| 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 | 56.5 | Low | 58.9 | Low | 238 Ų | 238 | 149.5 Ų | 149.5 | 100% | 1.172 | 84% | 0.843 | S | S | * | * | 0 | 106.2 | 0 | -72.3 | -178.1 | -177.1 | 0 | 0 | 106 | |||||
| 2 | T | 49.9 | Very low | 59.5 | Low | 134 Ų | 134 | 153.3 Ų | 153.3 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | trans | -72.4 | 119.3 | 179.1 | 29.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | I | 60.9 | Low | 60.2 | Low | 151 Ų | 151 | 154.5 Ų | 154.5 | 77% | 0.774 | 85% | 0.848 | S | S | * | * | trans | -90.9 | 109.1 | 172.7 | -64.4 | 167.6 | 0 | 0 | 0 | 104.8 | ||||
| 4 | E | 64.7 | Low | 61 | Low | 177 Ų | 177 | 151.7 Ų | 151.7 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 117 | 169.9 | -62.9 | -165.6 | 173 | 0 | 0 | 107.4 | ||
| 5 | D | 61.3 | Low | 62.3 | Low | 140 Ų | 140 | 148.3 Ų | 148.3 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 133.1 | 174.8 | -75.1 | -44.9 | 0 | 0 | 0 | 109.7 | ||
| 6 | P | 69.7 | Low | 63.5 | Low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 134.2 | 178.8 | 31.3 | -31.3 | 0 | 0 | 0 | 111.2 | ||
| 7 | D | 56.5 | Low | 64.5 | Low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -50 | 128.6 | 178.4 | -65.2 | -54.9 | 0 | 0 | 0 | 113.9 | E9 | D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 3.27Å; D7-E9 VanDerWaalsContact O-N 3.11Å |
| 8 | L | 56 | Low | 65.5 | Low | 179 Ų | 179 | 143.7 Ų | 143.7 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 84.3 | 165 | -80.7 | 155.8 | 0 | 0 | 0 | 108.9 | A10 | L8-A10 PolarHBondContact O-N 3.23Š| ||
| 9 | E | 61.6 | Low | 66.3 | Low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | -62.1 | 120.9 | 168.3 | -93.9 | -91.4 | 148.7 | 0 | 0 | 110.2 | D7 | D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 3.27Å; D7-E9 VanDerWaalsContact O-N 3.11Å | ||
| 10 | A | 53.3 | Low | 67 | Low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -74.2 | 147.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L8 | L8-A10 PolarHBondContact O-N 3.23Š| ||
| 11 | G | 57.5 | Low | 67.7 | Low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | trans | 81.4 | 42 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | N13 | G11-N13 PolarHBondContact O-N 3.36Š| ||
| 12 | K | 66.5 | Low | 68.9 | Low | 195 Ų | 195 | 128 Ų | 128 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | trans | -74.1 | 114.1 | 154 | -75.5 | 179.3 | -179.6 | 174.6 | 0 | 108.1 | I14 | K12-I14 VanDerWaalsContact C-N 3.32Å; K12-I14 PolarHBondContact O-N 3.35Å | ||
| 13 | N | 68.6 | Low | 70.5 | Confident | 169 Ų | 169 | 128.7 Ų | 128.7 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | -59.7 | 99.4 | 164.5 | -85.7 | -66.8 | 0 | 0 | 0 | 107.2 | G11 D15 | G11-N13 PolarHBondContact O-N 3.36Å; N13-D15 PolarHBondContact O-N 3.16Å | ||
| 14 | I | 70.4 | Confident | 71.5 | Confident | 116 Ų | 116 | 125.9 Ų | 125.9 | 60% | 0.595 | 70% | 0.696 | S | S | * | * | trans | -75.1 | 117.6 | 174.3 | -66.2 | 153.1 | 0 | 0 | 0 | 105.7 | K12 V16 L19 | K12-I14 VanDerWaalsContact C-N 3.32Å; K12-I14 PolarHBondContact O-N 3.35Å; I14-V16 PolarHBondContact O-N 3.05Å; I14-V16 VanDerWaalsContact O-N 3.09Å; I14-L19 HydrophobicContact CG2-CB 4.11Å; I14-L19 HydrophobicContact CG2-CD1 4.02Å; I14-L19 HydrophobicContact CG2-CD2 4.49Å; I14-L19 HydrophobicContact CG2-CG 4.42Å | ||
| 15 | D | 80.4 | Confident | 72.4 | Confident | 101 Ų | 101 | 124 Ų | 124 | 54% | 0.54 | 69% | 0.69 | S | S | . | * | trans | -64.3 | 111.6 | 175 | -160.1 | -10.7 | 0 | 0 | 0 | 108.1 | N13 D17 E18 L19 | N13-D15 PolarHBondContact O-N 3.16Å; D15-D17 PolarHBondContact O-N 3.23Å; D15-E18 HydrophobicContact CB-CB 4.16Å; D15-E18 PolarHBondContact O-N 3.21Å; D15-E18 VanDerWaalsContact O-N 3.14Å; D15-L19 PolarHBondContact O-N 3.48Å | ||
| 16 | V | 81.8 | Confident | 73.1 | Confident | 94 Ų | 94 | 124.7 Ų | 124.7 | 57% | 0.57 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -64.7 | -29.6 | -169.8 | -166.9 | 0 | 0 | 0 | 0 | 110.1 | I14 L19 L20 | I14-V16 PolarHBondContact O-N 3.05Å; I14-V16 VanDerWaalsContact O-N 3.09Å; V16-L19 PolarHBondContact O-N 3.19Å; V16-L20 HydrophobicContact CG1-CD1 4.04Å; V16-L20 WeakPolarHBondContact O-CB 3.49Å; V16-L20 WeakPolarHBondContact O-CD1 3.38Å; V16-L20 PolarHBondContact O-N 3.13Å |
| 17 | D | 81.4 | Confident | 73.6 | Confident | 122 Ų | 122 | 125.6 Ų | 125.6 | 65% | 0.652 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.8 | -35.8 | 177.8 | -71 | -25.2 | 0 | 0 | 0 | 112 | D15 A21 | D15-D17 PolarHBondContact O-N 3.23Å; D17-A21 VanDerWaalsContact O-CB 3.27Å; D17-A21 WeakPolarHBondContact O-CB 3.43Å; D17-A21 PolarHBondContact O-N 3.09Å |
| 18 | E | 81.2 | Confident | 74.9 | Confident | 146 Ų | 146 | 123.2 Ų | 123.2 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.7 | -37.9 | 173.6 | -169.2 | 175.6 | -170 | 0 | 0 | 111.2 | D15 A21 S22 | D15-E18 HydrophobicContact CB-CB 4.16Å; D15-E18 PolarHBondContact O-N 3.21Å; D15-E18 VanDerWaalsContact O-N 3.14Å; E18-A21 PolarHBondContact O-N 3.48Å; E18-S22 PolarHBondContact O-N 2.89Å; E18-S22 VanDerWaalsContact O-N 3.08Å |
| 19 | L | 80.5 | Confident | 76.2 | Confident | 84 Ų | 84 | 122.4 Ų | 122.4 | 44% | 0.44 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -64.2 | -45.8 | 173.8 | -162.8 | 83 | 0 | 0 | 0 | 111.1 | I14 D15 V16 S22 F23 | I14-L19 HydrophobicContact CG2-CB 4.11Å; I14-L19 HydrophobicContact CG2-CD1 4.02Å; I14-L19 HydrophobicContact CG2-CD2 4.49Å; I14-L19 HydrophobicContact CG2-CG 4.42Å; D15-L19 PolarHBondContact O-N 3.48Å; V16-L19 PolarHBondContact O-N 3.19Å; L19-S22 PolarHBondContact O-N 2.79Å; L19-S22 PolarHBondContact O-OG 2.8Å; L19-F23 HydrophobicContact CD2-CE2 4.13Å; L19-F23 HydrophobicContact CG-CD2 4.45Å; L19-F23 HydrophobicContact CG-CE2 3.85Å; L19-F23 WeakPolarHBondContact O-CD2 3.11Å; L19-F23 PolarHBondContact O-N 2.9Å |
| 20 | L | 81.7 | Confident | 77.3 | Confident | 106 Ų | 106 | 121 Ų | 121 | 56% | 0.555 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.8 | -40.9 | 175.4 | -89.3 | 153 | 0 | 0 | 0 | 112 | V16 S22 F23 T24 | V16-L20 HydrophobicContact CG1-CD1 4.04Å; V16-L20 WeakPolarHBondContact O-CB 3.49Å; V16-L20 WeakPolarHBondContact O-CD1 3.38Å; V16-L20 PolarHBondContact O-N 3.13Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.39Å; L20-F23 PolarHBondContact O-N 3.27Å; L20-T24 PolarHBondContact O-N 3.08Å; L20-T24 PolarHBondContact O-OG1 3.45Å |
| 21 | A | 81.9 | Confident | 78.8 | Confident | 60 Ų | 60 | 119.4 Ų | 119.4 | 50% | 0.496 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -60.2 | -36.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D17 E18 F23 T24 | D17-A21 VanDerWaalsContact O-CB 3.27Å; D17-A21 WeakPolarHBondContact O-CB 3.43Å; D17-A21 PolarHBondContact O-N 3.09Å; E18-A21 PolarHBondContact O-N 3.48Å; A21-F23 VanDerWaalsContact C-N 3.26Å; A21-F23 PolarHBondContact O-N 3.1Å; A21-T24 VanDerWaalsContact C-OG1 3.31Å; A21-T24 VanDerWaalsContact CA-OG1 3.28Å; A21-T24 WeakPolarHBondContact CA-OG1 3.25Å; A21-T24 WeakPolarHBondContact O-CB 3.18Å; A21-T24 PolarHBondContact O-N 2.86Å; A21-T24 PolarHBondContact O-OG1 3.04Å |
| 22 | S | 80.7 | Confident | 80.3 | Confident | 89 Ų | 89 | 119.8 Ų | 119.8 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.1 | -22.6 | 176.1 | 81 | 0 | 0 | 0 | 0 | 114.1 | E18 L19 L20 | E18-S22 PolarHBondContact O-N 2.89Å; E18-S22 VanDerWaalsContact O-N 3.08Å; L19-S22 PolarHBondContact O-N 2.79Å; L19-S22 PolarHBondContact O-OG 2.8Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.39Å |
| 23 | F | 84.3 | Confident | 81.4 | Confident | 148 Ų | 148 | 116.2 Ų | 116.2 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -89.5 | -8.8 | 175 | -69.7 | -66.3 | 0 | 0 | 0 | 113.4 | L19 L20 A21 I25 | L19-F23 HydrophobicContact CD2-CE2 4.13Å; L19-F23 HydrophobicContact CG-CD2 4.45Å; L19-F23 HydrophobicContact CG-CE2 3.85Å; L19-F23 WeakPolarHBondContact O-CD2 3.11Å; L19-F23 PolarHBondContact O-N 2.9Å; L20-F23 PolarHBondContact O-N 3.27Å; A21-F23 VanDerWaalsContact C-N 3.26Å; A21-F23 PolarHBondContact O-N 3.1Å; F23-I25 PolarHBondContact O-N 3.08Å |
| 24 | T | 81.7 | Confident | 82.6 | Confident | 92 Ų | 92 | 112 Ų | 112 | 56% | 0.564 | 61% | 0.611 | S | S | * | * | trans | -70.6 | 105.4 | 174.1 | -11.7 | 0 | 0 | 0 | 0 | 108.9 | L20 A21 D26 | L20-T24 PolarHBondContact O-N 3.08Å; L20-T24 PolarHBondContact O-OG1 3.45Å; A21-T24 VanDerWaalsContact C-OG1 3.31Å; A21-T24 VanDerWaalsContact CA-OG1 3.28Å; A21-T24 WeakPolarHBondContact CA-OG1 3.25Å; A21-T24 WeakPolarHBondContact O-CB 3.18Å; A21-T24 PolarHBondContact O-N 2.86Å; A21-T24 PolarHBondContact O-OG1 3.04Å; T24-D26 PolarHBondContact O-N 3.1Å | ||
| 25 | I | 82.6 | Confident | 83.6 | Confident | 138 Ų | 138 | 110.7 Ų | 110.7 | 71% | 0.708 | 60% | 0.603 | S | S | * | * | trans | -76.3 | 112.6 | 173.7 | -59.7 | 169.2 | 0 | 0 | 0 | 106.8 | F23 L27 | F23-I25 PolarHBondContact O-N 3.08Å; I25-L27 PolarHBondContact O-N 3.2Å | ||
| 26 | D | 77.1 | Confident | 84.1 | Confident | 154 Ų | 154 | 110.2 Ų | 110.2 | 82% | 0.824 | 60% | 0.596 | S | S | * | * | trans | -68 | 98.2 | 172.1 | -75.1 | -29.8 | 0 | 0 | 0 | 109.4 | T24 | T24-D26 PolarHBondContact O-N 3.1Š| ||
| 27 | L | 80.8 | Confident | 84.7 | Confident | 139 Ų | 139 | 109.1 Ų | 109.1 | 73% | 0.728 | 59% | 0.592 | S | S | * | * | trans | -78.9 | 130.3 | 171.5 | -75.7 | 114.1 | 0 | 0 | 0 | 109.3 | I25 D29 | I25-L27 PolarHBondContact O-N 3.2Å; L27-D29 PolarHBondContact O-N 3.13Å | ||
| 28 | P | 83.9 | Confident | 85.4 | Confident | 104 Ų | 104 | 108.8 Ų | 108.8 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | trans | -64.8 | 128.1 | 176.1 | 24.8 | -31.5 | 0 | 0 | 0 | 110.7 | E30 | P28-E30 PolarHBondContact O-N 3.29Š| ||
| 29 | D | 81.4 | Confident | 85.9 | Confident | 162 Ų | 162 | 108.6 Ų | 108.6 | 87% | 0.866 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -67.7 | -25.6 | 176.3 | -79.9 | -28.6 | 0 | 0 | 0 | 112.5 | L27 | L27-D29 PolarHBondContact O-N 3.13Š|
| 30 | E | 85.7 | Confident | 86.6 | Confident | 156 Ų | 156 | 112 Ų | 112 | 73% | 0.729 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -96.8 | 125.9 | -179.9 | -68.5 | -164.7 | -176 | 0 | 0 | 112.6 | P28 T32 | P28-E30 PolarHBondContact O-N 3.29Å; E30-T32 PolarHBondContact O-N 3.45Å |
| 31 | H | 84.1 | Confident | 87.3 | Confident | 58 Ų | 58 | 113 Ų | 113 | 27% | 0.269 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 131 | 172.4 | -68.3 | -54.8 | 0 | 0 | 0 | 111.6 | E35 K36 R39 | H31-E35 WeakPolarHBondContact CA-OE2 3.26Å; H31-E35 HydrophobicContact CB-CB 4.06Å; H31-E35 IonicContact CE1-OE2 3.98Å; H31-E35 IonicContact CG-OE2 3.59Å; H31-E35 IonicContact ND1-OE2 2.85Å; H31-E35 PolarHBondContact ND1-OE2 2.92Å; H31-K36 HydrophobicContact CB-CG 3.75Å; H31-K36 WeakPolarHBondContact O-CE 3.42Å; H31-K36 PolarHBondContact O-NZ 2.76Å; H31-R39 PolarHBondContact CD2-NH1 2.78Å; H31-R39 VanDerWaalsContact CE1-CZ 3.42Å; H31-R39 PolarHBondContact CE1-NH2 3.04Å; H31-R39 PolarHBondContact NE2-NH1 2.9Å; H31-R39 PolarHBondContact NE2-NH2 3.43Å |
| 32 | T | 88.9 | Confident | 88 | Confident | 83 Ų | 83 | 114.8 Ų | 114.8 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 149.2 | 170.3 | -29.9 | 0 | 0 | 0 | 0 | 109.2 | E30 P34 E35 K36 | E30-T32 PolarHBondContact O-N 3.45Å; T32-P34 VanDerWaalsContact C-CD 3.42Å; T32-P34 VanDerWaalsContact C-N 3.33Å; T32-P34 HydrophobicContact CG2-CG 3.97Å; T32-E35 WeakPolarHBondContact O-CA 3.45Å; T32-E35 VanDerWaalsContact O-CB 3.32Å; T32-E35 WeakPolarHBondContact O-CB 3.34Å; T32-E35 PolarHBondContact O-N 3.07Å; T32-K36 PolarHBondContact O-N 3.37Å |
| 33 | D | 91.3 | Very high | 88.8 | Confident | 120 Ų | 120 | 116 Ų | 116 | 64% | 0.642 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -48 | -41.9 | 177.1 | -69.4 | -23.6 | 0 | 0 | 0 | 115.5 | E35 K36 S37 | D33-E35 VanDerWaalsContact C-N 3.33Å; D33-E35 PolarHBondContact O-N 3Å; D33-K36 PolarHBondContact O-N 3.45Å; D33-K36 IonicContact OD1-NZ 3.97Å; D33-S37 PolarHBondContact O-N 2.76Å |
| 34 | P | 92.6 | Very high | 89.4 | Confident | 79 Ų | 79 | 111.6 Ų | 111.6 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.4 | -41.7 | 172 | 22.7 | -34.8 | 0 | 0 | 0 | 112.3 | T32 K36 S37 L38 | T32-P34 VanDerWaalsContact C-CD 3.42Å; T32-P34 VanDerWaalsContact C-N 3.33Å; T32-P34 HydrophobicContact CG2-CG 3.97Å; P34-K36 PolarHBondContact O-N 3.3Å; P34-S37 WeakPolarHBondContact O-CB 3.37Å; P34-S37 PolarHBondContact O-N 2.85Å; P34-L38 WeakPolarHBondContact O-CD1 3.44Å; P34-L38 PolarHBondContact O-N 3.13Å |
| 35 | E | 91.8 | Very high | 90.1 | Very high | 90 Ų | 90 | 112.2 Ų | 112.2 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.5 | -39.9 | 178.1 | -58.4 | -172.5 | 157.5 | 0 | 0 | 112.2 | H31 T32 D33 S37 L38 R39 | H31-E35 WeakPolarHBondContact CA-OE2 3.26Å; H31-E35 HydrophobicContact CB-CB 4.06Å; H31-E35 IonicContact CE1-OE2 3.98Å; H31-E35 IonicContact CG-OE2 3.59Å; H31-E35 IonicContact ND1-OE2 2.85Å; H31-E35 PolarHBondContact ND1-OE2 2.92Å; T32-E35 WeakPolarHBondContact O-CA 3.45Å; T32-E35 VanDerWaalsContact O-CB 3.32Å; T32-E35 WeakPolarHBondContact O-CB 3.34Å; T32-E35 PolarHBondContact O-N 3.07Å; D33-E35 VanDerWaalsContact C-N 3.33Å; D33-E35 PolarHBondContact O-N 3Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.46Å; E35-L38 PolarHBondContact O-N 2.8Å; E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 2.96Å |
| 36 | K | 91.8 | Very high | 90.8 | Very high | 91 Ų | 91 | 111 Ų | 111 | 40% | 0.396 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.5 | -41.3 | 173.6 | -70.2 | 174 | 177.7 | 153.2 | 0 | 111 | H31 T32 D33 P34 R39 K40 | H31-K36 HydrophobicContact CB-CG 3.75Å; H31-K36 WeakPolarHBondContact O-CE 3.42Å; H31-K36 PolarHBondContact O-NZ 2.76Å; T32-K36 PolarHBondContact O-N 3.37Å; D33-K36 PolarHBondContact O-N 3.45Å; D33-K36 IonicContact OD1-NZ 3.97Å; P34-K36 PolarHBondContact O-N 3.3Å; K36-R39 PolarHBondContact O-N 3.45Å; K36-K40 WeakPolarHBondContact O-CG 3.44Å; K36-K40 PolarHBondContact O-N 2.78Å |
| 37 | S | 94.1 | Very high | 91.7 | Very high | 71 Ų | 71 | 110 Ų | 110 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.5 | -48.5 | 175 | -166.3 | 0 | 0 | 0 | 0 | 111.7 | D33 P34 E35 R39 K40 E41 | D33-S37 PolarHBondContact O-N 2.76Å; P34-S37 WeakPolarHBondContact O-CB 3.37Å; P34-S37 PolarHBondContact O-N 2.85Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.46Å; S37-R39 VanDerWaalsContact C-N 3.28Å; S37-R39 PolarHBondContact O-N 2.92Å; S37-K40 WeakPolarHBondContact O-CB 3.19Å; S37-K40 PolarHBondContact O-N 3.42Å; S37-E41 PolarHBondContact O-N 3.49Å |
| 38 | L | 95.7 | Very high | 92.4 | Very high | 115 Ų | 115 | 108.1 Ų | 108.1 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58 | -39.8 | 176.7 | -93.5 | 82.6 | 0 | 0 | 0 | 112 | P34 E35 K40 E41 L42 | P34-L38 WeakPolarHBondContact O-CD1 3.44Å; P34-L38 PolarHBondContact O-N 3.13Å; E35-L38 PolarHBondContact O-N 2.8Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3Å; L38-E41 PolarHBondContact O-N 2.76Å; L38-L42 VanDerWaalsContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.18Å; L38-L42 PolarHBondContact O-N 2.95Å |
