-SG 2.77Å |
| 112 | F | 64 | Low | 72.8 | Confident | 70 Ų | 70 | 115.5 Ų | 115.5 | 31% | 0.307 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -107 | 1.1 | -174.4 | -64.9 | -73.2 | 0 | 0 | 0 | 114.2 | L108 H110 I114 T201 T304 | L108-F112 HydrophobicContact CB-CD2 4.46Å; L108-F112 HydrophobicContact CD1-CE2 4.04Å; L108-F112 HydrophobicContact CG-CD2 3.89Å; L108-F112 HydrophobicContact CG-CE2 3.73Å; L108-F112 WeakPolarHBondContact O-CD2 3.3Å; L108-F112 PolarHBondContact O-N 2.9Å; H110-F112 VanDerWaalsContact C-N 3.35Å; H110-F112 PolarHBondContact O-N 3.21Å; F112-I114 PolarHBondContact O-N 3.49Å; F112-I114 VanDerWaalsContact O-N 3.1Å; F112-T201 HydrophobicContact CD1-CG2 4.07Å; F112-T201 HydrophobicContact CE1-CG2 3.69Å; F112-T304 HydrophobicContact CD1-CG2 4.31Å; F112-T304 HydrophobicContact CE1-CG2 4.45Å |
| 113 | K | 66 | Low | 72.3 | Confident | 107 Ų | 107 | 114.6 Ų | 114.6 | 47% | 0.465 | 58% | 0.578 | S | S | . | * | trans | -80.8 | 93.7 | 174.4 | -168.9 | 170.9 | -165.9 | -171.7 | 0 | 109.5 | K109 Y115 | K109-K113 WeakPolarHBondContact O-CB 3.31Å; K109-K113 PolarHBondContact O-N 3Å; K113-Y115 HydrophobicContact CB-CE2 4.44Å; K113-Y115 HydrophobicContact CD-CD2 4.49Å; K113-Y115 HydrophobicContact CD-CE1 4.38Å; K113-Y115 HydrophobicContact CD-CE2 3.55Å; K113-Y115 WeakPolarHBondContact CD-OH 3.5Å; K113-Y115 WeakPolarHBondContact CE-OH 3.16Å; K113-Y115 HydrophobicContact CG-CD2 4.11Å; K113-Y115 HydrophobicContact CG-CE2 3.63Å; K113-Y115 PolarHBondContact NZ-OH 3.31Å; K113-Y115 PolarHBondContact O-N 2.99Å | ||
| 114 | I | 63.7 | Low | 71.9 | Confident | 47 Ų | 47 | 120.2 Ų | 120.2 | 24% | 0.241 | 60% | 0.596 | C | S | . | * | trans | -80.1 | 114 | 177.6 | -55.8 | 138.5 | 0 | 0 | 0 | 107.9 | F112 A116 V203 F302 | F112-I114 PolarHBondContact O-N 3.49Å; F112-I114 VanDerWaalsContact O-N 3.1Å; I114-A116 HydrophobicContact CG2-CB 4.02Å; I114-V203 HydrophobicContact CD1-CB 3.75Å; I114-V203 HydrophobicContact CD1-CG1 3.31Å; I114-V203 HydrophobicContact CD1-CG2 3.64Å; I114-V203 HydrophobicContact CG1-CB 4.29Å; I114-V203 HydrophobicContact CG1-CG1 4.35Å; I114-V203 HydrophobicContact CG1-CG2 3.93Å; I114-F302 HydrophobicContact CD1-CE2 3.63Å; I114-F302 HydrophobicContact CD1-CZ 3.86Å | ||
| 115 | Y | 64.5 | Low | 71.6 | Confident | 183 Ų | 183 | 123.9 Ų | 123.9 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | trans | -100.1 | 88.3 | 163.3 | -64.9 | -84.6 | 0 | 0 | 0 | 107.2 | K113 | K113-Y115 HydrophobicContact CB-CE2 4.44Å; K113-Y115 HydrophobicContact CD-CD2 4.49Å; K113-Y115 HydrophobicContact CD-CE1 4.38Å; K113-Y115 HydrophobicContact CD-CE2 3.55Å; K113-Y115 WeakPolarHBondContact CD-OH 3.5Å; K113-Y115 WeakPolarHBondContact CE-OH 3.16Å; K113-Y115 HydrophobicContact CG-CD2 4.11Å; K113-Y115 HydrophobicContact CG-CE2 3.63Å; K113-Y115 PolarHBondContact NZ-OH 3.31Å; K113-Y115 PolarHBondContact O-N 2.99Å | ||
| 116 | A | 62.1 | Low | 71.5 | Confident | 48 Ų | 48 | 129.2 Ų | 129.2 | 40% | 0.397 | 63% | 0.63 | S | S | . | * | trans | -90.4 | 113.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | I114 I118 | I114-A116 HydrophobicContact CG2-CB 4.02Å; A116-I118 PolarHBondContact O-N 2.89Å | ||
| 117 | Q | 63.5 | Low | 71.2 | Confident | 187 Ų | 187 | 129.7 Ų | 129.7 | 87% | 0.874 | 63% | 0.634 | S | S | * | * | trans | -76.6 | 112.3 | 164 | -171.6 | 172.4 | 10.4 | 0 | 0 | 107.1 | P119 | Q117-P119 WeakPolarHBondContact O-CD 3.3Š| ||
| 118 | I | 69.4 | Low | 70.8 | Confident | 111 Ų | 111 | 128.4 Ų | 128.4 | 57% | 0.569 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -76 | 116.8 | 177.8 | -55.8 | 175 | 0 | 0 | 0 | 107.1 | A116 I149 | A116-I118 PolarHBondContact O-N 2.89Å; I118-I149 HydrophobicContact CD1-CD1 3.48Å; I118-I149 VanDerWaalsContact CD1-CD1 3.48Å; I118-I149 HydrophobicContact CG1-CD1 3.72Å |
| 119 | P | 71.3 | Confident | 70.3 | Confident | 92 Ų | 92 | 128.7 Ų | 128.7 | 60% | 0.597 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 147.4 | 180 | 28.7 | -33.5 | 0 | 0 | 0 | 110.6 | Q117 T121 | Q117-P119 WeakPolarHBondContact O-CD 3.3Å; P119-T121 PolarHBondContact O-N 2.76Å; P119-T121 VanDerWaalsContact O-N 3.13Å; P119-T121 PolarHBondContact O-OG1 2.92Å; P119-T121 VanDerWaalsContact O-OG1 3.04Å |
| 120 | E | 75.4 | Confident | 69.6 | Low | 206 Ų | 206 | 131.7 Ų | 131.7 | 96% | 0.963 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 116.1 | 168 | -170.5 | 170.5 | -173.1 | 0 | 0 | 108.3 | ||
| 121 | T | 76.1 | Confident | 69 | Low | 94 Ų | 94 | 128.4 Ų | 128.4 | 58% | 0.577 | 63% | 0.627 | S | S | * | * | trans | -132.3 | 134.6 | -172.8 | -53.1 | 0 | 0 | 0 | 0 | 109 | P119 V123 | P119-T121 PolarHBondContact O-N 2.76Å; P119-T121 VanDerWaalsContact O-N 3.13Å; P119-T121 PolarHBondContact O-OG1 2.92Å; P119-T121 VanDerWaalsContact O-OG1 3.04Å; T121-V123 PolarHBondContact O-N 2.8Å | ||
| 122 | E | 79 | Confident | 68 | Low | 199 Ų | 199 | 132.1 Ų | 132.1 | 93% | 0.93 | 65% | 0.646 | S | S | * | * | trans | -68.9 | 126.9 | 172.4 | -66.2 | -174.1 | 173.9 | 0 | 0 | 110 | ||||
| 123 | V | 79.8 | Confident | 67 | Low | 88 Ų | 88 | 133.4 Ų | 133.4 | 53% | 0.533 | 66% | 0.656 | S | S | . | * | trans | -114.6 | 146.5 | -178.2 | -62.4 | 0 | 0 | 0 | 0 | 110 | T121 F147 | T121-V123 PolarHBondContact O-N 2.8Å; V123-F147 HydrophobicContact CG1-CE1 3.94Å | ||
| 124 | K | 78.8 | Confident | 66.1 | Low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 68% | 0.679 | S | S | * | * | trans | -103.8 | 135.3 | 175.7 | -64.9 | -179.9 | -177.7 | 177.3 | 0 | 109.1 | L126 | K124-L126 PolarHBondContact O-N 3.04Š| ||
| 125 | F | 80.9 | Confident | 65.2 | Low | 174 Ų | 174 | 144.4 Ų | 144.4 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | trans | -70.6 | 121.9 | 171.5 | -67.7 | -76.9 | 0 | 0 | 0 | 109.3 | V143 | F125-V143 HydrophobicContact CE1-CG1 3.76Š| ||
| 126 | L | 76.2 | Confident | 64.2 | Low | 168 Ų | 168 | 138.7 Ų | 138.7 | 88% | 0.88 | 71% | 0.705 | S | S | * | * | trans | -82.8 | -41.6 | -174.6 | -63.8 | 176.5 | 0 | 0 | 0 | 112.1 | K124 | K124-L126 PolarHBondContact O-N 3.04Š| ||
| 127 | S | 69.8 | Low | 63.4 | Low | 89 Ų | 89 | 145.7 Ų | 145.7 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | trans | -161.3 | 157.2 | -176.2 | 55 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 128 | L | 67.8 | Low | 62.8 | Low | 126 Ų | 126 | 142.1 Ų | 142.1 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | trans | -86.5 | 110.6 | 163.6 | -175.8 | 76.4 | 0 | 0 | 0 | 107.4 | R130 | L128-R130 HydrophobicContact CD2-CG 4.1Å; L128-R130 HydrophobicContact CG-CG 4.41Å; L128-R130 PolarHBondContact O-N 2.81Å | ||
| 129 | I | 63.2 | Low | 62.2 | Low | 100 Ų | 100 | 141 Ų | 141 | 51% | 0.513 | 71% | 0.714 | S | S | . | * | trans | -81 | 112 | 169.9 | -56.5 | 173.6 | 0 | 0 | 0 | 106.2 | ||||
| 130 | R | 57.1 | Low | 61.9 | Low | 208 Ų | 208 | 138.2 Ų | 138.2 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -87.5 | 116.9 | 167.8 | -66 | -178.6 | 179.4 | -178.1 | -1.9 | 106.2 | L128 E132 | L128-R130 HydrophobicContact CD2-CG 4.1Å; L128-R130 HydrophobicContact CG-CG 4.41Å; L128-R130 PolarHBondContact O-N 2.81Å; R130-E132 PolarHBondContact O-N 3.29Å | ||
| 131 | E | 53.7 | Low | 61.9 | Low | 94 Ų | 94 | 130.9 Ų | 130.9 | 44% | 0.439 | 66% | 0.664 | S | S | . | * | trans | -72.3 | 117.4 | 167 | -65.8 | -176.2 | 167.9 | 0 | 0 | 106.4 | N133 | E131-N133 PolarHBondContact O-N 2.96Š| ||
| 132 | E | 45 | Very low | 62.3 | Low | 192 Ų | 192 | 128 Ų | 128 | 90% | 0.897 | 65% | 0.648 | S | S | * | * | trans | -70.8 | 77.1 | 174.1 | -72.9 | 179 | 167.7 | 0 | 0 | 108.7 | R130 | R130-E132 PolarHBondContact O-N 3.29Š| ||
| 133 | N | 43.7 | Very low | 62.7 | Low | 98 Ų | 98 | 121 Ų | 121 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | trans | -93.4 | 121.7 | 164 | -66.8 | -25.8 | 0 | 0 | 0 | 107.2 | E131 E135 | E131-N133 PolarHBondContact O-N 2.96Å; N133-E135 PolarHBondContact O-N 2.92Å | ||
| 134 | E | 46.4 | Very low | 63 | Low | 202 Ų | 202 | 123.4 Ų | 123.4 | 94% | 0.944 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -67.4 | 4.3 | -170.6 | -72.9 | -173.9 | 146.6 | 0 | 0 | 115.3 | ||
| 135 | E | 44.7 | Very low | 63.4 | Low | 182 Ų | 182 | 115 Ų | 115 | 85% | 0.85 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -140.9 | 102.7 | 178.6 | -66.4 | -172.7 | 171.3 | 0 | 0 | 111.1 | N133 | N133-E135 PolarHBondContact O-N 2.92Š|
| 136 | G | 44.8 | Very low | 63.7 | Low | 63 Ų | 63 | 110.3 Ų | 110.3 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 98.7 | 146.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D138 | G136-D138 PolarHBondContact O-N 3.43Š|
| 137 | E | 45.4 | Very low | 64.2 | Low | 196 Ų | 196 | 105.9 Ų | 105.9 | 92% | 0.916 | 55% | 0.545 | S | S | * | . | trans | -72.8 | 63 | 177.9 | -155.7 | 172.8 | -142.2 | 0 | 0 | 109.8 | V139 | E137-V139 PolarHBondContact O-N 3.34Š| ||
| 138 | D | 49.6 | Very low | 65 | Low | 111 Ų | 111 | 105.3 Ų | 105.3 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | trans | -86.4 | 96.6 | -172.8 | -133.1 | -3.2 | 0 | 0 | 0 | 109.9 | G136 S140 | G136-D138 PolarHBondContact O-N 3.43Å; D138-S140 PolarHBondContact O-N 2.83Å | ||
| 139 | V | 57.6 | Low | 65.8 | Low | 88 Ų | 88 | 100.8 Ų | 100.8 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | trans | -72.2 | 83.2 | 178.6 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | E137 D141 R213 | E137-V139 PolarHBondContact O-N 3.34Å; V139-D141 VanDerWaalsContact C-N 3.27Å; V139-D141 PolarHBondContact O-N 3Å; V139-R213 VanDerWaalsContact C-NH2 3.33Å; V139-R213 PolarHBondContact O-NH2 3.34Å | ||
| 140 | S | 64.7 | Low | 66.7 | Low | 34 Ų | 34 | 99.3 Ų | 99.3 | 24% | 0.238 | 51% | 0.513 | C | S | . | . | trans | 6.1 | 12 | 175.5 | 115.9 | 0 | 0 | 0 | 0 | 123.8 | D138 S142 R213 | D138-S140 PolarHBondContact O-N 2.83Å; S140-S142 PolarHBondContact O-N 3.48Å; S140-S142 PolarHBondContact O-OG 3.2Å; S140-S142 PolarHBondContact OG-O 3.44Å; S140-R213 VanDerWaalsContact CA-NH2 3.28Å; S140-R213 PolarHBondContact OG-NH2 2.94Å | ||
| 141 | D | 76.5 | Confident | 67.8 | Low | 51 Ų | 51 | 93.9 Ų | 93.9 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | S | Bend | trans | 47 | -20.1 | 176.5 | -77.4 | 5.1 | 0 | 0 | 0 | 121.9 | V139 R213 K214 | V139-D141 VanDerWaalsContact C-N 3.27Å; V139-D141 PolarHBondContact O-N 3Å; D141-R213 VanDerWaalsContact N-NH2 3.13Å; D141-R213 VanDerWaalsContact O-CB 3.28Å; D141-R213 WeakPolarHBondContact O-CB 3.41Å; D141-R213 PolarHBondContact O-N 3.31Å; D141-K214 VanDerWaalsContact CG-NZ 3.3Å; D141-K214 WeakPolarHBondContact OD1-CE 3.16Å; D141-K214 IonicContact OD1-NZ 2.71Å; D141-K214 PolarHBondContact OD1-NZ 3.06Å; D141-K214 IonicContact OD2-NZ 3.46Å; D141-K214 PolarHBondContact OD2-NZ 2.87Å; D141-K214 VanDerWaalsContact OD2-NZ 3.14Å |
| 142 | S | 84.3 | Confident | 69.1 | Low | 34 Ų | 34 | 96.3 Ų | 96.3 | 24% | 0.238 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 168.5 | -178.9 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | S140 V211 R213 | S140-S142 PolarHBondContact O-N 3.48Å; S140-S142 PolarHBondContact O-OG 3.2Å; S140-S142 PolarHBondContact OG-O 3.44Å; S142-V211 CarbonylContact C-O 3.44Å; S142-V211 WeakPolarHBondContact CA-O 3.31Å; S142-V211 WeakPolarHBondContact CB-O 3.39Å; S142-R213 PolarHBondContact O-NE 3.46Å; S142-R213 VanDerWaalsContact O-NE 3.13Å; S142-R213 PolarHBondContact O-NH2 3.35Å |
| 143 | V | 86.3 | Confident | 70.9 | Confident | 53 Ų | 53 | 87.3 Ų | 87.3 | 32% | 0.321 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 114.3 | 174.1 | 174.9 | 0 | 0 | 0 | 0 | 106.7 | F125 V211 R213 | F125-V143 HydrophobicContact CE1-CG1 3.76Å; V143-V211 PolarHBondContact N-O 3.26Å; V143-V211 PolarHBondContact O-N 2.94Å; V143-R213 HydrophobicContact CG2-CG 3.72Å |
| 144 | R | 86.9 | Confident | 72.8 | Confident | 138 Ų | 138 | 83.1 Ų | 83.1 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 130.8 | 176.2 | -174.2 | 167.7 | -69.7 | 162.7 | 1.1 | 111.1 | M209 D210 | R144-M209 CarbonylContact C-O 3.58Å; R144-M209 WeakPolarHBondContact CA-O 3.48Å; R144-D210 WeakPolarHBondContact CA-OD1 3.24Å; R144-D210 WeakPolarHBondContact CB-OD1 3.34Å; R144-D210 WeakPolarHBondContact CG-OD1 3.34Å; R144-D210 IonicContact CZ-OD1 2.64Å; R144-D210 IonicContact NE-OD1 2.75Å; R144-D210 PolarHBondContact NE-OD1 2.89Å; R144-D210 IonicContact NE-OD2 2.77Å; R144-D210 IonicContact NH2-OD1 3.35Å; R144-D210 IonicContact NH2-OD2 2.97Å; R144-D210 PolarHBondContact NH2-OD2 3.42Å |
| 145 | G | 86.2 | Confident | 74.7 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | M209 | G145-M209 PolarHBondContact N-O 3.44Å; G145-M209 PolarHBondContact O-N 3.42Å |
| 146 | V | 88.1 | Confident | 76.9 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 113.7 | 174 | -177.3 | 0 | 0 | 0 | 0 | 108 | E206 V207 | V146-E206 HydrophobicContact CG1-CB 4.49Å; V146-V207 WeakPolarHBondContact CA-O 3.06Å |
| 147 | F | 86.1 | Confident | 79 | Confident | 75 Ų | 75 | 68 Ų | 68 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117 | -176.2 | -53.7 | -82.1 | 0 | 0 | 0 | 110.2 | V123 I149 E206 V207 M209 | V123-F147 HydrophobicContact CG1-CE1 3.94Å; F147-I149 PolarHBondContact O-N 2.95Å; F147-E206 CarbonylContact O-C 3.55Å; F147-E206 VanDerWaalsContact O-CA 3.3Å; F147-E206 WeakPolarHBondContact O-CA 3.49Å; F147-V207 HydrophobicContact CB-CB 4.33Å; F147-V207 PolarHBondContact N-O 3.15Å; F147-V207 PolarHBondContact O-N 2.82Å; F147-M209 HydrophobicContact CE2-CB 4.38Å; F147-M209 HydrophobicContact CE2-CE 3.61Å; F147-M209 HydrophobicContact CZ-CE 4.12Å |
| 148 | T | 87.3 | Confident | 81.3 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113.3 | 172 | -50.7 | 0 | 0 | 0 | 0 | 109.8 | K204 E206 | T148-K204 HydrophobicContact CG2-CG 4.11Å; T148-E206 HydrophobicContact CG2-CG 4.47Å |
| 149 | I | 84.3 | Confident | 83.2 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.9 | 174 | -60.2 | 179.7 | 0 | 0 | 0 | 107.9 | I118 F147 K204 F205 V207 | I118-I149 HydrophobicContact CD1-CD1 3.48Å; I118-I149 VanDerWaalsContact CD1-CD1 3.48Å; I118-I149 HydrophobicContact CG1-CD1 3.72Å; F147-I149 PolarHBondContact O-N 2.95Å; I149-K204 WeakPolarHBondContact O-CA 3.49Å; I149-F205 HydrophobicContact CB-CD1 4.32Å; I149-F205 HydrophobicContact CB-CD2 4.39Å; I149-F205 HydrophobicContact CB-CE1 3.87Å; I149-F205 HydrophobicContact CB-CE2 3.96Å; I149-F205 HydrophobicContact CB-CZ 3.68Å; I149-F205 HydrophobicContact CD1-CE2 3.72Å; I149-F205 HydrophobicContact CD1-CZ 3.75Å; I149-F205 HydrophobicContact CG1-CE2 4.26Å; I149-F205 HydrophobicContact CG1-CZ 4.26Å; I149-F205 HydrophobicContact CG2-CD1 4.49Å; I149-F205 HydrophobicContact CG2-CE1 3.68Å; I149-F205 HydrophobicContact CG2-CE2 4.43Å; I149-F205 HydrophobicContact CG2-CZ 3.65Å; I149-F205 PolarHBondContact N-O 3.3Å; I149-F205 PolarHBondContact O-N 2.96Å; I149-V207 HydrophobicContact CD1-CG2 3.53Å; I149-V207 HydrophobicContact CG1-CG2 4.21Å |
| 150 | S | 82.6 | Confident | 84.8 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 120 | 177 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | V203 | S150-V203 CarbonylContact C-O 3.58Å; S150-V203 WeakPolarHBondContact CA-O 3.07Å |
| 151 | Q | 79.8 | Confident | 86.2 | Confident | 95 Ų | 95 | 54.6 Ų | 54.6 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 106.9 | 166.7 | -177.1 | 176.8 | -4 | 0 | 0 | 107.7 | S202 V203 | Q151-S202 VanDerWaalsContact O-CA 3.29Å; Q151-S202 WeakPolarHBondContact O-CA 3.4Å; Q151-S202 VanDerWaalsContact O-CB 3.31Å; Q151-S202 WeakPolarHBondContact O-CB 3.42Å; Q151-V203 PolarHBondContact N-O 2.87Å; Q151-V203 PolarHBondContact O-N 3.46Å |
| 152 | R | 81.6 | Confident | 87 | Confident | 144 Ų | 144 | 52.1 Ų | 52.1 | 54% | 0.543 | 28% | 0.278 | S | S | . | . | trans | -71.4 | 143.3 | 177.2 | -67.7 | -174.8 | -172.5 | 179 | 0.7 | 110.2 | A154 F360 F361 | R152-A154 PolarHBondContact O-N 2.92Å; R152-F360 HydrophobicContact CB-CD1 4.43Å; R152-F361 WeakPolarHBondContact CB-O 3.43Å | ||
| 153 | A | 82.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 136.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | L199 E200 F361 | A153-L199 HydrophobicContact CB-CB 4.09Å; A153-E200 WeakPolarHBondContact CB-O 3.17Å; A153-F361 HydrophobicContact CB-CB 4.32Å; A153-F361 PolarHBondContact O-N 3.24Å |
| 154 | A | 84.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R152 Q358 A359 F360 | R152-A154 PolarHBondContact O-N 2.92Å; A154-Q358 HydrophobicContact CB-CG 4.12Å; A154-A359 CarbonylContact C-O 3.37Å; A154-A359 WeakPolarHBondContact CA-O 3.29Å; A154-F360 HydrophobicContact CB-CD1 3.88Å; A154-F360 HydrophobicContact CB-CE1 3.94Å |
| 155 | V | 86.3 | Confident | 88.1 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.8 | 171.8 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | L157 L197 L199 A359 F361 | V155-L157 PolarHBondContact O-N 3.01Å; V155-L197 HydrophobicContact CG1-CD1 4.04Å; V155-L197 HydrophobicContact CG2-CD1 4.04Å; V155-L197 HydrophobicContact CG2-CD2 4.41Å; V155-L197 HydrophobicContact CG2-CG 4.37Å; V155-L199 HydrophobicContact CG2-CD2 3.65Å; V155-A359 PolarHBondContact N-O 2.81Å; V155-A359 PolarHBondContact O-N 3.27Å; V155-F361 HydrophobicContact CB-CE2 4.11Å; V155-F361 HydrophobicContact CG2-CD2 4.43Å; V155-F361 HydrophobicContact CG2-CE2 3.83Å |
| 156 | L | 89.5 | Confident | 88.5 | Confident | 103 Ų | 103 | 42.5 Ų | 42.5 | 54% | 0.539 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 110.1 | 170.8 | -175.3 | 66.7 | 0 | 0 | 0 | 109 | L158 | L156-L158 HydrophobicContact CD2-CD2 3.95Å; L156-L158 HydrophobicContact CG-CD2 4.07Å |
| 157 | L | 90.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.3 | 172.8 | -168.2 | 64.6 | 0 | 0 | 0 | 108.9 | V155 Q161 L163 L314 I351 S356 L357 | V155-L157 PolarHBondContact O-N 3.01Å; L157-Q161 HydrophobicContact CD1-CB 3.49Å; L157-Q161 VanDerWaalsContact CD1-CB 3.49Å; L157-Q161 HydrophobicContact CG-CB 4.22Å; L157-L163 HydrophobicContact CB-CD1 4.43Å; L157-L163 HydrophobicContact CD1-CD1 4.04Å; L157-L163 HydrophobicContact CD1-CG 4.01Å; L157-L163 HydrophobicContact CD2-CD1 4.11Å; L157-L163 HydrophobicContact CD2-CG 4.42Å; L157-L163 HydrophobicContact CG-CD1 4.44Å; L157-L314 HydrophobicContact CD1-CD1 3.46Å; L157-L314 VanDerWaalsContact CD1-CD1 3.46Å; L157-I351 HydrophobicContact CB-CG1 4.5Å; L157-I351 HydrophobicContact CD2-CB 4.32Å; L157-I351 HydrophobicContact CD2-CG1 3.46Å; L157-I351 VanDerWaalsContact CD2-CG1 3.46Å; L157-I351 HydrophobicContact CG-CB 4.49Å; L157-I351 HydrophobicContact CG-CG1 3.96Å; L157-S356 CarbonylContact O-C 3.52Å; L157-S356 VanDerWaalsContact O-CA 3.26Å; L157-S356 WeakPolarHBondContact O-CA 3.37Å; L157-L357 WeakPolarHBondContact CB-O 3.46Å; L157-L357 PolarHBondContact N-O 2.98Å; L157-L357 PolarHBondContact O-N 3.28Å |