| 39 | R | 92.1 | Very high | 93 | Very high | 141 Ų | 141 | 111.9 Ų | 111.9 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -39.5 | 176.2 | -77.6 | -175.6 | 170.8 | -163.5 | 0.9 | 112.4 | H31 E35 K36 S37 L42 L43 | H31-R39 PolarHBondContact CD2-NH1 2.78Å; H31-R39 VanDerWaalsContact CE1-CZ 3.42Å; H31-R39 PolarHBondContact CE1-NH2 3.04Å; H31-R39 PolarHBondContact NE2-NH1 2.9Å; H31-R39 PolarHBondContact NE2-NH2 3.43Å; E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 2.96Å; K36-R39 PolarHBondContact O-N 3.45Å; S37-R39 VanDerWaalsContact C-N 3.28Å; S37-R39 PolarHBondContact O-N 2.92Å; R39-L42 PolarHBondContact O-N 2.76Å; R39-L43 WeakPolarHBondContact O-CG 3.46Å; R39-L43 PolarHBondContact O-N 3.12Å |
| 40 | K | 94.9 | Very high | 93.6 | Very high | 157 Ų | 157 | 112.6 Ų | 112.6 | 68% | 0.683 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 175.2 | -70.1 | 176 | -179.5 | 179.3 | 0 | 111.4 | K36 S37 L38 L42 L43 S44 | K36-K40 WeakPolarHBondContact O-CG 3.44Å; K36-K40 PolarHBondContact O-N 2.78Å; S37-K40 WeakPolarHBondContact O-CB 3.19Å; S37-K40 PolarHBondContact O-N 3.42Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3Å; K40-L42 PolarHBondContact O-N 3.41Å; K40-L43 PolarHBondContact O-N 2.88Å; K40-S44 PolarHBondContact O-N 3.19Å |
| 41 | E | 96.4 | Very high | 93.9 | Very high | 127 Ų | 127 | 108.4 Ų | 108.4 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 176.8 | -169.9 | 178.8 | 172.7 | 0 | 0 | 111.5 | S37 L38 L43 S44 L45 | S37-E41 PolarHBondContact O-N 3.49Å; L38-E41 PolarHBondContact O-N 2.76Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.14Å; E41-S44 WeakPolarHBondContact O-CB 3.37Å; E41-S44 PolarHBondContact O-N 2.97Å; E41-S44 VanDerWaalsContact O-N 3.16Å; E41-L45 WeakPolarHBondContact O-CB 3.45Å; E41-L45 PolarHBondContact O-N 2.64Å |
| 42 | L | 96.9 | Very high | 94.4 | Very high | 97 Ų | 97 | 111.1 Ų | 111.1 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 176.8 | -171.1 | 120.1 | 0 | 0 | 0 | 112.4 | L38 R39 K40 K46 | L38-L42 VanDerWaalsContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.18Å; L38-L42 PolarHBondContact O-N 2.95Å; R39-L42 PolarHBondContact O-N 2.76Å; K40-L42 PolarHBondContact O-N 3.41Å; L42-K46 HydrophobicContact CD2-CD 4.16Å; L42-K46 WeakPolarHBondContact O-CB 3.27Å; L42-K46 WeakPolarHBondContact O-CG 3.29Å; L42-K46 PolarHBondContact O-N 3.36Å |
| 43 | L | 96.1 | Very high | 94.6 | Very high | 113 Ų | 113 | 110 Ų | 110 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.8 | -44.1 | 173.3 | -73.5 | 171.4 | 0 | 0 | 0 | 111.7 | R39 K40 E41 L45 K46 Q47 | R39-L43 WeakPolarHBondContact O-CG 3.46Å; R39-L43 PolarHBondContact O-N 3.12Å; K40-L43 PolarHBondContact O-N 2.88Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.14Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.04Å; L43-K46 PolarHBondContact O-N 3.47Å; L43-Q47 PolarHBondContact O-N 2.89Å |
| 44 | S | 96.7 | Very high | 94.5 | Very high | 56 Ų | 56 | 109.4 Ų | 109.4 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | K40 E41 K46 Q47 M48 | K40-S44 PolarHBondContact O-N 3.19Å; E41-S44 WeakPolarHBondContact O-CB 3.37Å; E41-S44 PolarHBondContact O-N 2.97Å; E41-S44 VanDerWaalsContact O-N 3.16Å; S44-K46 PolarHBondContact O-N 3.09Å; S44-Q47 WeakPolarHBondContact O-CB 3.42Å; S44-Q47 PolarHBondContact O-N 3.42Å; S44-Q47 VanDerWaalsContact O-N 3.11Å; S44-M48 PolarHBondContact O-N 3.48Å |
| 45 | L | 96.9 | Very high | 94.5 | Very high | 105 Ų | 105 | 110.4 Ų | 110.4 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 179.2 | -160.4 | 130.5 | 0 | 0 | 0 | 112.2 | E41 L43 Q47 M48 R49 | E41-L45 WeakPolarHBondContact O-CB 3.45Å; E41-L45 PolarHBondContact O-N 2.64Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.04Å; L45-Q47 VanDerWaalsContact C-N 3.35Å; L45-M48 PolarHBondContact O-N 3.29Å; L45-R49 WeakPolarHBondContact O-CB 3.38Å; L45-R49 PolarHBondContact O-N 3Å |
| 46 | K | 96.9 | Very high | 94.4 | Very high | 114 Ų | 114 | 111.1 Ų | 111.1 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 170.5 | -79.4 | 177.3 | 175.6 | 178.2 | 0 | 112 | L42 L43 S44 R50 | L42-K46 HydrophobicContact CD2-CD 4.16Å; L42-K46 WeakPolarHBondContact O-CB 3.27Å; L42-K46 WeakPolarHBondContact O-CG 3.29Å; L42-K46 PolarHBondContact O-N 3.36Å; L43-K46 PolarHBondContact O-N 3.47Å; S44-K46 PolarHBondContact O-N 3.09Å; K46-R50 WeakPolarHBondContact O-CG 3.27Å; K46-R50 PolarHBondContact O-N 2.97Å |
| 47 | Q | 96.3 | Very high | 94.1 | Very high | 132 Ų | 132 | 112.8 Ų | 112.8 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.4 | -47.6 | 175.5 | -174.8 | 178.1 | -2.5 | 0 | 0 | 111.3 | L43 S44 L45 R49 R50 T51 | L43-Q47 PolarHBondContact O-N 2.89Å; S44-Q47 WeakPolarHBondContact O-CB 3.42Å; S44-Q47 PolarHBondContact O-N 3.42Å; S44-Q47 VanDerWaalsContact O-N 3.11Å; L45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-R49 VanDerWaalsContact C-N 3.34Å; Q47-R49 PolarHBondContact O-N 3.45Å; Q47-R50 WeakPolarHBondContact O-CB 3.19Å; Q47-R50 PolarHBondContact O-N 3.37Å; Q47-R50 VanDerWaalsContact O-N 3.16Å; Q47-T51 PolarHBondContact O-N 3.08Å; Q47-T51 VanDerWaalsContact O-N 3.11Å |
| 48 | M | 96 | Very high | 93.7 | Very high | 99 Ų | 99 | 114 Ų | 114 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 176.2 | -73 | -171.3 | -73.6 | 0 | 0 | 112.1 | S44 L45 R50 T51 L52 | S44-M48 PolarHBondContact O-N 3.48Å; L45-M48 PolarHBondContact O-N 3.29Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 3.01Å; M48-T51 WeakPolarHBondContact CA-OG1 3.19Å; M48-T51 PolarHBondContact O-N 3.41Å; M48-T51 VanDerWaalsContact O-N 3.15Å; M48-T51 PolarHBondContact O-OG1 3.35Å; M48-L52 PolarHBondContact O-N 3.01Å |
| 49 | R | 95.8 | Very high | 93 | Very high | 184 Ų | 184 | 112 Ų | 112 | 69% | 0.694 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.1 | -42.2 | 175 | 179.5 | 178.6 | 162.2 | -175.3 | -4.7 | 112 | L45 Q47 L52 T53 | L45-R49 WeakPolarHBondContact O-CB 3.38Å; L45-R49 PolarHBondContact O-N 3Å; Q47-R49 VanDerWaalsContact C-N 3.34Å; Q47-R49 PolarHBondContact O-N 3.45Å; R49-L52 PolarHBondContact O-N 2.86Å; R49-T53 WeakPolarHBondContact O-CG2 3.29Å; R49-T53 PolarHBondContact O-N 2.85Å; R49-T53 PolarHBondContact O-OG1 3.34Å |
| 50 | R | 93.9 | Very high | 92.4 | Very high | 177 Ų | 177 | 110.4 Ų | 110.4 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 175.5 | -70.2 | 174.3 | -177.8 | 173.6 | -0.3 | 111.5 | K46 Q47 M48 L52 T53 D54 | K46-R50 WeakPolarHBondContact O-CG 3.27Å; K46-R50 PolarHBondContact O-N 2.97Å; Q47-R50 WeakPolarHBondContact O-CB 3.19Å; Q47-R50 PolarHBondContact O-N 3.37Å; Q47-R50 VanDerWaalsContact O-N 3.16Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 3.01Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 2.86Å; R50-T53 WeakPolarHBondContact CA-OG1 3.24Å; R50-T53 PolarHBondContact O-N 2.98Å; R50-T53 PolarHBondContact O-OG1 3.27Å; R50-D54 VanDerWaalsContact O-CG 3.31Å; R50-D54 PolarHBondContact O-N 3.21Å |
| 51 | T | 93.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 108.3 Ų | 108.3 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 178.5 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | Q47 M48 D54 I55 | Q47-T51 PolarHBondContact O-N 3.08Å; Q47-T51 VanDerWaalsContact O-N 3.11Å; M48-T51 WeakPolarHBondContact CA-OG1 3.19Å; M48-T51 PolarHBondContact O-N 3.41Å; M48-T51 VanDerWaalsContact O-N 3.15Å; M48-T51 PolarHBondContact O-OG1 3.35Å; T51-D54 PolarHBondContact O-N 2.83Å; T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 2.77Å; T51-I55 VanDerWaalsContact O-N 3.07Å |
| 52 | L | 94.7 | Very high | 89.8 | Confident | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -37.8 | 176.9 | -72.1 | 175.5 | 0 | 0 | 0 | 112 | M48 R49 R50 D54 I55 D56 | M48-L52 PolarHBondContact O-N 3.01Å; R49-L52 PolarHBondContact O-N 2.86Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 2.86Å; L52-D54 VanDerWaalsContact C-N 3.33Å; L52-I55 PolarHBondContact O-N 2.86Å; L52-D56 WeakPolarHBondContact O-CB 3.43Å; L52-D56 PolarHBondContact O-N 2.97Å |
| 53 | T | 92.8 | Very high | 88 | Confident | 60 Ų | 60 | 105.4 Ų | 105.4 | 37% | 0.368 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 174.5 | 47.7 | 0 | 0 | 0 | 0 | 112 | R49 R50 D56 H57 | R49-T53 WeakPolarHBondContact O-CG2 3.29Å; R49-T53 PolarHBondContact O-N 2.85Å; R49-T53 PolarHBondContact O-OG1 3.34Å; R50-T53 WeakPolarHBondContact CA-OG1 3.24Å; R50-T53 PolarHBondContact O-N 2.98Å; R50-T53 PolarHBondContact O-OG1 3.27Å; T53-D56 PolarHBondContact O-N 3.16Å; T53-H57 PolarHBondContact O-CD2 3.43Å; T53-H57 PolarHBondContact O-N 3.42Å |
| 54 | D | 90.2 | Very high | 86.2 | Confident | 107 Ų | 107 | 108 Ų | 108 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 176.3 | -65 | -21.8 | 0 | 0 | 0 | 111.5 | R50 T51 L52 H57 E58 | R50-D54 VanDerWaalsContact O-CG 3.31Å; R50-D54 PolarHBondContact O-N 3.21Å; T51-D54 PolarHBondContact O-N 2.83Å; L52-D54 VanDerWaalsContact C-N 3.33Å; D54-H57 PolarHBondContact O-N 3.49Å; D54-E58 PolarHBondContact O-N 2.72Å |
| 55 | I | 90.8 | Very high | 84.1 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.6 | -66.4 | 165.7 | 0 | 0 | 0 | 110.9 | T51 L52 H57 E58 V59 | T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 2.77Å; T51-I55 VanDerWaalsContact O-N 3.07Å; L52-I55 PolarHBondContact O-N 2.86Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 2.79Å; I55-E58 PolarHBondContact O-N 2.91Å; I55-E58 VanDerWaalsContact O-N 3.14Å; I55-V59 HydrophobicContact CG2-CG2 4.22Å; I55-V59 WeakPolarHBondContact O-CG2 3.44Å; I55-V59 PolarHBondContact O-N 3.23Å |
| 56 | D | 90.8 | Very high | 82 | Confident | 105 Ų | 105 | 111.8 Ų | 111.8 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.4 | -40.4 | 178.8 | -169.8 | 55.4 | 0 | 0 | 0 | 111.7 | L52 T53 V59 K60 | L52-D56 WeakPolarHBondContact O-CB 3.43Å; L52-D56 PolarHBondContact O-N 2.97Å; T53-D56 PolarHBondContact O-N 3.16Å; D56-V59 PolarHBondContact O-N 3.25Å; D56-K60 VanDerWaalsContact O-CB 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.29Å; D56-K60 PolarHBondContact O-N 3.13Å |
| 57 | H | 85.6 | Confident | 79.8 | Confident | 125 Ų | 125 | 113 Ų | 113 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.2 | -40.1 | 172.7 | -76.6 | -56.7 | 0 | 0 | 0 | 112.8 | T53 D54 I55 K61 | T53-H57 PolarHBondContact O-CD2 3.43Å; T53-H57 PolarHBondContact O-N 3.42Å; D54-H57 PolarHBondContact O-N 3.49Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 2.79Å; H57-K61 WeakPolarHBondContact O-CB 3.38Å; H57-K61 PolarHBondContact O-N 3.28Å |
| 58 | E | 85.2 | Confident | 77.6 | Confident | 98 Ų | 98 | 116 Ų | 116 | 46% | 0.458 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 176.8 | -167 | 60.4 | -146.7 | 0 | 0 | 111.8 | D54 I55 K60 K61 C62 | D54-E58 PolarHBondContact O-N 2.72Å; I55-E58 PolarHBondContact O-N 2.91Å; I55-E58 VanDerWaalsContact O-N 3.14Å; E58-K60 PolarHBondContact O-N 2.97Å; E58-K61 WeakPolarHBondContact O-CB 3.38Å; E58-K61 PolarHBondContact O-N 3.07Å; E58-C62 PolarHBondContact O-N 3.42Å; E58-C62 PolarHBondContact O-SG 3.45Å |
| 59 | V | 81.3 | Confident | 75.4 | Confident | 71 Ų | 71 | 114.1 Ų | 114.1 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 173.9 | 172 | 0 | 0 | 0 | 0 | 110.3 | I55 D56 K61 C62 E63 | I55-V59 HydrophobicContact CG2-CG2 4.22Å; I55-V59 WeakPolarHBondContact O-CG2 3.44Å; I55-V59 PolarHBondContact O-N 3.23Å; D56-V59 PolarHBondContact O-N 3.25Å; V59-K61 PolarHBondContact O-N 3.23Å; V59-C62 WeakPolarHBondContact O-CB 3.42Å; V59-C62 PolarHBondContact O-N 3.3Å; V59-C62 VanDerWaalsContact O-N 3.12Å; V59-E63 WeakPolarHBondContact O-CG 3.31Å; V59-E63 PolarHBondContact O-N 2.86Å |
| 60 | K | 80.3 | Confident | 73.4 | Confident | 108 Ų | 108 | 111.7 Ų | 111.7 | 47% | 0.47 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -29.4 | 177.1 | -167.8 | 170.7 | -172.6 | 169.2 | 0 | 113 | D56 E58 R64 | D56-K60 VanDerWaalsContact O-CB 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.29Å; D56-K60 PolarHBondContact O-N 3.13Å; E58-K60 PolarHBondContact O-N 2.97Å; K60-R64 WeakPolarHBondContact O-CG 3.46Å; K60-R64 PolarHBondContact O-N 3.01Å |
| 61 | K | 74.4 | Confident | 71.3 | Confident | 113 Ų | 113 | 107.9 Ų | 107.9 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.1 | -37 | 174 | -171.4 | -178.1 | 177.2 | -170.4 | 0 | 111.8 | H57 E58 V59 K65 | H57-K61 WeakPolarHBondContact O-CB 3.38Å; H57-K61 PolarHBondContact O-N 3.28Å; E58-K61 WeakPolarHBondContact O-CB 3.38Å; E58-K61 PolarHBondContact O-N 3.07Å; V59-K61 PolarHBondContact O-N 3.23Å; K61-K65 PolarHBondContact O-N 2.86Å |
| 62 | C | 60.4 | Low | 69.4 | Low | 59 Ų | 59 | 110.1 Ų | 110.1 | 40% | 0.399 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 173.1 | -75.7 | 0 | 0 | 0 | 0 | 112 | E58 V59 R64 K65 E66 | E58-C62 PolarHBondContact O-N 3.42Å; E58-C62 PolarHBondContact O-SG 3.45Å; V59-C62 WeakPolarHBondContact O-CB 3.42Å; V59-C62 PolarHBondContact O-N 3.3Å; V59-C62 VanDerWaalsContact O-N 3.12Å; C62-R64 VanDerWaalsContact C-N 3.31Å; C62-R64 PolarHBondContact O-N 2.89Å; C62-K65 PolarHBondContact O-N 3.33Å; C62-E66 PolarHBondContact O-N 2.81Å |
| 63 | E | 60.4 | Low | 67.6 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 176.9 | -73.5 | -175.1 | 156 | 0 | 0 | 112.5 | V59 K65 E66 E67 | V59-E63 WeakPolarHBondContact O-CG 3.31Å; V59-E63 PolarHBondContact O-N 2.86Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 3.15Å; E63-E66 PolarHBondContact O-N 3Å; E63-E67 PolarHBondContact O-N 3.45Å |
| 64 | R | 58.4 | Low | 66.4 | Low | 166 Ų | 166 | 115.2 Ų | 115.2 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.6 | -21.1 | 175.4 | -71.6 | 178.8 | -179.9 | 161.9 | -2.9 | 113.8 | K60 C62 | K60-R64 WeakPolarHBondContact O-CG 3.46Å; K60-R64 PolarHBondContact O-N 3.01Å; C62-R64 VanDerWaalsContact C-N 3.31Å; C62-R64 PolarHBondContact O-N 2.89Å |
| 65 | K | 53.1 | Low | 65.3 | Low | 149 Ų | 149 | 120.6 Ų | 120.6 | 65% | 0.648 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -85.4 | -30.2 | 171.3 | -71.1 | -175.8 | 177.9 | -177.5 | 0 | 111.8 | K61 C62 E63 | K61-K65 PolarHBondContact O-N 2.86Å; C62-K65 PolarHBondContact O-N 3.33Å; E63-K65 VanDerWaalsContact C-N 3.26Å; E63-K65 PolarHBondContact O-N 3.15Å |
| 66 | E | 50.8 | Low | 64.4 | Low | 92 Ų | 92 | 120.6 Ų | 120.6 | 43% | 0.43 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.7 | -29.7 | 174 | -75.1 | -168.8 | 180 | 0 | 0 | 113.5 | C62 E63 K68 S69 R70 | C62-E66 PolarHBondContact O-N 2.81Å; E63-E66 PolarHBondContact O-N 3Å; E66-K68 PolarHBondContact O-N 3.5Å; E66-S69 PolarHBondContact O-N 3.29Å; E66-S69 PolarHBondContact O-OG 3.23Å; E66-R70 WeakPolarHBondContact O-CB 3.17Å; E66-R70 WeakPolarHBondContact O-CG 3.47Å; E66-R70 PolarHBondContact O-N 2.81Å; E66-R70 IonicContact OE2-CZ 3.7Å; E66-R70 IonicContact OE2-NE 3.7Å; E66-R70 IonicContact OE2-NH2 2.84Å; E66-R70 PolarHBondContact OE2-NH2 2.81Å |
| 67 | E | 51.3 | Low | 63.7 | Low | 141 Ų | 141 | 121.6 Ų | 121.6 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -22.6 | 176.3 | -78.8 | -174.8 | 157.8 | 0 | 0 | 113.2 | E63 | E63-E67 PolarHBondContact O-N 3.45Š|
| 68 | K | 51.1 | Low | 63.5 | Low | 193 Ų | 193 | 118.4 Ų | 118.4 | 84% | 0.839 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -11.8 | 171.8 | -70.3 | -173.8 | 178.5 | -177.2 | 0 | 114.3 | E66 | E66-K68 PolarHBondContact O-N 3.5Š|
| 69 | S | 48.9 | Very low | 63.6 | Low | 61 Ų | 61 | 120.6 Ų | 120.6 | 43% | 0.427 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.7 | -10.6 | 173.4 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | E66 A71 M72 | E66-S69 PolarHBondContact O-N 3.29Å; E66-S69 PolarHBondContact O-OG 3.23Å; S69-A71 PolarHBondContact O-N 3.4Å; S69-A71 VanDerWaalsContact O-N 3.09Å; S69-M72 WeakPolarHBondContact O-CB 3.46Å; S69-M72 PolarHBondContact O-N 3.07Å |
| 70 | R | 53.6 | Low | 63.8 | Low | 133 Ų | 133 | 124 Ų | 124 | 50% | 0.502 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -2.7 | 176.5 | -79.6 | 170.9 | -172 | -164.2 | 6.3 | 115.1 | E66 M72 | E66-R70 WeakPolarHBondContact O-CB 3.17Å; E66-R70 WeakPolarHBondContact O-CG 3.47Å; E66-R70 PolarHBondContact O-N 2.81Å; E66-R70 IonicContact OE2-CZ 3.7Å; E66-R70 IonicContact OE2-NE 3.7Å; E66-R70 IonicContact OE2-NH2 2.84Å; E66-R70 PolarHBondContact OE2-NH2 2.81Å; R70-M72 VanDerWaalsContact C-N 3.26Å |
| 71 | A | 50.3 | Low | 64.1 | Low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -1.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S69 | S69-A71 PolarHBondContact O-N 3.4Å; S69-A71 VanDerWaalsContact O-N 3.09Å |
| 72 | M | 52.3 | Low | 64.8 | Low | 116 Ų | 116 | 122 Ų | 122 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -73.8 | 129.1 | 172.5 | -81.6 | -176.2 | 133.4 | 0 | 0 | 111 | S69 R70 E76 | S69-M72 WeakPolarHBondContact O-CB 3.46Å; S69-M72 PolarHBondContact O-N 3.07Å; R70-M72 VanDerWaalsContact C-N 3.26Å; M72-E76 WeakPolarHBondContact CB-OE2 3.41Å; M72-E76 WeakPolarHBondContact CE-OE2 3.43Å; M72-E76 WeakPolarHBondContact CG-OE2 3.38Å; M72-E76 VanDerWaalsContact SD-OE2 3.39Å |
| 73 | K | 57.6 | Low | 66.2 | Low | 165 Ų | 165 | 123.5 Ų | 123.5 | 72% | 0.717 | 60% | 0.597 | S | S | * | * | trans | -47.8 | 141.3 | -169.8 | -65.8 | 167.5 | 179.9 | 173.8 | 0 | 110.5 | R75 E76 | K73-R75 PolarHBondContact O-N 3.14Å; K73-E76 PolarHBondContact O-N 2.92Å | ||
| 74 | P | 67.6 | Low | 67.8 | Low | 117 Ų | 117 | 125.9 Ų | 125.9 | 76% | 0.76 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -51.2 | -18.9 | -177.7 | 16.8 | -30.4 | 0 | 0 | 0 | 114.7 | E76 | P74-E76 PolarHBondContact O-N 3.28Å |
| 75 | R | 66.1 | Low | 69.4 | Low | 220 Ų | 220 | 121.4 Ų | 121.4 | 83% | 0.83 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.1 | -31.1 | 173 | -166.6 | 173.3 | 173.7 | 173.3 | -2.5 | 114.6 | K73 K79 | K73-R75 PolarHBondContact O-N 3.14Å; R75-K79 PolarHBondContact O-N 2.99Å |
| 76 | E | 72.7 | Confident | 71.2 | Confident | 99 Ų | 99 | 117.9 Ų | 117.9 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -79.2 | -38.7 | -179.2 | -90.1 | 174 | 149.7 | 0 | 0 | 112.9 | M72 K73 P74 A78 K79 E80 | M72-E76 WeakPolarHBondContact CB-OE2 3.41Å; M72-E76 WeakPolarHBondContact CE-OE2 3.43Å; M72-E76 WeakPolarHBondContact CG-OE2 3.38Å; M72-E76 VanDerWaalsContact SD-OE2 3.39Å; K73-E76 PolarHBondContact O-N 2.92Å; P74-E76 PolarHBondContact O-N 3.28Å; E76-A78 VanDerWaalsContact C-N 3.34Å; E76-A78 PolarHBondContact O-N 3.49Å; E76-K79 WeakPolarHBondContact O-CB 3.38Å; E76-K79 PolarHBondContact O-N 3.42Å; E76-K79 VanDerWaalsContact O-N 3.08Å; E76-E80 PolarHBondContact O-N 2.98Å |
| 77 | K | 76.1 | Confident | 73.2 | Confident | 126 Ų | 126 | 121.8 Ų | 121.8 | 55% | 0.548 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.1 | -43.3 | 174.7 | -78.1 | -171.4 | 174.3 | -172.3 | 0 | 112.3 | K79 E80 E81 | K77-K79 VanDerWaalsContact C-N 3.25Å; K77-K79 PolarHBondContact O-N 2.91Å; K77-E80 PolarHBondContact O-N 2.84Å; K77-E81 PolarHBondContact O-N 2.72Å |
| 78 | A | 81.4 | Confident | 75.2 | Confident | 59 Ų | 59 | 119 Ų | 119 | 49% | 0.488 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.7 | -33.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E76 A82 | E76-A78 VanDerWaalsContact C-N 3.34Å; E76-A78 PolarHBondContact O-N 3.49Å; A78-A82 WeakPolarHBondContact O-CB 3.31Å; A78-A82 PolarHBondContact O-N 3.12Å |
| 79 | K | 87.7 | Confident | 77 | Confident | 143 Ų | 143 | 112.6 Ų | 112.6 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.6 | -39.5 | 177 | -170.1 | -178.6 | 178 | -174.1 | 0 | 111.9 | R75 E76 K77 M83 | R75-K79 PolarHBondContact O-N 2.99Å; E76-K79 WeakPolarHBondContact O-CB 3.38Å; E76-K79 PolarHBondContact O-N 3.42Å; E76-K79 VanDerWaalsContact O-N 3.08Å; K77-K79 VanDerWaalsContact C-N 3.25Å; K77-K79 PolarHBondContact O-N 2.91Å; K79-M83 WeakPolarHBondContact O-CB 3.5Å; K79-M83 WeakPolarHBondContact O-CG 3.13Å; K79-M83 PolarHBondContact O-N 2.97Å |
| 80 | E | 84.5 | Confident | 78.9 | Confident | 143 Ų | 143 | 113 Ų | 113 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.7 | -42.9 | 177.6 | -170.2 | 177 | -178.7 | 0 | 0 | 111.8 | E76 K77 M83 K84 | E76-E80 PolarHBondContact O-N 2.98Å; K77-E80 PolarHBondContact O-N 2.84Å; E80-M83 PolarHBondContact O-N 2.9Å; E80-K84 WeakPolarHBondContact O-CB 3.31Å; E80-K84 PolarHBondContact O-N 3.35Å |
| 81 | E | 87.4 | Confident | 80.3 | Confident | 134 Ų | 134 | 110.3 Ų | 110.3 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.1 | -43 | 176.1 | -162 | 174.9 | -166.2 | 0 | 0 | 111.4 | K77 M83 K84 L85 | K77-E81 PolarHBondContact O-N 2.72Å; E81-M83 PolarHBondContact O-N 3.2Å; E81-K84 WeakPolarHBondContact O-CB 3.16Å; E81-K84 PolarHBondContact O-N 3.38Å; E81-K84 VanDerWaalsContact O-N 3.15Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.22Å |
| 82 | A | 88.3 | Confident | 81.9 | Confident | 45 Ų | 45 | 110.8 Ų | 110.8 | 37% | 0.372 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62 | -41.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | A78 K84 L85 L86 | A78-A82 WeakPolarHBondContact O-CB 3.31Å; A78-A82 PolarHBondContact O-N 3.12Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 2.78Å; A82-L85 PolarHBondContact O-N 2.93Å; A82-L86 WeakPolarHBondContact O-CG 3.15Å; A82-L86 PolarHBondContact O-N 3.24Å |
| 83 | M | 91.5 | Very high | 83.3 | Confident | 91 Ų | 91 | 110.8 Ų | 110.8 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64 | -35.2 | 173.7 | -85.8 | -140 | -67.3 | 0 | 0 | 112.3 | K79 E80 E81 L86 K87 | K79-M83 WeakPolarHBondContact O-CB 3.5Å; K79-M83 WeakPolarHBondContact O-CG 3.13Å; K79-M83 PolarHBondContact O-N 2.97Å; E80-M83 PolarHBondContact O-N 2.9Å; E81-M83 PolarHBondContact O-N 3.2Å; M83-L86 PolarHBondContact O-N 3.32Å; M83-K87 WeakPolarHBondContact O-CB 3.4Å; M83-K87 VanDerWaalsContact O-CG 3.29Å; M83-K87 WeakPolarHBondContact O-CG 3.47Å; M83-K87 PolarHBondContact O-N 3.48Å |
| 84 | K | 92 | Very high | 84.4 | Confident | 155 Ų | 155 | 109 Ų | 109 | 67% | 0.674 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.9 | -41.5 | 176.4 | -166.7 | 175.7 | -178.8 | -179.7 | 0 | 111.3 | E80 E81 A82 K87 S88 | E80-K84 WeakPolarHBondContact O-CB 3.31Å; E80-K84 PolarHBondContact O-N 3.35Å; E81-K84 WeakPolarHBondContact O-CB 3.16Å; E81-K84 PolarHBondContact O-N 3.38Å; E81-K84 VanDerWaalsContact O-N 3.15Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 2.78Å; K84-K87 PolarHBondContact O-N 2.91Å; K84-S88 WeakPolarHBondContact O-CB 3.28Å; K84-S88 PolarHBondContact O-N 3.4Å; K84-S88 PolarHBondContact O-OG 3.45Å |
| 85 | L | 93.8 | Very high | 84.9 | Confident | 71 Ų | 71 | 110.4 Ų | 110.4 | 37% | 0.372 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.8 | -33.8 | 176.6 | -66.9 | 173 | 0 | 0 | 0 | 113.1 | E81 A82 S88 G89 A90 I91 | E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.22Å; A82-L85 PolarHBondContact O-N 2.93Å; L85-S88 PolarHBondContact O-OG 3.49Å; L85-G89 PolarHBondContact O-N 3.06Å; L85-A90 HydrophobicContact CB-CB 4.43Å; L85-A90 HydrophobicContact CD2-CB 3.9Å; L85-A90 PolarHBondContact O-N 3.28Å; L85-I91 HydrophobicContact CB-CD1 3.66Å; L85-I91 HydrophobicContact CB-CG1 3.96Å; L85-I91 HydrophobicContact CD1-CD1 3.77Å; L85-I91 HydrophobicContact CG-CD1 4.34Å; L85-I91 PolarHBondContact O-N 3.26Å; L85-I91 VanDerWaalsContact O-N 3.13Å |
| 86 | L | 90.7 | Very high | 85.1 | Confident | 76 Ų | 76 | 106 Ų | 106 | 40% | 0.398 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.9 | -45.9 | 170.3 | -75.5 | 162.8 | 0 | 0 | 0 | 111.4 | A82 M83 G89 I91 I93 | A82-L86 WeakPolarHBondContact O-CG 3.15Å; A82-L86 PolarHBondContact O-N 3.24Å; M83-L86 PolarHBondContact O-N 3.32Å; L86-G89 PolarHBondContact O-N 3.44Å; L86-I91 HydrophobicContact CD2-CB 4.49Å; L86-I91 HydrophobicContact CD2-CG2 4.36Å; L86-I93 HydrophobicContact CD1-CD1 4.25Å; L86-I93 HydrophobicContact CD2-CD1 3.48Å; L86-I93 VanDerWaalsContact CD2-CD1 3.48Å; L86-I93 HydrophobicContact CD2-CG1 3.7Å |
| 87 | K | 92.8 | Very high | 84.8 | Confident | 174 Ų | 174 | 108.8 Ų | 108.8 | 76% | 0.757 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.9 | -35.1 | 179.2 | -76.2 | 178.1 | -179.7 | -177.4 | 0 | 113.1 | M83 K84 G89 | M83-K87 WeakPolarHBondContact O-CB 3.4Å; M83-K87 VanDerWaalsContact O-CG 3.29Å; M83-K87 WeakPolarHBondContact O-CG 3.47Å; M83-K87 PolarHBondContact O-N 3.48Å; K84-K87 PolarHBondContact O-N 2.91Å; K87-G89 PolarHBondContact O-N 3.46Å |
| 88 | S | 93 | Very high | 84.4 | Confident | 82 Ų | 82 | 110.2 Ų | 110.2 | 57% | 0.573 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -3.4 | 177.4 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | K84 L85 A90 | K84-S88 WeakPolarHBondContact O-CB 3.28Å; K84-S88 PolarHBondContact O-N 3.4Å; K84-S88 PolarHBondContact O-OG 3.45Å; L85-S88 PolarHBondContact O-OG 3.49Å; S88-A90 PolarHBondContact O-N 3.35Å; S88-A90 WeakPolarHBondContact OG-CB 3.3Å |
| 89 | G | 88.1 | Confident | 83.7 | Confident | 59 Ų | 59 | 118.1 Ų | 118.1 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | 12.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L85 L86 K87 I91 | L85-G89 PolarHBondContact O-N 3.06Å; L86-G89 PolarHBondContact O-N 3.44Å; K87-G89 PolarHBondContact O-N 3.46Å; G89-I91 VanDerWaalsContact C-N 3.29Å |
| 90 | A | 90.4 | Very high | 82.7 | Confident | 68 Ų | 68 | 119.6 Ų | 119.6 | 56% | 0.562 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -72.6 | -27.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L85 S88 | L85-A90 HydrophobicContact CB-CB 4.43Å; L85-A90 HydrophobicContact CD2-CB 3.9Å; L85-A90 PolarHBondContact O-N 3.28Å; S88-A90 PolarHBondContact O-N 3.35Å; S88-A90 WeakPolarHBondContact OG-CB 3.3Å |
| 91 | I | 82.2 | Confident | 81.7 | Confident | 78 Ų | 78 | 117.3 Ų | 117.3 | 40% | 0.4 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -120.8 | 123.4 | 170.7 | -59.3 | 173 | 0 | 0 | 0 | 107.5 | L85 L86 G89 | L85-I91 HydrophobicContact CB-CD1 3.66Å; L85-I91 HydrophobicContact CB-CG1 3.96Å; L85-I91 HydrophobicContact CD1-CD1 3.77Å; L85-I91 HydrophobicContact CG-CD1 4.34Å; L85-I91 PolarHBondContact O-N 3.26Å; L85-I91 VanDerWaalsContact O-N 3.13Å; L86-I91 HydrophobicContact CD2-CB 4.49Å; L86-I91 HydrophobicContact CD2-CG2 4.36Å; G89-I91 VanDerWaalsContact C-N 3.29Å |
| 92 | S | 84.3 | Confident | 80.8 | Confident | 105 Ų | 105 | 118.9 Ų | 118.9 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | trans | -105.4 | 124 | 169.5 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | E94 | S92-E94 PolarHBondContact O-N 3.35Š| ||
| 93 | I | 81.1 | Confident | 79.8 | Confident | 117 Ų | 117 | 125.9 Ų | 125.9 | 60% | 0.6 | 64% | 0.64 | S | S | * | * | trans | -90.9 | 97.3 | 172.1 | -58.9 | 169.9 | 0 | 0 | 0 | 106.3 | L86 N95 | L86-I93 HydrophobicContact CD1-CD1 4.25Å; L86-I93 HydrophobicContact CD2-CD1 3.48Å; L86-I93 VanDerWaalsContact CD2-CD1 3.48Å; L86-I93 HydrophobicContact CD2-CG1 3.7Å; I93-N95 PolarHBondContact O-N 3.03Å | ||
| 94 | E | 80.8 | Confident | 78.7 | Confident | 126 Ų | 126 | 132.1 Ų | 132.1 | 59% | 0.589 | 66% | 0.658 | S | S | * | * | trans | -66.4 | 124.5 | 165.3 | -81.3 | -177.3 | 130.4 | 0 | 0 | 108.6 | S92 K96 | S92-E94 PolarHBondContact O-N 3.35Å; E94-K96 HydrophobicContact CB-CD 4.22Å; E94-K96 HydrophobicContact CB-CG 4.18Å; E94-K96 VanDerWaalsContact CD-CE 3.44Å; E94-K96 PolarHBondContact O-N 3.29Å; E94-K96 WeakPolarHBondContact OE1-CE 3.38Å; E94-K96 IonicContact OE1-NZ 3.04Å; E94-K96 PolarHBondContact OE1-NZ 2.98Å; E94-K96 WeakPolarHBondContact OE2-CE 3.48Å; E94-K96 IonicContact OE2-NZ 2.64Å; E94-K96 PolarHBondContact OE2-NZ 3.26Å | ||
| 95 | N | 77 | Confident | 77.4 | Confident | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -70 | 70.2 | 171.7 | -66.5 | -31.7 | 0 | 0 | 0 | 109.9 | I93 | I93-N95 PolarHBondContact O-N 3.03Š| ||
| 96 | K | 71 | Confident | 76.1 | Confident | 127 Ų | 127 | 136.6 Ų | 136.6 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | trans | -101.4 | 104.3 | 172.3 | -71.2 | 175 | 179.3 | 167.3 | 0 | 107.4 | E94 E98 | E94-K96 HydrophobicContact CB-CD 4.22Å; E94-K96 HydrophobicContact CB-CG 4.18Å; E94-K96 VanDerWaalsContact CD-CE 3.44Å; E94-K96 PolarHBondContact O-N 3.29Å; E94-K96 WeakPolarHBondContact OE1-CE 3.38Å; E94-K96 IonicContact OE1-NZ 3.04Å; E94-K96 PolarHBondContact OE1-NZ 2.98Å; E94-K96 WeakPolarHBondContact OE2-CE 3.48Å; E94-K96 IonicContact OE2-NZ 2.64Å; E94-K96 PolarHBondContact OE2-NZ 3.26Å; K96-E98 HydrophobicContact CB-CB 4.46Å; K96-E98 PolarHBondContact O-N 3.37Å | ||
| 97 | N | 67.7 | Low | 74.7 | Confident | 158 Ų | 158 | 142.9 Ų | 142.9 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | -67 | 20.2 | 176.4 | -45.9 | -10.8 | 0 | 0 | 0 | 112.1 | R99 | N97-R99 PolarHBondContact O-N 2.88Å; N97-R99 VanDerWaalsContact O-N 3.13Å | ||
| 98 | E | 67.7 | Low | 72.5 | Confident | 156 Ų | 156 | 143.6 Ų | 143.6 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | trans | -85.7 | 94.6 | -171.2 | -158 | 162.3 | -154.4 | 0 | 0 | 107.4 | K96 H100 | K96-E98 HydrophobicContact CB-CB 4.46Å; K96-E98 PolarHBondContact O-N 3.37Å; E98-H100 PolarHBondContact O-N 3.27Å | ||
| 99 | R | 66.2 | Low | 70.6 | Confident | 224 Ų | 224 | 145.2 Ų | 145.2 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | trans | -58.3 | 92.8 | 168.7 | -74.5 | -178.5 | 175 | -174.3 | -1.1 | 107.9 | N97 T101 | N97-R99 PolarHBondContact O-N 2.88Å; N97-R99 VanDerWaalsContact O-N 3.13Å; R99-T101 PolarHBondContact O-N 3.14Å; R99-T101 PolarHBondContact O-OG1 3.26Å | ||
| 100 | H | 67.4 | Low | 68.9 | Low | 175 Ų | 175 | 150.8 Ų | 150.8 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -71.8 | 74.1 | 170.3 | -155.3 | 63.6 | 0 | 0 | 0 | 108.4 | E98 F102 | E98-H100 PolarHBondContact O-N 3.27Å; H100-F102 PolarHBondContact O-N 3.38Å | ||
| 101 | T | 62 | Low | 67.1 | Low | 94 Ų | 94 | 156.3 Ų | 156.3 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | trans | -81.5 | 111 | 169.2 | 37.1 | 0 | 0 | 0 | 0 | 106.8 | R99 K103 | R99-T101 PolarHBondContact O-N 3.14Å; R99-T101 PolarHBondContact O-OG1 3.26Å; T101-K103 VanDerWaalsContact C-N 3.31Å; T101-K103 PolarHBondContact O-N 3.05Å | ||
| 102 | F | 68.8 | Low | 65.9 | Low | 168 Ų | 168 | 160.2 Ų | 160.2 | 74% | 0.737 | 77% | 0.774 | S | S | * | * | trans | -58.2 | 98.5 | 165.7 | 37.9 | -88.9 | 0 | 0 | 0 | 107.5 | H100 R104 | H100-F102 PolarHBondContact O-N 3.38Å; F102-R104 VanDerWaalsContact C-N 3.29Å; F102-R104 PolarHBondContact O-N 3.07Å | ||