| 158 | L | 91.8 | Very high | 88.8 | Confident | 89 Ų | 89 | 45.5 Ų | 45.5 | 47% | 0.466 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 156.3 | 179.2 | -57.9 | 176.5 | 0 | 0 | 0 | 110.4 | L156 Q161 | L156-L158 HydrophobicContact CD2-CD2 3.95Å; L156-L158 HydrophobicContact CG-CD2 4.07Å; L158-Q161 WeakPolarHBondContact O-CB 3.41Å; L158-Q161 WeakPolarHBondContact O-CG 3.35Å; L158-Q161 PolarHBondContact O-N 3.03Å |
| 159 | G | 91.4 | Very high | 89 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 26% | 0.258 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 140.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I351 A352 K355 | G159-I351 CarbonylContact C-O 3.56Å; G159-I351 WeakPolarHBondContact CA-O 3.49Å; G159-A352 WeakPolarHBondContact CA-O 3.48Å; G159-K355 WeakPolarHBondContact CA-O 3.33Å; G159-K355 PolarHBondContact N-O 3.33Å |
| 160 | G | 91 | Very high | 89.3 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 16.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G317 I318 I351 | G160-G317 PolarHBondContact O-N 3.26Å; G160-I318 WeakPolarHBondContact CA-O 3.47Å; G160-I318 PolarHBondContact O-N 2.88Å; G160-I318 VanDerWaalsContact O-N 3.08Å; G160-I351 PolarHBondContact N-O 3.36Å |
| 161 | Q | 94.1 | Very high | 89.7 | Confident | 27 Ų | 27 | 47.4 Ų | 47.4 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 151.3 | 175.4 | -56.3 | -178.5 | -40.2 | 0 | 0 | 111.6 | L157 L158 L314 L315 E316 Y350 I351 | L157-Q161 HydrophobicContact CD1-CB 3.49Å; L157-Q161 VanDerWaalsContact CD1-CB 3.49Å; L157-Q161 HydrophobicContact CG-CB 4.22Å; L158-Q161 WeakPolarHBondContact O-CB 3.41Å; L158-Q161 WeakPolarHBondContact O-CG 3.35Å; L158-Q161 PolarHBondContact O-N 3.03Å; Q161-L314 HydrophobicContact CB-CD1 4.04Å; Q161-L315 WeakPolarHBondContact CA-O 3.41Å; Q161-L315 WeakPolarHBondContact CB-O 3.28Å; Q161-E316 HydrophobicContact CG-CG 4.45Å; Q161-Y350 WeakPolarHBondContact O-CD2 3.38Å; Q161-I351 PolarHBondContact O-N 3.29Å; Q161-I351 VanDerWaalsContact O-N 3.09Å |
| 162 | A | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L315 I318 L331 K349 Y350 | A162-L315 HydrophobicContact CB-CB 4.22Å; A162-L315 HydrophobicContact CB-CD1 4.37Å; A162-L315 PolarHBondContact N-O 3.37Å; A162-L315 PolarHBondContact O-N 2.96Å; A162-I318 HydrophobicContact CB-CD1 3.58Å; A162-L331 HydrophobicContact CB-CD1 4.06Å; A162-K349 CarbonylContact C-O 3.57Å; A162-K349 VanDerWaalsContact CA-O 3.25Å; A162-K349 WeakPolarHBondContact CA-O 3.43Å; A162-Y350 HydrophobicContact CB-CD2 4.16Å |
| 163 | L | 93.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.1 | 169.7 | -89.5 | 160.2 | 0 | 0 | 0 | 108.7 | L157 L197 T312 L314 I348 K349 A359 F361 | L157-L163 HydrophobicContact CB-CD1 4.43Å; L157-L163 HydrophobicContact CD1-CD1 4.04Å; L157-L163 HydrophobicContact CD1-CG 4.01Å; L157-L163 HydrophobicContact CD2-CD1 4.11Å; L157-L163 HydrophobicContact CD2-CG 4.42Å; L157-L163 HydrophobicContact CG-CD1 4.44Å; L163-L197 HydrophobicContact CD2-CD1 4.26Å; L163-L197 HydrophobicContact CD2-CD2 3.64Å; L163-T312 HydrophobicContact CD2-CG2 3.48Å; L163-T312 VanDerWaalsContact CD2-CG2 3.48Å; L163-L314 HydrophobicContact CG-CD1 4.32Å; L163-I348 CarbonylContact O-C 3.55Å; L163-I348 VanDerWaalsContact O-CA 3.31Å; L163-I348 WeakPolarHBondContact O-CA 3.43Å; L163-K349 PolarHBondContact N-O 2.83Å; L163-K349 PolarHBondContact O-N 2.99Å; L163-A359 HydrophobicContact CD1-CB 3.68Å; L163-F361 HydrophobicContact CD1-CZ 4.37Å; L163-F361 HydrophobicContact CD2-CZ 4.1Å |
| 164 | I | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.3 | 174.8 | -55.3 | -175.6 | 0 | 0 | 0 | 108.6 | F166 T312 I313 L315 F335 I345 I348 | I164-F166 HydrophobicContact CB-CE2 4.38Å; I164-F166 HydrophobicContact CG2-CD1 4.49Å; I164-F166 HydrophobicContact CG2-CD2 4.24Å; I164-F166 HydrophobicContact CG2-CE1 4.06Å; I164-F166 HydrophobicContact CG2-CE2 3.79Å; I164-F166 HydrophobicContact CG2-CZ 3.68Å; I164-T312 CarbonylContact O-C 3.53Å; I164-T312 VanDerWaalsContact O-CA 3.25Å; I164-T312 WeakPolarHBondContact O-CA 3.42Å; I164-T312 WeakPolarHBondContact O-CG2 3Å; I164-I313 HydrophobicContact CB-CG1 3.98Å; I164-I313 PolarHBondContact N-O 2.72Å; I164-I313 PolarHBondContact O-N 3.26Å; I164-L315 HydrophobicContact CD1-CD1 3.45Å; I164-L315 VanDerWaalsContact CD1-CD1 3.45Å; I164-L315 HydrophobicContact CD1-CG 4.07Å; I164-L315 HydrophobicContact CG1-CD1 4.2Å; I164-L315 HydrophobicContact CG1-CG 4.46Å; I164-F335 HydrophobicContact CD1-CB 4.23Å; I164-F335 HydrophobicContact CD1-CD2 3.51Å; I164-F335 HydrophobicContact CD1-CE2 4.07Å; I164-F335 HydrophobicContact CD1-CG 3.92Å; I164-I345 HydrophobicContact CG2-CD1 4.01Å; I164-I345 HydrophobicContact CG2-CG1 4.2Å; I164-I345 HydrophobicContact CG2-CG2 4.09Å; I164-I348 HydrophobicContact CD1-CD1 3.87Å; I164-I348 HydrophobicContact CG1-CD1 3.82Å; I164-I348 HydrophobicContact CG1-CG1 3.92Å |
| 165 | T | 92.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.8 | 170.4 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | R311 T312 E346 N347 | T165-R311 HydrophobicContact CG2-CB 4.41Å; T165-T312 WeakPolarHBondContact OG1-CG2 3.38Å; T165-T312 PolarHBondContact OG1-OG1 3.43Å; T165-E346 HydrophobicContact CG2-CB 4.25Å; T165-E346 PolarHBondContact O-N 3.3Å; T165-N347 PolarHBondContact N-O 2.92Å; T165-N347 PolarHBondContact O-N 3.21Å |
| 166 | F | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 153 | 174.9 | -63.4 | -83.4 | 0 | 0 | 0 | 111 | I164 E168 V171 A172 V175 R311 I313 F335 E344 I345 | I164-F166 HydrophobicContact CB-CE2 4.38Å; I164-F166 HydrophobicContact CG2-CD1 4.49Å; I164-F166 HydrophobicContact CG2-CD2 4.24Å; I164-F166 HydrophobicContact CG2-CE1 4.06Å; I164-F166 HydrophobicContact CG2-CE2 3.79Å; I164-F166 HydrophobicContact CG2-CZ 3.68Å; F166-E168 VanDerWaalsContact C-N 3.35Å; F166-V171 HydrophobicContact CB-CB 4.35Å; F166-V171 HydrophobicContact CB-CG1 4.49Å; F166-V171 HydrophobicContact CD1-CB 4.25Å; F166-V171 HydrophobicContact CD1-CG1 3.5Å; F166-V171 VanDerWaalsContact CD1-CG1 3.5Å; F166-V171 HydrophobicContact CE1-CG1 3.73Å; F166-V171 HydrophobicContact CG-CB 4.26Å; F166-V171 HydrophobicContact CG-CG1 3.92Å; F166-V171 HydrophobicContact CZ-CG1 4.33Å; F166-A172 HydrophobicContact CD2-CB 3.82Å; F166-A172 HydrophobicContact CE2-CB 4.45Å; F166-V175 HydrophobicContact CZ-CG2 4.12Å; F166-R311 PolarHBondContact N-O 2.92Å; F166-R311 WeakPolarHBondContact O-CB 3.38Å; F166-R311 PolarHBondContact O-NH1 2.97Å; F166-I313 HydrophobicContact CE2-CD1 3.69Å; F166-I313 HydrophobicContact CE2-CG1 3.88Å; F166-I313 HydrophobicContact CE2-CG2 4.4Å; F166-I313 HydrophobicContact CZ-CD1 4.18Å; F166-F335 HydrophobicContact CE1-CB 4.18Å; F166-F335 HydrophobicContact CZ-CB 4.17Å; F166-F335 HydrophobicContact CZ-CD1 4.33Å; F166-E344 WeakPolarHBondContact CA-O 3.41Å; F166-I345 HydrophobicContact CD1-CG1 3.96Å; F166-I345 HydrophobicContact CE1-CD1 4.34Å; F166-I345 HydrophobicContact CE1-CG1 3.92Å |
| 167 | E | 90.9 | Very high | 91.6 | Very high | 101 Ų | 101 | 50.1 Ų | 50.1 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -64 | -43.4 | 171.8 | -66.6 | -160.4 | -173.3 | 0 | 0 | 111 | R311 E344 E346 | E167-R311 WeakPolarHBondContact O-CD 3.15Å; E167-R311 PolarHBondContact O-NH1 2.9Å; E167-R311 VanDerWaalsContact O-NH1 3.11Å; E167-E344 HydrophobicContact CB-CB 4.27Å; E167-E344 HydrophobicContact CG-CB 4.03Å; E167-E344 PolarHBondContact N-O 2.92Å; E167-E346 HydrophobicContact CG-CB 4.16Å |
| 168 | E | 90.7 | Very high | 91.5 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 52% | 0.523 | 26% | 0.256 | S | S | . | . | trans | -100.4 | 126.1 | -179.7 | -71.5 | -169.8 | -126.9 | 0 | 0 | 113.7 | F166 K170 V171 | F166-E168 VanDerWaalsContact C-N 3.35Å; E168-K170 PolarHBondContact O-N 3.35Å; E168-K170 VanDerWaalsContact O-N 3.16Å; E168-V171 HydrophobicContact CB-CG2 3.92Å; E168-V171 PolarHBondContact O-N 3.49Å; E168-V171 VanDerWaalsContact O-N 3.09Å | ||
| 169 | E | 90.4 | Very high | 91 | Very high | 62 Ų | 62 | 54 Ų | 54 | 29% | 0.29 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54 | -36.6 | 171.9 | 168.2 | 172.6 | -174.9 | 0 | 0 | 112.7 | V171 A172 Q173 R310 R311 | E169-V171 PolarHBondContact O-N 2.97Å; E169-A172 PolarHBondContact O-N 3.1Å; E169-Q173 HydrophobicContact CG-CG 4.29Å; E169-Q173 WeakPolarHBondContact O-CG 3.45Å; E169-Q173 PolarHBondContact O-N 3.21Å; E169-Q173 PolarHBondContact OE1-NE2 2.91Å; E169-R310 HydrophobicContact CB-CB 4.49Å; E169-R310 VanDerWaalsContact CD-CB 3.49Å; E169-R310 HydrophobicContact CG-CB 3.88Å; E169-R310 WeakPolarHBondContact OE1-CD 3.43Å; E169-R310 WeakPolarHBondContact OE2-CD 3.25Å; E169-R310 IonicContact OE2-NH1 3.87Å; E169-R311 HydrophobicContact CB-CG 4Å |
| 170 | K | 90.7 | Very high | 90.8 | Very high | 146 Ų | 146 | 54.7 Ų | 54.7 | 64% | 0.635 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.4 | -31.4 | -177.9 | -67.5 | 177 | -175.7 | 167 | 0 | 112.2 | E168 K174 | E168-K170 PolarHBondContact O-N 3.35Å; E168-K170 VanDerWaalsContact O-N 3.16Å; K170-K174 VanDerWaalsContact O-CG 3.29Å; K170-K174 WeakPolarHBondContact O-CG 3.32Å; K170-K174 PolarHBondContact O-N 2.76Å |
| 171 | V | 91.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.2 | -50.1 | 178.8 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | F166 E168 E169 Q173 K174 V175 G342 | F166-V171 HydrophobicContact CB-CB 4.35Å; F166-V171 HydrophobicContact CB-CG1 4.49Å; F166-V171 HydrophobicContact CD1-CB 4.25Å; F166-V171 HydrophobicContact CD1-CG1 3.5Å; F166-V171 VanDerWaalsContact CD1-CG1 3.5Å; F166-V171 HydrophobicContact CE1-CG1 3.73Å; F166-V171 HydrophobicContact CG-CB 4.26Å; F166-V171 HydrophobicContact CG-CG1 3.92Å; F166-V171 HydrophobicContact CZ-CG1 4.33Å; E168-V171 HydrophobicContact CB-CG2 3.92Å; E168-V171 PolarHBondContact O-N 3.49Å; E168-V171 VanDerWaalsContact O-N 3.09Å; E169-V171 PolarHBondContact O-N 2.97Å; V171-Q173 VanDerWaalsContact C-N 3.29Å; V171-Q173 PolarHBondContact O-N 3.4Å; V171-K174 WeakPolarHBondContact O-CB 3.4Å; V171-K174 PolarHBondContact O-N 3.32Å; V171-V175 PolarHBondContact O-N 3.17Å; V171-G342 VanDerWaalsContact CG1-C 3.48Å |
| 172 | A | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.3 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F166 E169 K174 V175 L176 R310 I313 | F166-A172 HydrophobicContact CD2-CB 3.82Å; F166-A172 HydrophobicContact CE2-CB 4.45Å; E169-A172 PolarHBondContact O-N 3.1Å; A172-K174 VanDerWaalsContact C-N 3.32Å; A172-K174 PolarHBondContact O-N 3.41Å; A172-V175 PolarHBondContact O-N 3.36Å; A172-L176 WeakPolarHBondContact O-CB 3.4Å; A172-L176 VanDerWaalsContact O-CG 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.36Å; A172-L176 PolarHBondContact O-N 3.22Å; A172-R310 WeakPolarHBondContact CB-O 3.31Å; A172-I313 HydrophobicContact CB-CG2 3.97Å |
| 173 | Q | 90.4 | Very high | 90 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -31.1 | 177.6 | -69.7 | -171.4 | 0.9 | 0 | 0 | 114 | E169 V171 K177 | E169-Q173 HydrophobicContact CG-CG 4.29Å; E169-Q173 WeakPolarHBondContact O-CG 3.45Å; E169-Q173 PolarHBondContact O-N 3.21Å; E169-Q173 PolarHBondContact OE1-NE2 2.91Å; V171-Q173 VanDerWaalsContact C-N 3.29Å; V171-Q173 PolarHBondContact O-N 3.4Å; Q173-K177 WeakPolarHBondContact O-CG 3.34Å |
| 174 | K | 90.9 | Very high | 89.6 | Confident | 117 Ų | 117 | 65.5 Ų | 65.5 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -46.4 | 174.6 | -72.2 | 168.3 | -175 | 175.6 | 0 | 110.5 | K170 V171 A172 L176 K177 | K170-K174 VanDerWaalsContact O-CG 3.29Å; K170-K174 WeakPolarHBondContact O-CG 3.32Å; K170-K174 PolarHBondContact O-N 2.76Å; V171-K174 WeakPolarHBondContact O-CB 3.4Å; V171-K174 PolarHBondContact O-N 3.32Å; A172-K174 VanDerWaalsContact C-N 3.32Å; A172-K174 PolarHBondContact O-N 3.41Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 2.83Å; K174-K177 WeakPolarHBondContact O-CB 3.4Å; K174-K177 PolarHBondContact O-N 2.82Å; K174-K177 VanDerWaalsContact O-N 3.17Å |
| 175 | V | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | F166 V171 A172 K177 L178 P194 I313 F335 S341 | F166-V175 HydrophobicContact CZ-CG2 4.12Å; V171-V175 PolarHBondContact O-N 3.17Å; A172-V175 PolarHBondContact O-N 3.36Å; V175-K177 PolarHBondContact O-N 3.02Å; V175-L178 VanDerWaalsContact O-CB 3.29Å; V175-L178 WeakPolarHBondContact O-CB 3.44Å; V175-L178 PolarHBondContact O-N 2.83Å; V175-P194 HydrophobicContact CG1-CB 3.87Å; V175-P194 HydrophobicContact CG1-CG 4.22Å; V175-P194 WeakPolarHBondContact O-CG 3.24Å; V175-I313 HydrophobicContact CB-CD1 4.22Å; V175-I313 HydrophobicContact CG1-CD1 3.51Å; V175-F335 HydrophobicContact CG1-CD1 4.09Å; V175-F335 HydrophobicContact CG1-CE1 3.63Å; V175-F335 HydrophobicContact CG2-CD1 4.29Å; V175-S341 WeakPolarHBondContact CG2-O 3.39Å |
| 176 | L | 90.5 | Very high | 88.4 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20 | 177.3 | -72.5 | 174.8 | 0 | 0 | 0 | 114.6 | A172 K174 L178 G196 I313 | A172-L176 WeakPolarHBondContact O-CB 3.4Å; A172-L176 VanDerWaalsContact O-CG 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.36Å; A172-L176 PolarHBondContact O-N 3.22Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 2.83Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-G196 VanDerWaalsContact CD2-N 3.29Å; L176-I313 HydrophobicContact CD1-CG2 4.07Å; L176-I313 HydrophobicContact CD2-CB 4.17Å; L176-I313 HydrophobicContact CD2-CG2 3.74Å; L176-I313 HydrophobicContact CG-CG2 3.7Å |
| 177 | K | 90 | Very high | 87.7 | Confident | 169 Ų | 169 | 79.2 Ų | 79.2 | 74% | 0.735 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -12.6 | 175 | -70.7 | 170.1 | -174.8 | 178.9 | 0 | 112.5 | Q173 K174 V175 | Q173-K177 WeakPolarHBondContact O-CG 3.34Å; K174-K177 WeakPolarHBondContact O-CB 3.4Å; K174-K177 PolarHBondContact O-N 2.82Å; K174-K177 VanDerWaalsContact O-N 3.17Å; V175-K177 PolarHBondContact O-N 3.02Å |
| 178 | L | 87.8 | Confident | 87.4 | Confident | 55 Ų | 55 | 78.4 Ų | 78.4 | 29% | 0.288 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -76.6 | 133.5 | 178.4 | -59.2 | 175.3 | 0 | 0 | 0 | 109.8 | V175 L176 G180 P194 | V175-L178 VanDerWaalsContact O-CB 3.29Å; V175-L178 WeakPolarHBondContact O-CB 3.44Å; V175-L178 PolarHBondContact O-N 2.83Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L178-G180 PolarHBondContact O-N 3.41Å; L178-P194 HydrophobicContact CB-CG 4.41Å |
| 179 | P | 83.1 | Confident | 87.1 | Confident | 119 Ų | 119 | 77 Ų | 77 | 77% | 0.773 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -67.8 | -22.6 | 176.7 | 27.6 | -34.1 | 0 | 0 | 0 | 112.6 | ||
| 180 | G | 86.6 | Confident | 87 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | trans | -179.4 | 161.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L178 V192 | L178-G180 PolarHBondContact O-N 3.41Å; G180-V192 CarbonylContact C-O 3.47Å; G180-V192 WeakPolarHBondContact CA-O 3.49Å | ||
| 181 | C | 86.9 | Confident | 86.9 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.1 | 179 | -55 | 0 | 0 | 0 | 0 | 109.3 | V192 F335 | C181-V192 HydrophobicContact CB-CG2 3.69Å; C181-V192 PolarHBondContact N-O 3.49Å; C181-V192 PolarHBondContact O-N 3.32Å; C181-F335 HydrophobicContact CB-CE1 4.35Å; C181-F335 HydrophobicContact CB-CZ 3.92Å |
| 182 | R | 87.6 | Confident | 86.8 | Confident | 189 Ų | 189 | 72.6 Ų | 72.6 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 102.2 | 176.5 | -81.6 | -174.7 | -69.2 | -162.9 | -0.4 | 109.1 | T189 L190 N191 H334 | R182-T189 HydrophobicContact CB-CG2 3.77Å; R182-T189 HydrophobicContact CG-CG2 4.08Å; R182-L190 CarbonylContact C-O 3.56Å; R182-L190 VanDerWaalsContact CA-O 3.31Å; R182-L190 WeakPolarHBondContact CA-O 3.37Å; R182-N191 WeakPolarHBondContact CG-OD1 3.39Å; R182-H334 PolarHBondContact O-NE2 3.24Å |
| 183 | V | 87.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.7 | -177.5 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | T189 L190 V192 L331 H334 F335 | V183-T189 CarbonylContact O-C 3.39Å; V183-T189 WeakPolarHBondContact O-CA 3.38Å; V183-L190 HydrophobicContact CB-CB 4.39Å; V183-L190 PolarHBondContact N-O 2.86Å; V183-L190 PolarHBondContact O-N 2.73Å; V183-V192 HydrophobicContact CG2-CG1 4.39Å; V183-V192 HydrophobicContact CG2-CG2 3.65Å; V183-L331 HydrophobicContact CB-CD2 4.5Å; V183-L331 HydrophobicContact CG1-CD2 4.18Å; V183-L331 HydrophobicContact CG2-CD2 3.98Å; V183-H334 HydrophobicContact CG1-CB 3.88Å; V183-H334 HydrophobicContact CG2-CB 4.34Å; V183-F335 HydrophobicContact CG2-CE2 4.23Å |
| 184 | S | 85 | Confident | 87 | Confident | 77 Ų | 77 | 74.7 Ų | 74.7 | 54% | 0.538 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 118 | 174.8 | -160.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 185 | C | 83.4 | Confident | 87 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 102.9 | 172.4 | -49.4 | 0 | 0 | 0 | 0 | 106.2 | D187 I188 L190 V321 H330 | C185-D187 PolarHBondContact O-N 2.92Å; C185-I188 PolarHBondContact N-O 3.5Å; C185-I188 PolarHBondContact O-N 2.83Å; C185-L190 WeakPolarHBondContact SG-CD1 3.43Å; C185-V321 HydrophobicContact CB-CG2 4.42Å; C185-H330 HydrophobicContact CB-CB 4.49Å |
| 186 | E | 78.4 | Confident | 86.9 | Confident | 146 Ų | 146 | 76 Ų | 76 | 68% | 0.682 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.7 | -100.9 | -171.3 | -57.7 | -169.2 | 160.1 | 0 | 0 | 113.7 | ||
| 187 | D | 77.3 | Confident | 86.8 | Confident | 165 Ų | 165 | 73.5 Ų | 73.5 | 88% | 0.882 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3.3 | -176.3 | -67.8 | -32.5 | 0 | 0 | 0 | 114.6 | C185 | C185-D187 PolarHBondContact O-N 2.92Š|
| 188 | I | 84.3 | Confident | 86.4 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 43% | 0.431 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.9 | -174 | -56.2 | 173.1 | 0 | 0 | 0 | 110.4 | C185 L190 V321 | C185-I188 PolarHBondContact N-O 3.5Å; C185-I188 PolarHBondContact O-N 2.83Å; I188-L190 HydrophobicContact CG2-CD2 4.43Å; I188-V321 HydrophobicContact CD1-CB 4.15Å; I188-V321 HydrophobicContact CD1-CG1 4.21Å; I188-V321 HydrophobicContact CG2-CG1 4.16Å |