| 103 | K | 68 | Low | 64.4 | Low | 192 Ų | 192 | 163.4 Ų | 163.4 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -61.2 | 88.7 | 176.3 | -69.5 | -90.9 | -174.5 | 173.4 | 0 | 108.8 | T101 | T101-K103 VanDerWaalsContact C-N 3.31Å; T101-K103 PolarHBondContact O-N 3.05Å | ||
| 104 | R | 68.5 | Low | 63.2 | Low | 222 Ų | 222 | 164 Ų | 164 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 117.8 | 158.1 | -75.3 | -177.7 | 157 | 173.4 | -5.3 | 106.9 | F102 P106 | F102-R104 VanDerWaalsContact C-N 3.29Å; F102-R104 PolarHBondContact O-N 3.07Å; R104-P106 WeakPolarHBondContact O-CD 3.35Å |
| 105 | K | 63.7 | Low | 61.6 | Low | 200 Ų | 200 | 163.9 Ų | 163.9 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.7 | 178 | -71.5 | -81 | -174.9 | 166.6 | 0 | 109.7 | ||
| 106 | P | 65.9 | Low | 60.1 | Low | 120 Ų | 120 | 160.1 Ų | 160.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 136.1 | 166.4 | -13.4 | 28.4 | 0 | 0 | 0 | 109.4 | R104 | R104-P106 WeakPolarHBondContact O-CD 3.35Š|
| 107 | K | 62 | Low | 59 | Low | 208 Ų | 208 | 160.1 Ų | 160.1 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 118.5 | 175.2 | -170.5 | 168.4 | -178.8 | 176.2 | 0 | 107.7 | ||
| 108 | E | 46 | Very low | 58 | Low | 188 Ų | 188 | 159.2 Ų | 159.2 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 140.9 | 174.3 | -67.3 | 161.9 | 171.5 | 0 | 0 | 110.5 | ||
| 109 | S | 53.4 | Low | 57.4 | Low | 116 Ų | 116 | 157.1 Ų | 157.1 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -157.1 | 119.9 | 149.7 | 56.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 110 | E | 53.4 | Low | 56.5 | Low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -41.9 | 156.8 | 158.7 | -65.1 | 160.2 | 132.8 | 0 | 0 | 110.2 | ||||
| 111 | E | 53 | Low | 55.6 | Low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | -168.6 | 142.7 | 65.1 | -74 | 172.2 | -173.1 | 0 | 0 | 109 | |||||
| 112 | D | 56.2 | Low | 55.1 | Low | 159 Ų | 159 | 155.8 Ų | 155.8 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -74.7 | 142 | 175.5 | -81.4 | -48.8 | 0 | 0 | 0 | 112.7 | ||||
| 113 | E | 52.4 | Low | 54.3 | Low | 173 Ų | 173 | 153.9 Ų | 153.9 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 59.8 | 121.6 | 141.9 | -75.1 | -157.7 | 154.2 | 0 | 0 | 123.5 | ||||
| 114 | V | 55.9 | Low | 53.8 | Low | 130 Ų | 130 | 154.7 Ų | 154.7 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | 103.5 | 138 | 132.1 | 166.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 115 | P | 47.1 | Very low | 53.4 | Low | 122 Ų | 122 | 152.6 Ų | 152.6 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | -125.6 | 165.5 | -125.9 | 40.6 | -27.9 | 0 | 0 | 0 | 116.4 | |||||
| 116 | G | 45.6 | Very low | 53.1 | Low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 134.5 | 161.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 117 | P | 48.8 | Very low | 53 | Low | 126 Ų | 126 | 149 Ų | 149 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -118 | 179.6 | -94.5 | 37.2 | -30.1 | 0 | 0 | 0 | 112.7 | |||||
| 118 | N | 47 | Very low | 53.1 | Low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 83.9 | 99.2 | 153.3 | -155.3 | -8 | 0 | 0 | 0 | 116.6 | ||||
| 119 | V | 53.8 | Low | 53.8 | Low | 112 Ų | 112 | 149.6 Ų | 149.6 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | 171.3 | 126.3 | 109.9 | -87.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 120 | N | 47 | Very low | 54.6 | Low | 136 Ų | 136 | 150.8 Ų | 150.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 70.3 | 115.4 | 151.9 | -61 | -39.7 | 0 | 0 | 0 | 120.9 | K122 | N120-K122 PolarHBondContact O-N 2.76Š| ||
| 121 | P | 48.5 | Very low | 55.1 | Low | 132 Ų | 132 | 149.5 Ų | 149.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -76.4 | 109.5 | 166.8 | 31 | -29 | 0 | 0 | 0 | 110.1 | V123 | P121-V123 PolarHBondContact O-N 3.05Š| ||
| 122 | K | 51.6 | Low | 55.6 | Low | 197 Ų | 197 | 148.3 Ų | 148.3 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -73.4 | 106.8 | 169.2 | -75 | 178.4 | 178.5 | 173.1 | 0 | 110.2 | N120 K124 | N120-K122 PolarHBondContact O-N 2.76Å; K122-K124 PolarHBondContact O-N 3.16Å | ||
| 123 | V | 53.5 | Low | 56.2 | Low | 129 Ų | 129 | 146.7 Ų | 146.7 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | 17.2 | 94.2 | 142.1 | -170.9 | 0 | 0 | 0 | 0 | 115.4 | P121 Q125 | P121-V123 PolarHBondContact O-N 3.05Å; V123-Q125 PolarHBondContact O-N 3.34Å | ||
| 124 | K | 57 | Low | 56.8 | Low | 208 Ų | 208 | 141.1 Ų | 141.1 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -76.3 | 107.3 | 156.5 | -72.9 | -179.3 | 179.4 | 176.3 | 0 | 107.5 | K122 S126 | K122-K124 PolarHBondContact O-N 3.16Å; K124-S126 PolarHBondContact O-N 3.01Å; K124-S126 VanDerWaalsContact O-N 3.16Å | ||
| 125 | Q | 60.5 | Low | 57.1 | Low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -56.6 | 116.8 | 173.4 | -79.2 | 174.9 | -21.8 | 0 | 0 | 109.9 | V123 L127 | V123-Q125 PolarHBondContact O-N 3.34Å; Q125-L127 PolarHBondContact O-N 2.87Å | ||
| 126 | S | 57.5 | Low | 57.6 | Low | 89 Ų | 89 | 142.3 Ų | 142.3 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | trans | -66.4 | 110.5 | 172 | 53.9 | 0 | 0 | 0 | 0 | 110 | K124 Y128 | K124-S126 PolarHBondContact O-N 3.01Å; K124-S126 VanDerWaalsContact O-N 3.16Å; S126-Y128 PolarHBondContact O-N 3.12Å | ||
| 127 | L | 63.4 | Low | 58 | Low | 156 Ų | 156 | 146.1 Ų | 146.1 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -61 | -8.6 | 175.1 | -75.6 | 165 | 0 | 0 | 0 | 114.2 | Q125 | Q125-L127 PolarHBondContact O-N 2.87Š|
| 128 | Y | 63 | Low | 58.1 | Low | 187 Ų | 187 | 147.6 Ų | 147.6 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -87.7 | -1.1 | -175.8 | -101.6 | -92.4 | 0 | 0 | 0 | 115.7 | S126 N130 F131 | S126-Y128 PolarHBondContact O-N 3.12Å; Y128-N130 PolarHBondContact O-N 2.9Å; Y128-F131 AromaticContact CD1-CD2 3.76Å; Y128-F131 HydrophobicContact CD1-CD2 3.76Å; Y128-F131 AromaticContact CD1-CE2 3.91Å; Y128-F131 HydrophobicContact CD1-CE2 3.91Å; Y128-F131 HydrophobicContact CE1-CD2 4.08Å; Y128-F131 AromaticContact CE1-CE2 3.89Å; Y128-F131 HydrophobicContact CE1-CE2 3.89Å |
| 129 | R | 61.2 | Low | 58.1 | Low | 221 Ų | 221 | 145.6 Ų | 145.6 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -72.2 | -9.4 | -178.6 | -153.8 | -173.6 | 179 | 175.6 | 1.3 | 114.1 | F131 | R129-F131 VanDerWaalsContact C-N 3.34Å; R129-F131 PolarHBondContact O-N 3.29Å |
| 130 | N | 71.3 | Confident | 57.8 | Low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -84.9 | -3.4 | -175.8 | -65.1 | -23 | 0 | 0 | 0 | 114.5 | Y128 L132 | Y128-N130 PolarHBondContact O-N 2.9Å; N130-L132 PolarHBondContact O-N 2.81Å |
| 131 | F | 63.1 | Low | 57.6 | Low | 149 Ų | 149 | 145.7 Ų | 145.7 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | trans | -88.8 | 82.1 | 174.1 | -62.8 | -77.9 | 0 | 0 | 0 | 109.6 | Y128 R129 P133 | Y128-F131 AromaticContact CD1-CD2 3.76Å; Y128-F131 HydrophobicContact CD1-CD2 3.76Å; Y128-F131 AromaticContact CD1-CE2 3.91Å; Y128-F131 HydrophobicContact CD1-CE2 3.91Å; Y128-F131 HydrophobicContact CE1-CD2 4.08Å; Y128-F131 AromaticContact CE1-CE2 3.89Å; Y128-F131 HydrophobicContact CE1-CE2 3.89Å; R129-F131 VanDerWaalsContact C-N 3.34Å; R129-F131 PolarHBondContact O-N 3.29Å; F131-P133 WeakPolarHBondContact O-CD 3.44Å | ||
| 132 | L | 62.5 | Low | 57.5 | Low | 160 Ų | 160 | 145 Ų | 145 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 123.1 | 161.8 | -75.8 | 166.2 | 0 | 0 | 0 | 108.2 | N130 G134 | N130-L132 PolarHBondContact O-N 2.81Å; L132-G134 PolarHBondContact O-N 3.42Å; L132-G134 VanDerWaalsContact O-N 3.13Å | ||
| 133 | P | 70.5 | Confident | 57.3 | Low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -61.6 | 114.7 | 169.8 | -19.6 | 32.4 | 0 | 0 | 0 | 109.1 | F131 | F131-P133 WeakPolarHBondContact O-CD 3.44Š| ||
| 134 | G | 63.4 | Low | 57.1 | Low | 56 Ų | 56 | 145.2 Ų | 145.2 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | trans | -65.4 | 154.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L132 I136 | L132-G134 PolarHBondContact O-N 3.42Å; L132-G134 VanDerWaalsContact O-N 3.13Å; G134-I136 PolarHBondContact O-N 2.93Å | ||
| 135 | P | 63.8 | Low | 56.7 | Low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -59.9 | 130.1 | -171.8 | 23.4 | -33.1 | 0 | 0 | 0 | 112.2 | L137 | P135-L137 PolarHBondContact O-N 2.99Š| ||
| 136 | I | 56.9 | Low | 55.9 | Low | 153 Ų | 153 | 147.2 Ų | 147.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -72.7 | 109.3 | 171.6 | -56.9 | 169.5 | 0 | 0 | 0 | 107 | G134 | G134-I136 PolarHBondContact O-N 2.93Š| ||
| 137 | L | 53.8 | Low | 55.6 | Low | 150 Ų | 150 | 151.2 Ų | 151.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -80.8 | 125.3 | 164.5 | -66.2 | 174.5 | 0 | 0 | 0 | 107.5 | P135 | P135-L137 PolarHBondContact O-N 2.99Š| ||
| 138 | N | 52.1 | Low | 54.5 | Low | 156 Ų | 156 | 150.5 Ų | 150.5 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 96.2 | 82.8 | 177.8 | -50.3 | -21.2 | 0 | 0 | 0 | 115.3 | ||||
| 139 | A | 45 | Very low | 53.7 | Low | 98 Ų | 98 | 148.4 Ų | 148.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -132.2 | 91.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 140 | L | 48.8 | Very low | 53.1 | Low | 183 Ų | 183 | 143.2 Ų | 143.2 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 123.8 | 160.2 | -126.4 | 91.7 | 0 | 0 | 0 | 106 | ||
| 141 | G | 41.7 | Very low | 52 | Low | 66 Ų | 66 | 141.4 Ų | 141.4 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 166 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 142 | P | 46.8 | Very low | 50.9 | Low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 149.4 | -171.4 | 36.6 | -31.3 | 0 | 0 | 0 | 111 | ||
| 143 | E | 48.2 | Very low | 50.5 | Low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -150.6 | 148.4 | 152.1 | -89.8 | -52.4 | 141 | 0 | 0 | 109 | ||||
| 144 | E | 48.8 | Very low | 49.4 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -78 | 148.8 | -152.5 | -56.1 | 165.3 | 147.7 | 0 | 0 | 114.3 | ||||
| 145 | K | 48.9 | Very low | 48.5 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | 168.2 | 125.1 | 116.9 | -89 | 158.4 | -172.7 | 176.1 | 0 | 111.2 | |||||
| 146 | R | 43.4 | Very low | 47.7 | Very low | 231 Ų | 231 | 149.2 Ų | 149.2 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -71.4 | 144.3 | 172 | -57.7 | -176.6 | 174.9 | -179.1 | -1.7 | 109.7 | ||||
| 147 | I | 51.2 | Low | 46.7 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | -156.3 | 118 | 139.7 | -85.5 | 133.2 | 0 | 0 | 0 | 105.9 | ||||
| 148 | D | 40.5 | Very low | 46.4 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | -65.2 | 154.6 | 167.2 | -67.5 | -58.3 | 0 | 0 | 0 | 110.6 | ||||
| 149 | V | 45.8 | Very low | 46 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | 172.4 | 121.2 | 126.5 | 158 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 150 | S | 48 | Very low | 45.9 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -47.4 | 147.8 | 167.5 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 151 | S | 49.3 | Very low | 45.5 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | -176.7 | 130.6 | 115.2 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 152 | N | 40.4 | Very low | 45.5 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -73.9 | 144.3 | 164.9 | -76.6 | -45 | 0 | 0 | 0 | 109.9 | ||||
| 153 | Y | 52.7 | Low | 45.4 | Very low | 215 Ų | 215 | 150.7 Ų | 150.7 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -141.4 | 137.6 | 143.8 | 39.9 | -91.2 | 0 | 0 | 0 | 110.8 | ||||
| 154 | K | 48.2 | Very low | 45 | Very low | 202 Ų | 202 | 149.8 Ų | 149.8 | 88% | 0.878 | 83% | 0.831 | S | S | * | * | trans | -66.9 | 156.5 | -176.1 | -88.3 | 172.4 | 165.6 | 175 | 0 | 113 | ||||
| 155 | A | 43.7 | Very low | 44.7 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | trans | 58.9 | 123.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 156 | A | 47.3 | Very low | 44.7 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | 177.5 | 131.8 | 94.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 157 | T | 37.2 | Very low | 44.9 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -56.9 | 135.4 | 161.9 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 158 | C | 46.2 | Very low | 44.7 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -161.2 | 131.2 | 142.7 | -104.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 159 | E | 43.3 | Very low | 45.1 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -64.1 | 147.8 | 169.1 | -57.2 | -107.5 | 146.6 | 0 | 0 | 110.3 | ||||
| 160 | G | 43.5 | Very low | 45.3 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | 165.6 | 96.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C162 | G160-C162 PolarHBondContact O-N 3.12Š| ||
| 161 | N | 40.5 | Very low | 45.5 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | trans | -60.9 | 126.2 | 164.9 | -73.9 | -28.7 | 0 | 0 | 0 | 109.7 | ||||
| 162 | C | 41.2 | Very low | 45.5 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 90% | 0.899 | 84% | 0.836 | S | S | * | * | trans | -142.1 | 127.8 | 154.8 | -85.5 | 0 | 0 | 0 | 0 | 108.6 | G160 | G160-C162 PolarHBondContact O-N 3.12Š| ||
| 163 | T | 44.6 | Very low | 45.8 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 79% | 0.791 | 84% | 0.84 | S | S | * | * | trans | -71.1 | 148 | 176.1 | 38.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 164 | D | 41.2 | Very low | 45.5 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 84% | 0.84 | 84% | 0.835 | S | S | * | * | trans | 80.7 | 132.5 | 147.8 | -76.2 | -29.7 | 0 | 0 | 0 | 123 | ||||
| 165 | A | 41.4 | Very low | 45.5 | Very low | 89 Ų | 89 | 150.6 Ų | 150.6 | 74% | 0.736 | 84% | 0.836 | S | S | * | * | trans | 71.8 | 97.9 | 151 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 166 | S | 48.8 | Very low | 45.8 | Very low | 128 Ų | 128 | 155.4 Ų | 155.4 | 90% | 0.895 | 84% | 0.842 | S | S | * | * | trans | -165.3 | 92 | 132.1 | -74.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 167 | E | 47.8 | Very low | 45.8 | Very low | 172 Ų | 172 | 157.5 Ų | 157.5 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -49.6 | 125.1 | 156.6 | -147.6 | -178.2 | 165.1 | 0 | 0 | 108.7 | ||||
| 168 | T | 48 | Very low | 46 | Very low | 110 Ų | 110 | 158.4 Ų | 158.4 | 68% | 0.675 | 84% | 0.839 | S | S | * | * | 166.9 | 122.2 | 90.9 | 26.3 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 169 | L | 48.8 | Very low | 46.1 | Very low | 181 Ų | 181 | 160.4 Ų | 160.4 | 95% | 0.948 | 84% | 0.839 | S | S | * | * | trans | -163.2 | 94.6 | 144.1 | -97.2 | 177 | 0 | 0 | 0 | 107.1 | ||||
| 170 | R | 48.7 | Very low | 46.2 | Very low | 225 Ų | 225 | 158.8 Ų | 158.8 | 85% | 0.849 | 84% | 0.836 | S | S | * | * | trans | -67.5 | 141.7 | 173.2 | -68.4 | 173.2 | 170.3 | 175.1 | -2.8 | 109.5 | ||||
| 171 | T | 53 | Low | 46.3 | Very low | 130 Ų | 130 | 163.4 Ų | 163.4 | 80% | 0.798 | 84% | 0.843 | S | S | * | * | -175 | 120.4 | 128.2 | 24.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 172 | K | 48.3 | Very low | 46.4 | Very low | 198 Ų | 198 | 162.3 Ų | 162.3 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | S | Bend | trans | 66 | 75.8 | 146.1 | -60.3 | -176.6 | 177.9 | 178.4 | 0 | 120.7 | ||
| 173 | R | 48.2 | Very low | 46.7 | Very low | 256 Ų | 256 | 161.9 Ų | 161.9 | 97% | 0.966 | 83% | 0.826 | S | S | * | * | trans | -164.8 | 39.9 | 144 | -141.9 | 178.7 | -178.8 | 129.6 | -1.6 | 116.8 | ||||
| 174 | K | 46.1 | Very low | 47 | Very low | 174 Ų | 174 | 163.1 Ų | 163.1 | 76% | 0.757 | 82% | 0.82 | S | S | * | * | trans | -145.4 | 83.6 | -179.1 | -151.9 | 175.6 | -176.1 | -178.9 | 0 | 113.1 | ||||
| 175 | Q | 47.2 | Very low | 46.9 | Very low | 191 Ų | 191 | 162.8 Ų | 162.8 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -146.6 | 85 | 160.7 | -77.1 | -173.8 | -17.3 | 0 | 0 | 107 | ||
| 176 | Q | 50.3 | Low | 47.3 | Very low | 197 Ų | 197 | 167 Ų | 167 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -179.8 | 17.9 | 158 | -104.3 | 179.3 | 39.7 | 0 | 0 | 114.1 | ||
| 177 | L | 47.8 | Very low | 47 | Very low | 143 Ų | 143 | 167.9 Ų | 167.9 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -146.3 | 86.4 | 176.8 | -159.6 | 91.8 | 0 | 0 | 0 | 108.9 | ||
| 178 | N | 41.7 | Very low | 46.8 | Very low | 151 Ų | 151 | 165.2 Ų | 165.2 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | trans | 173.3 | 87.8 | 162 | -90.2 | -8.8 | 0 | 0 | 0 | 108.7 | ||||
| 179 | L | 48.4 | Very low | 46.5 | Very low | 170 Ų | 170 | 167.4 Ų | 167.4 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | -146 | 122.2 | 160.6 | -104.3 | 154.3 | 0 | 0 | 0 | 106.8 | ||||
| 180 | L | 44.9 | Very low | 46.3 | Very low | 158 Ų | 158 | 166.9 Ų | 166.9 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | 86.5 | 69.4 | 161.6 | -132.2 | 68.9 | 0 | 0 | 0 | 118 | ||||
| 181 | L | 45.1 | Very low | 46 | Very low | 171 Ų | 171 | 164.7 Ų | 164.7 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | -107.3 | 106.9 | 139 | -92 | 83.5 | 0 | 0 | 0 | 106.7 | ||||
| 182 | D | 43.4 | Very low | 46 | Very low | 146 Ų | 146 | 164.3 Ų | 164.3 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | -149.9 | 114.1 | 154.1 | -96.2 | -31.1 | 0 | 0 | 0 | 109.1 | ||||
| 183 | D | 47.7 | Very low | 46.1 | Very low | 123 Ų | 123 | 158.1 Ų | 158.1 | 66% | 0.658 | 79% | 0.791 | S | S | * | * | trans | 77.6 | 127 | 136.6 | -107.6 | -26.8 | 0 | 0 | 0 | 122.9 | ||||
| 184 | K | 49.4 | Very low | 46.2 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | 96.2 | 103.8 | 157.2 | -46 | -48.6 | 174 | -150.6 | 0 | 119.3 | ||||
| 185 | N | 39.8 | Very low | 46.3 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 47.4 | 102 | 133.5 | -75.9 | -68.3 | 0 | 0 | 0 | 118.8 | ||||
| 186 | L | 49.7 | Very low | 46.6 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | -167.2 | 141.5 | 126.7 | -128.4 | 75.3 | 0 | 0 | 0 | 111 | |||||
| 187 | D | 42.3 | Very low | 46.9 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -46.7 | 140.4 | -178.5 | -74.9 | -58.3 | 0 | 0 | 0 | 117 | ||||
| 188 | T | 45.2 | Very low | 47.6 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 67.4 | 102.4 | 143.9 | -43.8 | 0 | 0 | 0 | 0 | 119.3 | ||
| 189 | D | 41.6 | Very low | 48.9 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | 47.4 | 67.7 | 145.2 | -75.2 | -20.1 | 0 | 0 | 0 | 119.2 | ||||
| 190 | Q | 43 | Very low | 51 | Low | 171 Ų | 171 | 129 Ų | 129 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | trans | -143.1 | 76.1 | 156.9 | -73.1 | -154.3 | 85.2 | 0 | 0 | 113.3 | H192 | Q190-H192 PolarHBondContact O-N 3.36Š| ||
| 191 | L | 43.2 | Very low | 53.4 | Low | 178 Ų | 178 | 122.1 Ų | 122.1 | 93% | 0.932 | 65% | 0.646 | S | S | * | * | trans | -90.5 | 79.9 | 161.3 | -71.2 | 175.5 | 0 | 0 | 0 | 110.2 | ||||
| 192 | H | 53.1 | Low | 55.9 | Low | 123 Ų | 123 | 114 Ų | 114 | 57% | 0.569 | 60% | 0.603 | S | S | * | * | trans | -110.3 | 119.2 | 167.8 | -87.1 | -94.4 | 0 | 0 | 0 | 110.7 | Q190 | Q190-H192 PolarHBondContact O-N 3.36Š| ||
| 193 | P | 50.7 | Low | 58.4 | Low | 68 Ų | 68 | 109.7 Ų | 109.7 | 44% | 0.442 | 58% | 0.576 | S | S | . | * | trans | -65.8 | 144.2 | 176 | 26.2 | -32.9 | 0 | 0 | 0 | 111.1 | N195 | P193-N195 PolarHBondContact O-N 3.38Š| ||
| 194 | P | 48.9 | Very low | 60.7 | Low | 123 Ų | 123 | 103.8 Ų | 103.8 | 80% | 0.799 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 80 | -167.2 | 34.1 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 195 | N | 49.8 | Very low | 63 | Low | 162 Ų | 162 | 96.9 Ų | 96.9 | 87% | 0.866 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 175.2 | 15.7 | 157.5 | -106.7 | -56.7 | 0 | 0 | 0 | 114.4 | P193 | P193-N195 PolarHBondContact O-N 3.38Š|
| 196 | R | 52.6 | Low | 65.7 | Low | 151 Ų | 151 | 91.1 Ų | 91.1 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -75.9 | 130.3 | 174.4 | -67.3 | -172.6 | -167.7 | -169.4 | 6.4 | 109.2 | T198 | R196-T198 PolarHBondContact O-N 3.07Š|
| 197 | P | 56.1 | Low | 67.8 | Low | 61 Ų | 61 | 86.4 Ų | 86.4 | 40% | 0.396 | 46% | 0.458 | S | S | . | . | trans | -49.6 | 119.6 | 168.5 | -20.7 | 29.4 | 0 | 0 | 0 | 107.9 | H199 P270 | P197-H199 PolarHBondContact O-N 2.89Å; P197-H199 PolarHBondContact O-ND1 3.08Å; P197-P270 HydrophobicContact CG-CB 4.4Å; P197-P270 HydrophobicContact CG-CG 4.37Å | ||
| 198 | T | 62.4 | Low | 70.2 | Confident | 111 Ų | 111 | 84 Ų | 84 | 68% | 0.681 | 45% | 0.445 | S | S | * | . | trans | -47 | 113 | -179.6 | 42.8 | 0 | 0 | 0 | 0 | 108 | R196 S200 | R196-T198 PolarHBondContact O-N 3.07Å; T198-S200 PolarHBondContact O-N 2.88Å | ||
| 199 | H | 70.8 | Confident | 72.6 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | trans | -67.5 | 92.8 | -163.9 | -61.6 | -64.3 | 0 | 0 | 0 | 109.8 | P197 T201 N243 Y266 | P197-H199 PolarHBondContact O-N 2.89Å; P197-H199 PolarHBondContact O-ND1 3.08Å; H199-T201 VanDerWaalsContact C-N 3.32Å; H199-N243 PolarHBondContact O-ND2 2.83Å; H199-N243 VanDerWaalsContact O-ND2 3.16Å; H199-Y266 HydrophobicContact CB-CD1 3.62Å; H199-Y266 HydrophobicContact CB-CE1 4.12Å; H199-Y266 HydrophobicContact CB-CG 4.31Å; H199-Y266 VanDerWaalsContact O-CE1 3.24Å; H199-Y266 WeakPolarHBondContact O-CE1 3.37Å | ||
| 200 | S | 92.1 | Very high | 75.2 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 22% | 0.217 | 39% | 0.394 | C | S | . | . | trans | -89.4 | -5.6 | 172.1 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | T198 M240 | T198-S200 PolarHBondContact O-N 2.88Å; S200-M240 WeakPolarHBondContact CB-O 3.34Å; S200-M240 PolarHBondContact O-N 3.45Å | ||
| 201 | T | 95 | Very high | 77.7 | Confident | 13 Ų | 13 | 71.4 Ų | 71.4 | 8% | 0.08 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123 | -179.4 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | H199 V238 T239 A267 F271 | H199-T201 VanDerWaalsContact C-N 3.32Å; T201-V238 CarbonylContact C-O 3.49Å; T201-V238 VanDerWaalsContact CA-O 3.29Å; T201-V238 WeakPolarHBondContact CA-O 3.32Å; T201-T239 PolarHBondContact OG1-OG1 3.11Å; T201-A267 HydrophobicContact CG2-CB 3.93Å; T201-A267 VanDerWaalsContact O-CB 3.29Å; T201-A267 WeakPolarHBondContact O-CB 3.46Å; T201-A267 PolarHBondContact O-N 3.3Å; T201-F271 HydrophobicContact CG2-CD2 4.29Å |
| 202 | L | 96.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143.2 | 178.6 | -58.4 | 173.7 | 0 | 0 | 0 | 109.9 | F218 Y237 V238 M240 A246 A249 L250 V264 S265 Y266 | L202-F218 HydrophobicContact CD1-CD1 4.41Å; L202-F218 HydrophobicContact CD1-CE1 3.78Å; L202-Y237 CarbonylContact O-C 3.52Å; L202-Y237 VanDerWaalsContact O-CA 3.27Å; L202-Y237 WeakPolarHBondContact O-CA 3.36Å; L202-V238 PolarHBondContact N-O 2.83Å; L202-V238 PolarHBondContact O-N 3.48Å; L202-M240 HydrophobicContact CD1-CG 4.2Å; L202-A246 HydrophobicContact CD1-CB 4.46Å; L202-A246 HydrophobicContact CD2-CB 4.26Å; L202-A246 HydrophobicContact CG-CB 4.37Å; L202-A249 HydrophobicContact CD1-CB 3.68Å; L202-L250 HydrophobicContact CD2-CD1 4.31Å; L202-V264 HydrophobicContact CB-CG1 4.31Å; L202-V264 HydrophobicContact CD1-CG1 4.13Å; L202-S265 CarbonylContact C-O 3.51Å; L202-S265 WeakPolarHBondContact CA-O 3.21Å; L202-Y266 HydrophobicContact CD2-CD1 3.89Å; L202-Y266 HydrophobicContact CD2-CE1 3.99Å |
| 203 | Y | 96.6 | Very high | 82.3 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.8 | 162.7 | 170.9 | -89.8 | 0 | 0 | 0 | 108.3 | H235 Y237 V264 S265 | Y203-H235 HydrophobicContact CD2-CB 4.4Å; Y203-H235 HydrophobicContact CE2-CB 3.51Å; Y203-H235 AromaticContact CE2-CD2 3.81Å; Y203-H235 AromaticContact CE2-CG 3.88Å; Y203-Y237 HydrophobicContact CD2-CD1 4.31Å; Y203-Y237 AromaticContact CD2-CE1 3.72Å; Y203-Y237 HydrophobicContact CD2-CE1 3.72Å; Y203-Y237 HydrophobicContact CG-CE1 4.48Å; Y203-V264 WeakPolarHBondContact O-CA 3.34Å; Y203-S265 PolarHBondContact N-O 3.03Å; Y203-S265 PolarHBondContact O-N 3.3Å |
| 204 | V | 96.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 113.5 | 178.2 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | I209 I214 F218 H235 A236 V238 L262 R263 | V204-I209 HydrophobicContact CG1-CD1 4.35Å; V204-I209 WeakPolarHBondContact O-CD1 3.32Å; V204-I214 HydrophobicContact CB-CD1 4.29Å; V204-I214 HydrophobicContact CG1-CD1 3.81Å; V204-F218 HydrophobicContact CG1-CE2 4.24Å; V204-F218 HydrophobicContact CG1-CZ 4.38Å; V204-F218 HydrophobicContact CG2-CE1 4.35Å; V204-F218 HydrophobicContact CG2-CE2 3.82Å; V204-F218 HydrophobicContact CG2-CZ 3.43Å; V204-F218 VanDerWaalsContact CG2-CZ 3.43Å; V204-H235 CarbonylContact O-C 3.45Å; V204-H235 WeakPolarHBondContact O-CA 3.15Å; V204-A236 PolarHBondContact N-O 2.89Å; V204-A236 PolarHBondContact O-N 3.42Å; V204-V238 HydrophobicContact CG2-CB 4.43Å; V204-V238 HydrophobicContact CG2-CG2 3.67Å; V204-L262 HydrophobicContact CG1-CD1 3.52Å; V204-L262 HydrophobicContact CG1-CG 4.3Å; V204-R263 CarbonylContact C-O 3.5Å; V204-R263 VanDerWaalsContact CA-O 3.31Å; V204-R263 WeakPolarHBondContact CA-O 3.34Å |
| 205 | G | 96.5 | Very high | 86.8 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | R263 | G205-R263 PolarHBondContact N-O 3.36Å; G205-R263 PolarHBondContact O-N 2.93Å |
| 206 | Y | 96.4 | Very high | 89 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | trans | -164.1 | 153.2 | 178 | -168.5 | -98.8 | 0 | 0 | 0 | 109.6 | I209 F213 N234 V257 S258 R260 L262 | Y206-I209 HydrophobicContact CD1-CG1 4.15Å; Y206-I209 HydrophobicContact CG-CG1 4.38Å; Y206-I209 WeakPolarHBondContact O-CD1 3.49Å; Y206-I209 WeakPolarHBondContact O-CG1 3.39Å; Y206-F213 AromaticContact CD1-CE1 3.75Å; Y206-F213 HydrophobicContact CD1-CE1 3.75Å; Y206-F213 AromaticContact CD1-CZ 3.95Å; Y206-F213 HydrophobicContact CD1-CZ 3.95Å; Y206-F213 HydrophobicContact CE1-CE1 4.03Å; Y206-F213 HydrophobicContact CE1-CE2 4.42Å; Y206-F213 AromaticContact CE1-CZ 3.77Å; Y206-F213 HydrophobicContact CE1-CZ 3.77Å; Y206-F213 HydrophobicContact CG-CE1 4.21Å; Y206-F213 HydrophobicContact CG-CZ 4.42Å; Y206-N234 PolarHBondContact N-O 3.17Å; Y206-N234 VanDerWaalsContact N-O 3.12Å; Y206-N234 CarbonylContact O-C 3.04Å; Y206-N234 WeakPolarHBondContact O-CA 3.48Å; Y206-V257 HydrophobicContact CE2-CB 4.34Å; Y206-V257 PolarHBondContact OH-O 3.46Å; Y206-S258 VanDerWaalsContact OH-CB 3.32Å; Y206-S258 WeakPolarHBondContact OH-CB 3.42Å; Y206-R260 HydrophobicContact CD2-CB 4.46Å; Y206-R260 HydrophobicContact CE2-CB 3.65Å; Y206-L262 HydrophobicContact CD2-CD1 3.9Å; Y206-L262 HydrophobicContact CG-CD1 4.05Å | ||
| 207 | H | 94.6 | Very high | 91 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 138.1 | -176.1 | -176.3 | 59.3 | 0 | 0 | 0 | 112 | I209 N234 R260 | H207-I209 VanDerWaalsContact C-N 3.31Å; H207-I209 PolarHBondContact O-N 3.49Å; H207-N234 PolarHBondContact ND1-OD1 2.91Å; H207-R260 PolarHBondContact CD2-NH1 3.44Å |
| 208 | N | 93.4 | Very high | 93 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 47.6 | -180 | -60.6 | -24.6 | 0 | 0 | 0 | 112.9 | T210 S233 | N208-T210 PolarHBondContact O-N 2.95Å; N208-S233 WeakPolarHBondContact CA-O 3.42Å; N208-S233 PolarHBondContact N-O 3.34Å |
| 209 | I | 95.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | trans | -61.4 | 130 | 176.9 | -75.2 | 164 | 0 | 0 | 0 | 109.9 | V204 Y206 H207 I214 I229 S233 A236 | V204-I209 HydrophobicContact CG1-CD1 4.35Å; V204-I209 WeakPolarHBondContact O-CD1 3.32Å; Y206-I209 HydrophobicContact CD1-CG1 4.15Å; Y206-I209 HydrophobicContact CG-CG1 4.38Å; Y206-I209 WeakPolarHBondContact O-CD1 3.49Å; Y206-I209 WeakPolarHBondContact O-CG1 3.39Å; H207-I209 VanDerWaalsContact C-N 3.31Å; H207-I209 PolarHBondContact O-N 3.49Å; I209-I214 HydrophobicContact CG1-CD1 4.46Å; I209-I214 HydrophobicContact CG2-CD1 3.76Å; I209-I214 HydrophobicContact CG2-CG1 3.47Å; I209-I214 VanDerWaalsContact CG2-CG1 3.47Å; I209-I229 HydrophobicContact CG2-CG1 4.4Å; I209-S233 PolarHBondContact N-O 3.18Å; I209-A236 HydrophobicContact CD1-CB 4.22Å; I209-A236 HydrophobicContact CG2-CB 3.86Å | ||
| 210 | T | 96.2 | Very high | 95.8 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | trans | -112.6 | 153.3 | 168.4 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | N208 F213 I214 | N208-T210 PolarHBondContact O-N 2.95Å; T210-F213 PolarHBondContact O-N 2.83Å; T210-F213 VanDerWaalsContact OG1-CB 3.32Å; T210-F213 WeakPolarHBondContact OG1-CB 3.47Å; T210-I214 PolarHBondContact O-N 3.48Å | ||
| 211 | E | 95.8 | Very high | 96 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57 | -45.3 | 176.2 | -167.7 | 168.9 | -167.8 | 0 | 0 | 113.6 | F213 I214 H215 I227 I229 | E211-F213 PolarHBondContact O-N 3.17Å; E211-I214 PolarHBondContact O-N 3.14Å; E211-H215 PolarHBondContact O-CD2 3.39Å; E211-H215 PolarHBondContact O-N 2.99Å; E211-I227 HydrophobicContact CG-CB 4.25Å; E211-I227 HydrophobicContact CG-CD1 3.78Å; E211-I227 HydrophobicContact CG-CG2 4.31Å; E211-I229 HydrophobicContact CB-CD1 4.21Å |
| 212 | P | 96.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 54 Ų | 54 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.3 | 22.1 | -34.9 | 0 | 0 | 0 | 113.1 | I214 H215 D216 | P212-I214 VanDerWaalsContact C-N 3.32Å; P212-I214 PolarHBondContact O-N 3.42Å; P212-H215 WeakPolarHBondContact O-CB 3.32Å; P212-H215 PolarHBondContact O-N 2.98Å; P212-H215 VanDerWaalsContact O-N 3.12Å; P212-D216 PolarHBondContact O-N 3.45Å |
| 213 | F | 95.8 | Very high | 96.1 | Very high | 42 Ų | 42 | 58.4 Ų | 58.4 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.7 | 170 | -101.5 | 0 | 0 | 0 | 112 | Y206 T210 E211 H215 D216 V217 V257 | Y206-F213 AromaticContact CD1-CE1 3.75Å; Y206-F213 HydrophobicContact CD1-CE1 3.75Å; Y206-F213 AromaticContact CD1-CZ 3.95Å; Y206-F213 HydrophobicContact CD1-CZ 3.95Å; Y206-F213 HydrophobicContact CE1-CE1 4.03Å; Y206-F213 HydrophobicContact CE1-CE2 4.42Å; Y206-F213 AromaticContact CE1-CZ 3.77Å; Y206-F213 HydrophobicContact CE1-CZ 3.77Å; Y206-F213 HydrophobicContact CG-CE1 4.21Å; Y206-F213 HydrophobicContact CG-CZ 4.42Å; T210-F213 PolarHBondContact O-N 2.83Å; T210-F213 VanDerWaalsContact OG1-CB 3.32Å; T210-F213 WeakPolarHBondContact OG1-CB 3.47Å; E211-F213 PolarHBondContact O-N 3.17Å; F213-H215 VanDerWaalsContact C-N 3.35Å; F213-D216 PolarHBondContact O-N 2.92Å; F213-V217 HydrophobicContact CD2-CG2 4.19Å; F213-V217 HydrophobicContact CE1-CG2 4.33Å; F213-V217 HydrophobicContact CE2-CG2 3.82Å; F213-V217 HydrophobicContact CZ-CG2 3.9Å; F213-V217 VanDerWaalsContact O-CG2 3.31Å; F213-V217 WeakPolarHBondContact O-CG2 3.34Å; F213-V217 PolarHBondContact O-N 3.27Å; F213-V257 HydrophobicContact CE2-CG1 3.54Å; F213-V257 HydrophobicContact CZ-CB 4.43Å; F213-V257 HydrophobicContact CZ-CG1 3.62Å |