| 189 | T | 85.9 | Confident | 86.1 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.3 | 173.5 | -55 | 0 | 0 | 0 | 0 | 110.6 | R182 V183 | R182-T189 HydrophobicContact CB-CG2 3.77Å; R182-T189 HydrophobicContact CG-CG2 4.08Å; V183-T189 CarbonylContact O-C 3.39Å; V183-T189 WeakPolarHBondContact O-CA 3.38Å |
| 190 | L | 87.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 137.8 | 177.2 | -61.7 | -179.9 | 0 | 0 | 0 | 111.5 | R182 V183 C185 I188 V192 I318 D319 V321 L327 | R182-L190 CarbonylContact C-O 3.56Å; R182-L190 VanDerWaalsContact CA-O 3.31Å; R182-L190 WeakPolarHBondContact CA-O 3.37Å; V183-L190 HydrophobicContact CB-CB 4.39Å; V183-L190 PolarHBondContact N-O 2.86Å; V183-L190 PolarHBondContact O-N 2.73Å; C185-L190 WeakPolarHBondContact SG-CD1 3.43Å; I188-L190 HydrophobicContact CG2-CD2 4.43Å; L190-V192 HydrophobicContact CB-CG1 4.39Å; L190-I318 HydrophobicContact CD1-CG2 4.4Å; L190-D319 HydrophobicContact CD2-CB 4.08Å; L190-V321 HydrophobicContact CD1-CG2 3.96Å; L190-V321 HydrophobicContact CD2-CB 4.5Å; L190-V321 HydrophobicContact CD2-CG1 3.71Å; L190-V321 HydrophobicContact CD2-CG2 3.94Å; L190-V321 HydrophobicContact CG-CG2 4.26Å; L190-L327 HydrophobicContact CD1-CD1 3.42Å; L190-L327 VanDerWaalsContact CD1-CD1 3.42Å |
| 191 | N | 88.3 | Confident | 85.1 | Confident | 118 Ų | 118 | 68.1 Ų | 68.1 | 63% | 0.631 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 101.1 | 172.7 | -74.6 | -50.4 | 0 | 0 | 0 | 110 | R182 | R182-N191 WeakPolarHBondContact CG-OD1 3.39Å |
| 192 | V | 91.3 | Very high | 84.7 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 143.1 | -179.9 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | G180 C181 V183 L190 I318 L331 F335 | G180-V192 CarbonylContact C-O 3.47Å; G180-V192 WeakPolarHBondContact CA-O 3.49Å; C181-V192 HydrophobicContact CB-CG2 3.69Å; C181-V192 PolarHBondContact N-O 3.49Å; C181-V192 PolarHBondContact O-N 3.32Å; V183-V192 HydrophobicContact CG2-CG1 4.39Å; V183-V192 HydrophobicContact CG2-CG2 3.65Å; L190-V192 HydrophobicContact CB-CG1 4.39Å; V192-I318 HydrophobicContact CB-CG1 4.42Å; V192-I318 HydrophobicContact CG1-CG1 3.59Å; V192-L331 HydrophobicContact CG1-CD2 4.38Å; V192-F335 HydrophobicContact CG2-CE2 4.33Å; V192-F335 HydrophobicContact CG2-CZ 4.1Å |
| 193 | K | 92.6 | Very high | 84.4 | Confident | 125 Ų | 125 | 60.3 Ų | 60.3 | 54% | 0.543 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.9 | -180 | -171.1 | 175.3 | -178.8 | 179.3 | 0 | 110.8 | E316 | K193-E316 PolarHBondContact N-O 3.35Å; K193-E316 PolarHBondContact O-N 3.35Å |
| 194 | P | 92.5 | Very high | 84.3 | Confident | 9 Ų | 9 | 64 Ų | 64 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 140.2 | 174.1 | 30.9 | -32.6 | 0 | 0 | 0 | 111 | V175 L178 I313 L314 L315 | V175-P194 HydrophobicContact CG1-CB 3.87Å; V175-P194 HydrophobicContact CG1-CG 4.22Å; V175-P194 WeakPolarHBondContact O-CG 3.24Å; L178-P194 HydrophobicContact CB-CG 4.41Å; P194-I313 HydrophobicContact CB-CD1 4.27Å; P194-L314 CarbonylContact C-O 3.37Å; P194-L315 HydrophobicContact CB-CD2 3.99Å |
| 195 | K | 91.6 | Very high | 84.4 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 44% | 0.435 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.6 | -179 | -172 | 176.5 | 173.7 | -176.6 | 0 | 110.7 | L314 E316 | K195-L314 PolarHBondContact N-O 2.98Å; K195-L314 PolarHBondContact O-N 3.4Å; K195-E316 WeakPolarHBondContact CD-OE1 3.42Å; K195-E316 WeakPolarHBondContact CD-OE2 3.5Å; K195-E316 IonicContact NZ-OE1 3.7Å; K195-E316 PolarHBondContact NZ-OE1 3.07Å; K195-E316 IonicContact NZ-OE2 2.82Å; K195-E316 PolarHBondContact NZ-OE2 2.96Å |
| 196 | G | 88.3 | Confident | 84.8 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 46% | 0.464 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 138 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L176 | L176-G196 VanDerWaalsContact CD2-N 3.29Å |
| 197 | L | 86.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 109.2 | -178.8 | -171.8 | 68.6 | 0 | 0 | 0 | 110.5 | V155 L163 L199 S308 S309 T312 L314 F361 | V155-L197 HydrophobicContact CG1-CD1 4.04Å; V155-L197 HydrophobicContact CG2-CD1 4.04Å; V155-L197 HydrophobicContact CG2-CD2 4.41Å; V155-L197 HydrophobicContact CG2-CG 4.37Å; L163-L197 HydrophobicContact CD2-CD1 4.26Å; L163-L197 HydrophobicContact CD2-CD2 3.64Å; L197-L199 HydrophobicContact CD2-CD2 3.64Å; L197-L199 HydrophobicContact CD2-CG 4.49Å; L197-L199 HydrophobicContact CG-CD2 3.97Å; L197-S308 CarbonylContact O-C 3.56Å; L197-S308 WeakPolarHBondContact O-CA 3.48Å; L197-S308 WeakPolarHBondContact O-CB 3.32Å; L197-S309 PolarHBondContact O-N 2.92Å; L197-T312 HydrophobicContact CD2-CG2 3.92Å; L197-L314 HydrophobicContact CD1-CB 4.36Å; L197-F361 HydrophobicContact CD2-CE1 3.75Å; L197-F361 HydrophobicContact CD2-CE2 4.05Å; L197-F361 HydrophobicContact CD2-CZ 3.33Å |
| 198 | A | 83 | Confident | 85.9 | Confident | 83 Ų | 83 | 50.9 Ų | 50.9 | 69% | 0.686 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 199 | L | 81.3 | Confident | 86.2 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 146.1 | 177.7 | -63.7 | 176.8 | 0 | 0 | 0 | 110.5 | A153 V155 L197 G307 F361 | A153-L199 HydrophobicContact CB-CB 4.09Å; V155-L199 HydrophobicContact CG2-CD2 3.65Å; L197-L199 HydrophobicContact CD2-CD2 3.64Å; L197-L199 HydrophobicContact CD2-CG 4.49Å; L197-L199 HydrophobicContact CG-CD2 3.97Å; L199-G307 WeakPolarHBondContact CB-O 3.46Å; L199-G307 PolarHBondContact N-O 3.39Å; L199-G307 VanDerWaalsContact N-O 3.11Å; L199-F361 HydrophobicContact CD1-CB 4.25Å; L199-F361 HydrophobicContact CD1-CD1 4.18Å; L199-F361 HydrophobicContact CD1-CG 4.09Å; L199-F361 HydrophobicContact CD2-CD1 4.02Å; L199-F361 HydrophobicContact CD2-CD2 3.47Å; L199-F361 VanDerWaalsContact CD2-CD2 3.47Å; L199-F361 HydrophobicContact CD2-CE1 4.12Å; L199-F361 HydrophobicContact CD2-CE2 3.6Å; L199-F361 HydrophobicContact CD2-CG 3.71Å; L199-F361 HydrophobicContact CD2-CZ 3.94Å |
| 200 | E | 74.1 | Confident | 86.4 | Confident | 131 Ų | 131 | 47.8 Ų | 47.8 | 61% | 0.612 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 160.3 | 166.7 | -66.4 | -168.8 | 168.3 | 0 | 0 | 110.8 | A153 S202 | A153-E200 WeakPolarHBondContact CB-O 3.17Å; E200-S202 PolarHBondContact O-N 3.37Å; E200-S202 VanDerWaalsContact O-N 3.14Å |
| 201 | T | 74.6 | Confident | 86.5 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | trans | -67.3 | 115.2 | 180 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | K111 F112 V203 S305 C306 | K111-T201 WeakPolarHBondContact CE-OG1 3.24Å; F112-T201 HydrophobicContact CD1-CG2 4.07Å; F112-T201 HydrophobicContact CE1-CG2 3.69Å; T201-V203 HydrophobicContact CG2-CG2 4.09Å; T201-S305 WeakPolarHBondContact CA-O 3.36Å; T201-C306 HydrophobicContact CG2-CB 4.48Å | ||
| 202 | S | 78.6 | Confident | 86.7 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 145.8 | 166.8 | 34.3 | 0 | 0 | 0 | 0 | 110.1 | Q151 E200 S305 | Q151-S202 VanDerWaalsContact O-CA 3.29Å; Q151-S202 WeakPolarHBondContact O-CA 3.4Å; Q151-S202 VanDerWaalsContact O-CB 3.31Å; Q151-S202 WeakPolarHBondContact O-CB 3.42Å; E200-S202 PolarHBondContact O-N 3.37Å; E200-S202 VanDerWaalsContact O-N 3.14Å; S202-S305 PolarHBondContact N-O 2.84Å; S202-S305 PolarHBondContact O-N 2.78Å; S202-S305 PolarHBondContact OG-O 2.92Å; S202-S305 PolarHBondContact OG-OG 3.39Å |
| 203 | V | 80.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.3 | -178.4 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | I114 S150 Q151 T201 F205 F302 Q303 T304 | I114-V203 HydrophobicContact CD1-CB 3.75Å; I114-V203 HydrophobicContact CD1-CG1 3.31Å; I114-V203 HydrophobicContact CD1-CG2 3.64Å; I114-V203 HydrophobicContact CG1-CB 4.29Å; I114-V203 HydrophobicContact CG1-CG1 4.35Å; I114-V203 HydrophobicContact CG1-CG2 3.93Å; S150-V203 CarbonylContact C-O 3.58Å; S150-V203 WeakPolarHBondContact CA-O 3.07Å; Q151-V203 PolarHBondContact N-O 2.87Å; Q151-V203 PolarHBondContact O-N 3.46Å; T201-V203 HydrophobicContact CG2-CG2 4.09Å; V203-F205 HydrophobicContact CG1-CD1 4.27Å; V203-F302 HydrophobicContact CG1-CD2 4.11Å; V203-F302 HydrophobicContact CG1-CE2 3.4Å; V203-F302 VanDerWaalsContact CG1-CE2 3.4Å; V203-F302 HydrophobicContact CG1-CZ 3.78Å; V203-Q303 WeakPolarHBondContact CA-O 3.43Å; V203-T304 HydrophobicContact CG1-CG2 4.23Å; V203-T304 HydrophobicContact CG2-CG2 4.21Å |
| 204 | K | 86.3 | Confident | 86.6 | Confident | 79 Ų | 79 | 42.9 Ų | 42.9 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.9 | 176.5 | -177.6 | -179.9 | 178.5 | -175.9 | 0 | 108.8 | T148 I149 Q303 | T148-K204 HydrophobicContact CG2-CG 4.11Å; I149-K204 WeakPolarHBondContact O-CA 3.49Å; K204-Q303 HydrophobicContact CB-CB 4.41Å; K204-Q303 PolarHBondContact N-O 3.06Å; K204-Q303 PolarHBondContact O-N 3.39Å |
| 205 | F | 87.1 | Confident | 86.7 | Confident | 25 Ų | 25 | 45 Ų | 45 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 162.8 | 175.6 | 63 | -84.6 | 0 | 0 | 0 | 110.1 | I149 V203 V207 L299 F302 | I149-F205 HydrophobicContact CB-CD1 4.32Å; I149-F205 HydrophobicContact CB-CD2 4.39Å; I149-F205 HydrophobicContact CB-CE1 3.87Å; I149-F205 HydrophobicContact CB-CE2 3.96Å; I149-F205 HydrophobicContact CB-CZ 3.68Å; I149-F205 HydrophobicContact CD1-CE2 3.72Å; I149-F205 HydrophobicContact CD1-CZ 3.75Å; I149-F205 HydrophobicContact CG1-CE2 4.26Å; I149-F205 HydrophobicContact CG1-CZ 4.26Å; I149-F205 HydrophobicContact CG2-CD1 4.49Å; I149-F205 HydrophobicContact CG2-CE1 3.68Å; I149-F205 HydrophobicContact CG2-CE2 4.43Å; I149-F205 HydrophobicContact CG2-CZ 3.65Å; I149-F205 PolarHBondContact N-O 3.3Å; I149-F205 PolarHBondContact O-N 2.96Å; V203-F205 HydrophobicContact CG1-CD1 4.27Å; F205-V207 HydrophobicContact CD2-CG2 4.05Å; F205-V207 HydrophobicContact CE2-CG2 3.66Å; F205-L299 HydrophobicContact CD2-CD2 3.98Å; F205-L299 HydrophobicContact CE2-CD2 3.95Å; F205-F302 HydrophobicContact CB-CB 4.44Å; F205-F302 HydrophobicContact CB-CD2 3.94Å; F205-F302 HydrophobicContact CG-CD2 4.46Å |
| 206 | E | 90.4 | Very high | 86.9 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.7 | 174.8 | -68 | 179.8 | -177.1 | 0 | 0 | 110 | V146 F147 T148 H208 L299 E300 K301 | V146-E206 HydrophobicContact CG1-CB 4.49Å; F147-E206 CarbonylContact O-C 3.55Å; F147-E206 VanDerWaalsContact O-CA 3.3Å; F147-E206 WeakPolarHBondContact O-CA 3.49Å; T148-E206 HydrophobicContact CG2-CG 4.47Å; E206-H208 IonicContact OE2-CE1 2.81Å; E206-H208 IonicContact OE2-NE2 2.81Å; E206-H208 PolarHBondContact OE2-NE2 2.93Å; E206-L299 CarbonylContact O-C 3.58Å; E206-L299 WeakPolarHBondContact O-CA 3.45Å; E206-E300 PolarHBondContact N-O 2.83Å; E206-E300 PolarHBondContact O-N 3.03Å; E206-K301 VanDerWaalsContact CD-CD 3.49Å; E206-K301 HydrophobicContact CG-CB 4.36Å; E206-K301 HydrophobicContact CG-CD 4.43Å; E206-K301 WeakPolarHBondContact OE1-CD 3.33Å; E206-K301 IonicContact OE1-NZ 3.94Å; E206-K301 PolarHBondContact OE1-NZ 3.28Å; E206-K301 WeakPolarHBondContact OE2-CD 3.29Å; E206-K301 WeakPolarHBondContact OE2-CE 3.49Å; E206-K301 IonicContact OE2-NZ 2.72Å; E206-K301 PolarHBondContact OE2-NZ 3.28Å |
| 207 | V | 88.9 | Confident | 87.2 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 109.5 | 168 | -173.5 | 0 | 0 | 0 | 0 | 107 | V146 F147 I149 F205 L299 | V146-V207 WeakPolarHBondContact CA-O 3.06Å; F147-V207 HydrophobicContact CB-CB 4.33Å; F147-V207 PolarHBondContact N-O 3.15Å; F147-V207 PolarHBondContact O-N 2.82Å; I149-V207 HydrophobicContact CD1-CG2 3.53Å; I149-V207 HydrophobicContact CG1-CG2 4.21Å; F205-V207 HydrophobicContact CD2-CG2 4.05Å; F205-V207 HydrophobicContact CE2-CG2 3.66Å; V207-L299 HydrophobicContact CB-CD2 4.33Å; V207-L299 HydrophobicContact CG1-CD2 4.32Å; V207-L299 HydrophobicContact CG2-CD2 3.72Å |
| 208 | H | 90.7 | Very high | 87.7 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 20% | 0.199 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.1 | 171.4 | -71.4 | -118.5 | 0 | 0 | 0 | 106.9 | E206 Y297 Q298 E300 | E206-H208 IonicContact OE2-CE1 2.81Å; E206-H208 IonicContact OE2-NE2 2.81Å; E206-H208 PolarHBondContact OE2-NE2 2.93Å; H208-Y297 CarbonylContact O-C 3.56Å; H208-Y297 WeakPolarHBondContact O-CA 3.39Å; H208-Q298 PolarHBondContact N-O 2.91Å; H208-Q298 PolarHBondContact O-N 2.86Å; H208-E300 IonicContact CD2-OE2 2.86Å; H208-E300 IonicContact CE1-OE2 3.66Å; H208-E300 PolarHBondContact CE1-OE2 3.42Å; H208-E300 IonicContact NE2-OE2 2.76Å; H208-E300 PolarHBondContact NE2-OE2 2.95Å |
| 209 | M | 89.6 | Confident | 88.2 | Confident | 50 Ų | 50 | 40.4 Ų | 40.4 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.3 | -174.8 | -178.9 | 175.2 | 59.2 | 0 | 0 | 109.6 | R144 G145 F147 V211 Y295 E296 | R144-M209 CarbonylContact C-O 3.58Å; R144-M209 WeakPolarHBondContact CA-O 3.48Å; G145-M209 PolarHBondContact N-O 3.44Å; G145-M209 PolarHBondContact O-N 3.42Å; F147-M209 HydrophobicContact CE2-CB 4.38Å; F147-M209 HydrophobicContact CE2-CE 3.61Å; F147-M209 HydrophobicContact CZ-CE 4.12Å; M209-V211 HydrophobicContact CE-CG2 3.86Å; M209-V211 HydrophobicContact CG-CG2 3.83Å; M209-V211 HydrophobicContact SD-CG2 3.92Å; M209-Y295 HydrophobicContact CG-CD2 4.28Å; M209-Y295 HydrophobicContact SD-CD2 4.08Å; M209-Y295 HydrophobicContact SD-CG 4.3Å; M209-E296 CarbonylContact C-O 3.52Å; M209-E296 WeakPolarHBondContact CA-O 3.35Å |
| 210 | D | 90.6 | Very high | 88.8 | Confident | 52 Ų | 52 | 44 Ų | 44 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 109.6 | 174.4 | -75.5 | -30 | 0 | 0 | 0 | 108.5 | R144 Y295 E296 | R144-D210 WeakPolarHBondContact CA-OD1 3.24Å; R144-D210 WeakPolarHBondContact CB-OD1 3.34Å; R144-D210 WeakPolarHBondContact CG-OD1 3.34Å; R144-D210 IonicContact CZ-OD1 2.64Å; R144-D210 IonicContact NE-OD1 2.75Å; R144-D210 PolarHBondContact NE-OD1 2.89Å; R144-D210 IonicContact NE-OD2 2.77Å; R144-D210 IonicContact NH2-OD1 3.35Å; R144-D210 IonicContact NH2-OD2 2.97Å; R144-D210 PolarHBondContact NH2-OD2 3.42Å; D210-Y295 CarbonylContact O-C 3.53Å; D210-Y295 WeakPolarHBondContact O-CA 3.16Å; D210-E296 PolarHBondContact N-O 2.9Å; D210-E296 PolarHBondContact O-N 3.23Å |
| 211 | V | 90.2 | Very high | 89.6 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 17% | 0.17 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.6 | -177.8 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | S142 V143 M209 P293 | S142-V211 CarbonylContact C-O 3.44Å; S142-V211 WeakPolarHBondContact CA-O 3.31Å; S142-V211 WeakPolarHBondContact CB-O 3.39Å; V143-V211 PolarHBondContact N-O 3.26Å; V143-V211 PolarHBondContact O-N 2.94Å; M209-V211 HydrophobicContact CE-CG2 3.86Å; M209-V211 HydrophobicContact CG-CG2 3.83Å; M209-V211 HydrophobicContact SD-CG2 3.92Å; V211-P293 HydrophobicContact CG1-CB 4.02Å |
| 212 | S | 91.1 | Very high | 90.2 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 137.4 | 178.7 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | K214 E215 A294 | S212-K214 PolarHBondContact OG-N 3.19Å; S212-E215 VanDerWaalsContact OG-CB 3.24Å; S212-E215 WeakPolarHBondContact OG-CB 3.35Å; S212-E215 PolarHBondContact OG-N 2.86Å; S212-A294 PolarHBondContact N-O 2.95Å |
| 213 | R | 90 | Very high | 90.5 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 21% | 0.211 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -19 | 174.9 | -64.5 | -175.6 | -86.4 | -176 | -11.3 | 112.8 | V139 S140 D141 S142 V143 P267 G268 | V139-R213 VanDerWaalsContact C-NH2 3.33Å; V139-R213 PolarHBondContact O-NH2 3.34Å; S140-R213 VanDerWaalsContact CA-NH2 3.28Å; S140-R213 PolarHBondContact OG-NH2 2.94Å; D141-R213 VanDerWaalsContact N-NH2 3.13Å; D141-R213 VanDerWaalsContact O-CB 3.28Å; D141-R213 WeakPolarHBondContact O-CB 3.41Å; D141-R213 PolarHBondContact O-N 3.31Å; S142-R213 PolarHBondContact O-NE 3.46Å; S142-R213 VanDerWaalsContact O-NE 3.13Å; S142-R213 PolarHBondContact O-NH2 3.35Å; V143-R213 HydrophobicContact CG2-CG 3.72Å; R213-P267 HydrophobicContact CB-CB 4.08Å; R213-G268 PolarHBondContact O-N 2.76Å |
| 214 | K | 91.9 | Very high | 90.6 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 14% | 0.143 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -25.6 | -174.9 | -72.8 | -179.8 | -178.9 | 163.7 | 0 | 113 | D141 S212 K263 F264 P267 | D141-K214 VanDerWaalsContact CG-NZ 3.3Å; D141-K214 WeakPolarHBondContact OD1-CE 3.16Å; D141-K214 IonicContact OD1-NZ 2.71Å; D141-K214 PolarHBondContact OD1-NZ 3.06Å; D141-K214 IonicContact OD2-NZ 3.46Å; D141-K214 PolarHBondContact OD2-NZ 2.87Å; D141-K214 VanDerWaalsContact OD2-NZ 3.14Å; S212-K214 PolarHBondContact OG-N 3.19Å; K214-K263 HydrophobicContact CB-CG 4.4Å; K214-F264 WeakPolarHBondContact CB-O 3.31Å; K214-F264 WeakPolarHBondContact CG-O 3.29Å; K214-F264 WeakPolarHBondContact O-CD2 3.19Å; K214-F264 PolarHBondContact O-N 2.84Å; K214-P267 HydrophobicContact CG-CB 4.21Å |
| 215 | E | 94.7 | Very high | 90.6 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137.8 | -176.2 | -167.2 | -171.2 | 159.4 | 0 | 0 | 112.4 | S212 K217 S261 I262 A294 | S212-E215 VanDerWaalsContact OG-CB 3.24Å; S212-E215 WeakPolarHBondContact OG-CB 3.35Å; S212-E215 PolarHBondContact OG-N 2.86Å; E215-K217 IonicContact OE1-NZ 3.41Å; E215-K217 PolarHBondContact OE1-NZ 3.23Å; E215-S261 WeakPolarHBondContact OE1-CB 3.43Å; E215-I262 CarbonylContact C-O 3.52Å; E215-I262 WeakPolarHBondContact CA-O 3.41Å; E215-A294 HydrophobicContact CB-CB 3.74Å; E215-A294 HydrophobicContact CG-CB 3.68Å; E215-A294 WeakPolarHBondContact O-CB 3.46Å; E215-A294 PolarHBondContact O-N 3.21Å |
| 216 | L | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.1 | 177.5 | -176.5 | 77.5 | 0 | 0 | 0 | 109.4 | V218 F238 S261 I262 F264 A270 L273 A274 V291 G292 | L216-V218 HydrophobicContact CD2-CG2 4.32Å; L216-F238 HydrophobicContact CD2-CD1 4.11Å; L216-F238 HydrophobicContact CD2-CE1 3.59Å; L216-F238 HydrophobicContact CD2-CZ 4.43Å; L216-S261 WeakPolarHBondContact O-CA 3.3Å; L216-I262 HydrophobicContact CB-CB 4.5Å; L216-I262 PolarHBondContact N-O 2.97Å; L216-I262 PolarHBondContact O-N 2.85Å; L216-F264 HydrophobicContact CB-CE2 3.93Å; L216-F264 HydrophobicContact CD2-CE2 4.18Å; L216-A270 HydrophobicContact CB-CB 4.11Å; L216-A270 WeakPolarHBondContact CD1-O 3.34Å; L216-L273 HydrophobicContact CD1-CB 4.11Å; L216-L273 HydrophobicContact CD2-CB 3.94Å; L216-L273 HydrophobicContact CD2-CD1 3.95Å; L216-A274 HydrophobicContact CD1-CB 3.82Å; L216-V291 HydrophobicContact CD1-CB 4.21Å; L216-V291 HydrophobicContact CD2-CB 4.08Å; L216-V291 HydrophobicContact CD2-CG1 4.05Å; L216-V291 HydrophobicContact CG-CB 4.31Å; L216-G292 VanDerWaalsContact CD1-O 3.24Å; L216-G292 WeakPolarHBondContact CD1-O 3.25Å |