| 214 | I | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.1 | -64.8 | -64.7 | 0 | 0 | 0 | 110.9 | V204 I209 T210 E211 P212 F218 I227 A236 V238 | V204-I214 HydrophobicContact CB-CD1 4.29Å; V204-I214 HydrophobicContact CG1-CD1 3.81Å; I209-I214 HydrophobicContact CG1-CD1 4.46Å; I209-I214 HydrophobicContact CG2-CD1 3.76Å; I209-I214 HydrophobicContact CG2-CG1 3.47Å; I209-I214 VanDerWaalsContact CG2-CG1 3.47Å; T210-I214 PolarHBondContact O-N 3.48Å; E211-I214 PolarHBondContact O-N 3.14Å; P212-I214 VanDerWaalsContact C-N 3.32Å; P212-I214 PolarHBondContact O-N 3.42Å; I214-F218 HydrophobicContact CD1-CE2 4.32Å; I214-F218 HydrophobicContact CG2-CD2 3.95Å; I214-F218 HydrophobicContact CG2-CE2 4.41Å; I214-F218 WeakPolarHBondContact O-CB 3.35Å; I214-F218 VanDerWaalsContact O-CD2 3.3Å; I214-F218 WeakPolarHBondContact O-CD2 3.49Å; I214-F218 PolarHBondContact O-N 2.92Å; I214-I227 HydrophobicContact CB-CD1 4.02Å; I214-I227 HydrophobicContact CG2-CD1 3.66Å; I214-I227 HydrophobicContact CG2-CG1 4.03Å; I214-I227 HydrophobicContact CG2-CG2 4.37Å; I214-A236 HydrophobicContact CD1-CB 4.49Å; I214-A236 HydrophobicContact CG1-CB 4.49Å; I214-V238 HydrophobicContact CG2-CB 4.49Å; I214-V238 HydrophobicContact CG2-CG1 4.18Å; I214-V238 HydrophobicContact CG2-CG2 3.45Å; I214-V238 VanDerWaalsContact CG2-CG2 3.45Å |
| 215 | H | 96.7 | Very high | 96 | Very high | 79 Ų | 79 | 61.3 Ų | 61.3 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 175.2 | -92 | -69.6 | 0 | 0 | 0 | 111.7 | E211 P212 F213 V217 F218 K219 I227 | E211-H215 PolarHBondContact O-CD2 3.39Å; E211-H215 PolarHBondContact O-N 2.99Å; P212-H215 WeakPolarHBondContact O-CB 3.32Å; P212-H215 PolarHBondContact O-N 2.98Å; P212-H215 VanDerWaalsContact O-N 3.12Å; F213-H215 VanDerWaalsContact C-N 3.35Å; H215-V217 PolarHBondContact O-N 3.18Å; H215-F218 PolarHBondContact O-N 3.07Å; H215-K219 WeakPolarHBondContact O-CB 3.31Å; H215-K219 PolarHBondContact O-N 3.4Å; H215-I227 WeakPolarHBondContact CD2-CD1 3.48Å; H215-I227 VanDerWaalsContact NE2-CD1 3.31Å; H215-I227 WeakPolarHBondContact NE2-CD1 3.19Å |
| 216 | D | 96 | Very high | 95.9 | Very high | 115 Ų | 115 | 65.1 Ų | 65.1 | 62% | 0.615 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | -177.2 | -68.5 | -24.7 | 0 | 0 | 0 | 112.4 | P212 F213 | P212-D216 PolarHBondContact O-N 3.45Å; F213-D216 PolarHBondContact O-N 2.92Å |
| 217 | V | 96.2 | Very high | 95.9 | Very high | 27 Ų | 27 | 64.8 Ų | 64.8 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.5 | -39.1 | -179.8 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | F213 H215 P220 L252 L262 | F213-V217 HydrophobicContact CD2-CG2 4.19Å; F213-V217 HydrophobicContact CE1-CG2 4.33Å; F213-V217 HydrophobicContact CE2-CG2 3.82Å; F213-V217 HydrophobicContact CZ-CG2 3.9Å; F213-V217 VanDerWaalsContact O-CG2 3.31Å; F213-V217 WeakPolarHBondContact O-CG2 3.34Å; F213-V217 PolarHBondContact O-N 3.27Å; H215-V217 PolarHBondContact O-N 3.18Å; V217-P220 WeakPolarHBondContact O-CD 3.33Å; V217-L252 HydrophobicContact CG1-CD1 3.86Å; V217-L262 HydrophobicContact CG1-CD2 3.95Å |
| 218 | F | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -92 | -16.1 | -175 | -75.7 | -97.9 | 0 | 0 | 0 | 114.3 | L202 V204 I214 H215 P220 Y221 G222 V224 V238 M240 A249 L252 V264 | L202-F218 HydrophobicContact CD1-CD1 4.41Å; L202-F218 HydrophobicContact CD1-CE1 3.78Å; V204-F218 HydrophobicContact CG1-CE2 4.24Å; V204-F218 HydrophobicContact CG1-CZ 4.38Å; V204-F218 HydrophobicContact CG2-CE1 4.35Å; V204-F218 HydrophobicContact CG2-CE2 3.82Å; V204-F218 HydrophobicContact CG2-CZ 3.43Å; V204-F218 VanDerWaalsContact CG2-CZ 3.43Å; I214-F218 HydrophobicContact CD1-CE2 4.32Å; I214-F218 HydrophobicContact CG2-CD2 3.95Å; I214-F218 HydrophobicContact CG2-CE2 4.41Å; I214-F218 WeakPolarHBondContact O-CB 3.35Å; I214-F218 VanDerWaalsContact O-CD2 3.3Å; I214-F218 WeakPolarHBondContact O-CD2 3.49Å; I214-F218 PolarHBondContact O-N 2.92Å; H215-F218 PolarHBondContact O-N 3.07Å; F218-P220 VanDerWaalsContact C-CD 3.48Å; F218-Y221 PolarHBondContact O-N 3.03Å; F218-G222 PolarHBondContact O-N 3.25Å; F218-V224 HydrophobicContact CB-CG2 3.84Å; F218-V238 HydrophobicContact CD1-CG1 4.48Å; F218-V238 HydrophobicContact CG-CG1 4.5Å; F218-M240 HydrophobicContact CD1-SD 4.23Å; F218-A249 HydrophobicContact CD1-CB 3.79Å; F218-A249 HydrophobicContact CE1-CB 3.83Å; F218-L252 HydrophobicContact CD1-CD1 4.17Å; F218-L252 HydrophobicContact CE1-CD1 3.97Å; F218-L252 HydrophobicContact CE2-CD1 4.37Å; F218-L252 HydrophobicContact CG-CD1 4.45Å; F218-L252 HydrophobicContact CZ-CD1 4.06Å; F218-V264 HydrophobicContact CE1-CG1 4.38Å; F218-V264 HydrophobicContact CZ-CG1 4.28Å; F218-V264 HydrophobicContact CZ-CG2 4.13Å |
| 219 | K | 96.3 | Very high | 96 | Very high | 159 Ų | 159 | 65.1 Ų | 65.1 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -48.7 | -45.2 | 177.1 | -178.4 | 176.3 | -176.4 | -177.9 | 0 | 114.7 | H215 Y221 G222 | H215-K219 WeakPolarHBondContact O-CB 3.31Å; H215-K219 PolarHBondContact O-N 3.4Å; K219-Y221 PolarHBondContact O-N 3.36Å; K219-G222 PolarHBondContact O-N 3.04Å |
| 220 | P | 96.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 65.6 Ų | 65.6 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -68.5 | -17.5 | 178.8 | 23.3 | -31.5 | 0 | 0 | 0 | 114.1 | V217 F218 | V217-P220 WeakPolarHBondContact O-CD 3.33Å; F218-P220 VanDerWaalsContact C-CD 3.48Å |
| 221 | Y | 96.8 | Very high | 95.5 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -98.3 | -9.5 | -177.9 | -58.2 | -86.2 | 0 | 0 | 0 | 113.4 | F218 K219 M245 S248 A249 L252 | F218-Y221 PolarHBondContact O-N 3.03Å; K219-Y221 PolarHBondContact O-N 3.36Å; Y221-M245 WeakPolarHBondContact O-CB 3.39Å; Y221-M245 WeakPolarHBondContact O-CG 3.39Å; Y221-S248 WeakPolarHBondContact CD1-O 3.33Å; Y221-A249 HydrophobicContact CG-CB 4.2Å; Y221-L252 HydrophobicContact CD2-CD1 3.66Å; Y221-L252 HydrophobicContact CD2-CD2 4.29Å; Y221-L252 HydrophobicContact CD2-CG 4.05Å; Y221-L252 HydrophobicContact CE1-CD2 4.41Å; Y221-L252 HydrophobicContact CE1-CG 4.28Å; Y221-L252 HydrophobicContact CE2-CD1 3.56Å; Y221-L252 HydrophobicContact CE2-CD2 3.35Å; Y221-L252 HydrophobicContact CE2-CG 3.55Å; Y221-L252 HydrophobicContact CG-CD1 4.41Å; Y221-L252 VanDerWaalsContact CZ-CD2 3.41Å; Y221-L252 WeakPolarHBondContact OH-CD2 3.05Å |
| 222 | G | 95.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 17% | 0.165 | 36% | 0.363 | C | S | . | . | trans | 152.1 | -174.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | F218 K219 | F218-G222 PolarHBondContact O-N 3.25Å; K219-G222 PolarHBondContact O-N 3.04Å | ||
| 223 | T | 96.6 | Very high | 94.9 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 56% | 0.564 | 35% | 0.354 | S | S | * | . | trans | -82.8 | 122.5 | 176.5 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | A241 M245 | T223-A241 PolarHBondContact O-N 2.7Å; T223-M245 PolarHBondContact N-SD 3.06Å | ||
| 224 | V | 96.5 | Very high | 94.8 | Very high | 20 Ų | 20 | 68 Ų | 68 | 12% | 0.121 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.7 | 173.7 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | F218 I227 V238 M240 | F218-V224 HydrophobicContact CB-CG2 3.84Å; V224-I227 HydrophobicContact CG1-CD1 3.93Å; V224-I227 HydrophobicContact CG1-CG1 3.5Å; V224-V238 HydrophobicContact CG1-CG1 3.69Å; V224-V238 HydrophobicContact CG2-CG1 4.14Å; V224-M240 HydrophobicContact CG2-CE 4.49Å; V224-M240 HydrophobicContact CG2-SD 4.11Å |
| 225 | V | 95.2 | Very high | 94.7 | Very high | 97 Ų | 97 | 69.9 Ų | 69.9 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -38.6 | -179.9 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | T239 A241 | V225-T239 HydrophobicContact CB-CG2 4.44Å; V225-T239 WeakPolarHBondContact CB-O 3.31Å; V225-T239 PolarHBondContact N-O 3.4Å; V225-A241 VanDerWaalsContact CG2-CA 3.48Å; V225-A241 HydrophobicContact CG2-CB 3.85Å |
| 226 | R | 94.2 | Very high | 94.7 | Very high | 92 Ų | 92 | 66.1 Ų | 66.1 | 35% | 0.347 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 137.7 | -174.5 | -169 | -177.1 | -169.9 | 167.3 | 15.2 | 111.3 | T239 | R226-T239 PolarHBondContact N-O 3.44Å; R226-T239 PolarHBondContact O-N 2.94Å |
| 227 | I | 96.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 11% | 0.108 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137.2 | 170 | -58.4 | 171.7 | 0 | 0 | 0 | 108.6 | E211 I214 H215 V224 I229 | E211-I227 HydrophobicContact CG-CB 4.25Å; E211-I227 HydrophobicContact CG-CD1 3.78Å; E211-I227 HydrophobicContact CG-CG2 4.31Å; I214-I227 HydrophobicContact CB-CD1 4.02Å; I214-I227 HydrophobicContact CG2-CD1 3.66Å; I214-I227 HydrophobicContact CG2-CG1 4.03Å; I214-I227 HydrophobicContact CG2-CG2 4.37Å; H215-I227 WeakPolarHBondContact CD2-CD1 3.48Å; H215-I227 VanDerWaalsContact NE2-CD1 3.31Å; H215-I227 WeakPolarHBondContact NE2-CD1 3.19Å; V224-I227 HydrophobicContact CG1-CD1 3.93Å; V224-I227 HydrophobicContact CG1-CG1 3.5Å; I227-I229 HydrophobicContact CG2-CG1 4.19Å |
| 228 | R | 94.9 | Very high | 94.7 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 108.2 | 171.5 | -79.5 | -172.7 | 159.5 | -163 | -6.5 | 109.3 | A236 Y237 | R228-A236 CarbonylContact O-C 3.32Å; R228-A236 VanDerWaalsContact O-CA 3.27Å; R228-A236 WeakPolarHBondContact O-CA 3.45Å; R228-Y237 PolarHBondContact N-O 3.47Å; R228-Y237 PolarHBondContact O-N 3.11Å |
| 229 | I | 96 | Very high | 94.7 | Very high | 75 Ų | 75 | 63.7 Ų | 63.7 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130 | 176.4 | -55.6 | 174.3 | 0 | 0 | 0 | 108.3 | I209 E211 I227 A236 | I209-I229 HydrophobicContact CG2-CG1 4.4Å; E211-I229 HydrophobicContact CB-CD1 4.21Å; I227-I229 HydrophobicContact CG2-CG1 4.19Å; I229-A236 HydrophobicContact CG1-CB 4.4Å |
| 230 | G | 91.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | trans | -76.6 | 160 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P232 S233 H235 | G230-P232 CarbonylContact C-O 3.54Å; G230-P232 VanDerWaalsContact C-O 3.32Å; G230-P232 CarbonylContact O-C 3.11Å; G230-S233 WeakPolarHBondContact O-CA 3.31Å; G230-S233 PolarHBondContact O-N 2.72Å; G230-H235 PolarHBondContact N-O 3.15Å | ||
| 231 | N | 89.1 | Confident | 94.6 | Very high | 159 Ų | 159 | 54 Ų | 54 | 85% | 0.85 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -110.4 | 121.6 | 170 | -167.9 | 6.3 | 0 | 0 | 0 | 108.2 | ||
| 232 | P | 88.1 | Confident | 94.5 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -67.1 | 159.2 | -1.6 | 31 | -36.1 | 0 | 0 | 0 | 112.4 | G230 N234 | G230-P232 CarbonylContact C-O 3.54Å; G230-P232 VanDerWaalsContact C-O 3.32Å; G230-P232 CarbonylContact O-C 3.11Å; P232-N234 PolarHBondContact O-N 3.16Å |
| 233 | S | 89.6 | Confident | 94.4 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 31 | -177.7 | 51.9 | 0 | 0 | 0 | 0 | 115 | N208 I209 G230 | N208-S233 WeakPolarHBondContact CA-O 3.42Å; N208-S233 PolarHBondContact N-O 3.34Å; I209-S233 PolarHBondContact N-O 3.18Å; G230-S233 WeakPolarHBondContact O-CA 3.31Å; G230-S233 PolarHBondContact O-N 2.72Å |
| 234 | N | 94 | Very high | 94.3 | Very high | 67 Ų | 67 | 57.8 Ų | 57.8 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.1 | 178.3 | -65.3 | -37.5 | 0 | 0 | 0 | 113 | Y206 H207 P232 | Y206-N234 PolarHBondContact N-O 3.17Å; Y206-N234 VanDerWaalsContact N-O 3.12Å; Y206-N234 CarbonylContact O-C 3.04Å; Y206-N234 WeakPolarHBondContact O-CA 3.48Å; H207-N234 PolarHBondContact ND1-OD1 2.91Å; P232-N234 PolarHBondContact O-N 3.16Å |
| 235 | H | 95.5 | Very high | 94.3 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 19% | 0.185 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 155.8 | 176 | 66 | -73.2 | 0 | 0 | 0 | 111.8 | Y203 V204 G230 Y237 | Y203-H235 HydrophobicContact CD2-CB 4.4Å; Y203-H235 HydrophobicContact CE2-CB 3.51Å; Y203-H235 AromaticContact CE2-CD2 3.81Å; Y203-H235 AromaticContact CE2-CG 3.88Å; V204-H235 CarbonylContact O-C 3.45Å; V204-H235 WeakPolarHBondContact O-CA 3.15Å; G230-H235 PolarHBondContact N-O 3.15Å; H235-Y237 AromaticContact CD2-CE2 3.72Å; H235-Y237 AromaticContact NE2-CE2 3.98Å |
| 236 | A | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 156.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V204 I209 I214 R228 I229 | V204-A236 PolarHBondContact N-O 2.89Å; V204-A236 PolarHBondContact O-N 3.42Å; I209-A236 HydrophobicContact CD1-CB 4.22Å; I209-A236 HydrophobicContact CG2-CB 3.86Å; I214-A236 HydrophobicContact CD1-CB 4.49Å; I214-A236 HydrophobicContact CG1-CB 4.49Å; R228-A236 CarbonylContact O-C 3.32Å; R228-A236 VanDerWaalsContact O-CA 3.27Å; R228-A236 WeakPolarHBondContact O-CA 3.45Å; I229-A236 HydrophobicContact CG1-CB 4.4Å |
| 237 | Y | 96 | Very high | 94.4 | Very high | 64 Ų | 64 | 55.3 Ų | 55.3 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.8 | 170.1 | -62.9 | -82.2 | 0 | 0 | 0 | 109.1 | L202 Y203 R228 H235 A267 F271 | L202-Y237 CarbonylContact O-C 3.52Å; L202-Y237 VanDerWaalsContact O-CA 3.27Å; L202-Y237 WeakPolarHBondContact O-CA 3.36Å; Y203-Y237 HydrophobicContact CD2-CD1 4.31Å; Y203-Y237 AromaticContact CD2-CE1 3.72Å; Y203-Y237 HydrophobicContact CD2-CE1 3.72Å; Y203-Y237 HydrophobicContact CG-CE1 4.48Å; R228-Y237 PolarHBondContact N-O 3.47Å; R228-Y237 PolarHBondContact O-N 3.11Å; H235-Y237 AromaticContact CD2-CE2 3.72Å; H235-Y237 AromaticContact NE2-CE2 3.98Å; Y237-A267 HydrophobicContact CD1-CB 3.95Å; Y237-A267 HydrophobicContact CE1-CB 4.18Å; Y237-F271 AromaticContact CD1-CE2 3.54Å; Y237-F271 HydrophobicContact CD1-CE2 3.54Å; Y237-F271 HydrophobicContact CD1-CZ 4.14Å; Y237-F271 AromaticContact CD2-CE2 3.72Å; Y237-F271 HydrophobicContact CD2-CE2 3.72Å; Y237-F271 AromaticContact CD2-CZ 3.67Å; Y237-F271 HydrophobicContact CD2-CZ 3.67Å; Y237-F271 AromaticContact CE1-CE2 3.95Å; Y237-F271 HydrophobicContact CE1-CE2 3.95Å; Y237-F271 HydrophobicContact CE1-CZ 4.2Å; Y237-F271 HydrophobicContact CE2-CE2 4.14Å; Y237-F271 AromaticContact CE2-CZ 3.76Å; Y237-F271 HydrophobicContact CE2-CZ 3.76Å; Y237-F271 HydrophobicContact CG-CD2 4.46Å; Y237-F271 AromaticContact CG-CE2 3.37Å; Y237-F271 HydrophobicContact CG-CE2 3.37Å; Y237-F271 AromaticContact CG-CZ 3.84Å; Y237-F271 HydrophobicContact CG-CZ 3.84Å |
| 238 | V | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 114.2 | -173.4 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | T201 L202 V204 I214 F218 V224 M240 | T201-V238 CarbonylContact C-O 3.49Å; T201-V238 VanDerWaalsContact CA-O 3.29Å; T201-V238 WeakPolarHBondContact CA-O 3.32Å; L202-V238 PolarHBondContact N-O 2.83Å; L202-V238 PolarHBondContact O-N 3.48Å; V204-V238 HydrophobicContact CG2-CB 4.43Å; V204-V238 HydrophobicContact CG2-CG2 3.67Å; I214-V238 HydrophobicContact CG2-CB 4.49Å; I214-V238 HydrophobicContact CG2-CG1 4.18Å; I214-V238 HydrophobicContact CG2-CG2 3.45Å; I214-V238 VanDerWaalsContact CG2-CG2 3.45Å; F218-V238 HydrophobicContact CD1-CG1 4.48Å; F218-V238 HydrophobicContact CG-CG1 4.5Å; V224-V238 HydrophobicContact CG1-CG1 3.69Å; V224-V238 HydrophobicContact CG2-CG1 4.14Å; V238-M240 HydrophobicContact CG1-SD 3.97Å |