| 217 | K | 96.2 | Very high | 90.8 | Very high | 94 Ų | 94 | 48 Ų | 48 | 41% | 0.409 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 135.7 | 169.9 | -73 | -59.9 | -172.5 | -149.5 | 0 | 110.4 | E215 S261 V291 G292 A294 | E215-K217 IonicContact OE1-NZ 3.41Å; E215-K217 PolarHBondContact OE1-NZ 3.23Å; K217-S261 PolarHBondContact NZ-OG 3.36Å; K217-V291 CarbonylContact O-C 3.52Å; K217-V291 WeakPolarHBondContact O-CA 3.39Å; K217-G292 PolarHBondContact N-O 2.82Å; K217-G292 PolarHBondContact O-N 2.86Å; K217-A294 HydrophobicContact CG-CB 3.89Å |
| 218 | V | 95.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.7 | 178.5 | -170.5 | 0 | 0 | 0 | 0 | 108.5 | L216 I221 F238 T259 G260 I262 V289 K290 V291 | L216-V218 HydrophobicContact CD2-CG2 4.32Å; V218-I221 HydrophobicContact CB-CD1 4.22Å; V218-I221 HydrophobicContact CG1-CD1 3.91Å; V218-I221 HydrophobicContact CG1-CG1 3.96Å; V218-F238 HydrophobicContact CG1-CZ 4.3Å; V218-F238 HydrophobicContact CG2-CE1 4.4Å; V218-F238 HydrophobicContact CG2-CE2 4.28Å; V218-F238 HydrophobicContact CG2-CZ 3.77Å; V218-T259 CarbonylContact O-C 3.54Å; V218-T259 VanDerWaalsContact O-CA 3.27Å; V218-T259 WeakPolarHBondContact O-CA 3.2Å; V218-G260 PolarHBondContact N-O 2.88Å; V218-G260 PolarHBondContact O-N 3.41Å; V218-I262 HydrophobicContact CG2-CD1 3.65Å; V218-I262 HydrophobicContact CG2-CG1 3.97Å; V218-V289 HydrophobicContact CG1-CB 3.77Å; V218-V289 HydrophobicContact CG1-CG1 4.45Å; V218-V289 HydrophobicContact CG1-CG2 3.51Å; V218-K290 CarbonylContact C-O 3.57Å; V218-K290 WeakPolarHBondContact CA-O 3.37Å; V218-V291 HydrophobicContact CG1-CG1 4.31Å; V218-V291 HydrophobicContact CG2-CG1 4.17Å |
| 219 | S | 94.8 | Very high | 90.9 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 166 | -178.7 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | K290 | S219-K290 PolarHBondContact N-O 2.87Å; S219-K290 PolarHBondContact O-N 3.41Å; S219-K290 WeakPolarHBondContact OG-CB 3.13Å |
| 220 | N | 92.5 | Very high | 91.1 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 60% | 0.599 | 29% | 0.293 | S | S | * | . | trans | 63.5 | 40.9 | -175.8 | -165.3 | 53.3 | 0 | 0 | 0 | 112.2 | P222 G258 | N220-P222 WeakPolarHBondContact O-CD 3.37Å; N220-G258 PolarHBondContact N-O 2.68Å | ||
| 221 | I | 91.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | trans | -82.2 | 120.4 | 175.6 | -58.9 | 163.4 | 0 | 0 | 0 | 107.9 | V218 T230 L234 Y253 G258 L283 V289 | V218-I221 HydrophobicContact CB-CD1 4.22Å; V218-I221 HydrophobicContact CG1-CD1 3.91Å; V218-I221 HydrophobicContact CG1-CG1 3.96Å; I221-T230 HydrophobicContact CG2-CG2 3.99Å; I221-L234 HydrophobicContact CD1-CD1 4.07Å; I221-L234 HydrophobicContact CD1-CD2 4.45Å; I221-Y253 HydrophobicContact CB-CE2 3.86Å; I221-Y253 HydrophobicContact CD1-CD2 3.68Å; I221-Y253 HydrophobicContact CD1-CE2 3.65Å; I221-Y253 HydrophobicContact CG1-CE2 4.37Å; I221-Y253 HydrophobicContact CG2-CE2 3.81Å; I221-G258 PolarHBondContact N-O 3.42Å; I221-G258 VanDerWaalsContact N-O 3.13Å; I221-L283 HydrophobicContact CG2-CD1 4.21Å; I221-V289 HydrophobicContact CG1-CG1 4.2Å | ||
| 222 | P | 88.3 | Confident | 91.4 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 31% | 0.312 | 30% | 0.303 | S | S | . | . | trans | -64 | 137.8 | 178.9 | -21.4 | 32.9 | 0 | 0 | 0 | 112 | N220 A224 V287 | N220-P222 WeakPolarHBondContact O-CD 3.37Å; P222-A224 PolarHBondContact O-N 3.22Å; P222-V287 HydrophobicContact CG-CG1 4.4Å; P222-V287 HydrophobicContact CG-CG2 4.43Å | ||
| 223 | P | 84.3 | Confident | 91.5 | Very high | 107 Ų | 107 | 59.7 Ų | 59.7 | 70% | 0.695 | 31% | 0.31 | S | S | * | . | trans | -79.1 | 59.6 | 175.6 | 34.8 | -36.3 | 0 | 0 | 0 | 110.6 | ||||
| 224 | A | 81.9 | Confident | 91.7 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | trans | -83.3 | -22.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P222 E284 | P222-A224 PolarHBondContact O-N 3.22Å; A224-E284 HydrophobicContact CB-CG 4.37Å | ||
| 225 | M | 86.9 | Confident | 91.8 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -149.2 | 164.7 | -168 | 62.9 | -160.3 | -64.2 | 0 | 0 | 111.9 | R229 T230 R233 L283 | M225-R229 HydrophobicContact CE-CB 3.6Å; M225-R229 HydrophobicContact CE-CG 3.28Å; M225-R229 WeakPolarHBondContact CE-O 3.25Å; M225-T230 WeakPolarHBondContact CG-OG1 3.03Å; M225-T230 PolarHBondContact O-OG1 2.96Å; M225-R233 HydrophobicContact CE-CG 3.65Å; M225-R233 HydrophobicContact SD-CG 4.12Å; M225-L283 HydrophobicContact SD-CB 4.11Å; M225-L283 HydrophobicContact SD-CD2 4.16Å |
| 226 | P | 90.6 | Very high | 91.8 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 58% | 0.584 | 32% | 0.319 | S | S | * | . | trans | -58.5 | 156.4 | 176.6 | -23.9 | 34.7 | 0 | 0 | 0 | 112.7 | D228 R229 T230 | P226-D228 PolarHBondContact O-N 2.77Å; P226-R229 PolarHBondContact O-N 3.05Å; P226-T230 PolarHBondContact O-N 3.36Å; P226-T230 PolarHBondContact O-OG1 2.91Å | ||
| 227 | Q | 91.1 | Very high | 91.7 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -52.5 | -59.6 | -175.5 | -175.6 | 174.8 | -19.2 | 0 | 0 | 112.4 | R229 T230 E231 Y253 V255 | Q227-R229 PolarHBondContact O-N 3.04Å; Q227-T230 WeakPolarHBondContact O-CA 3.19Å; Q227-T230 VanDerWaalsContact O-CB 3.27Å; Q227-T230 WeakPolarHBondContact O-CB 3.34Å; Q227-T230 PolarHBondContact O-N 3.4Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.22Å; Q227-E231 PolarHBondContact NE2-OE1 3.13Å; Q227-E231 PolarHBondContact O-N 3.38Å; Q227-Y253 HydrophobicContact CG-CD1 4.08Å; Q227-Y253 PolarHBondContact NE2-O 2.8Å; Q227-Y253 VanDerWaalsContact NE2-O 3.07Å; Q227-V255 HydrophobicContact CB-CG2 3.6Å; Q227-V255 HydrophobicContact CG-CG2 3.83Å |
| 228 | D | 90.8 | Very high | 91.6 | Very high | 117 Ų | 117 | 56.3 Ų | 56.3 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -53.2 | -44.7 | -177.3 | -47 | -10.5 | 0 | 0 | 0 | 111.2 | P226 T230 E231 D232 | P226-D228 PolarHBondContact O-N 2.77Å; D228-T230 VanDerWaalsContact C-N 3.29Å; D228-T230 PolarHBondContact O-N 2.93Å; D228-E231 PolarHBondContact O-N 2.82Å; D228-D232 PolarHBondContact O-N 2.94Å |
| 229 | R | 91.9 | Very high | 91.5 | Very high | 127 Ų | 127 | 58.4 Ų | 58.4 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.9 | -29.1 | -179.4 | -153.5 | -170.2 | 174.5 | -167.7 | 3.6 | 111.8 | M225 P226 Q227 R233 | M225-R229 HydrophobicContact CE-CB 3.6Å; M225-R229 HydrophobicContact CE-CG 3.28Å; M225-R229 WeakPolarHBondContact CE-O 3.25Å; P226-R229 PolarHBondContact O-N 3.05Å; Q227-R229 PolarHBondContact O-N 3.04Å; R229-R233 VanDerWaalsContact O-CG 3.28Å; R229-R233 WeakPolarHBondContact O-CG 3.45Å; R229-R233 PolarHBondContact O-N 3.33Å |
| 230 | T | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.4 | -44.4 | 175.6 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | I221 M225 P226 Q227 D228 R233 L234 Y253 L283 | I221-T230 HydrophobicContact CG2-CG2 3.99Å; M225-T230 WeakPolarHBondContact CG-OG1 3.03Å; M225-T230 PolarHBondContact O-OG1 2.96Å; P226-T230 PolarHBondContact O-N 3.36Å; P226-T230 PolarHBondContact O-OG1 2.91Å; Q227-T230 WeakPolarHBondContact O-CA 3.19Å; Q227-T230 VanDerWaalsContact O-CB 3.27Å; Q227-T230 WeakPolarHBondContact O-CB 3.34Å; Q227-T230 PolarHBondContact O-N 3.4Å; D228-T230 VanDerWaalsContact C-N 3.29Å; D228-T230 PolarHBondContact O-N 2.93Å; T230-R233 PolarHBondContact O-N 3.36Å; T230-R233 VanDerWaalsContact O-N 3.17Å; T230-L234 HydrophobicContact CG2-CD1 4.05Å; T230-L234 HydrophobicContact CG2-CG 4.4Å; T230-L234 VanDerWaalsContact O-CG 3.29Å; T230-L234 WeakPolarHBondContact O-CG 3.09Å; T230-L234 PolarHBondContact O-N 3.1Å; T230-Y253 HydrophobicContact CG2-CD1 3.8Å; T230-Y253 HydrophobicContact CG2-CE1 3.64Å; T230-Y253 HydrophobicContact CG2-CG 4.31Å; T230-L283 HydrophobicContact CG2-CD2 4.3Å |
| 231 | E | 93.6 | Very high | 91.2 | Very high | 42 Ų | 42 | 61 Ų | 61 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 176.8 | -69.6 | 173.2 | -176.2 | 0 | 0 | 110.9 | Q227 D228 R233 L234 E235 V251 Y253 | Q227-E231 WeakPolarHBondContact CG-OE1 3.22Å; Q227-E231 PolarHBondContact NE2-OE1 3.13Å; Q227-E231 PolarHBondContact O-N 3.38Å; D228-E231 PolarHBondContact O-N 2.82Å; E231-R233 VanDerWaalsContact C-N 3.29Å; E231-R233 PolarHBondContact O-N 2.79Å; E231-L234 WeakPolarHBondContact O-CB 3.32Å; E231-L234 PolarHBondContact O-N 3.46Å; E231-L234 VanDerWaalsContact O-N 3.13Å; E231-E235 PolarHBondContact O-N 3.46Å; E231-V251 HydrophobicContact CB-CG1 4.25Å; E231-V251 HydrophobicContact CG-CG1 4.31Å; E231-Y253 PolarHBondContact OE1-N 2.92Å |
| 232 | D | 94 | Very high | 90.9 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -54.7 | -43.7 | 174.7 | -70.5 | -18.9 | 0 | 0 | 0 | 112.1 | D228 E235 I236 | D228-D232 PolarHBondContact O-N 2.94Å; D232-E235 PolarHBondContact O-N 3.26Å; D232-I236 WeakPolarHBondContact O-CB 3.37Å; D232-I236 WeakPolarHBondContact O-CD1 3.42Å; D232-I236 WeakPolarHBondContact O-CG1 3.33Å; D232-I236 PolarHBondContact O-N 2.94Å |
| 233 | R | 93.8 | Very high | 90.8 | Very high | 91 Ų | 91 | 67.3 Ų | 67.3 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.1 | -35.9 | -179.4 | -74.3 | -58.3 | -165.5 | -164.6 | 2 | 112.7 | M225 R229 T230 E231 S237 L283 | M225-R233 HydrophobicContact CE-CG 3.65Å; M225-R233 HydrophobicContact SD-CG 4.12Å; R229-R233 VanDerWaalsContact O-CG 3.28Å; R229-R233 WeakPolarHBondContact O-CG 3.45Å; R229-R233 PolarHBondContact O-N 3.33Å; T230-R233 PolarHBondContact O-N 3.36Å; T230-R233 VanDerWaalsContact O-N 3.17Å; E231-R233 VanDerWaalsContact C-N 3.29Å; E231-R233 PolarHBondContact O-N 2.79Å; R233-S237 VanDerWaalsContact O-CB 3.23Å; R233-S237 WeakPolarHBondContact O-CB 3.15Å; R233-S237 PolarHBondContact O-N 2.87Å; R233-S237 PolarHBondContact O-OG 2.67Å; R233-L283 HydrophobicContact CB-CD2 3.77Å |
| 234 | L | 93.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -50.9 | 173.7 | -70.4 | 168.2 | 0 | 0 | 0 | 109.1 | I221 T230 E231 I236 S237 F238 V251 Y253 V281 | I221-L234 HydrophobicContact CD1-CD1 4.07Å; I221-L234 HydrophobicContact CD1-CD2 4.45Å; T230-L234 HydrophobicContact CG2-CD1 4.05Å; T230-L234 HydrophobicContact CG2-CG 4.4Å; T230-L234 VanDerWaalsContact O-CG 3.29Å; T230-L234 WeakPolarHBondContact O-CG 3.09Å; T230-L234 PolarHBondContact O-N 3.1Å; E231-L234 WeakPolarHBondContact O-CB 3.32Å; E231-L234 PolarHBondContact O-N 3.46Å; E231-L234 VanDerWaalsContact O-N 3.13Å; L234-I236 VanDerWaalsContact C-N 3.34Å; L234-I236 PolarHBondContact O-N 3.48Å; L234-S237 PolarHBondContact O-N 2.79Å; L234-F238 HydrophobicContact CB-CD2 4.49Å; L234-F238 HydrophobicContact CD2-CD2 4.41Å; L234-F238 HydrophobicContact CD2-CE2 3.9Å; L234-F238 WeakPolarHBondContact O-CB 3.29Å; L234-F238 VanDerWaalsContact O-CD2 3.26Å; L234-F238 WeakPolarHBondContact O-CD2 3.49Å; L234-F238 PolarHBondContact O-N 2.76Å; L234-V251 HydrophobicContact CB-CG1 4.02Å; L234-V251 HydrophobicContact CD1-CG1 4.22Å; L234-Y253 HydrophobicContact CD1-CD2 4.43Å; L234-Y253 HydrophobicContact CD1-CG 4.45Å; L234-V281 HydrophobicContact CD2-CG1 3.84Å; L234-V281 HydrophobicContact CD2-CG2 4.18Å |
| 235 | E | 94.9 | Very high | 91.3 | Very high | 86 Ų | 86 | 61.7 Ų | 61.7 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.8 | -49.8 | 177.7 | -167.8 | -178.3 | 171.2 | 0 | 0 | 111.9 | E231 D232 S237 F238 S239 V248 V251 | E231-E235 PolarHBondContact O-N 3.46Å; D232-E235 PolarHBondContact O-N 3.26Å; E235-S237 VanDerWaalsContact C-N 3.3Å; E235-S237 PolarHBondContact O-N 3.14Å; E235-F238 PolarHBondContact O-N 2.64Å; E235-S239 VanDerWaalsContact O-CB 3.24Å; E235-S239 WeakPolarHBondContact O-CB 3.1Å; E235-S239 PolarHBondContact O-N 2.86Å; E235-S239 PolarHBondContact O-OG 2.74Å; E235-V248 HydrophobicContact CG-CB 4Å; E235-V248 HydrophobicContact CG-CG1 3.97Å; E235-V248 HydrophobicContact CG-CG2 4.48Å; E235-V251 HydrophobicContact CB-CG2 3.76Å; E235-V251 HydrophobicContact CG-CG2 4.18Å |
| 236 | I | 94 | Very high | 91.5 | Very high | 76 Ų | 76 | 61.4 Ų | 61.4 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -34.2 | 177.7 | -66.8 | 165.2 | 0 | 0 | 0 | 112.2 | D232 L234 S239 R240 | D232-I236 WeakPolarHBondContact O-CB 3.37Å; D232-I236 WeakPolarHBondContact O-CD1 3.42Å; D232-I236 WeakPolarHBondContact O-CG1 3.33Å; D232-I236 PolarHBondContact O-N 2.94Å; L234-I236 VanDerWaalsContact C-N 3.34Å; L234-I236 PolarHBondContact O-N 3.48Å; I236-S239 WeakPolarHBondContact CA-OG 3.28Å; I236-S239 PolarHBondContact O-OG 2.9Å; I236-S239 VanDerWaalsContact O-OG 3.05Å; I236-R240 WeakPolarHBondContact O-CG 3.48Å |
| 237 | S | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76.6 | -37.2 | -178.7 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | R233 L234 E235 Y279 N282 | R233-S237 VanDerWaalsContact O-CB 3.23Å; R233-S237 WeakPolarHBondContact O-CB 3.15Å; R233-S237 PolarHBondContact O-N 2.87Å; R233-S237 PolarHBondContact O-OG 2.67Å; L234-S237 PolarHBondContact O-N 2.79Å; E235-S237 VanDerWaalsContact C-N 3.3Å; E235-S237 PolarHBondContact O-N 3.14Å; S237-Y279 PolarHBondContact O-OH 3.11Å; S237-N282 PolarHBondContact OG-N 3.13Å; S237-N282 VanDerWaalsContact OG-N 3.08Å |
| 238 | F | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -86.8 | -16.7 | -178.5 | -77.4 | -88.6 | 0 | 0 | 0 | 113.3 | L216 V218 L234 E235 R240 G245 G246 V248 I262 F264 L273 Y279 V281 V289 V291 | L216-F238 HydrophobicContact CD2-CD1 4.11Å; L216-F238 HydrophobicContact CD2-CE1 3.59Å; L216-F238 HydrophobicContact CD2-CZ 4.43Å; V218-F238 HydrophobicContact CG1-CZ 4.3Å; V218-F238 HydrophobicContact CG2-CE1 4.4Å; V218-F238 HydrophobicContact CG2-CE2 4.28Å; V218-F238 HydrophobicContact CG2-CZ 3.77Å; L234-F238 HydrophobicContact CB-CD2 4.49Å; L234-F238 HydrophobicContact CD2-CD2 4.41Å; L234-F238 HydrophobicContact CD2-CE2 3.9Å; L234-F238 WeakPolarHBondContact O-CB 3.29Å; L234-F238 VanDerWaalsContact O-CD2 3.26Å; L234-F238 WeakPolarHBondContact O-CD2 3.49Å; L234-F238 PolarHBondContact O-N 2.76Å; E235-F238 PolarHBondContact O-N 2.64Å; F238-R240 VanDerWaalsContact C-N 3.28Å; F238-R240 PolarHBondContact O-N 2.76Å; F238-G245 CarbonylContact O-C 3.52Å; F238-G245 WeakPolarHBondContact O-CA 3.32Å; F238-G246 PolarHBondContact O-N 3.2Å; F238-V248 HydrophobicContact CB-CG2 4.14Å; F238-I262 HydrophobicContact CB-CD1 3.94Å; F238-I262 HydrophobicContact CB-CG2 4.16Å; F238-I262 HydrophobicContact CD1-CD1 3.71Å; F238-I262 HydrophobicContact CD2-CD1 3Å; F238-I262 HydrophobicContact CD2-CG1 4.49Å; F238-I262 HydrophobicContact CE1-CD1 3.85Å; F238-I262 HydrophobicContact CE2-CD1 3.17Å; F238-I262 HydrophobicContact CG-CD1 3.27Å; F238-I262 HydrophobicContact CG-CG2 4.46Å; F238-I262 HydrophobicContact CZ-CD1 3.59Å; F238-F264 HydrophobicContact CB-CE1 4.2Å; F238-F264 HydrophobicContact CB-CZ 4.1Å; F238-F264 HydrophobicContact CD1-CZ 4.02Å; F238-F264 HydrophobicContact CG-CZ 4.49Å; F238-L273 HydrophobicContact CD1-CD1 3.92Å; F238-L273 HydrophobicContact CE1-CD1 4.25Å; F238-Y279 AromaticContact CD1-CD1 3.83Å; F238-Y279 HydrophobicContact CD1-CD1 3.83Å; F238-Y279 AromaticContact CD1-CE1 3.6Å; F238-Y279 HydrophobicContact CD1-CE1 3.6Å; F238-Y279 HydrophobicContact CD1-CG 4.42Å; F238-Y279 HydrophobicContact CD2-CD1 4.29Å; F238-Y279 HydrophobicContact CD2-CE1 4.06Å; F238-Y279 AromaticContact CE1-CD1 3.29Å; F238-Y279 HydrophobicContact CE1-CD1 3.29Å; F238-Y279 HydrophobicContact CE1-CD2 4.36Å; F238-Y279 AromaticContact CE1-CE1 3.61Å; F238-Y279 HydrophobicContact CE1-CE1 3.61Å; F238-Y279 AromaticContact CE1-CG 3.7Å; F238-Y279 HydrophobicContact CE1-CG 3.7Å; F238-Y279 AromaticContact CE2-CD1 3.83Å; F238-Y279 HydrophobicContact CE2-CD1 3.83Å; F238-Y279 HydrophobicContact CE2-CE1 4.07Å; F238-Y279 HydrophobicContact CG-CD1 4.34Å; F238-Y279 AromaticContact CG-CE1 3.88Å; F238-Y279 HydrophobicContact CG-CE1 3.88Å; F238-Y279 AromaticContact CZ-CD1 3.32Å; F238-Y279 HydrophobicContact CZ-CD1 3.32Å; F238-Y279 AromaticContact CZ-CE1 3.87Å; F238-Y279 HydrophobicContact CZ-CE1 3.87Å; F238-Y279 AromaticContact CZ-CG 3.98Å; F238-Y279 HydrophobicContact CZ-CG 3.98Å; F238-V281 HydrophobicContact CD2-CG2 4.33Å; F238-V281 HydrophobicContact CE2-CG2 3.52Å; F238-V281 HydrophobicContact CZ-CG2 4.04Å; F238-V289 HydrophobicContact CZ-CG2 4.24Å; F238-V291 HydrophobicContact CE1-CG1 4.07Å; F238-V291 HydrophobicContact CZ-CG1 3.97Å |
| 239 | S | 94.2 | Very high | 92.1 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -73.6 | -14.2 | 169.8 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | E235 I236 P241 G246 | E235-S239 VanDerWaalsContact O-CB 3.24Å; E235-S239 WeakPolarHBondContact O-CB 3.1Å; E235-S239 PolarHBondContact O-N 2.86Å; E235-S239 PolarHBondContact O-OG 2.74Å; I236-S239 WeakPolarHBondContact CA-OG 3.28Å; I236-S239 PolarHBondContact O-OG 2.9Å; I236-S239 VanDerWaalsContact O-OG 3.05Å; S239-P241 WeakPolarHBondContact O-CD 3.12Å; S239-G246 VanDerWaalsContact CA-O 3.3Å; S239-G246 WeakPolarHBondContact CA-O 3.41Å |
| 240 | R | 91.9 | Very high | 92.2 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 39% | 0.389 | 30% | 0.295 | S | S | . | . | trans | -73.9 | 112.6 | -175.6 | -74.6 | 171.7 | -178.7 | -118.4 | 0 | 112.9 | I236 F238 T242 R243 G245 | I236-R240 WeakPolarHBondContact O-CG 3.48Å; F238-R240 VanDerWaalsContact C-N 3.28Å; F238-R240 PolarHBondContact O-N 2.76Å; R240-T242 VanDerWaalsContact C-N 3.26Å; R240-T242 PolarHBondContact O-N 3.43Å; R240-R243 PolarHBondContact O-N 3.13Å; R240-G245 WeakPolarHBondContact O-CA 3.16Å; R240-G245 PolarHBondContact O-N 2.94Å | ||
| 241 | P | 87.7 | Confident | 92.3 | Very high | 107 Ų | 107 | 56.4 Ų | 56.4 | 70% | 0.695 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -66.6 | -29.3 | 178.3 | -20.2 | 34.6 | 0 | 0 | 0 | 112.7 | S239 R243 G244 | S239-P241 WeakPolarHBondContact O-CD 3.12Å; P241-R243 PolarHBondContact O-N 3.44Å; P241-R243 VanDerWaalsContact O-N 3.15Å; P241-G244 PolarHBondContact O-N 2.86Å |
| 242 | T | 86.4 | Confident | 92.3 | Very high | 128 Ų | 128 | 59 Ų | 59 | 79% | 0.785 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -61.3 | -23.4 | 179 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | R240 | R240-T242 VanDerWaalsContact C-N 3.26Å; R240-T242 PolarHBondContact O-N 3.43Å |
| 243 | R | 84.8 | Confident | 92.3 | Very high | 59 Ų | 59 | 55 Ų | 55 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -99.5 | 3.5 | 176.8 | -66.1 | -176.1 | 176.8 | -171.8 | -3.5 | 112.4 | R240 P241 G245 Y279 K280 N282 E286 | R240-R243 PolarHBondContact O-N 3.13Å; P241-R243 PolarHBondContact O-N 3.44Å; P241-R243 VanDerWaalsContact O-N 3.15Å; R243-G245 VanDerWaalsContact C-N 3.34Å; R243-Y279 HydrophobicContact CB-CE2 4Å; R243-Y279 VanDerWaalsContact CB-OH 3.27Å; R243-Y279 WeakPolarHBondContact CB-OH 3.44Å; R243-Y279 WeakPolarHBondContact O-CE2 3.41Å; R243-K280 PolarHBondContact NH1-O 2.81Å; R243-N282 VanDerWaalsContact NH1-CG 3.33Å; R243-N282 PolarHBondContact NH1-ND2 2.8Å; R243-N282 PolarHBondContact NH1-OD1 2.87Å; R243-N282 PolarHBondContact NH2-ND2 2.78Å; R243-N282 PolarHBondContact NH2-OD1 2.94Å; R243-E286 IonicContact CZ-OE1 3.67Å; R243-E286 IonicContact NH1-OE1 3.93Å; R243-E286 IonicContact NH2-OE1 3.91Å; R243-E286 PolarHBondContact NH2-OE1 2.65Å |
| 244 | G | 86.4 | Confident | 92.3 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 10.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P241 | P241-G244 PolarHBondContact O-N 2.86Š|
| 245 | G | 89.9 | Confident | 92.1 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | trans | -71.1 | -175.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F238 R240 R243 | F238-G245 CarbonylContact O-C 3.52Å; F238-G245 WeakPolarHBondContact O-CA 3.32Å; R240-G245 WeakPolarHBondContact O-CA 3.16Å; R240-G245 PolarHBondContact O-N 2.94Å; R243-G245 VanDerWaalsContact C-N 3.34Å | ||
| 246 | G | 92.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | trans | -166.7 | 175 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F238 S239 V248 F264 | F238-G246 PolarHBondContact O-N 3.2Å; S239-G246 VanDerWaalsContact CA-O 3.3Å; S239-G246 WeakPolarHBondContact CA-O 3.41Å; G246-V248 WeakPolarHBondContact O-CG2 3.4Å; G246-V248 PolarHBondContact O-N 3.49Å; G246-V248 VanDerWaalsContact O-N 3.16Å; G246-F264 WeakPolarHBondContact O-CD1 3.46Å | ||
| 247 | E | 93.9 | Very high | 91.7 | Very high | 118 Ų | 118 | 62.3 Ų | 62.3 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | trans | -53.9 | 120.3 | -177.9 | -169.1 | 167.5 | -166.6 | 0 | 0 | 111.8 | F264 L265 | E247-F264 WeakPolarHBondContact O-CA 3.38Å; E247-L265 HydrophobicContact CB-CB 4.28Å; E247-L265 VanDerWaalsContact CD-CD2 3.49Å; E247-L265 HydrophobicContact CG-CB 4.19Å; E247-L265 HydrophobicContact CG-CD2 4.1Å; E247-L265 PolarHBondContact O-N 3.07Å; E247-L265 WeakPolarHBondContact OE2-CD2 3.07Å | ||
| 248 | V | 95.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.4 | -177.4 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | E235 F238 G246 V251 I262 F264 | E235-V248 HydrophobicContact CG-CB 4Å; E235-V248 HydrophobicContact CG-CG1 3.97Å; E235-V248 HydrophobicContact CG-CG2 4.48Å; F238-V248 HydrophobicContact CB-CG2 4.14Å; G246-V248 WeakPolarHBondContact O-CG2 3.4Å; G246-V248 PolarHBondContact O-N 3.49Å; G246-V248 VanDerWaalsContact O-N 3.16Å; V248-V251 HydrophobicContact CG1-CG2 3.69Å; V248-I262 HydrophobicContact CG1-CG2 3.92Å; V248-I262 HydrophobicContact CG2-CG2 4.14Å; V248-F264 HydrophobicContact CG2-CD1 4.14Å; V248-F264 HydrophobicContact CG2-CE1 3.91Å |
| 249 | E | 94.2 | Very high | 91.6 | Very high | 89 Ų | 89 | 65.6 Ų | 65.6 | 42% | 0.416 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -43.6 | 175.9 | -175.8 | -172.3 | 161.8 | 0 | 0 | 110.6 | K263 | E249-K263 HydrophobicContact CB-CB 4.42Å; E249-K263 HydrophobicContact CB-CG 4.41Å; E249-K263 VanDerWaalsContact CD-NZ 3.33Å; E249-K263 HydrophobicContact CG-CD 4.46Å; E249-K263 PolarHBondContact N-O 2.94Å; E249-K263 IonicContact OE1-NZ 3.36Å; E249-K263 PolarHBondContact OE1-NZ 3.32Å; E249-K263 VanDerWaalsContact OE2-CD 3.25Å; E249-K263 WeakPolarHBondContact OE2-CD 3.48Å; E249-K263 WeakPolarHBondContact OE2-CE 3.26Å; E249-K263 IonicContact OE2-NZ 3.8Å; E249-K263 PolarHBondContact OE2-NZ 2.71Å |
| 250 | S | 94.1 | Very high | 91.6 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 155.9 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | K263 | S250-K263 PolarHBondContact N-O 2.82Å; S250-K263 PolarHBondContact O-N 3.2Å; S250-K263 WeakPolarHBondContact OG-CB 3.42Å |
| 251 | V | 95.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.6 | 172.2 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | E231 L234 E235 V248 S261 I262 | E231-V251 HydrophobicContact CB-CG1 4.25Å; E231-V251 HydrophobicContact CG-CG1 4.31Å; L234-V251 HydrophobicContact CB-CG1 4.02Å; L234-V251 HydrophobicContact CD1-CG1 4.22Å; E235-V251 HydrophobicContact CB-CG2 3.76Å; E235-V251 HydrophobicContact CG-CG2 4.18Å; V248-V251 HydrophobicContact CG1-CG2 3.69Å; V251-S261 WeakPolarHBondContact CA-O 3.34Å; V251-I262 HydrophobicContact CG2-CG1 4.5Å; V251-I262 HydrophobicContact CG2-CG2 4.5Å |
| 252 | D | 94.2 | Very high | 92.1 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.6 | 172.4 | 178.5 | 21.8 | 0 | 0 | 0 | 108.3 | G260 S261 | D252-G260 CarbonylContact O-C 3.54Å; D252-G260 WeakPolarHBondContact O-CA 3.47Å; D252-S261 PolarHBondContact N-O 3.46Å; D252-S261 PolarHBondContact O-N 2.8Å |
| 253 | Y | 94.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 124.9 | -177 | 174.3 | -120.8 | 0 | 0 | 0 | 111.8 | I221 Q227 T230 E231 L234 V255 T259 | I221-Y253 HydrophobicContact CB-CE2 3.86Å; I221-Y253 HydrophobicContact CD1-CD2 3.68Å; I221-Y253 HydrophobicContact CD1-CE2 3.65Å; I221-Y253 HydrophobicContact CG1-CE2 4.37Å; I221-Y253 HydrophobicContact CG2-CE2 3.81Å; Q227-Y253 HydrophobicContact CG-CD1 4.08Å; Q227-Y253 PolarHBondContact NE2-O 2.8Å; Q227-Y253 VanDerWaalsContact NE2-O 3.07Å; T230-Y253 HydrophobicContact CG2-CD1 3.8Å; T230-Y253 HydrophobicContact CG2-CE1 3.64Å; T230-Y253 HydrophobicContact CG2-CG 4.31Å; E231-Y253 PolarHBondContact OE1-N 2.92Å; L234-Y253 HydrophobicContact CD1-CD2 4.43Å; L234-Y253 HydrophobicContact CD1-CG 4.45Å; Y253-V255 HydrophobicContact CD1-CG2 4.1Å; Y253-V255 HydrophobicContact CE1-CB 4.34Å; Y253-V255 HydrophobicContact CE1-CG2 3.68Å; Y253-T259 VanDerWaalsContact CD2-O 3.25Å; Y253-T259 WeakPolarHBondContact CD2-O 3.23Å |
| 254 | D | 93.1 | Very high | 93 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 34% | 0.342 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 109 | 172.3 | 176.9 | 16.3 | 0 | 0 | 0 | 111 | K256 T257 G258 T259 | D254-K256 PolarHBondContact O-N 2.98Å; D254-K256 WeakPolarHBondContact OD1-CB 3.47Å; D254-K256 PolarHBondContact OD1-N 3.03Å; D254-T257 WeakPolarHBondContact CB-OG1 3.19Å; D254-T257 VanDerWaalsContact CG-OG1 3.26Å; D254-T257 PolarHBondContact O-N 3.48Å; D254-T257 WeakPolarHBondContact OD2-CB 3.14Å; D254-T257 WeakPolarHBondContact OD2-CG2 3.37Å; D254-T257 PolarHBondContact OD2-OG1 2.59Å; D254-G258 WeakPolarHBondContact O-CA 3.38Å; D254-G258 PolarHBondContact O-N 3.32Å; D254-T259 PolarHBondContact N-O 3.19Å; D254-T259 PolarHBondContact O-N 3.37Å |
| 255 | V | 89.1 | Confident | 93.2 | Very high | 62 Ų | 62 | 51 Ų | 51 | 38% | 0.376 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -33 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | Q227 Y253 | Q227-V255 HydrophobicContact CB-CG2 3.6Å; Q227-V255 HydrophobicContact CG-CG2 3.83Å; Y253-V255 HydrophobicContact CD1-CG2 4.1Å; Y253-V255 HydrophobicContact CE1-CB 4.34Å; Y253-V255 HydrophobicContact CE1-CG2 3.68Å |
| 256 | K | 89.6 | Confident | 93.2 | Very high | 198 Ų | 198 | 57.2 Ų | 57.2 | 86% | 0.861 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -38.6 | -174.3 | -64.5 | 177 | -177.6 | 171.1 | 0 | 111.9 | D254 | D254-K256 PolarHBondContact O-N 2.98Å; D254-K256 WeakPolarHBondContact OD1-CB 3.47Å; D254-K256 PolarHBondContact OD1-N 3.03Å |
| 257 | T | 90.5 | Very high | 92.9 | Very high | 84 Ų | 84 | 60.3 Ų | 60.3 | 52% | 0.515 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -16.3 | -179.8 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | D254 T259 | D254-T257 WeakPolarHBondContact CB-OG1 3.19Å; D254-T257 VanDerWaalsContact CG-OG1 3.26Å; D254-T257 PolarHBondContact O-N 3.48Å; D254-T257 WeakPolarHBondContact OD2-CB 3.14Å; D254-T257 WeakPolarHBondContact OD2-CG2 3.37Å; D254-T257 PolarHBondContact OD2-OG1 2.59Å; T257-T259 PolarHBondContact O-N 2.99Å; T257-T259 PolarHBondContact OG1-OG1 2.84Å |
| 258 | G | 91.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 31 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N220 I221 D254 | N220-G258 PolarHBondContact N-O 2.68Å; I221-G258 PolarHBondContact N-O 3.42Å; I221-G258 VanDerWaalsContact N-O 3.13Å; D254-G258 WeakPolarHBondContact O-CA 3.38Å; D254-G258 PolarHBondContact O-N 3.32Å |
| 259 | T | 94.3 | Very high | 92.4 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 152.7 | -179.7 | 68.5 | 0 | 0 | 0 | 0 | 110.6 | V218 Y253 D254 T257 | V218-T259 CarbonylContact O-C 3.54Å; V218-T259 VanDerWaalsContact O-CA 3.27Å; V218-T259 WeakPolarHBondContact O-CA 3.2Å; Y253-T259 VanDerWaalsContact CD2-O 3.25Å; Y253-T259 WeakPolarHBondContact CD2-O 3.23Å; D254-T259 PolarHBondContact N-O 3.19Å; D254-T259 PolarHBondContact O-N 3.37Å; T257-T259 PolarHBondContact O-N 2.99Å; T257-T259 PolarHBondContact OG1-OG1 2.84Å |
| 260 | G | 93.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 167.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V218 D252 | V218-G260 PolarHBondContact N-O 2.88Å; V218-G260 PolarHBondContact O-N 3.41Å; D252-G260 CarbonylContact O-C 3.54Å; D252-G260 WeakPolarHBondContact O-CA 3.47Å |
| 261 | S | 95.3 | Very high | 92 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136 | 175.6 | -3.4 | 0 | 0 | 0 | 0 | 109.7 | E215 L216 K217 V251 D252 | E215-S261 WeakPolarHBondContact OE1-CB 3.43Å; L216-S261 WeakPolarHBondContact O-CA 3.3Å; K217-S261 PolarHBondContact NZ-OG 3.36Å; V251-S261 WeakPolarHBondContact CA-O 3.34Å; D252-S261 PolarHBondContact N-O 3.46Å; D252-S261 PolarHBondContact O-N 2.8Å |
| 262 | I | 96.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 113.8 | 177.3 | -55.8 | -177.5 | 0 | 0 | 0 | 107.5 | E215 L216 V218 F238 V248 V251 F264 | E215-I262 CarbonylContact C-O 3.52Å; E215-I262 WeakPolarHBondContact CA-O 3.41Å; L216-I262 HydrophobicContact CB-CB 4.5Å; L216-I262 PolarHBondContact N-O 2.97Å; L216-I262 PolarHBondContact O-N 2.85Å; V218-I262 HydrophobicContact CG2-CD1 3.65Å; V218-I262 HydrophobicContact CG2-CG1 3.97Å; F238-I262 HydrophobicContact CB-CD1 3.94Å; F238-I262 HydrophobicContact CB-CG2 4.16Å; F238-I262 HydrophobicContact CD1-CD1 3.71Å; F238-I262 HydrophobicContact CD2-CD1 3Å; F238-I262 HydrophobicContact CD2-CG1 4.49Å; F238-I262 HydrophobicContact CE1-CD1 3.85Å; F238-I262 HydrophobicContact CE2-CD1 3.17Å; F238-I262 HydrophobicContact CG-CD1 3.27Å; F238-I262 HydrophobicContact CG-CG2 4.46Å; F238-I262 HydrophobicContact CZ-CD1 3.59Å; V248-I262 HydrophobicContact CG1-CG2 3.92Å; V248-I262 HydrophobicContact CG2-CG2 4.14Å; V251-I262 HydrophobicContact CG2-CG1 4.5Å; V251-I262 HydrophobicContact CG2-CG2 4.5Å; I262-F264 HydrophobicContact CB-CE2 4.35Å; I262-F264 HydrophobicContact CG2-CD2 4.39Å; I262-F264 HydrophobicContact CG2-CE1 4.14Å; I262-F264 HydrophobicContact CG2-CE2 3.82Å; I262-F264 HydrophobicContact CG2-CZ 3.68Å |
| 263 | K | 95.2 | Very high | 91.7 | Very high | 60 Ų | 60 | 56.5 Ų | 56.5 | 26% | 0.261 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.4 | 175.8 | -163.8 | -178.3 | 178.4 | -157.7 | 0 | 108.8 | K214 E249 S250 | K214-K263 HydrophobicContact CB-CG 4.4Å; E249-K263 HydrophobicContact CB-CB 4.42Å; E249-K263 HydrophobicContact CB-CG 4.41Å; E249-K263 VanDerWaalsContact CD-NZ 3.33Å; E249-K263 HydrophobicContact CG-CD 4.46Å; E249-K263 PolarHBondContact N-O 2.94Å; E249-K263 IonicContact OE1-NZ 3.36Å; E249-K263 PolarHBondContact OE1-NZ 3.32Å; E249-K263 VanDerWaalsContact OE2-CD 3.25Å; E249-K263 WeakPolarHBondContact OE2-CD 3.48Å; E249-K263 WeakPolarHBondContact OE2-CE 3.26Å; E249-K263 IonicContact OE2-NZ 3.8Å; E249-K263 PolarHBondContact OE2-NZ 2.71Å; S250-K263 PolarHBondContact N-O 2.82Å; S250-K263 PolarHBondContact O-N 3.2Å; S250-K263 WeakPolarHBondContact OG-CB 3.42Å |
| 264 | F | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 144.2 | 177.2 | -65.8 | -83.2 | 0 | 0 | 0 | 110.8 | K214 L216 F238 G246 E247 V248 I262 K266 V269 A270 L273 | K214-F264 WeakPolarHBondContact CB-O 3.31Å; K214-F264 WeakPolarHBondContact CG-O 3.29Å; K214-F264 WeakPolarHBondContact O-CD2 3.19Å; K214-F264 PolarHBondContact O-N 2.84Å; L216-F264 HydrophobicContact CB-CE2 3.93Å; L216-F264 HydrophobicContact CD2-CE2 4.18Å; F238-F264 HydrophobicContact CB-CE1 4.2Å; F238-F264 HydrophobicContact CB-CZ 4.1Å; F238-F264 HydrophobicContact CD1-CZ 4.02Å; F238-F264 HydrophobicContact CG-CZ 4.49Å; G246-F264 WeakPolarHBondContact O-CD1 3.46Å; E247-F264 WeakPolarHBondContact O-CA 3.38Å; V248-F264 HydrophobicContact CG2-CD1 4.14Å; V248-F264 HydrophobicContact CG2-CE1 3.91Å; I262-F264 HydrophobicContact CB-CE2 4.35Å; I262-F264 HydrophobicContact CG2-CD2 4.39Å; I262-F264 HydrophobicContact CG2-CE1 4.14Å; I262-F264 HydrophobicContact CG2-CE2 3.82Å; I262-F264 HydrophobicContact CG2-CZ 3.68Å; F264-K266 VanDerWaalsContact C-N 3.32Å; F264-K266 PolarHBondContact O-N 3.2Å; F264-V269 HydrophobicContact CB-CB 4.26Å; F264-V269 HydrophobicContact CD1-CB 4.11Å; F264-V269 HydrophobicContact CD1-CG1 3.7Å; F264-V269 HydrophobicContact CD2-CB 4.27Å; F264-V269 HydrophobicContact CD2-CG1 4.22Å; F264-V269 HydrophobicContact CE1-CG1 3.69Å; F264-V269 HydrophobicContact CE2-CG1 4.22Å; F264-V269 HydrophobicContact CG-CB 3.95Å; F264-V269 HydrophobicContact CG-CG1 3.96Å; F264-V269 HydrophobicContact CZ-CG1 3.96Å; F264-A270 HydrophobicContact CD2-CB 3.99Å; F264-A270 HydrophobicContact CE2-CB 4.35Å; F264-L273 HydrophobicContact CE2-CD1 4.15Å; F264-L273 HydrophobicContact CZ-CD1 3.68Å |
| 265 | L | 91.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 63.9 Ų | 63.9 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -63.6 | -39.9 | 177.2 | -170.2 | 69.4 | 0 | 0 | 0 | 111.6 | E247 | E247-L265 HydrophobicContact CB-CB 4.28Å; E247-L265 VanDerWaalsContact CD-CD2 3.49Å; E247-L265 HydrophobicContact CG-CB 4.19Å; E247-L265 HydrophobicContact CG-CD2 4.1Å; E247-L265 PolarHBondContact O-N 3.07Å; E247-L265 WeakPolarHBondContact OE2-CD2 3.07Å |
| 266 | K | 88.5 | Confident | 91.5 | Very high | 139 Ų | 139 | 67.1 Ų | 67.1 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -98.4 | 128.7 | -179.3 | -68.2 | -175 | -178.5 | 177.5 | 0 | 111.9 | F264 | F264-K266 VanDerWaalsContact C-N 3.32Å; F264-K266 PolarHBondContact O-N 3.2Å |
| 267 | P | 87.8 | Confident | 91.6 | Very high | 77 Ų | 77 | 59.1 Ų | 59.1 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 149.4 | 174.9 | 27.2 | -33.5 | 0 | 0 | 0 | 111.2 | R213 K214 | R213-P267 HydrophobicContact CB-CB 4.08Å; K214-P267 HydrophobicContact CG-CB 4.21Å |
| 268 | G | 85.4 | Confident | 91.8 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -15.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | R213 R272 | R213-G268 PolarHBondContact O-N 2.76Å; G268-R272 WeakPolarHBondContact O-CG 3.39Å; G268-R272 PolarHBondContact O-N 2.82Å |
| 269 | V | 91.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -51.1 | 168.4 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | F264 W271 R272 L273 | F264-V269 HydrophobicContact CB-CB 4.26Å; F264-V269 HydrophobicContact CD1-CB 4.11Å; F264-V269 HydrophobicContact CD1-CG1 3.7Å; F264-V269 HydrophobicContact CD2-CB 4.27Å; F264-V269 HydrophobicContact CD2-CG1 4.22Å; F264-V269 HydrophobicContact CE1-CG1 3.69Å; F264-V269 HydrophobicContact CE2-CG1 4.22Å; F264-V269 HydrophobicContact CG-CB 3.95Å; F264-V269 HydrophobicContact CG-CG1 3.96Å; F264-V269 HydrophobicContact CZ-CG1 3.96Å; V269-W271 PolarHBondContact O-N 2.77Å; V269-R272 PolarHBondContact O-N 3.49Å; V269-L273 HydrophobicContact CG1-CD1 4.1Å; V269-L273 WeakPolarHBondContact O-CG 3.49Å; V269-L273 PolarHBondContact O-N 3.38Å; V269-L273 VanDerWaalsContact O-N 3.1Å |
| 270 | A | 91.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.1 | -51.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L216 F264 R272 L273 A274 | L216-A270 HydrophobicContact CB-CB 4.11Å; L216-A270 WeakPolarHBondContact CD1-O 3.34Å; F264-A270 HydrophobicContact CD2-CB 3.99Å; F264-A270 HydrophobicContact CE2-CB 4.35Å; A270-R272 PolarHBondContact O-N 2.64Å; A270-L273 PolarHBondContact O-N 3.14Å; A270-L273 VanDerWaalsContact O-N 3.17Å; A270-A274 WeakPolarHBondContact O-CB 3.4Å; A270-A274 PolarHBondContact O-N 2.89Å |
| 271 | W | 89 | Confident | 91.7 | Very high | 155 Ų | 155 | 60.5 Ų | 60.5 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57 | -45.4 | 178.8 | 174.2 | -111.6 | 0 | 0 | 0 | 113.4 | V269 L273 A274 R275 | V269-W271 PolarHBondContact O-N 2.77Å; W271-L273 VanDerWaalsContact C-N 3.3Å; W271-L273 PolarHBondContact O-N 2.97Å; W271-A274 PolarHBondContact O-N 2.96Å; W271-R275 WeakPolarHBondContact O-CB 3.36Å; W271-R275 PolarHBondContact O-N 2.9Å |
| 272 | R | 90.3 | Very high | 91.4 | Very high | 140 Ų | 140 | 62 Ų | 62 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 178.9 | -73.7 | -171.4 | -58 | -98.6 | 2.6 | 112.3 | G268 V269 A270 | G268-R272 WeakPolarHBondContact O-CG 3.39Å; G268-R272 PolarHBondContact O-N 2.82Å; V269-R272 PolarHBondContact O-N 3.49Å; A270-R272 PolarHBondContact O-N 2.64Å |
| 273 | L | 93 | Very high | 91 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73 | -45.7 | 177.3 | -67.1 | 179.3 | 0 | 0 | 0 | 111.2 | L216 F238 F264 V269 A270 W271 R275 K276 G277 Y279 V291 | L216-L273 HydrophobicContact CD1-CB 4.11Å; L216-L273 HydrophobicContact CD2-CB 3.94Å; L216-L273 HydrophobicContact CD2-CD1 3.95Å; F238-L273 HydrophobicContact CD1-CD1 3.92Å; F238-L273 HydrophobicContact CE1-CD1 4.25Å; F264-L273 HydrophobicContact CE2-CD1 4.15Å; F264-L273 HydrophobicContact CZ-CD1 3.68Å; V269-L273 HydrophobicContact CG1-CD1 4.1Å; V269-L273 WeakPolarHBondContact O-CG 3.49Å; V269-L273 PolarHBondContact O-N 3.38Å; V269-L273 VanDerWaalsContact O-N 3.1Å; A270-L273 PolarHBondContact O-N 3.14Å; A270-L273 VanDerWaalsContact O-N 3.17Å; W271-L273 VanDerWaalsContact C-N 3.3Å; W271-L273 PolarHBondContact O-N 2.97Å; L273-R275 VanDerWaalsContact C-N 3.28Å; L273-R275 PolarHBondContact O-N 3.05Å; L273-K276 WeakPolarHBondContact O-CB 3.36Å; L273-K276 PolarHBondContact O-N 2.86Å; L273-G277 PolarHBondContact O-N 3.35Å; L273-Y279 HydrophobicContact CD1-CE2 4.49Å; L273-Y279 HydrophobicContact CD2-CD2 3.71Å; L273-Y279 HydrophobicContact CD2-CE2 3.6Å; L273-V291 VanDerWaalsContact O-CG2 3.28Å; L273-V291 WeakPolarHBondContact O-CG2 3.33Å |