| 239 | T | 95.5 | Very high | 94.5 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 17% | 0.166 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.8 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | T201 V225 R226 | T201-T239 PolarHBondContact OG1-OG1 3.11Å; V225-T239 HydrophobicContact CB-CG2 4.44Å; V225-T239 WeakPolarHBondContact CB-O 3.31Å; V225-T239 PolarHBondContact N-O 3.4Å; R226-T239 PolarHBondContact N-O 3.44Å; R226-T239 PolarHBondContact O-N 2.94Å |
| 240 | M | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 157 | 174.8 | -55.7 | -56.8 | -72.4 | 0 | 0 | 111.1 | S200 L202 F218 V224 V238 M245 A246 | S200-M240 WeakPolarHBondContact CB-O 3.34Å; S200-M240 PolarHBondContact O-N 3.45Å; L202-M240 HydrophobicContact CD1-CG 4.2Å; F218-M240 HydrophobicContact CD1-SD 4.23Å; V224-M240 HydrophobicContact CG2-CE 4.49Å; V224-M240 HydrophobicContact CG2-SD 4.11Å; V238-M240 HydrophobicContact CG1-SD 3.97Å; M240-M245 HydrophobicContact CB-CB 4.25Å; M240-M245 HydrophobicContact CE-CB 4.08Å; M240-A246 HydrophobicContact CB-CB 4.15Å; M240-A246 HydrophobicContact CG-CB 3.98Å |
| 241 | A | 94.9 | Very high | 94.8 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -65.9 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T223 V225 M245 | T223-A241 PolarHBondContact O-N 2.7Å; V225-A241 VanDerWaalsContact CG2-CA 3.48Å; V225-A241 HydrophobicContact CG2-CB 3.85Å; A241-M245 HydrophobicContact CB-SD 4.07Å |
| 242 | T | 94.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 37% | 0.368 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -128.5 | 157.9 | 179.7 | 70 | 0 | 0 | 0 | 0 | 111.5 | Q244 M245 A246 | T242-Q244 VanDerWaalsContact C-N 3.35Å; T242-M245 HydrophobicContact CG2-SD 4.4Å; T242-M245 PolarHBondContact O-N 2.98Å; T242-M245 WeakPolarHBondContact OG1-CB 3.48Å; T242-M245 WeakPolarHBondContact OG1-CG 3.41Å; T242-M245 PolarHBondContact OG1-N 3.02Å; T242-A246 PolarHBondContact O-N 3.31Å |
| 243 | N | 93.5 | Very high | 95.5 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.1 | -34.3 | 176 | -177.7 | -95.2 | 0 | 0 | 0 | 112.2 | H199 M245 A246 Q247 | H199-N243 PolarHBondContact O-ND2 2.83Å; H199-N243 VanDerWaalsContact O-ND2 3.16Å; N243-M245 VanDerWaalsContact C-N 3.34Å; N243-M245 PolarHBondContact O-N 3.5Å; N243-A246 WeakPolarHBondContact O-CB 3.45Å; N243-A246 PolarHBondContact O-N 3.35Å; N243-A246 VanDerWaalsContact O-N 3.14Å; N243-Q247 WeakPolarHBondContact O-CG 3.44Å; N243-Q247 PolarHBondContact O-N 3.47Å; N243-Q247 PolarHBondContact OD1-NE2 2.95Å |
| 244 | Q | 95.4 | Very high | 95.8 | Very high | 147 Ų | 147 | 53.5 Ų | 53.5 | 69% | 0.687 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 175 | -68.7 | -179.3 | -13.9 | 0 | 0 | 112.5 | T242 Q247 S248 | T242-Q244 VanDerWaalsContact C-N 3.35Å; Q244-Q247 PolarHBondContact O-N 3.05Å; Q244-S248 PolarHBondContact O-N 3.21Å; Q244-S248 PolarHBondContact O-OG 3.16Å |
| 245 | M | 96.3 | Very high | 95.9 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 172.4 | -72.7 | 171.7 | -178.1 | 0 | 0 | 111.3 | Y221 T223 M240 A241 T242 N243 Q247 S248 A249 | Y221-M245 WeakPolarHBondContact O-CB 3.39Å; Y221-M245 WeakPolarHBondContact O-CG 3.39Å; T223-M245 PolarHBondContact N-SD 3.06Å; M240-M245 HydrophobicContact CB-CB 4.25Å; M240-M245 HydrophobicContact CE-CB 4.08Å; A241-M245 HydrophobicContact CB-SD 4.07Å; T242-M245 HydrophobicContact CG2-SD 4.4Å; T242-M245 PolarHBondContact O-N 2.98Å; T242-M245 WeakPolarHBondContact OG1-CB 3.48Å; T242-M245 WeakPolarHBondContact OG1-CG 3.41Å; T242-M245 PolarHBondContact OG1-N 3.02Å; N243-M245 VanDerWaalsContact C-N 3.34Å; N243-M245 PolarHBondContact O-N 3.5Å; M245-Q247 PolarHBondContact O-N 2.87Å; M245-S248 PolarHBondContact O-N 3.48Å; M245-A249 WeakPolarHBondContact O-CB 3.37Å; M245-A249 PolarHBondContact O-N 3.38Å |
| 246 | A | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L202 M240 T242 N243 A249 L250 Y266 | L202-A246 HydrophobicContact CD1-CB 4.46Å; L202-A246 HydrophobicContact CD2-CB 4.26Å; L202-A246 HydrophobicContact CG-CB 4.37Å; M240-A246 HydrophobicContact CB-CB 4.15Å; M240-A246 HydrophobicContact CG-CB 3.98Å; T242-A246 PolarHBondContact O-N 3.31Å; N243-A246 WeakPolarHBondContact O-CB 3.45Å; N243-A246 PolarHBondContact O-N 3.35Å; N243-A246 VanDerWaalsContact O-N 3.14Å; A246-A249 PolarHBondContact O-N 3.01Å; A246-L250 PolarHBondContact O-N 3.28Å; A246-L250 VanDerWaalsContact O-N 3.07Å; A246-Y266 HydrophobicContact CB-CE1 4.44Å |
| 247 | Q | 95.8 | Very high | 95.7 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 173.7 | -75.1 | 177 | -14.8 | 0 | 0 | 112 | N243 Q244 M245 L250 Y266 | N243-Q247 WeakPolarHBondContact O-CG 3.44Å; N243-Q247 PolarHBondContact O-N 3.47Å; N243-Q247 PolarHBondContact OD1-NE2 2.95Å; Q244-Q247 PolarHBondContact O-N 3.05Å; M245-Q247 PolarHBondContact O-N 2.87Å; Q247-L250 VanDerWaalsContact O-CB 3.31Å; Q247-L250 WeakPolarHBondContact O-CB 3.47Å; Q247-L250 PolarHBondContact O-N 3.06Å; Q247-Y266 WeakPolarHBondContact CG-OH 3.28Å |
| 248 | S | 96.8 | Very high | 95.4 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.2 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | Y221 Q244 M245 L250 K251 | Y221-S248 WeakPolarHBondContact CD1-O 3.33Å; Q244-S248 PolarHBondContact O-N 3.21Å; Q244-S248 PolarHBondContact O-OG 3.16Å; M245-S248 PolarHBondContact O-N 3.48Å; S248-L250 VanDerWaalsContact C-N 3.26Å; S248-L250 PolarHBondContact O-N 3.3Å; S248-K251 WeakPolarHBondContact O-CB 3.43Å; S248-K251 WeakPolarHBondContact O-CG 3.43Å; S248-K251 PolarHBondContact O-N 3.46Å |
| 249 | A | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69 | -20.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L202 F218 Y221 M245 A246 K251 L252 | L202-A249 HydrophobicContact CD1-CB 3.68Å; F218-A249 HydrophobicContact CD1-CB 3.79Å; F218-A249 HydrophobicContact CE1-CB 3.83Å; Y221-A249 HydrophobicContact CG-CB 4.2Å; M245-A249 WeakPolarHBondContact O-CB 3.37Å; M245-A249 PolarHBondContact O-N 3.38Å; A246-A249 PolarHBondContact O-N 3.01Å; A249-K251 PolarHBondContact O-N 2.88Å; A249-L252 WeakPolarHBondContact O-CB 3.41Å; A249-L252 WeakPolarHBondContact O-CG 3.31Å; A249-L252 PolarHBondContact O-N 3.32Å; A249-L252 VanDerWaalsContact O-N 3.14Å |
| 250 | L | 96.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 72.2 Ų | 72.2 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -64.4 | -22.7 | 174.1 | -159.5 | 78.3 | 0 | 0 | 0 | 112.1 | L202 A246 Q247 S248 L252 D253 V264 Y266 | L202-L250 HydrophobicContact CD2-CD1 4.31Å; A246-L250 PolarHBondContact O-N 3.28Å; A246-L250 VanDerWaalsContact O-N 3.07Å; Q247-L250 VanDerWaalsContact O-CB 3.31Å; Q247-L250 WeakPolarHBondContact O-CB 3.47Å; Q247-L250 PolarHBondContact O-N 3.06Å; S248-L250 VanDerWaalsContact C-N 3.26Å; S248-L250 PolarHBondContact O-N 3.3Å; L250-L252 PolarHBondContact O-N 3.2Å; L250-L252 VanDerWaalsContact O-N 3.16Å; L250-D253 WeakPolarHBondContact O-CB 3.42Å; L250-D253 PolarHBondContact O-N 3.45Å; L250-V264 HydrophobicContact CD1-CG1 4.49Å; L250-Y266 HydrophobicContact CD1-CD2 4.36Å; L250-Y266 HydrophobicContact CD1-CE2 4.25Å; L250-Y266 HydrophobicContact CD2-CE2 3.97Å |
| 251 | K | 95.9 | Very high | 95.2 | Very high | 169 Ų | 169 | 77 Ų | 77 | 74% | 0.735 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -64.8 | -14.2 | 174.6 | -60.2 | 178.2 | -179.3 | 179.4 | 0 | 113.5 | S248 A249 | S248-K251 WeakPolarHBondContact O-CB 3.43Å; S248-K251 WeakPolarHBondContact O-CG 3.43Å; S248-K251 PolarHBondContact O-N 3.46Å; A249-K251 PolarHBondContact O-N 2.88Å |
| 252 | L | 95.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -75 | -11.3 | 173.1 | -69.8 | 175.7 | 0 | 0 | 0 | 113.3 | V217 F218 Y221 A249 L250 H254 Q255 L262 V264 | V217-L252 HydrophobicContact CG1-CD1 3.86Å; F218-L252 HydrophobicContact CD1-CD1 4.17Å; F218-L252 HydrophobicContact CE1-CD1 3.97Å; F218-L252 HydrophobicContact CE2-CD1 4.37Å; F218-L252 HydrophobicContact CG-CD1 4.45Å; F218-L252 HydrophobicContact CZ-CD1 4.06Å; Y221-L252 HydrophobicContact CD2-CD1 3.66Å; Y221-L252 HydrophobicContact CD2-CD2 4.29Å; Y221-L252 HydrophobicContact CD2-CG 4.05Å; Y221-L252 HydrophobicContact CE1-CD2 4.41Å; Y221-L252 HydrophobicContact CE1-CG 4.28Å; Y221-L252 HydrophobicContact CE2-CD1 3.56Å; Y221-L252 HydrophobicContact CE2-CD2 3.35Å; Y221-L252 HydrophobicContact CE2-CG 3.55Å; Y221-L252 HydrophobicContact CG-CD1 4.41Å; Y221-L252 VanDerWaalsContact CZ-CD2 3.41Å; Y221-L252 WeakPolarHBondContact OH-CD2 3.05Å; A249-L252 WeakPolarHBondContact O-CB 3.41Å; A249-L252 WeakPolarHBondContact O-CG 3.31Å; A249-L252 PolarHBondContact O-N 3.32Å; A249-L252 VanDerWaalsContact O-N 3.14Å; L250-L252 PolarHBondContact O-N 3.2Å; L250-L252 VanDerWaalsContact O-N 3.16Å; L252-H254 PolarHBondContact O-N 2.99Å; L252-Q255 VanDerWaalsContact O-CB 3.31Å; L252-Q255 WeakPolarHBondContact O-CB 3.38Å; L252-Q255 PolarHBondContact O-N 3.49Å; L252-L262 HydrophobicContact CB-CD2 4.25Å; L252-V264 HydrophobicContact CB-CG2 4.01Å |
| 253 | D | 97.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 78.3 Ų | 78.3 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 133.2 | 178.6 | -163.8 | 29.3 | 0 | 0 | 0 | 109.9 | L250 Q255 R263 V264 | L250-D253 WeakPolarHBondContact O-CB 3.42Å; L250-D253 PolarHBondContact O-N 3.45Å; D253-Q255 PolarHBondContact O-N 2.91Å; D253-R263 WeakPolarHBondContact OD1-CA 3.41Å; D253-V264 HydrophobicContact CB-CB 4.17Å; D253-V264 WeakPolarHBondContact CB-O 3.07Å; D253-V264 PolarHBondContact OD1-N 3.04Å |
| 254 | H | 96.2 | Very high | 95.5 | Very high | 125 Ų | 125 | 76 Ų | 76 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 17.1 | -173.5 | -55.6 | -78.6 | 0 | 0 | 0 | 115.8 | L252 L261 L262 | L252-H254 PolarHBondContact O-N 2.99Å; H254-L261 WeakPolarHBondContact O-CD2 3.34Å; H254-L262 WeakPolarHBondContact CA-O 3.32Å; H254-L262 PolarHBondContact N-O 3.24Å |
| 255 | Q | 95.7 | Very high | 95.6 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | trans | -72.5 | 137.2 | 170.8 | -170.9 | 171.3 | -0.1 | 0 | 0 | 111.3 | L252 D253 V257 L262 | L252-Q255 VanDerWaalsContact O-CB 3.31Å; L252-Q255 WeakPolarHBondContact O-CB 3.38Å; L252-Q255 PolarHBondContact O-N 3.49Å; D253-Q255 PolarHBondContact O-N 2.91Å; Q255-V257 HydrophobicContact CG-CG2 4.45Å; Q255-V257 PolarHBondContact O-N 3.32Å; Q255-L262 PolarHBondContact O-N 2.91Å | ||
| 256 | M | 94.5 | Very high | 95.6 | Very high | 108 Ų | 108 | 71.7 Ų | 71.7 | 53% | 0.532 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 111.4 | 170.6 | -75.4 | -62.7 | -37.4 | 0 | 0 | 110.7 | R260 L261 | M256-R260 VanDerWaalsContact CE-N 3.34Å; M256-L261 HydrophobicContact CG-CD2 4.03Å; M256-L261 HydrophobicContact SD-CD2 3.48Å; M256-L261 WeakPolarHBondContact SD-CD2 3.42Å; M256-L261 HydrophobicContact SD-CG 3.93Å |
| 257 | V | 93 | Very high | 95.5 | Very high | 23 Ų | 23 | 71.9 Ų | 71.9 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.8 | 172.7 | -173 | 0 | 0 | 0 | 0 | 108.1 | Y206 F213 Q255 N259 R260 L262 | Y206-V257 HydrophobicContact CE2-CB 4.34Å; Y206-V257 PolarHBondContact OH-O 3.46Å; F213-V257 HydrophobicContact CE2-CG1 3.54Å; F213-V257 HydrophobicContact CZ-CB 4.43Å; F213-V257 HydrophobicContact CZ-CG1 3.62Å; Q255-V257 HydrophobicContact CG-CG2 4.45Å; Q255-V257 PolarHBondContact O-N 3.32Å; V257-N259 VanDerWaalsContact C-N 3.29Å; V257-N259 PolarHBondContact O-N 2.99Å; V257-R260 PolarHBondContact N-O 2.85Å; V257-R260 PolarHBondContact O-N 3.44Å; V257-L262 HydrophobicContact CG2-CB 4.33Å |
| 258 | S | 90.7 | Very high | 95.1 | Very high | 91 Ų | 91 | 78.7 Ų | 78.7 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 48.5 | -176.4 | -39.5 | 0 | 0 | 0 | 0 | 114.4 | Y206 R260 | Y206-S258 VanDerWaalsContact OH-CB 3.32Å; Y206-S258 WeakPolarHBondContact OH-CB 3.42Å; S258-R260 PolarHBondContact O-N 2.87Å |
| 259 | N | 93.1 | Very high | 94 | Very high | 153 Ų | 153 | 86.2 Ų | 86.2 | 82% | 0.818 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 22 | -179.4 | -56.5 | -22.1 | 0 | 0 | 0 | 115 | V257 | V257-N259 VanDerWaalsContact C-N 3.29Å; V257-N259 PolarHBondContact O-N 2.99Å |
| 260 | R | 94.5 | Very high | 92.3 | Very high | 128 Ų | 128 | 88.1 Ų | 88.1 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.8 | 172 | -63.9 | -177 | -174 | -152.6 | 4.7 | 110.7 | Y206 H207 M256 V257 S258 | Y206-R260 HydrophobicContact CD2-CB 4.46Å; Y206-R260 HydrophobicContact CE2-CB 3.65Å; H207-R260 PolarHBondContact CD2-NH1 3.44Å; M256-R260 VanDerWaalsContact CE-N 3.34Å; V257-R260 PolarHBondContact N-O 2.85Å; V257-R260 PolarHBondContact O-N 3.44Å; S258-R260 PolarHBondContact O-N 2.87Å |
| 261 | L | 95.4 | Very high | 90.6 | Very high | 102 Ų | 102 | 88.8 Ų | 88.8 | 53% | 0.534 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 124.7 | 176.1 | -65.8 | 168.1 | 0 | 0 | 0 | 109.5 | H254 M256 | H254-L261 WeakPolarHBondContact O-CD2 3.34Å; M256-L261 HydrophobicContact CG-CD2 4.03Å; M256-L261 HydrophobicContact SD-CD2 3.48Å; M256-L261 WeakPolarHBondContact SD-CD2 3.42Å; M256-L261 HydrophobicContact SD-CG 3.93Å |
| 262 | L | 96.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -74 | 132.7 | 169.2 | -171.8 | 63.6 | 0 | 0 | 0 | 109 | V204 Y206 V217 L252 H254 Q255 V257 V264 | V204-L262 HydrophobicContact CG1-CD1 3.52Å; V204-L262 HydrophobicContact CG1-CG 4.3Å; Y206-L262 HydrophobicContact CD2-CD1 3.9Å; Y206-L262 HydrophobicContact CG-CD1 4.05Å; V217-L262 HydrophobicContact CG1-CD2 3.95Å; L252-L262 HydrophobicContact CB-CD2 4.25Å; H254-L262 WeakPolarHBondContact CA-O 3.32Å; H254-L262 PolarHBondContact N-O 3.24Å; Q255-L262 PolarHBondContact O-N 2.91Å; V257-L262 HydrophobicContact CG2-CB 4.33Å; L262-V264 HydrophobicContact CD2-CG2 3.77Å; L262-V264 HydrophobicContact CG-CG2 3.76Å | ||
| 263 | R | 97.1 | Very high | 86.9 | Confident | 141 Ų | 141 | 92 Ų | 92 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.6 | 172.8 | -179.6 | 176 | 160.4 | -174.2 | -3.2 | 109.7 | V204 G205 D253 | V204-R263 CarbonylContact C-O 3.5Å; V204-R263 VanDerWaalsContact CA-O 3.31Å; V204-R263 WeakPolarHBondContact CA-O 3.34Å; G205-R263 PolarHBondContact N-O 3.36Å; G205-R263 PolarHBondContact O-N 2.93Å; D253-R263 WeakPolarHBondContact OD1-CA 3.41Å |
| 264 | V | 97 | Very high | 85.2 | Confident | 0 Ų | 0 | 98.1 Ų | 98.1 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.9 | 180 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | L202 Y203 F218 L250 L252 D253 L262 | L202-V264 HydrophobicContact CB-CG1 4.31Å; L202-V264 HydrophobicContact CD1-CG1 4.13Å; Y203-V264 WeakPolarHBondContact O-CA 3.34Å; F218-V264 HydrophobicContact CE1-CG1 4.38Å; F218-V264 HydrophobicContact CZ-CG1 4.28Å; F218-V264 HydrophobicContact CZ-CG2 4.13Å; L250-V264 HydrophobicContact CD1-CG1 4.49Å; L252-V264 HydrophobicContact CB-CG2 4.01Å; D253-V264 HydrophobicContact CB-CB 4.17Å; D253-V264 WeakPolarHBondContact CB-O 3.07Å; D253-V264 PolarHBondContact OD1-N 3.04Å; L262-V264 HydrophobicContact CD2-CG2 3.77Å; L262-V264 HydrophobicContact CG-CG2 3.76Å |