| 274 | A | 92.5 | Very high | 90.4 | Very high | 12 Ų | 12 | 66 Ų | 66 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.2 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L216 A270 W271 K276 G277 P293 | L216-A274 HydrophobicContact CD1-CB 3.82Å; A270-A274 WeakPolarHBondContact O-CB 3.4Å; A270-A274 PolarHBondContact O-N 2.89Å; W271-A274 PolarHBondContact O-N 2.96Å; A274-K276 PolarHBondContact O-N 3.42Å; A274-G277 PolarHBondContact O-N 2.77Å; A274-P293 HydrophobicContact CB-CB 4.32Å |
| 275 | R | 89.9 | Confident | 89.9 | Confident | 208 Ų | 208 | 69.5 Ų | 69.5 | 79% | 0.785 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24 | 178.1 | -174 | 174.7 | 159.8 | -157.4 | -4.8 | 113.8 | W271 L273 | W271-R275 WeakPolarHBondContact O-CB 3.36Å; W271-R275 PolarHBondContact O-N 2.9Å; L273-R275 VanDerWaalsContact C-N 3.28Å; L273-R275 PolarHBondContact O-N 3.05Å |
| 276 | K | 90.5 | Very high | 89.8 | Confident | 130 Ų | 130 | 70.1 Ų | 70.1 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -23.8 | 173.8 | -65.6 | 178.8 | -178.6 | 179.7 | 0 | 112.5 | L273 A274 V278 | L273-K276 WeakPolarHBondContact O-CB 3.36Å; L273-K276 PolarHBondContact O-N 2.86Å; A274-K276 PolarHBondContact O-N 3.42Å; K276-V278 PolarHBondContact O-N 3.09Å |
| 277 | G | 91.7 | Very high | 89.9 | Confident | 30 Ų | 30 | 65 Ų | 65 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | trans | 71.7 | -25.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | L273 A274 K290 V291 | L273-G277 PolarHBondContact O-N 3.35Å; A274-G277 PolarHBondContact O-N 2.77Å; G277-K290 WeakPolarHBondContact O-CA 3.34Å; G277-V291 CarbonylContact C-O 3.56Å; G277-V291 WeakPolarHBondContact CA-O 3.36Å; G277-V291 PolarHBondContact O-N 2.76Å | ||
| 278 | V | 93.4 | Very high | 90.2 | Very high | 78 Ų | 78 | 65.9 Ų | 65.9 | 47% | 0.473 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139.3 | 179.9 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | K276 N288 V289 | K276-V278 PolarHBondContact O-N 3.09Å; V278-N288 HydrophobicContact CG1-CB 3.83Å; V278-V289 WeakPolarHBondContact CA-O 3.44Å |
| 279 | Y | 93.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 64.9 Ų | 64.9 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.5 | 177.7 | -167.1 | -103.1 | 0 | 0 | 0 | 111.8 | S237 F238 R243 L273 V281 N288 V289 | S237-Y279 PolarHBondContact O-OH 3.11Å; F238-Y279 AromaticContact CD1-CD1 3.83Å; F238-Y279 HydrophobicContact CD1-CD1 3.83Å; F238-Y279 AromaticContact CD1-CE1 3.6Å; F238-Y279 HydrophobicContact CD1-CE1 3.6Å; F238-Y279 HydrophobicContact CD1-CG 4.42Å; F238-Y279 HydrophobicContact CD2-CD1 4.29Å; F238-Y279 HydrophobicContact CD2-CE1 4.06Å; F238-Y279 AromaticContact CE1-CD1 3.29Å; F238-Y279 HydrophobicContact CE1-CD1 3.29Å; F238-Y279 HydrophobicContact CE1-CD2 4.36Å; F238-Y279 AromaticContact CE1-CE1 3.61Å; F238-Y279 HydrophobicContact CE1-CE1 3.61Å; F238-Y279 AromaticContact CE1-CG 3.7Å; F238-Y279 HydrophobicContact CE1-CG 3.7Å; F238-Y279 AromaticContact CE2-CD1 3.83Å; F238-Y279 HydrophobicContact CE2-CD1 3.83Å; F238-Y279 HydrophobicContact CE2-CE1 4.07Å; F238-Y279 HydrophobicContact CG-CD1 4.34Å; F238-Y279 AromaticContact CG-CE1 3.88Å; F238-Y279 HydrophobicContact CG-CE1 3.88Å; F238-Y279 AromaticContact CZ-CD1 3.32Å; F238-Y279 HydrophobicContact CZ-CD1 3.32Å; F238-Y279 AromaticContact CZ-CE1 3.87Å; F238-Y279 HydrophobicContact CZ-CE1 3.87Å; F238-Y279 AromaticContact CZ-CG 3.98Å; F238-Y279 HydrophobicContact CZ-CG 3.98Å; R243-Y279 HydrophobicContact CB-CE2 4Å; R243-Y279 VanDerWaalsContact CB-OH 3.27Å; R243-Y279 WeakPolarHBondContact CB-OH 3.44Å; R243-Y279 WeakPolarHBondContact O-CE2 3.41Å; L273-Y279 HydrophobicContact CD1-CE2 4.49Å; L273-Y279 HydrophobicContact CD2-CD2 3.71Å; L273-Y279 HydrophobicContact CD2-CE2 3.6Å; Y279-V281 HydrophobicContact CD1-CG2 3.84Å; Y279-V281 HydrophobicContact CE1-CG2 4.37Å; Y279-N288 WeakPolarHBondContact O-CA 3.24Å; Y279-V289 PolarHBondContact N-O 2.98Å; Y279-V289 WeakPolarHBondContact O-CG2 3.19Å; Y279-V289 PolarHBondContact O-N 2.75Å |
| 280 | K | 92.3 | Very high | 90.8 | Very high | 100 Ų | 100 | 70.6 Ų | 70.6 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114 | 179.9 | -78.1 | -179.7 | 165.6 | -146 | 0 | 111.2 | R243 E286 N288 | R243-K280 PolarHBondContact NH1-O 2.81Å; K280-E286 HydrophobicContact CB-CG 4.39Å; K280-E286 IonicContact NZ-OE2 3.44Å; K280-E286 PolarHBondContact NZ-OE2 2.64Å; K280-N288 WeakPolarHBondContact CG-OD1 3.19Å |
| 281 | V | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.8 | 179.8 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | L234 F238 Y279 L283 E286 V287 V289 | L234-V281 HydrophobicContact CD2-CG1 3.84Å; L234-V281 HydrophobicContact CD2-CG2 4.18Å; F238-V281 HydrophobicContact CD2-CG2 4.33Å; F238-V281 HydrophobicContact CE2-CG2 3.52Å; F238-V281 HydrophobicContact CZ-CG2 4.04Å; Y279-V281 HydrophobicContact CD1-CG2 3.84Å; Y279-V281 HydrophobicContact CE1-CG2 4.37Å; V281-L283 HydrophobicContact CG1-CD2 3.66Å; V281-L283 HydrophobicContact CG1-CG 3.89Å; V281-E286 WeakPolarHBondContact O-CA 3.42Å; V281-V287 HydrophobicContact CB-CG2 4.46Å; V281-V287 PolarHBondContact N-O 3.35Å; V281-V287 PolarHBondContact O-N 3.08Å; V281-V289 HydrophobicContact CB-CG1 4.34Å; V281-V289 HydrophobicContact CG2-CB 4.44Å; V281-V289 HydrophobicContact CG2-CG1 4.04Å; V281-V289 HydrophobicContact CG2-CG2 3.52Å |
| 282 | N | 89.3 | Confident | 91.3 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 95.8 | 173.4 | -66.5 | -10.3 | 0 | 0 | 0 | 108.9 | S237 R243 E286 | S237-N282 PolarHBondContact OG-N 3.13Å; S237-N282 VanDerWaalsContact OG-N 3.08Å; R243-N282 VanDerWaalsContact NH1-CG 3.33Å; R243-N282 PolarHBondContact NH1-ND2 2.8Å; R243-N282 PolarHBondContact NH1-OD1 2.87Å; R243-N282 PolarHBondContact NH2-ND2 2.78Å; R243-N282 PolarHBondContact NH2-OD1 2.94Å; N282-E286 PolarHBondContact OD1-OE1 3.19Å |
| 283 | L | 87.2 | Confident | 91.4 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -89.7 | -124.5 | 171.2 | -61.1 | -178.7 | 0 | 0 | 0 | 108.9 | I221 M225 T230 R233 V281 S285 V287 | I221-L283 HydrophobicContact CG2-CD1 4.21Å; M225-L283 HydrophobicContact SD-CB 4.11Å; M225-L283 HydrophobicContact SD-CD2 4.16Å; T230-L283 HydrophobicContact CG2-CD2 4.3Å; R233-L283 HydrophobicContact CB-CD2 3.77Å; V281-L283 HydrophobicContact CG1-CD2 3.66Å; V281-L283 HydrophobicContact CG1-CG 3.89Å; L283-S285 VanDerWaalsContact C-N 3.26Å; L283-S285 PolarHBondContact N-O 2.8Å; L283-V287 HydrophobicContact CD1-CG2 3.75Å; L283-V287 HydrophobicContact CG-CG2 3.97Å |
| 284 | E | 82.9 | Confident | 91.4 | Very high | 133 Ų | 133 | 60.2 Ų | 60.2 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -67.8 | -31.3 | 164 | -65.2 | -167.7 | 148.9 | 0 | 0 | 112 | A224 | A224-E284 HydrophobicContact CB-CG 4.37Š|
| 285 | S | 84.2 | Confident | 91.3 | Very high | 75 Ų | 75 | 65.6 Ų | 65.6 | 52% | 0.524 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -137 | 166.9 | 172 | 57.7 | 0 | 0 | 0 | 0 | 110 | L283 V287 | L283-S285 VanDerWaalsContact C-N 3.26Å; L283-S285 PolarHBondContact N-O 2.8Å; S285-V287 PolarHBondContact O-N 3.39Å |
| 286 | E | 88.3 | Confident | 91.4 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 117.3 | 175.1 | -173.7 | 171.6 | -94.2 | 0 | 0 | 109.5 | R243 K280 V281 N282 | R243-E286 IonicContact CZ-OE1 3.67Å; R243-E286 IonicContact NH1-OE1 3.93Å; R243-E286 IonicContact NH2-OE1 3.91Å; R243-E286 PolarHBondContact NH2-OE1 2.65Å; K280-E286 HydrophobicContact CB-CG 4.39Å; K280-E286 IonicContact NZ-OE2 3.44Å; K280-E286 PolarHBondContact NZ-OE2 2.64Å; V281-E286 WeakPolarHBondContact O-CA 3.42Å; N282-E286 PolarHBondContact OD1-OE1 3.19Å |
| 287 | V | 91.8 | Very high | 91.3 | Very high | 30 Ų | 30 | 63.4 Ų | 63.4 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148.6 | -177.8 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | P222 V281 L283 S285 V289 | P222-V287 HydrophobicContact CG-CG1 4.4Å; P222-V287 HydrophobicContact CG-CG2 4.43Å; V281-V287 HydrophobicContact CB-CG2 4.46Å; V281-V287 PolarHBondContact N-O 3.35Å; V281-V287 PolarHBondContact O-N 3.08Å; L283-V287 HydrophobicContact CD1-CG2 3.75Å; L283-V287 HydrophobicContact CG-CG2 3.97Å; S285-V287 PolarHBondContact O-N 3.39Å; V287-V289 HydrophobicContact CG2-CG1 4.4Å |
| 288 | N | 93.1 | Very high | 91.3 | Very high | 96 Ų | 96 | 67.9 Ų | 67.9 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.9 | 173.5 | -70.5 | -38.4 | 0 | 0 | 0 | 109.5 | V278 Y279 K280 | V278-N288 HydrophobicContact CG1-CB 3.83Å; Y279-N288 WeakPolarHBondContact O-CA 3.24Å; K280-N288 WeakPolarHBondContact CG-OD1 3.19Å |
| 289 | V | 93.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 152.5 | 172.2 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | V218 I221 F238 V278 Y279 V281 V287 V291 | V218-V289 HydrophobicContact CG1-CB 3.77Å; V218-V289 HydrophobicContact CG1-CG1 4.45Å; V218-V289 HydrophobicContact CG1-CG2 3.51Å; I221-V289 HydrophobicContact CG1-CG1 4.2Å; F238-V289 HydrophobicContact CZ-CG2 4.24Å; V278-V289 WeakPolarHBondContact CA-O 3.44Å; Y279-V289 PolarHBondContact N-O 2.98Å; Y279-V289 WeakPolarHBondContact O-CG2 3.19Å; Y279-V289 PolarHBondContact O-N 2.75Å; V281-V289 HydrophobicContact CB-CG1 4.34Å; V281-V289 HydrophobicContact CG2-CB 4.44Å; V281-V289 HydrophobicContact CG2-CG1 4.04Å; V281-V289 HydrophobicContact CG2-CG2 3.52Å; V287-V289 HydrophobicContact CG2-CG1 4.4Å; V289-V291 HydrophobicContact CG2-CG1 4.12Å |
| 290 | K | 95.9 | Very high | 90.8 | Very high | 128 Ų | 128 | 72.7 Ų | 72.7 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.1 | 173.8 | -72.9 | -176.4 | 179.9 | -179.1 | 0 | 108.9 | V218 S219 G277 | V218-K290 CarbonylContact C-O 3.57Å; V218-K290 WeakPolarHBondContact CA-O 3.37Å; S219-K290 PolarHBondContact N-O 2.87Å; S219-K290 PolarHBondContact O-N 3.41Å; S219-K290 WeakPolarHBondContact OG-CB 3.13Å; G277-K290 WeakPolarHBondContact O-CA 3.34Å |
| 291 | V | 95.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141.8 | 179.2 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | L216 K217 V218 F238 L273 G277 V289 | L216-V291 HydrophobicContact CD1-CB 4.21Å; L216-V291 HydrophobicContact CD2-CB 4.08Å; L216-V291 HydrophobicContact CD2-CG1 4.05Å; L216-V291 HydrophobicContact CG-CB 4.31Å; K217-V291 CarbonylContact O-C 3.52Å; K217-V291 WeakPolarHBondContact O-CA 3.39Å; V218-V291 HydrophobicContact CG1-CG1 4.31Å; V218-V291 HydrophobicContact CG2-CG1 4.17Å; F238-V291 HydrophobicContact CE1-CG1 4.07Å; F238-V291 HydrophobicContact CZ-CG1 3.97Å; L273-V291 VanDerWaalsContact O-CG2 3.28Å; L273-V291 WeakPolarHBondContact O-CG2 3.33Å; G277-V291 CarbonylContact C-O 3.56Å; G277-V291 WeakPolarHBondContact CA-O 3.36Å; G277-V291 PolarHBondContact O-N 2.76Å; V289-V291 HydrophobicContact CG2-CG1 4.12Å |
| 292 | G | 94.8 | Very high | 90.2 | Very high | 19 Ų | 19 | 79.3 Ų | 79.3 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 167.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L216 K217 | L216-G292 VanDerWaalsContact CD1-O 3.24Å; L216-G292 WeakPolarHBondContact CD1-O 3.25Å; K217-G292 PolarHBondContact N-O 2.82Å; K217-G292 PolarHBondContact O-N 2.86Å |
| 293 | P | 92.6 | Very high | 89.9 | Confident | 48 Ų | 48 | 81.6 Ų | 81.6 | 31% | 0.312 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 141.8 | 177.4 | 28.5 | -31.1 | 0 | 0 | 0 | 109.8 | V211 A274 Y295 | V211-P293 HydrophobicContact CG1-CB 4.02Å; A274-P293 HydrophobicContact CB-CB 4.32Å; P293-Y295 HydrophobicContact CB-CD1 4.44Å; P293-Y295 HydrophobicContact CG-CD1 4.06Å; P293-Y295 HydrophobicContact CG-CE1 4.34Å; P293-Y295 WeakPolarHBondContact O-CD1 3.41Å |
| 294 | A | 92.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 84.2 Ų | 84.2 | 3% | 0.033 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S212 E215 K217 | S212-A294 PolarHBondContact N-O 2.95Å; E215-A294 HydrophobicContact CB-CB 3.74Å; E215-A294 HydrophobicContact CG-CB 3.68Å; E215-A294 WeakPolarHBondContact O-CB 3.46Å; E215-A294 PolarHBondContact O-N 3.21Å; K217-A294 HydrophobicContact CG-CB 3.89Å |
| 295 | Y | 91.6 | Very high | 88.8 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 49% | 0.49 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 148 | 176.2 | 61.7 | -90 | 0 | 0 | 0 | 110.7 | M209 D210 P293 Y297 | M209-Y295 HydrophobicContact CG-CD2 4.28Å; M209-Y295 HydrophobicContact SD-CD2 4.08Å; M209-Y295 HydrophobicContact SD-CG 4.3Å; D210-Y295 CarbonylContact O-C 3.53Å; D210-Y295 WeakPolarHBondContact O-CA 3.16Å; P293-Y295 HydrophobicContact CB-CD1 4.44Å; P293-Y295 HydrophobicContact CG-CD1 4.06Å; P293-Y295 HydrophobicContact CG-CE1 4.34Å; P293-Y295 WeakPolarHBondContact O-CD1 3.41Å; Y295-Y297 HydrophobicContact CD2-CD1 4.23Å; Y295-Y297 AromaticContact CE2-CD1 3.97Å; Y295-Y297 HydrophobicContact CE2-CD1 3.97Å |
| 296 | E | 90.6 | Very high | 87.8 | Confident | 147 Ų | 147 | 79.9 Ų | 79.9 | 69% | 0.687 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149 | 167.1 | -65.7 | -173.8 | 178.5 | 0 | 0 | 108.6 | M209 D210 | M209-E296 CarbonylContact C-O 3.52Å; M209-E296 WeakPolarHBondContact CA-O 3.35Å; D210-E296 PolarHBondContact N-O 2.9Å; D210-E296 PolarHBondContact O-N 3.23Å |
| 297 | Y | 89.9 | Confident | 86.9 | Confident | 145 Ų | 145 | 77.2 Ų | 77.2 | 57% | 0.569 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 148.4 | 175.4 | 73 | -87.1 | 0 | 0 | 0 | 112 | H208 Y295 | H208-Y297 CarbonylContact O-C 3.56Å; H208-Y297 WeakPolarHBondContact O-CA 3.39Å; Y295-Y297 HydrophobicContact CD2-CD1 4.23Å; Y295-Y297 AromaticContact CE2-CD1 3.97Å; Y295-Y297 HydrophobicContact CE2-CD1 3.97Å |
| 298 | Q | 90.2 | Very high | 86 | Confident | 123 Ų | 123 | 79.6 Ų | 79.6 | 58% | 0.575 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.8 | 175.8 | -61.7 | -174.5 | 1.3 | 0 | 0 | 109.2 | H208 | H208-Q298 PolarHBondContact N-O 2.91Å; H208-Q298 PolarHBondContact O-N 2.86Å |
| 299 | L | 89 | Confident | 85.5 | Confident | 113 Ų | 113 | 76 Ų | 76 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.9 | 174.6 | -60.3 | -178.5 | 0 | 0 | 0 | 108.4 | F205 E206 V207 | F205-L299 HydrophobicContact CD2-CD2 3.98Å; F205-L299 HydrophobicContact CE2-CD2 3.95Å; E206-L299 CarbonylContact O-C 3.58Å; E206-L299 WeakPolarHBondContact O-CA 3.45Å; V207-L299 HydrophobicContact CB-CD2 4.33Å; V207-L299 HydrophobicContact CG1-CD2 4.32Å; V207-L299 HydrophobicContact CG2-CD2 3.72Å |
| 300 | E | 88.5 | Confident | 85.1 | Confident | 76 Ų | 76 | 83.8 Ų | 83.8 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 169.5 | -179.5 | -63.9 | -161.3 | 167.3 | 0 | 0 | 112 | E206 H208 F302 | E206-E300 PolarHBondContact N-O 2.83Å; E206-E300 PolarHBondContact O-N 3.03Å; H208-E300 IonicContact CD2-OE2 2.86Å; H208-E300 IonicContact CE1-OE2 3.66Å; H208-E300 PolarHBondContact CE1-OE2 3.42Å; H208-E300 IonicContact NE2-OE2 2.76Å; H208-E300 PolarHBondContact NE2-OE2 2.95Å; E300-F302 PolarHBondContact O-N 3.01Å |
| 301 | K | 87.6 | Confident | 84.9 | Confident | 118 Ų | 118 | 79.9 Ų | 79.9 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 40.5 | 173.4 | -52.8 | -166 | -161.5 | 144.9 | 0 | 113.8 | E206 Q303 | E206-K301 VanDerWaalsContact CD-CD 3.49Å; E206-K301 HydrophobicContact CG-CB 4.36Å; E206-K301 HydrophobicContact CG-CD 4.43Å; E206-K301 WeakPolarHBondContact OE1-CD 3.33Å; E206-K301 IonicContact OE1-NZ 3.94Å; E206-K301 PolarHBondContact OE1-NZ 3.28Å; E206-K301 WeakPolarHBondContact OE2-CD 3.29Å; E206-K301 WeakPolarHBondContact OE2-CE 3.49Å; E206-K301 IonicContact OE2-NZ 2.72Å; E206-K301 PolarHBondContact OE2-NZ 3.28Å; K301-Q303 PolarHBondContact O-N 3.38Å |
| 302 | F | 84.5 | Confident | 84.6 | Confident | 121 Ų | 121 | 79.7 Ų | 79.7 | 53% | 0.531 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 116.3 | 176.9 | -174.1 | -98.5 | 0 | 0 | 0 | 110.4 | I114 V203 F205 E300 T304 | I114-F302 HydrophobicContact CD1-CE2 3.63Å; I114-F302 HydrophobicContact CD1-CZ 3.86Å; V203-F302 HydrophobicContact CG1-CD2 4.11Å; V203-F302 HydrophobicContact CG1-CE2 3.4Å; V203-F302 VanDerWaalsContact CG1-CE2 3.4Å; V203-F302 HydrophobicContact CG1-CZ 3.78Å; F205-F302 HydrophobicContact CB-CB 4.44Å; F205-F302 HydrophobicContact CB-CD2 3.94Å; F205-F302 HydrophobicContact CG-CD2 4.46Å; E300-F302 PolarHBondContact O-N 3.01Å; F302-T304 HydrophobicContact CD1-CG2 4.13Å; F302-T304 HydrophobicContact CE1-CG2 3.25Å; F302-T304 HydrophobicContact CE2-CG2 4.49Å; F302-T304 HydrophobicContact CZ-CG2 3.46Å; F302-T304 VanDerWaalsContact CZ-CG2 3.46Å |
| 303 | Q | 82.1 | Confident | 84.6 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.5 | -179.1 | -68.4 | 174.4 | 3.3 | 0 | 0 | 108.6 | V203 K204 K301 | V203-Q303 WeakPolarHBondContact CA-O 3.43Å; K204-Q303 HydrophobicContact CB-CB 4.41Å; K204-Q303 PolarHBondContact N-O 3.06Å; K204-Q303 PolarHBondContact O-N 3.39Å; K301-Q303 PolarHBondContact O-N 3.38Å |
| 304 | T | 76.6 | Confident | 84.6 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.8 | 172.6 | 55.9 | 0 | 0 | 0 | 0 | 109.1 | F112 V203 F302 | F112-T304 HydrophobicContact CD1-CG2 4.31Å; F112-T304 HydrophobicContact CE1-CG2 4.45Å; V203-T304 HydrophobicContact CG1-CG2 4.23Å; V203-T304 HydrophobicContact CG2-CG2 4.21Å; F302-T304 HydrophobicContact CD1-CG2 4.13Å; F302-T304 HydrophobicContact CE1-CG2 3.25Å; F302-T304 HydrophobicContact CE2-CG2 4.49Å; F302-T304 HydrophobicContact CZ-CG2 3.46Å; F302-T304 VanDerWaalsContact CZ-CG2 3.46Å |
| 305 | S | 71.1 | Confident | 84.6 | Confident | 42 Ų | 42 | 77 Ų | 77 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.2 | 170.6 | 32.8 | 0 | 0 | 0 | 0 | 108.5 | T201 S202 | T201-S305 WeakPolarHBondContact CA-O 3.36Å; S202-S305 PolarHBondContact N-O 2.84Å; S202-S305 PolarHBondContact O-N 2.78Å; S202-S305 PolarHBondContact OG-O 2.92Å; S202-S305 PolarHBondContact OG-OG 3.39Å |
| 306 | C | 63.2 | Low | 84.6 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 51% | 0.507 | 37% | 0.368 | S | S | . | . | trans | -129.2 | 116.5 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 106.4 | K111 T201 | K111-C306 PolarHBondContact NZ-SG 2.77Å; T201-C306 HydrophobicContact CG2-CB 4.48Å | ||
| 307 | G | 68.4 | Low | 84.5 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | trans | -169.4 | 167.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L199 | L199-G307 WeakPolarHBondContact CB-O 3.46Å; L199-G307 PolarHBondContact N-O 3.39Å; L199-G307 VanDerWaalsContact N-O 3.11Å | ||
| 308 | S | 73.5 | Confident | 84.5 | Confident | 79 Ų | 79 | 62 Ų | 62 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 143.8 | 162.1 | 50.9 | 0 | 0 | 0 | 0 | 109.3 | L197 R310 | L197-S308 CarbonylContact O-C 3.56Å; L197-S308 WeakPolarHBondContact O-CA 3.48Å; L197-S308 WeakPolarHBondContact O-CB 3.32Å; S308-R310 PolarHBondContact O-N 2.92Å |
| 309 | S | 82.7 | Confident | 84.3 | Confident | 22 Ų | 22 | 60 Ų | 60 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 134.1 | 164.8 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | L197 T312 | L197-S309 PolarHBondContact O-N 2.92Å; S309-T312 WeakPolarHBondContact OG-CB 3.34Å; S309-T312 PolarHBondContact OG-N 3.35Å; S309-T312 PolarHBondContact OG-OG1 3.26Å |
| 310 | R | 86 | Confident | 84.2 | Confident | 164 Ų | 164 | 57.8 Ų | 57.8 | 62% | 0.619 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -26.9 | 179.7 | -67.3 | -179 | 178.3 | -161.9 | 5.2 | 112.2 | E169 A172 S308 | E169-R310 HydrophobicContact CB-CB 4.49Å; E169-R310 VanDerWaalsContact CD-CB 3.49Å; E169-R310 HydrophobicContact CG-CB 3.88Å; E169-R310 WeakPolarHBondContact OE1-CD 3.43Å; E169-R310 WeakPolarHBondContact OE2-CD 3.25Å; E169-R310 IonicContact OE2-NH1 3.87Å; A172-R310 WeakPolarHBondContact CB-O 3.31Å; S308-R310 PolarHBondContact O-N 2.92Å |
| 311 | R | 90.3 | Very high | 83.9 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -19.7 | -177.9 | -57.6 | -161.3 | -67.7 | 127.4 | 8.6 | 112.8 | T165 F166 E167 E169 E346 D364 | T165-R311 HydrophobicContact CG2-CB 4.41Å; F166-R311 PolarHBondContact N-O 2.92Å; F166-R311 WeakPolarHBondContact O-CB 3.38Å; F166-R311 PolarHBondContact O-NH1 2.97Å; E167-R311 WeakPolarHBondContact O-CD 3.15Å; E167-R311 PolarHBondContact O-NH1 2.9Å; E167-R311 VanDerWaalsContact O-NH1 3.11Å; E169-R311 HydrophobicContact CB-CG 4Å; R311-E346 IonicContact CZ-OE2 3.39Å; R311-E346 IonicContact NH1-OE2 2.79Å; R311-E346 PolarHBondContact NH1-OE2 3.26Å; R311-E346 IonicContact NH2-OE2 3.14Å; R311-E346 PolarHBondContact NH2-OE2 2.88Å; R311-E346 VanDerWaalsContact NH2-OE2 3.14Å; R311-D364 IonicContact CZ-OD1 3.03Å; R311-D364 IonicContact CZ-OD2 3.51Å; R311-D364 IonicContact NE-OD1 2.97Å; R311-D364 IonicContact NE-OD2 3.15Å; R311-D364 PolarHBondContact NE-OD2 3.46Å; R311-D364 VanDerWaalsContact NE-OD2 3.15Å; R311-D364 IonicContact NH2-OD1 3.75Å; R311-D364 PolarHBondContact NH2-OD1 3.4Å; R311-D364 IonicContact NH2-OD2 3.23Å; R311-D364 PolarHBondContact NH2-OD2 3.23Å |
| 312 | T | 91.2 | Very high | 83.7 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.7 | -179.9 | -43.4 | 0 | 0 | 0 | 0 | 112.4 | L163 I164 T165 L197 S309 F361 | L163-T312 HydrophobicContact CD2-CG2 3.48Å; L163-T312 VanDerWaalsContact CD2-CG2 3.48Å; I164-T312 CarbonylContact O-C 3.53Å; I164-T312 VanDerWaalsContact O-CA 3.25Å; I164-T312 WeakPolarHBondContact O-CA 3.42Å; I164-T312 WeakPolarHBondContact O-CG2 3Å; T165-T312 WeakPolarHBondContact OG1-CG2 3.38Å; T165-T312 PolarHBondContact OG1-OG1 3.43Å; L197-T312 HydrophobicContact CD2-CG2 3.92Å; S309-T312 WeakPolarHBondContact OG-CB 3.34Å; S309-T312 PolarHBondContact OG-N 3.35Å; S309-T312 PolarHBondContact OG-OG1 3.26Å; T312-F361 HydrophobicContact CG2-CE1 4.04Å; T312-F361 HydrophobicContact CG2-CZ 4.41Å |
| 313 | I | 93.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 153.9 | 172.4 | 69.1 | 170.2 | 0 | 0 | 0 | 110.7 | I164 F166 A172 V175 L176 P194 L315 | I164-I313 HydrophobicContact CB-CG1 3.98Å; I164-I313 PolarHBondContact N-O 2.72Å; I164-I313 PolarHBondContact O-N 3.26Å; F166-I313 HydrophobicContact CE2-CD1 3.69Å; F166-I313 HydrophobicContact CE2-CG1 3.88Å; F166-I313 HydrophobicContact CE2-CG2 4.4Å; F166-I313 HydrophobicContact CZ-CD1 4.18Å; A172-I313 HydrophobicContact CB-CG2 3.97Å; V175-I313 HydrophobicContact CB-CD1 4.22Å; V175-I313 HydrophobicContact CG1-CD1 3.51Å; L176-I313 HydrophobicContact CD1-CG2 4.07Å; L176-I313 HydrophobicContact CD2-CB 4.17Å; L176-I313 HydrophobicContact CD2-CG2 3.74Å; L176-I313 HydrophobicContact CG-CG2 3.7Å; P194-I313 HydrophobicContact CB-CD1 4.27Å; I313-L315 HydrophobicContact CD1-CD2 3.87Å |
| 314 | L | 93.7 | Very high | 84.2 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127 | 169.7 | -178.8 | 68.7 | 0 | 0 | 0 | 108.8 | L157 Q161 L163 P194 K195 L197 E316 | L157-L314 HydrophobicContact CD1-CD1 3.46Å; L157-L314 VanDerWaalsContact CD1-CD1 3.46Å; Q161-L314 HydrophobicContact CB-CD1 4.04Å; L163-L314 HydrophobicContact CG-CD1 4.32Å; P194-L314 CarbonylContact C-O 3.37Å; K195-L314 PolarHBondContact N-O 2.98Å; K195-L314 PolarHBondContact O-N 3.4Å; L197-L314 HydrophobicContact CD1-CB 4.36Å; L314-E316 HydrophobicContact CD2-CG 4.03Å; L314-E316 HydrophobicContact CG-CG 4.15Å |
| 315 | L | 93.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.8 | 167.6 | -59.4 | -174.6 | 0 | 0 | 0 | 109.2 | Q161 A162 I164 P194 I313 I318 L331 F335 | Q161-L315 WeakPolarHBondContact CA-O 3.41Å; Q161-L315 WeakPolarHBondContact CB-O 3.28Å; A162-L315 HydrophobicContact CB-CB 4.22Å; A162-L315 HydrophobicContact CB-CD1 4.37Å; A162-L315 PolarHBondContact N-O 3.37Å; A162-L315 PolarHBondContact O-N 2.96Å; I164-L315 HydrophobicContact CD1-CD1 3.45Å; I164-L315 VanDerWaalsContact CD1-CD1 3.45Å; I164-L315 HydrophobicContact CD1-CG 4.07Å; I164-L315 HydrophobicContact CG1-CD1 4.2Å; I164-L315 HydrophobicContact CG1-CG 4.46Å; P194-L315 HydrophobicContact CB-CD2 3.99Å; I313-L315 HydrophobicContact CD1-CD2 3.87Å; L315-I318 HydrophobicContact CB-CD1 4.02Å; L315-L331 HydrophobicContact CD1-CD2 4.01Å; L315-F335 HydrophobicContact CD1-CD2 4.12Å; L315-F335 HydrophobicContact CD1-CE2 3.43Å; L315-F335 VanDerWaalsContact CD1-CE2 3.43Å; L315-F335 HydrophobicContact CD1-CZ 3.94Å; L315-F335 HydrophobicContact CD2-CE2 4.27Å; L315-F335 HydrophobicContact CD2-CZ 3.91Å; L315-F335 HydrophobicContact CG-CE2 4.5Å |
| 316 | E | 92.1 | Very high | 85.7 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.1 | 175.5 | -65 | -179.7 | 163 | 0 | 0 | 110.5 | Q161 K193 K195 L314 | Q161-E316 HydrophobicContact CG-CG 4.45Å; K193-E316 PolarHBondContact N-O 3.35Å; K193-E316 PolarHBondContact O-N 3.35Å; K195-E316 WeakPolarHBondContact CD-OE1 3.42Å; K195-E316 WeakPolarHBondContact CD-OE2 3.5Å; K195-E316 IonicContact NZ-OE1 3.7Å; K195-E316 PolarHBondContact NZ-OE1 3.07Å; K195-E316 IonicContact NZ-OE2 2.82Å; K195-E316 PolarHBondContact NZ-OE2 2.96Å; L314-E316 HydrophobicContact CD2-CG 4.03Å; L314-E316 HydrophobicContact CG-CG 4.15Å |
| 317 | G | 87 | Confident | 87 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | trans | 84.8 | 27.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G160 | G160-G317 PolarHBondContact O-N 3.26Š| ||
| 318 | I | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -80.3 | 128.4 | 176.3 | -58.7 | 161.9 | 0 | 0 | 0 | 108.7 | G160 A162 L190 V192 L315 L327 L331 Y350 K353 | G160-I318 WeakPolarHBondContact CA-O 3.47Å; G160-I318 PolarHBondContact O-N 2.88Å; G160-I318 VanDerWaalsContact O-N 3.08Å; A162-I318 HydrophobicContact CB-CD1 3.58Å; L190-I318 HydrophobicContact CD1-CG2 4.4Å; V192-I318 HydrophobicContact CB-CG1 4.42Å; V192-I318 HydrophobicContact CG1-CG1 3.59Å; L315-I318 HydrophobicContact CB-CD1 4.02Å; I318-L327 HydrophobicContact CG2-CD2 3.69Å; I318-L327 HydrophobicContact CG2-CG 4.3Å; I318-L331 HydrophobicContact CD1-CD1 3.92Å; I318-Y350 HydrophobicContact CB-CD2 4.49Å; I318-Y350 HydrophobicContact CB-CE2 3.86Å; I318-Y350 HydrophobicContact CD1-CD2 3.77Å; I318-Y350 HydrophobicContact CD1-CE2 4.02Å; I318-Y350 HydrophobicContact CG2-CD2 4.14Å; I318-Y350 HydrophobicContact CG2-CE2 3.46Å; I318-Y350 VanDerWaalsContact CG2-CE2 3.46Å; I318-K353 VanDerWaalsContact O-CE 3.24Å; I318-K353 WeakPolarHBondContact O-CE 3.39Å | ||
| 319 | D | 87.1 | Confident | 89.2 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | trans | -93.3 | 136.9 | 172.6 | -69.5 | -40.8 | 0 | 0 | 0 | 110.3 | L190 V321 K353 | L190-D319 HydrophobicContact CD2-CB 4.08Å; D319-V321 VanDerWaalsContact C-N 3.27Å; D319-V321 HydrophobicContact CB-CG1 4.27Å; D319-V321 PolarHBondContact O-N 3.25Å; D319-K353 IonicContact OD1-NZ 2.83Å; D319-K353 PolarHBondContact OD1-NZ 3.02Å | ||
| 320 | D | 85.4 | Confident | 89.6 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | trans | -76.8 | 78.4 | -179.5 | -57.3 | 11.9 | 0 | 0 | 0 | 109.5 | Y350 K353 | D320-Y350 VanDerWaalsContact CG-OH 3.3Å; D320-Y350 PolarHBondContact OD1-OH 3.06Å; D320-K353 WeakPolarHBondContact OD1-CG 3.23Å; D320-K353 PolarHBondContact OD1-N 2.93Å; D320-K353 WeakPolarHBondContact OD2-CA 3.35Å; D320-K353 VanDerWaalsContact OD2-CB 3.23Å; D320-K353 WeakPolarHBondContact OD2-CB 3.34Å; D320-K353 PolarHBondContact OD2-N 3.3Å | ||
| 321 | V | 83.9 | Confident | 89.9 | Confident | 51 Ų | 51 | 46.3 Ų | 46.3 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | trans | -88.5 | -24.5 | -179.1 | -67.6 | 0 | 0 | 0 | 0 | 113.1 | C185 I188 L190 D319 L327 | C185-V321 HydrophobicContact CB-CG2 4.42Å; I188-V321 HydrophobicContact CD1-CB 4.15Å; I188-V321 HydrophobicContact CD1-CG1 4.21Å; I188-V321 HydrophobicContact CG2-CG1 4.16Å; L190-V321 HydrophobicContact CD1-CG2 3.96Å; L190-V321 HydrophobicContact CD2-CB 4.5Å; L190-V321 HydrophobicContact CD2-CG1 3.71Å; L190-V321 HydrophobicContact CD2-CG2 3.94Å; L190-V321 HydrophobicContact CG-CG2 4.26Å; D319-V321 VanDerWaalsContact C-N 3.27Å; D319-V321 HydrophobicContact CB-CG1 4.27Å; D319-V321 PolarHBondContact O-N 3.25Å; V321-L327 HydrophobicContact CG2-CD1 4.44Å | ||
| 322 | E | 83.2 | Confident | 90 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -138.3 | 178.6 | -177.7 | -73.1 | 173.3 | -169.1 | 0 | 0 | 109.5 | D326 H330 | E322-D326 HydrophobicContact CB-CB 4.34Å; E322-H330 IonicContact OE1-CE1 3.22Å; E322-H330 IonicContact OE2-CE1 2.68Å; E322-H330 PolarHBondContact OE2-CE1 3.44Å; E322-H330 IonicContact OE2-ND1 2.77Å; E322-H330 PolarHBondContact OE2-ND1 3.19Å |
| 323 | D | 88 | Confident | 90.1 | Very high | 124 Ų | 124 | 50.4 Ų | 50.4 | 66% | 0.663 | 27% | 0.268 | S | S | * | . | trans | -65 | 156.7 | 174.5 | -72.7 | -34.2 | 0 | 0 | 0 | 111.7 | E325 D326 L327 | D323-E325 VanDerWaalsContact C-N 3.26Å; D323-E325 PolarHBondContact O-N 2.99Å; D323-D326 PolarHBondContact O-N 2.97Å; D323-L327 WeakPolarHBondContact O-CB 3.29Å; D323-L327 PolarHBondContact O-N 2.8Å | ||
| 324 | E | 87.7 | Confident | 90 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -34.1 | -170.8 | -171.1 | -177.7 | 135 | 0 | 0 | 113 | Q328 K349 Y350 K355 | E324-Q328 WeakPolarHBondContact O-CB 3.25Å; E324-Q328 PolarHBondContact O-N 2.83Å; E324-K349 IonicContact OE1-NZ 3.98Å; E324-K349 PolarHBondContact OE1-NZ 3.27Å; E324-Y350 HydrophobicContact CB-CD1 4.48Å; E324-Y350 HydrophobicContact CG-CD1 3.8Å; E324-Y350 HydrophobicContact CG-CE1 4.16Å; E324-K355 IonicContact OE2-NZ 2.95Å; E324-K355 PolarHBondContact OE2-NZ 3.2Å |
| 325 | E | 90.1 | Very high | 89.9 | Confident | 156 Ų | 156 | 50.6 Ų | 50.6 | 73% | 0.729 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -75.6 | -49.7 | 179.8 | -63.8 | -173.7 | 168.5 | 0 | 0 | 111.2 | D323 L327 Q328 D329 | D323-E325 VanDerWaalsContact C-N 3.26Å; D323-E325 PolarHBondContact O-N 2.99Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 2.95Å; E325-Q328 WeakPolarHBondContact O-CB 3.32Å; E325-Q328 PolarHBondContact O-N 3.03Å; E325-Q328 VanDerWaalsContact O-N 3.07Å; E325-D329 PolarHBondContact O-N 2.87Å |
| 326 | D | 90.8 | Very high | 89.9 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 179.2 | -61.8 | -39.3 | 0 | 0 | 0 | 111.6 | E322 D323 Q328 D329 H330 | E322-D326 HydrophobicContact CB-CB 4.34Å; D323-D326 PolarHBondContact O-N 2.97Å; D326-Q328 VanDerWaalsContact C-N 3.31Å; D326-Q328 PolarHBondContact O-N 2.96Å; D326-D329 PolarHBondContact O-N 3.42Å; D326-H330 PolarHBondContact O-N 2.84Å; D326-H330 PolarHBondContact O-ND1 3.17Å |
| 327 | L | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 177.9 | -176.1 | 51.3 | 0 | 0 | 0 | 112.1 | L190 I318 V321 D323 E325 L331 Y350 | L190-L327 HydrophobicContact CD1-CD1 3.42Å; L190-L327 VanDerWaalsContact CD1-CD1 3.42Å; I318-L327 HydrophobicContact CG2-CD2 3.69Å; I318-L327 HydrophobicContact CG2-CG 4.3Å; V321-L327 HydrophobicContact CG2-CD1 4.44Å; D323-L327 WeakPolarHBondContact O-CB 3.29Å; D323-L327 PolarHBondContact O-N 2.8Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 2.95Å; L327-L331 WeakPolarHBondContact O-CD1 3.2Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.41Å; L327-L331 PolarHBondContact O-N 3.01Å; L327-L331 VanDerWaalsContact O-N 3.11Å; L327-Y350 HydrophobicContact CB-CD1 4.34Å; L327-Y350 HydrophobicContact CB-CE1 4.21Å; L327-Y350 HydrophobicContact CD2-CD1 4.28Å; L327-Y350 HydrophobicContact CD2-CE1 3.56Å; L327-Y350 HydrophobicContact CD2-CE2 4.29Å; L327-Y350 WeakPolarHBondContact CD2-OH 3.36Å; L327-Y350 HydrophobicContact CG-CD1 4.28Å; L327-Y350 HydrophobicContact CG-CE1 4.04Å |
| 328 | Q | 93.1 | Very high | 89.7 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 173.3 | -168.2 | 180 | -73.9 | 0 | 0 | 111 | E324 E325 D326 L331 E332 I348 | E324-Q328 WeakPolarHBondContact O-CB 3.25Å; E324-Q328 PolarHBondContact O-N 2.83Å; E325-Q328 WeakPolarHBondContact O-CB 3.32Å; E325-Q328 PolarHBondContact O-N 3.03Å; E325-Q328 VanDerWaalsContact O-N 3.07Å; D326-Q328 VanDerWaalsContact C-N 3.31Å; D326-Q328 PolarHBondContact O-N 2.96Å; Q328-L331 WeakPolarHBondContact O-CB 3.31Å; Q328-L331 PolarHBondContact O-N 3.44Å; Q328-E332 PolarHBondContact O-N 3.11Å; Q328-I348 HydrophobicContact CG-CD1 4.21Å; Q328-I348 HydrophobicContact CG-CG1 3.94Å; Q328-I348 HydrophobicContact CG-CG2 4.04Å; Q328-I348 PolarHBondContact NE2-O 3.19Å |
| 329 | D | 93.3 | Very high | 89.4 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 178.2 | -74.1 | 0.3 | 0 | 0 | 0 | 111.5 | E325 D326 L331 E332 I333 | E325-D329 PolarHBondContact O-N 2.87Å; D326-D329 PolarHBondContact O-N 3.42Å; D329-L331 VanDerWaalsContact C-N 3.34Å; D329-L331 PolarHBondContact O-N 2.88Å; D329-E332 PolarHBondContact O-N 2.79Å; D329-I333 WeakPolarHBondContact O-CB 3.47Å; D329-I333 VanDerWaalsContact O-CG1 3.28Å; D329-I333 WeakPolarHBondContact O-CG1 3.36Å; D329-I333 PolarHBondContact O-N 2.78Å |
| 330 | H | 92 | Very high | 89.3 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.4 | -78.5 | 109.2 | 0 | 0 | 0 | 112.6 | C185 E322 D326 H334 | C185-H330 HydrophobicContact CB-CB 4.49Å; E322-H330 IonicContact OE1-CE1 3.22Å; E322-H330 IonicContact OE2-CE1 2.68Å; E322-H330 PolarHBondContact OE2-CE1 3.44Å; E322-H330 IonicContact OE2-ND1 2.77Å; E322-H330 PolarHBondContact OE2-ND1 3.19Å; D326-H330 PolarHBondContact O-N 2.84Å; D326-H330 PolarHBondContact O-ND1 3.17Å; H330-H334 VanDerWaalsContact O-CB 3.29Å; H330-H334 WeakPolarHBondContact O-CB 3.4Å; H330-H334 PolarHBondContact O-N 2.78Å |
| 331 | L | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 174.6 | -69.8 | 167.6 | 0 | 0 | 0 | 110.8 | A162 V183 V192 L315 I318 L327 Q328 D329 H334 F335 I348 Y350 | A162-L331 HydrophobicContact CB-CD1 4.06Å; V183-L331 HydrophobicContact CB-CD2 4.5Å; V183-L331 HydrophobicContact CG1-CD2 4.18Å; V183-L331 HydrophobicContact CG2-CD2 3.98Å; V192-L331 HydrophobicContact CG1-CD2 4.38Å; L315-L331 HydrophobicContact CD1-CD2 4.01Å; I318-L331 HydrophobicContact CD1-CD1 3.92Å; L327-L331 WeakPolarHBondContact O-CD1 3.2Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.41Å; L327-L331 PolarHBondContact O-N 3.01Å; L327-L331 VanDerWaalsContact O-N 3.11Å; Q328-L331 WeakPolarHBondContact O-CB 3.31Å; Q328-L331 PolarHBondContact O-N 3.44Å; D329-L331 VanDerWaalsContact C-N 3.34Å; D329-L331 PolarHBondContact O-N 2.88Å; L331-H334 PolarHBondContact O-N 2.87Å; L331-F335 HydrophobicContact CD2-CE2 4.25Å; L331-F335 VanDerWaalsContact O-CD2 3.23Å; L331-F335 WeakPolarHBondContact O-CD2 3.29Å; L331-F335 PolarHBondContact O-N 2.79Å; L331-I348 HydrophobicContact CB-CD1 3.73Å; L331-Y350 HydrophobicContact CD1-CD2 4.5Å; L331-Y350 HydrophobicContact CD1-CG 4.46Å |
| 332 | E | 93.5 | Very high | 89.4 | Confident | 53 Ų | 53 | 63.3 Ų | 63.3 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59 | -52.3 | 179.7 | -162.6 | 177.2 | 157.7 | 0 | 0 | 111.3 | Q328 D329 H334 F335 Q336 I345 I348 | Q328-E332 PolarHBondContact O-N 3.11Å; D329-E332 PolarHBondContact O-N 2.79Å; E332-H334 VanDerWaalsContact C-N 3.28Å; E332-H334 PolarHBondContact O-N 2.91Å; E332-F335 CarbonylContact O-C 3.58Å; E332-F335 PolarHBondContact O-N 2.85Å; E332-Q336 HydrophobicContact CG-CG 4.43Å; E332-Q336 WeakPolarHBondContact O-CB 3.34Å; E332-Q336 WeakPolarHBondContact O-CG 2.92Å; E332-Q336 PolarHBondContact O-N 2.89Å; E332-Q336 PolarHBondContact OE1-NE2 2.8Å; E332-I345 HydrophobicContact CG-CD1 3.86Å; E332-I348 HydrophobicContact CB-CD1 4.19Å; E332-I348 HydrophobicContact CB-CG2 4.16Å; E332-I348 HydrophobicContact CG-CG2 3.99Å; E332-I348 VanDerWaalsContact OE2-CG2 3.32Å; E332-I348 WeakPolarHBondContact OE2-CG2 3.49Å |
| 333 | I | 92.2 | Very high | 89.8 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 44% | 0.436 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 178.1 | -67.6 | 166.3 | 0 | 0 | 0 | 111.1 | D329 K337 | D329-I333 WeakPolarHBondContact O-CB 3.47Å; D329-I333 VanDerWaalsContact O-CG1 3.28Å; D329-I333 WeakPolarHBondContact O-CG1 3.36Å; D329-I333 PolarHBondContact O-N 2.78Å; I333-K337 WeakPolarHBondContact O-CG 3.45Å; I333-K337 PolarHBondContact O-N 3.32Å |
| 334 | H | 91.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 178.9 | 177.5 | -81.9 | 0 | 0 | 0 | 112.1 | R182 V183 H330 L331 E332 N340 | R182-H334 PolarHBondContact O-NE2 3.24Å; V183-H334 HydrophobicContact CG1-CB 3.88Å; V183-H334 HydrophobicContact CG2-CB 4.34Å; H330-H334 VanDerWaalsContact O-CB 3.29Å; H330-H334 WeakPolarHBondContact O-CB 3.4Å; H330-H334 PolarHBondContact O-N 2.78Å; L331-H334 PolarHBondContact O-N 2.87Å; E332-H334 VanDerWaalsContact C-N 3.28Å; E332-H334 PolarHBondContact O-N 2.91Å; H334-N340 PolarHBondContact CD2-ND2 3.15Å; H334-N340 VanDerWaalsContact CD2-ND2 3.28Å; H334-N340 PolarHBondContact NE2-ND2 3.14Å; H334-N340 WeakPolarHBondContact O-CB 3.28Å; H334-N340 PolarHBondContact O-ND2 3.23Å |
| 335 | F | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -87.1 | -7.2 | -177.5 | -73.2 | -74.8 | 0 | 0 | 0 | 114.1 | I164 F166 V175 C181 V183 V192 L315 L331 E332 G342 G343 I345 | I164-F335 HydrophobicContact CD1-CB 4.23Å; I164-F335 HydrophobicContact CD1-CD2 3.51Å; I164-F335 HydrophobicContact CD1-CE2 4.07Å; I164-F335 HydrophobicContact CD1-CG 3.92Å; F166-F335 HydrophobicContact CE1-CB 4.18Å; F166-F335 HydrophobicContact CZ-CB 4.17Å; F166-F335 HydrophobicContact CZ-CD1 4.33Å; V175-F335 HydrophobicContact CG1-CD1 4.09Å; V175-F335 HydrophobicContact CG1-CE1 3.63Å; V175-F335 HydrophobicContact CG2-CD1 4.29Å; C181-F335 HydrophobicContact CB-CE1 4.35Å; C181-F335 HydrophobicContact CB-CZ 3.92Å; V183-F335 HydrophobicContact CG2-CE2 4.23Å; V192-F335 HydrophobicContact CG2-CE2 4.33Å; V192-F335 HydrophobicContact CG2-CZ 4.1Å; L315-F335 HydrophobicContact CD1-CD2 4.12Å; L315-F335 HydrophobicContact CD1-CE2 3.43Å; L315-F335 VanDerWaalsContact CD1-CE2 3.43Å; L315-F335 HydrophobicContact CD1-CZ 3.94Å; L315-F335 HydrophobicContact CD2-CE2 4.27Å; L315-F335 HydrophobicContact CD2-CZ 3.91Å; L315-F335 HydrophobicContact CG-CE2 4.5Å; L331-F335 HydrophobicContact CD2-CE2 4.25Å; L331-F335 VanDerWaalsContact O-CD2 3.23Å; L331-F335 WeakPolarHBondContact O-CD2 3.29Å; L331-F335 PolarHBondContact O-N 2.79Å; E332-F335 CarbonylContact O-C 3.58Å; E332-F335 PolarHBondContact O-N 2.85Å; F335-G342 CarbonylContact O-C 3.59Å; F335-G342 WeakPolarHBondContact O-CA 3.46Å; F335-G343 PolarHBondContact O-N 3.39Å; F335-I345 HydrophobicContact CB-CD1 3.84Å |
| 336 | Q | 93.4 | Very high | 90.2 | Very high | 83 Ų | 83 | 59 Ų | 59 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -79 | -26.8 | 164.8 | -78 | 177.1 | -4.4 | 0 | 0 | 112.8 | E332 P338 G343 I345 | E332-Q336 HydrophobicContact CG-CG 4.43Å; E332-Q336 WeakPolarHBondContact O-CB 3.34Å; E332-Q336 WeakPolarHBondContact O-CG 2.92Å; E332-Q336 PolarHBondContact O-N 2.89Å; E332-Q336 PolarHBondContact OE1-NE2 2.8Å; Q336-P338 WeakPolarHBondContact O-CD 3.23Å; Q336-G343 WeakPolarHBondContact CA-O 3.47Å; Q336-I345 HydrophobicContact CG-CB 4.44Å; Q336-I345 HydrophobicContact CG-CD1 3.86Å; Q336-I345 HydrophobicContact CG-CG1 3.96Å |
| 337 | K | 90.2 | Very high | 90.3 | Very high | 111 Ų | 111 | 60 Ų | 60 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | trans | -70.1 | 122.9 | -176.4 | -76.2 | 168.7 | -175.5 | 174.5 | 0 | 112 | I333 N339 N340 G342 | I333-K337 WeakPolarHBondContact O-CG 3.45Å; I333-K337 PolarHBondContact O-N 3.32Å; K337-N339 PolarHBondContact O-N 3.11Å; K337-N340 PolarHBondContact O-N 2.95Å; K337-G342 WeakPolarHBondContact O-CA 3.43Å; K337-G342 PolarHBondContact O-N 2.99Å | ||
| 338 | P | 84.4 | Confident | 90.4 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 69% | 0.688 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -60.1 | -32.7 | 178.3 | -25.2 | 34.2 | 0 | 0 | 0 | 113.8 | Q336 N340 S341 | Q336-P338 WeakPolarHBondContact O-CD 3.23Å; P338-N340 PolarHBondContact O-N 3.09Å; P338-N340 VanDerWaalsContact O-N 3.16Å; P338-S341 PolarHBondContact O-N 2.88Å |
| 339 | N | 84.1 | Confident | 90.5 | Very high | 160 Ų | 160 | 62.3 Ų | 62.3 | 86% | 0.856 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -62 | -21.5 | 177.7 | -70.2 | -10.5 | 0 | 0 | 0 | 113 | K337 S341 | K337-N339 PolarHBondContact O-N 3.11Å; N339-S341 VanDerWaalsContact C-N 3.34Å |
| 340 | N | 85.4 | Confident | 90.5 | Very high | 51 Ų | 51 | 58.4 Ų | 58.4 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -97.2 | 17.9 | 177.3 | -64.8 | -24 | 0 | 0 | 0 | 112.4 | H334 K337 P338 G342 | H334-N340 PolarHBondContact CD2-ND2 3.15Å; H334-N340 VanDerWaalsContact CD2-ND2 3.28Å; H334-N340 PolarHBondContact NE2-ND2 3.14Å; H334-N340 WeakPolarHBondContact O-CB 3.28Å; H334-N340 PolarHBondContact O-ND2 3.23Å; K337-N340 PolarHBondContact O-N 2.95Å; P338-N340 PolarHBondContact O-N 3.09Å; P338-N340 VanDerWaalsContact O-N 3.16Å; N340-G342 PolarHBondContact O-N 3.16Å |
| 341 | S | 84.4 | Confident | 90.5 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 17.6 | -169.2 | -50.9 | 0 | 0 | 0 | 0 | 114 | V175 P338 N339 | V175-S341 WeakPolarHBondContact CG2-O 3.39Å; P338-S341 PolarHBondContact O-N 2.88Å; N339-S341 VanDerWaalsContact C-N 3.34Å |
| 342 | G | 86 | Confident | 90.5 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | trans | -79.9 | -176.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V171 F335 K337 N340 | V171-G342 VanDerWaalsContact CG1-C 3.48Å; F335-G342 CarbonylContact O-C 3.59Å; F335-G342 WeakPolarHBondContact O-CA 3.46Å; K337-G342 WeakPolarHBondContact O-CA 3.43Å; K337-G342 PolarHBondContact O-N 2.99Å; N340-G342 PolarHBondContact O-N 3.16Å | ||
| 343 | G | 91.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | trans | -177 | -171.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F335 Q336 I345 | F335-G343 PolarHBondContact O-N 3.39Å; Q336-G343 WeakPolarHBondContact CA-O 3.47Å; G343-I345 PolarHBondContact O-N 3.04Å | ||
| 344 | E | 91.2 | Very high | 90 | Very high | 134 Ų | 134 | 60.4 Ų | 60.4 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | trans | -61.2 | 131.4 | -177.7 | -67.9 | 176.5 | 170.6 | 0 | 0 | 111.6 | F166 E167 | F166-E344 WeakPolarHBondContact CA-O 3.41Å; E167-E344 HydrophobicContact CB-CB 4.27Å; E167-E344 HydrophobicContact CG-CB 4.03Å; E167-E344 PolarHBondContact N-O 2.92Å | ||
| 345 | I | 92.6 | Very high | 89.9 | Confident | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.6 | -176.4 | -64 | -179.5 | 0 | 0 | 0 | 107.8 | I164 F166 E332 F335 Q336 G343 I348 | I164-I345 HydrophobicContact CG2-CD1 4.01Å; I164-I345 HydrophobicContact CG2-CG1 4.2Å; I164-I345 HydrophobicContact CG2-CG2 4.09Å; F166-I345 HydrophobicContact CD1-CG1 3.96Å; F166-I345 HydrophobicContact CE1-CD1 4.34Å; F166-I345 HydrophobicContact CE1-CG1 3.92Å; E332-I345 HydrophobicContact CG-CD1 3.86Å; F335-I345 HydrophobicContact CB-CD1 3.84Å; Q336-I345 HydrophobicContact CG-CB 4.44Å; Q336-I345 HydrophobicContact CG-CD1 3.86Å; Q336-I345 HydrophobicContact CG-CG1 3.96Å; G343-I345 PolarHBondContact O-N 3.04Å; I345-I348 HydrophobicContact CG2-CB 4.25Å; I345-I348 HydrophobicContact CG2-CG2 4.5Å |
| 346 | E | 91.6 | Very high | 89.8 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -39.7 | 175.8 | -173.2 | -177 | 158.2 | 0 | 0 | 110.7 | T165 E167 R311 | T165-E346 HydrophobicContact CG2-CB 4.25Å; T165-E346 PolarHBondContact O-N 3.3Å; E167-E346 HydrophobicContact CG-CB 4.16Å; R311-E346 IonicContact CZ-OE2 3.39Å; R311-E346 IonicContact NH1-OE2 2.79Å; R311-E346 PolarHBondContact NH1-OE2 3.26Å; R311-E346 IonicContact NH2-OE2 3.14Å; R311-E346 PolarHBondContact NH2-OE2 2.88Å; R311-E346 VanDerWaalsContact NH2-OE2 3.14Å |
| 347 | N | 91.8 | Very high | 89.8 | Confident | 103 Ų | 103 | 68.3 Ų | 68.3 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157 | 140.5 | -179.2 | -165.1 | -6.3 | 0 | 0 | 0 | 111.5 | T165 | T165-N347 PolarHBondContact N-O 2.92Å; T165-N347 PolarHBondContact O-N 3.21Å |
| 348 | I | 93.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.046 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.3 | 171.7 | -179.7 | 166 | 0 | 0 | 0 | 110 | L163 I164 Q328 L331 E332 I345 | L163-I348 CarbonylContact O-C 3.55Å; L163-I348 VanDerWaalsContact O-CA 3.31Å; L163-I348 WeakPolarHBondContact O-CA 3.43Å; I164-I348 HydrophobicContact CD1-CD1 3.87Å; I164-I348 HydrophobicContact CG1-CD1 3.82Å; I164-I348 HydrophobicContact CG1-CG1 3.92Å; Q328-I348 HydrophobicContact CG-CD1 4.21Å; Q328-I348 HydrophobicContact CG-CG1 3.94Å; Q328-I348 HydrophobicContact CG-CG2 4.04Å; Q328-I348 PolarHBondContact NE2-O 3.19Å; L331-I348 HydrophobicContact CB-CD1 3.73Å; E332-I348 HydrophobicContact CB-CD1 4.19Å; E332-I348 HydrophobicContact CB-CG2 4.16Å; E332-I348 HydrophobicContact CG-CG2 3.99Å; E332-I348 VanDerWaalsContact OE2-CG2 3.32Å; E332-I348 WeakPolarHBondContact OE2-CG2 3.49Å; I345-I348 HydrophobicContact CG2-CB 4.25Å; I345-I348 HydrophobicContact CG2-CG2 4.5Å |
| 349 | K | 94.8 | Very high | 89.9 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 120.6 | 169.3 | -173.2 | 65.3 | -165.9 | 149.5 | 0 | 111.3 | A162 L163 E324 I351 L357 | A162-K349 CarbonylContact C-O 3.57Å; A162-K349 VanDerWaalsContact CA-O 3.25Å; A162-K349 WeakPolarHBondContact CA-O 3.43Å; L163-K349 PolarHBondContact N-O 2.83Å; L163-K349 PolarHBondContact O-N 2.99Å; E324-K349 IonicContact OE1-NZ 3.98Å; E324-K349 PolarHBondContact OE1-NZ 3.27Å; K349-I351 HydrophobicContact CG-CD1 4.47Å; K349-L357 HydrophobicContact CG-CD2 4.03Å |
| 350 | Y | 93.3 | Very high | 90 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 151.3 | 171.1 | 167 | -111.8 | 0 | 0 | 0 | 111 | Q161 A162 I318 D320 E324 L327 L331 A352 | Q161-Y350 WeakPolarHBondContact O-CD2 3.38Å; A162-Y350 HydrophobicContact CB-CD2 4.16Å; I318-Y350 HydrophobicContact CB-CD2 4.49Å; I318-Y350 HydrophobicContact CB-CE2 3.86Å; I318-Y350 HydrophobicContact CD1-CD2 3.77Å; I318-Y350 HydrophobicContact CD1-CE2 4.02Å; I318-Y350 HydrophobicContact CG2-CD2 4.14Å; I318-Y350 HydrophobicContact CG2-CE2 3.46Å; I318-Y350 VanDerWaalsContact CG2-CE2 3.46Å; D320-Y350 VanDerWaalsContact CG-OH 3.3Å; D320-Y350 PolarHBondContact OD1-OH 3.06Å; E324-Y350 HydrophobicContact CB-CD1 4.48Å; E324-Y350 HydrophobicContact CG-CD1 3.8Å; E324-Y350 HydrophobicContact CG-CE1 4.16Å; L327-Y350 HydrophobicContact CB-CD1 4.34Å; L327-Y350 HydrophobicContact CB-CE1 4.21Å; L327-Y350 HydrophobicContact CD2-CD1 4.28Å; L327-Y350 HydrophobicContact CD2-CE1 3.56Å; L327-Y350 HydrophobicContact CD2-CE2 4.29Å; L327-Y350 WeakPolarHBondContact CD2-OH 3.36Å; L327-Y350 HydrophobicContact CG-CD1 4.28Å; L327-Y350 HydrophobicContact CG-CE1 4.04Å; L331-Y350 HydrophobicContact CD1-CD2 4.5Å; L331-Y350 HydrophobicContact CD1-CG 4.46Å; Y350-A352 HydrophobicContact CE1-CB 4.43Å |
| 351 | I | 92.9 | Very high | 89.9 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122.4 | 175.8 | -60.3 | -65.9 | 0 | 0 | 0 | 109.2 | L157 G159 G160 Q161 K349 K355 L357 | L157-I351 HydrophobicContact CB-CG1 4.5Å; L157-I351 HydrophobicContact CD2-CB 4.32Å; L157-I351 HydrophobicContact CD2-CG1 3.46Å; L157-I351 VanDerWaalsContact CD2-CG1 3.46Å; L157-I351 HydrophobicContact CG-CB 4.49Å; L157-I351 HydrophobicContact CG-CG1 3.96Å; G159-I351 CarbonylContact C-O 3.56Å; G159-I351 WeakPolarHBondContact CA-O 3.49Å; G160-I351 PolarHBondContact N-O 3.36Å; Q161-I351 PolarHBondContact O-N 3.29Å; Q161-I351 VanDerWaalsContact O-N 3.09Å; K349-I351 HydrophobicContact CG-CD1 4.47Å; I351-K355 HydrophobicContact CG2-CB 3.58Å; I351-L357 HydrophobicContact CD1-CB 3.65Å; I351-L357 HydrophobicContact CD1-CD2 3.91Å; I351-L357 HydrophobicContact CD1-CG 4.34Å; I351-L357 HydrophobicContact CG1-CB 3.99Å |
| 352 | A | 90.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | trans | -63.9 | 153.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G159 Y350 K355 | G159-A352 WeakPolarHBondContact CA-O 3.48Å; Y350-A352 HydrophobicContact CE1-CB 4.43Å; A352-K355 PolarHBondContact O-N 2.98Å | ||
| 353 | K | 89.3 | Confident | 88.9 | Confident | 108 Ų | 108 | 68.6 Ų | 68.6 | 47% | 0.47 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 140.2 | 177.8 | -69.9 | 171.3 | -174.5 | 179.6 | 0 | 111.1 | I318 D319 D320 K355 | I318-K353 VanDerWaalsContact O-CE 3.24Å; I318-K353 WeakPolarHBondContact O-CE 3.39Å; D319-K353 IonicContact OD1-NZ 2.83Å; D319-K353 PolarHBondContact OD1-NZ 3.02Å; D320-K353 WeakPolarHBondContact OD1-CG 3.23Å; D320-K353 PolarHBondContact OD1-N 2.93Å; D320-K353 WeakPolarHBondContact OD2-CA 3.35Å; D320-K353 VanDerWaalsContact OD2-CB 3.23Å; D320-K353 WeakPolarHBondContact OD2-CB 3.34Å; D320-K353 PolarHBondContact OD2-N 3.3Å; K353-K355 VanDerWaalsContact C-N 3.31Å; K353-K355 PolarHBondContact O-N 3.26Å |
| 354 | G | 85.2 | Confident | 87.8 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 90% | 0.897 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -9.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 355 | K | 90.2 | Very high | 86.2 | Confident | 116 Ų | 116 | 75.3 Ų | 75.3 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | trans | -102.9 | 163.8 | 170.7 | -60 | -178.8 | -167.5 | 171.5 | 0 | 111.3 | G159 E324 I351 A352 K353 | G159-K355 WeakPolarHBondContact CA-O 3.33Å; G159-K355 PolarHBondContact N-O 3.33Å; E324-K355 IonicContact OE2-NZ 2.95Å; E324-K355 PolarHBondContact OE2-NZ 3.2Å; I351-K355 HydrophobicContact CG2-CB 3.58Å; A352-K355 PolarHBondContact O-N 2.98Å; K353-K355 VanDerWaalsContact C-N 3.31Å; K353-K355 PolarHBondContact O-N 3.26Å | ||
| 356 | S | 90.6 | Very high | 83.9 | Confident | 79 Ų | 79 | 80.4 Ų | 80.4 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 150.9 | 168.5 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | L157 | L157-S356 CarbonylContact O-C 3.52Å; L157-S356 VanDerWaalsContact O-CA 3.26Å; L157-S356 WeakPolarHBondContact O-CA 3.37Å |
| 357 | L | 91.6 | Very high | 81.3 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 39% | 0.387 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138.6 | 179.7 | -175.7 | 73.4 | 0 | 0 | 0 | 109.8 | L157 K349 I351 | L157-L357 WeakPolarHBondContact CB-O 3.46Å; L157-L357 PolarHBondContact N-O 2.98Å; L157-L357 PolarHBondContact O-N 3.28Å; K349-L357 HydrophobicContact CG-CD2 4.03Å; I351-L357 HydrophobicContact CD1-CB 3.65Å; I351-L357 HydrophobicContact CD1-CD2 3.91Å; I351-L357 HydrophobicContact CD1-CG 4.34Å; I351-L357 HydrophobicContact CG1-CB 3.99Å |
| 358 | Q | 89.4 | Confident | 78.5 | Confident | 114 Ų | 114 | 80.6 Ų | 80.6 | 53% | 0.533 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.2 | 170.9 | -168.4 | 168.5 | 27.3 | 0 | 0 | 109.8 | A154 F360 | A154-Q358 HydrophobicContact CB-CG 4.12Å; Q358-F360 HydrophobicContact CB-CE2 4.39Å; Q358-F360 HydrophobicContact CG-CE1 4.36Å; Q358-F360 HydrophobicContact CG-CE2 4.08Å; Q358-F360 HydrophobicContact CG-CZ 3.86Å |
| 359 | A | 87.6 | Confident | 75.4 | Confident | 21 Ų | 21 | 86.6 Ų | 86.6 | 17% | 0.174 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A154 V155 L163 F361 | A154-A359 CarbonylContact C-O 3.37Å; A154-A359 WeakPolarHBondContact CA-O 3.29Å; V155-A359 PolarHBondContact N-O 2.81Å; V155-A359 PolarHBondContact O-N 3.27Å; L163-A359 HydrophobicContact CD1-CB 3.68Å; A359-F361 HydrophobicContact CB-CE2 4.16Å |
| 360 | F | 86.6 | Confident | 72.5 | Confident | 126 Ų | 126 | 93.9 Ų | 93.9 | 55% | 0.553 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.7 | 178.3 | -64.1 | -84.5 | 0 | 0 | 0 | 111 | R152 A154 Q358 | R152-F360 HydrophobicContact CB-CD1 4.43Å; A154-F360 HydrophobicContact CB-CD1 3.88Å; A154-F360 HydrophobicContact CB-CE1 3.94Å; Q358-F360 HydrophobicContact CB-CE2 4.39Å; Q358-F360 HydrophobicContact CG-CE1 4.36Å; Q358-F360 HydrophobicContact CG-CE2 4.08Å; Q358-F360 HydrophobicContact CG-CZ 3.86Å |
| 361 | F | 84.3 | Confident | 71.5 | Confident | 36 Ų | 36 | 98.5 Ų | 98.5 | 16% | 0.158 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 141.4 | -179.1 | -67.4 | -96.3 | 0 | 0 | 0 | 110.6 | R152 A153 V155 L163 L197 L199 T312 A359 | R152-F361 WeakPolarHBondContact CB-O 3.43Å; A153-F361 HydrophobicContact CB-CB 4.32Å; A153-F361 PolarHBondContact O-N 3.24Å; V155-F361 HydrophobicContact CB-CE2 4.11Å; V155-F361 HydrophobicContact CG2-CD2 4.43Å; V155-F361 HydrophobicContact CG2-CE2 3.83Å; L163-F361 HydrophobicContact CD1-CZ 4.37Å; L163-F361 HydrophobicContact CD2-CZ 4.1Å; L197-F361 HydrophobicContact CD2-CE1 3.75Å; L197-F361 HydrophobicContact CD2-CE2 4.05Å; L197-F361 HydrophobicContact CD2-CZ 3.33Å; L199-F361 HydrophobicContact CD1-CB 4.25Å; L199-F361 HydrophobicContact CD1-CD1 4.18Å; L199-F361 HydrophobicContact CD1-CG 4.09Å; L199-F361 HydrophobicContact CD2-CD1 4.02Å; L199-F361 HydrophobicContact CD2-CD2 3.47Å; L199-F361 VanDerWaalsContact CD2-CD2 3.47Å; L199-F361 HydrophobicContact CD2-CE1 4.12Å; L199-F361 HydrophobicContact CD2-CE2 3.6Å; L199-F361 HydrophobicContact CD2-CG 3.71Å; L199-F361 HydrophobicContact CD2-CZ 3.94Å; T312-F361 HydrophobicContact CG2-CE1 4.04Å; T312-F361 HydrophobicContact CG2-CZ 4.41Å; A359-F361 HydrophobicContact CB-CE2 4.16Å |
| 362 | S | 77 | Confident | 70.4 | Confident | 73 Ų | 73 | 103.3 Ų | 103.3 | 51% | 0.51 | 58% | 0.575 | S | S | . | * | trans | -121.4 | 156.3 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 363 | E | 72.1 | Confident | 69.2 | Low | 117 Ų | 117 | 108.1 Ų | 108.1 | 55% | 0.547 | 60% | 0.6 | S | S | . | * | trans | -65.8 | 143.6 | 172.2 | -69.9 | 173.7 | 172.1 | 0 | 0 | 110 | K365 | E363-K365 PolarHBondContact O-N 2.96Š| ||
| 364 | D | 66.9 | Low | 68 | Low | 98 Ų | 98 | 108.1 Ų | 108.1 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | trans | -56.7 | 126.8 | 173.7 | -69.2 | -15.2 | 0 | 0 | 0 | 108.3 | R311 V366 | R311-D364 IonicContact CZ-OD1 3.03Å; R311-D364 IonicContact CZ-OD2 3.51Å; R311-D364 IonicContact NE-OD1 2.97Å; R311-D364 IonicContact NE-OD2 3.15Å; R311-D364 PolarHBondContact NE-OD2 3.46Å; R311-D364 VanDerWaalsContact NE-OD2 3.15Å; R311-D364 IonicContact NH2-OD1 3.75Å; R311-D364 PolarHBondContact NH2-OD1 3.4Å; R311-D364 IonicContact NH2-OD2 3.23Å; R311-D364 PolarHBondContact NH2-OD2 3.23Å; D364-V366 PolarHBondContact O-N 3.16Å | ||
| 365 | K | 57.5 | Low | 67 | Low | 192 Ų | 192 | 109.4 Ų | 109.4 | 84% | 0.835 | 59% | 0.589 | S | S | * | * | trans | -68.8 | 93.2 | 166.8 | -68.7 | -176.6 | -177 | 177.3 | 0 | 105.9 | E363 D367 | E363-K365 PolarHBondContact O-N 2.96Å; K365-D367 PolarHBondContact O-N 3.01Å | ||
| 366 | V | 45.1 | Very low | 65.4 | Low | 127 Ų | 127 | 109 Ų | 109 | 77% | 0.77 | 60% | 0.595 | S | S | * | * | trans | -65.4 | 100.5 | 162.7 | -172.4 | 0 | 0 | 0 | 0 | 104.1 | D364 A368 | D364-V366 PolarHBondContact O-N 3.16Å; V366-A368 PolarHBondContact O-N 3.21Å | ||
| 367 | D | 38 | Very low | 63.6 | Low | 135 Ų | 135 | 111.1 Ų | 111.1 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | trans | -58.5 | 96.7 | 162.9 | -80 | -26.5 | 0 | 0 | 0 | 105.1 | K365 T369 | K365-D367 PolarHBondContact O-N 3.01Å; D367-T369 PolarHBondContact O-N 3Å | ||
| 368 | A | 31.2 | Very low | 61.5 | Low | 81 Ų | 81 | 114 Ų | 114 | 67% | 0.669 | 61% | 0.614 | S | S | * | * | trans | -68 | 84.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | V366 I370 | V366-A368 PolarHBondContact O-N 3.21Å; A368-I370 VanDerWaalsContact C-N 3.29Å; A368-I370 PolarHBondContact O-N 3.19Å | ||
| 369 | T | 30.1 | Very low | 59.1 | Low | 135 Ų | 135 | 114 Ų | 114 | 83% | 0.828 | 62% | 0.621 | S | S | * | * | trans | -61.3 | 100.7 | 160.9 | -44.4 | 0 | 0 | 0 | 0 | 105.6 | D367 | D367-T369 PolarHBondContact O-N 3Š| ||
| 370 | I | 33.4 | Very low | 56.6 | Low | 227 Ų | 227 | 122.5 Ų | 122.5 | 100% | 1.164 | 66% | 0.662 | S | S | * | * | trans | -64.6 | 0 | 170.4 | -64.4 | 175.1 | 0 | 0 | 0 | 109 | A368 | A368-I370 VanDerWaalsContact C-N 3.29Å; A368-I370 PolarHBondContact O-N 3.19Å |
Retrieved 370 of 370 residues in 219.1 ms
(Link to these results)