| 265 | S | 96.5 | Very high | 83.6 | Confident | 36 Ų | 36 | 97.5 Ų | 97.5 | 25% | 0.252 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 164.9 | 177.8 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | L202 Y203 A267 | L202-S265 CarbonylContact C-O 3.51Å; L202-S265 WeakPolarHBondContact CA-O 3.21Å; Y203-S265 PolarHBondContact N-O 3.03Å; Y203-S265 PolarHBondContact O-N 3.3Å; S265-A267 PolarHBondContact O-N 3.25Å |
| 266 | Y | 96 | Very high | 81.5 | Confident | 77 Ų | 77 | 102 Ų | 102 | 30% | 0.302 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 137.8 | 172.3 | -73 | -69.8 | 0 | 0 | 0 | 111.6 | H199 L202 A246 Q247 L250 R268 | H199-Y266 HydrophobicContact CB-CD1 3.62Å; H199-Y266 HydrophobicContact CB-CE1 4.12Å; H199-Y266 HydrophobicContact CB-CG 4.31Å; H199-Y266 VanDerWaalsContact O-CE1 3.24Å; H199-Y266 WeakPolarHBondContact O-CE1 3.37Å; L202-Y266 HydrophobicContact CD2-CD1 3.89Å; L202-Y266 HydrophobicContact CD2-CE1 3.99Å; A246-Y266 HydrophobicContact CB-CE1 4.44Å; Q247-Y266 WeakPolarHBondContact CG-OH 3.28Å; L250-Y266 HydrophobicContact CD1-CD2 4.36Å; L250-Y266 HydrophobicContact CD1-CE2 4.25Å; L250-Y266 HydrophobicContact CD2-CE2 3.97Å; Y266-R268 PolarHBondContact O-N 3.41Å |
| 267 | A | 93.7 | Very high | 79.7 | Confident | 3 Ų | 3 | 101.4 Ų | 101.4 | 3% | 0.025 | 49% | 0.487 | C | S | . | . | trans | -65 | 119.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T201 Y237 S265 R269 | T201-A267 HydrophobicContact CG2-CB 3.93Å; T201-A267 VanDerWaalsContact O-CB 3.29Å; T201-A267 WeakPolarHBondContact O-CB 3.46Å; T201-A267 PolarHBondContact O-N 3.3Å; Y237-A267 HydrophobicContact CD1-CB 3.95Å; Y237-A267 HydrophobicContact CE1-CB 4.18Å; S265-A267 PolarHBondContact O-N 3.25Å; A267-R269 PolarHBondContact O-N 3.35Å; A267-R269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | R | 87.1 | Confident | 78.2 | Confident | 244 Ų | 244 | 105.3 Ų | 105.3 | 92% | 0.921 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -56.8 | -30 | -179.5 | -70 | -174.6 | 173.9 | -171.7 | -3 | 113.6 | Y266 | Y266-R268 PolarHBondContact O-N 3.41Š|
| 269 | R | 73.9 | Confident | 76.4 | Confident | 208 Ų | 208 | 106.1 Ų | 106.1 | 79% | 0.785 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -117.2 | 111 | 176.5 | -64.9 | -176.1 | -176.2 | 173.7 | 1.8 | 107.4 | A267 F271 | A267-R269 PolarHBondContact O-N 3.35Å; A267-R269 VanDerWaalsContact O-N 3.12Å; R269-F271 PolarHBondContact O-N 2.98Å; R269-F271 VanDerWaalsContact O-N 3.14Å |
| 270 | P | 62.1 | Low | 74.4 | Confident | 40 Ų | 40 | 108.1 Ų | 108.1 | 26% | 0.26 | 52% | 0.516 | S | S | . | . | trans | -59.3 | 122.8 | 166.7 | 25.2 | -30.7 | 0 | 0 | 0 | 106.7 | P197 H272 | P197-P270 HydrophobicContact CG-CB 4.4Å; P197-P270 HydrophobicContact CG-CG 4.37Å; P270-H272 VanDerWaalsContact C-N 3.3Å; P270-H272 PolarHBondContact O-N 3.32Å | ||
| 271 | F | 60.1 | Low | 72.5 | Confident | 73 Ų | 73 | 113.3 Ų | 113.3 | 32% | 0.32 | 54% | 0.537 | S | S | . | . | trans | -67.8 | 101.9 | 167.5 | -66.1 | -81.6 | 0 | 0 | 0 | 105.9 | T201 Y237 R269 V273 | T201-F271 HydrophobicContact CG2-CD2 4.29Å; Y237-F271 AromaticContact CD1-CE2 3.54Å; Y237-F271 HydrophobicContact CD1-CE2 3.54Å; Y237-F271 HydrophobicContact CD1-CZ 4.14Å; Y237-F271 AromaticContact CD2-CE2 3.72Å; Y237-F271 HydrophobicContact CD2-CE2 3.72Å; Y237-F271 AromaticContact CD2-CZ 3.67Å; Y237-F271 HydrophobicContact CD2-CZ 3.67Å; Y237-F271 AromaticContact CE1-CE2 3.95Å; Y237-F271 HydrophobicContact CE1-CE2 3.95Å; Y237-F271 HydrophobicContact CE1-CZ 4.2Å; Y237-F271 HydrophobicContact CE2-CE2 4.14Å; Y237-F271 AromaticContact CE2-CZ 3.76Å; Y237-F271 HydrophobicContact CE2-CZ 3.76Å; Y237-F271 HydrophobicContact CG-CD2 4.46Å; Y237-F271 AromaticContact CG-CE2 3.37Å; Y237-F271 HydrophobicContact CG-CE2 3.37Å; Y237-F271 AromaticContact CG-CZ 3.84Å; Y237-F271 HydrophobicContact CG-CZ 3.84Å; R269-F271 PolarHBondContact O-N 2.98Å; R269-F271 VanDerWaalsContact O-N 3.14Å; F271-V273 PolarHBondContact O-N 3.28Å | ||
| 272 | H | 57.2 | Low | 70.5 | Confident | 146 Ų | 146 | 112.1 Ų | 112.1 | 68% | 0.676 | 54% | 0.537 | S | S | * | . | trans | -61.9 | 94.6 | 165.3 | -74.7 | -80.4 | 0 | 0 | 0 | 106.9 | P270 K274 | P270-H272 VanDerWaalsContact C-N 3.3Å; P270-H272 PolarHBondContact O-N 3.32Å; H272-K274 VanDerWaalsContact C-N 3.25Å; H272-K274 PolarHBondContact O-N 3.06Å | ||
| 273 | V | 57.9 | Low | 68.8 | Low | 93 Ų | 93 | 117.8 Ų | 117.8 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | trans | -61.9 | 101.8 | 157.2 | -176.6 | 0 | 0 | 0 | 0 | 103.5 | F271 P275 | F271-V273 PolarHBondContact O-N 3.28Å; V273-P275 VanDerWaalsContact O-CD 3.26Å; V273-P275 WeakPolarHBondContact O-CD 3.5Å | ||
| 274 | K | 61.4 | Low | 67 | Low | 181 Ų | 181 | 121.1 Ų | 121.1 | 79% | 0.787 | 59% | 0.588 | S | S | * | * | trans | -56.3 | 118.8 | 164.5 | -71.2 | -175.8 | 179.5 | -179.2 | 0 | 104.6 | H272 F276 | H272-K274 VanDerWaalsContact C-N 3.25Å; H272-K274 PolarHBondContact O-N 3.06Å; K274-F276 PolarHBondContact O-N 2.73Å | ||
| 275 | P | 61.4 | Low | 64.9 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | trans | -53.9 | 121.4 | 173.9 | 22 | -30.9 | 0 | 0 | 0 | 105.9 | V273 S277 | V273-P275 VanDerWaalsContact O-CD 3.26Å; V273-P275 WeakPolarHBondContact O-CD 3.5Å; P275-S277 VanDerWaalsContact C-N 3.28Å; P275-S277 PolarHBondContact O-N 3.26Å | ||
| 276 | F | 52.6 | Low | 62.7 | Low | 183 Ų | 183 | 134.9 Ų | 134.9 | 80% | 0.803 | 65% | 0.649 | S | S | * | * | trans | -63.3 | 98.9 | 173.9 | -179.9 | -98.6 | 0 | 0 | 0 | 105.7 | K274 P278 | K274-F276 PolarHBondContact O-N 2.73Å; F276-P278 HydrophobicContact CD1-CB 4.38Å; F276-P278 HydrophobicContact CE1-CB 3.85Å; F276-P278 VanDerWaalsContact O-CD 3.25Å; F276-P278 WeakPolarHBondContact O-CD 3.04Å | ||
| 277 | S | 57.5 | Low | 60.6 | Low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | trans | -86 | 112.6 | 167 | 45.4 | 0 | 0 | 0 | 0 | 106 | P275 T279 | P275-S277 VanDerWaalsContact C-N 3.28Å; P275-S277 PolarHBondContact O-N 3.26Å; S277-T279 PolarHBondContact O-N 3.2Å | ||
| 278 | P | 59.8 | Low | 58.6 | Low | 105 Ų | 105 | 150.6 Ų | 150.6 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | -70.3 | 7.2 | 178.3 | 25.2 | -31.5 | 0 | 0 | 0 | 113.8 | F276 | F276-P278 HydrophobicContact CD1-CB 4.38Å; F276-P278 HydrophobicContact CE1-CB 3.85Å; F276-P278 VanDerWaalsContact O-CD 3.25Å; F276-P278 WeakPolarHBondContact O-CD 3.04Å | ||
| 279 | T | 53.4 | Low | 56.7 | Low | 109 Ų | 109 | 145.9 Ų | 145.9 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | trans | -138.2 | 90.5 | -164.7 | -40.4 | 0 | 0 | 0 | 0 | 110.8 | S277 | S277-T279 PolarHBondContact O-N 3.2Š| ||
| 280 | K | 51.2 | Low | 55.5 | Low | 195 Ų | 195 | 142.3 Ų | 142.3 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | trans | 177.6 | 101 | 142 | -95.1 | 164.4 | -166.6 | -169.6 | 0 | 107.7 | S282 | K280-S282 VanDerWaalsContact C-N 3.29Å; K280-S282 PolarHBondContact O-N 3.34Å | ||
| 281 | Y | 54.1 | Low | 54.8 | Low | 236 Ų | 236 | 144.8 Ų | 144.8 | 93% | 0.925 | 71% | 0.711 | S | S | * | * | trans | -47.2 | 102.1 | 149.3 | -106.5 | -103 | 0 | 0 | 0 | 106.9 | P283 | Y281-P283 WeakPolarHBondContact O-CD 3.34Š| ||
| 282 | S | 54.2 | Low | 53.9 | Low | 77 Ų | 77 | 147.1 Ų | 147.1 | 54% | 0.538 | 74% | 0.736 | S | S | . | * | trans | -93.4 | 110.9 | 165.6 | 174.6 | 0 | 0 | 0 | 0 | 106.4 | K280 Y284 | K280-S282 VanDerWaalsContact C-N 3.29Å; K280-S282 PolarHBondContact O-N 3.34Å; S282-Y284 PolarHBondContact O-N 3.05Å; S282-Y284 VanDerWaalsContact O-N 3.09Å; S282-Y284 PolarHBondContact OG-N 3.41Å | ||
| 283 | P | 60.6 | Low | 53.2 | Low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -0.6 | 176.5 | -14.2 | 29.9 | 0 | 0 | 0 | 113 | Y281 | Y281-P283 WeakPolarHBondContact O-CD 3.34Š|
| 284 | Y | 59.5 | Low | 52.5 | Low | 211 Ų | 211 | 148.5 Ų | 148.5 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 21.8 | -175.1 | -84.9 | -83.1 | 0 | 0 | 0 | 114.3 | S282 S286 | S282-Y284 PolarHBondContact O-N 3.05Å; S282-Y284 VanDerWaalsContact O-N 3.09Å; S282-Y284 PolarHBondContact OG-N 3.41Å; Y284-S286 PolarHBondContact O-N 3.37Å |
| 285 | R | 53 | Low | 52 | Low | 230 Ų | 230 | 145 Ų | 145 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | trans | -78.2 | 74 | 163.8 | -129.2 | -178.1 | -162.1 | -143 | 4.9 | 109.6 | F287 | R285-F287 PolarHBondContact O-N 2.68Å; R285-F287 VanDerWaalsContact O-N 3.08Å | ||
| 286 | S | 50.8 | Low | 51.4 | Low | 95 Ų | 95 | 146.7 Ų | 146.7 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -50.8 | 113.7 | 165.9 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | Y284 R288 | Y284-S286 PolarHBondContact O-N 3.37Å; S286-R288 PolarHBondContact O-N 2.86Å; S286-R288 VanDerWaalsContact O-N 3.1Å | ||
| 287 | F | 51.6 | Low | 51.3 | Low | 169 Ų | 169 | 146.9 Ų | 146.9 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 7.9 | 87.9 | 153.3 | -57.4 | -87.9 | 0 | 0 | 0 | 115.8 | R285 K289 | R285-F287 PolarHBondContact O-N 2.68Å; R285-F287 VanDerWaalsContact O-N 3.08Å; F287-K289 HydrophobicContact CD1-CD 4.37Å; F287-K289 HydrophobicContact CD1-CG 4.45Å | ||
| 288 | R | 51.5 | Low | 51 | Low | 241 Ų | 241 | 151.3 Ų | 151.3 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -102.7 | 76.5 | 134.8 | -69.5 | -162.1 | -167.5 | -154.9 | 3.6 | 107.1 | S286 T290 | S286-R288 PolarHBondContact O-N 2.86Å; S286-R288 VanDerWaalsContact O-N 3.1Å; R288-T290 PolarHBondContact O-N 3.31Å | ||
| 289 | K | 47.2 | Very low | 50.5 | Low | 144 Ų | 144 | 152.8 Ų | 152.8 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | trans | -63.3 | 106.9 | 154.4 | -93.4 | -179.8 | 161.1 | -140.9 | 0 | 106.4 | F287 D291 | F287-K289 HydrophobicContact CD1-CD 4.37Å; F287-K289 HydrophobicContact CD1-CG 4.45Å; K289-D291 HydrophobicContact CB-CB 4.26Å; K289-D291 WeakPolarHBondContact CD-OD2 3.47Å; K289-D291 WeakPolarHBondContact CE-OD2 3.27Å; K289-D291 IonicContact NZ-OD2 2.8Å; K289-D291 PolarHBondContact NZ-OD2 3.11Å; K289-D291 PolarHBondContact O-N 3.08Å; K289-D291 VanDerWaalsContact O-N 3.1Å | ||
| 290 | T | 49.2 | Very low | 50.3 | Low | 133 Ų | 133 | 152.9 Ų | 152.9 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -75.5 | 67.9 | 147.3 | 46.3 | 0 | 0 | 0 | 0 | 107 | R288 | R288-T290 PolarHBondContact O-N 3.31Š| ||
| 291 | D | 45.8 | Very low | 50.3 | Low | 93 Ų | 93 | 150.9 Ų | 150.9 | 50% | 0.497 | 78% | 0.78 | S | S | . | * | trans | -108.1 | 72.8 | 156.3 | -69 | -23.6 | 0 | 0 | 0 | 104.1 | K289 C293 | K289-D291 HydrophobicContact CB-CB 4.26Å; K289-D291 WeakPolarHBondContact CD-OD2 3.47Å; K289-D291 WeakPolarHBondContact CE-OD2 3.27Å; K289-D291 IonicContact NZ-OD2 2.8Å; K289-D291 PolarHBondContact NZ-OD2 3.11Å; K289-D291 PolarHBondContact O-N 3.08Å; K289-D291 VanDerWaalsContact O-N 3.1Å; D291-C293 PolarHBondContact O-N 3.25Å; D291-C293 VanDerWaalsContact O-N 3.08Å | ||
| 292 | S | 41.8 | Very low | 50.1 | Low | 121 Ų | 121 | 149.3 Ų | 149.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -76.8 | 87.2 | 152.6 | 51.3 | 0 | 0 | 0 | 0 | 105 | N294 | S292-N294 PolarHBondContact O-N 2.87Š| ||
| 293 | C | 42.9 | Very low | 49.8 | Very low | 99 Ų | 99 | 153.3 Ų | 153.3 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | -46.2 | 133.7 | 165.1 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | D291 S295 | D291-C293 PolarHBondContact O-N 3.25Å; D291-C293 VanDerWaalsContact O-N 3.08Å; C293-S295 PolarHBondContact O-N 3.41Å; C293-S295 VanDerWaalsContact O-N 3.13Å | ||
| 294 | N | 43.2 | Very low | 49.3 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -46.6 | 114.1 | 144.4 | -101.4 | -19.1 | 0 | 0 | 0 | 108.5 | S292 | S292-N294 PolarHBondContact O-N 2.87Š| ||
| 295 | S | 50.2 | Low | 48.8 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -141.3 | 124.5 | 147.7 | 54.8 | 0 | 0 | 0 | 0 | 107.4 | C293 | C293-S295 PolarHBondContact O-N 3.41Å; C293-S295 VanDerWaalsContact O-N 3.13Å | ||
| 296 | N | 50.1 | Low | 48.4 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -52.8 | 154.8 | 167 | -61.1 | -52.8 | 0 | 0 | 0 | 110.4 | ||||
| 297 | E | 50.1 | Low | 48.6 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 89.6 | 109.9 | 161.4 | -58.4 | 179.9 | 173.1 | 0 | 0 | 117.6 | ||
| 298 | E | 49.9 | Very low | 48.7 | Very low | 188 Ų | 188 | 148 Ų | 148 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | 59 | 110.3 | 160.3 | -71 | -167.8 | 128.4 | 0 | 0 | 121.5 | ||||
| 299 | P | 49.5 | Very low | 49.3 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -103.5 | 104.9 | 156.1 | 33.3 | -23.2 | 0 | 0 | 0 | 111.3 | ||||
| 300 | S | 50.7 | Low | 50.4 | Low | 110 Ų | 110 | 147.1 Ų | 147.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -76.9 | 122.2 | 161.5 | 54 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 301 | N | 49.7 | Very low | 51.4 | Low | 153 Ų | 153 | 148.5 Ų | 148.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 34 | 114.2 | 147.9 | -71.4 | -24.3 | 0 | 0 | 0 | 120.3 | ||||
| 302 | K | 50.8 | Low | 52.7 | Low | 204 Ų | 204 | 149.2 Ų | 149.2 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | 163.4 | 94.7 | 115.7 | -88.8 | 171.9 | -177.6 | -177.2 | 0 | 109.5 | |||||
| 303 | I | 46.8 | Very low | 54.4 | Low | 161 Ų | 161 | 146.9 Ų | 146.9 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -109.2 | 104.7 | 156.3 | -66.2 | 170.7 | 0 | 0 | 0 | 105.5 | C305 | I303-C305 HydrophobicContact CG2-CB 4.46Š| ||
| 304 | S | 50.5 | Low | 55.7 | Low | 116 Ų | 116 | 151.7 Ų | 151.7 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -82.9 | 101.1 | 161.7 | 53.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 305 | C | 49.5 | Very low | 57.2 | Low | 105 Ų | 105 | 151.2 Ų | 151.2 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | -139.9 | 115.7 | 155.8 | -71.3 | 0 | 0 | 0 | 0 | 105 | I303 L307 | I303-C305 HydrophobicContact CG2-CB 4.46Å; C305-L307 PolarHBondContact O-N 3.45Å | ||
| 306 | E | 45.9 | Very low | 58.3 | Low | 196 Ų | 196 | 151.6 Ų | 151.6 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -50.6 | 118.3 | -168.5 | -63.4 | 167.3 | 159.2 | 0 | 0 | 112.3 | ||||
| 307 | L | 54 | Low | 59.3 | Low | 140 Ų | 140 | 150.1 Ų | 150.1 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -133.9 | 100.5 | 163.5 | -110.7 | 158.6 | 0 | 0 | 0 | 104.7 | C305 R309 | C305-L307 PolarHBondContact O-N 3.45Å; L307-R309 PolarHBondContact O-N 3.05Å | ||
| 308 | N | 53.1 | Low | 60.5 | Low | 157 Ų | 157 | 150.5 Ų | 150.5 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -56.4 | 102.5 | 169.6 | -69.1 | -42.8 | 0 | 0 | 0 | 108.1 | ||||
| 309 | R | 64.3 | Low | 61.5 | Low | 215 Ų | 215 | 146.2 Ų | 146.2 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -132.6 | 99.9 | 164.6 | -79.3 | -171.6 | 169.6 | 170.9 | -2.6 | 105.8 | L307 L311 | L307-R309 PolarHBondContact O-N 3.05Å; R309-L311 PolarHBondContact O-N 3.25Å | ||
| 310 | D | 70.9 | Confident | 62.6 | Low | 151 Ų | 151 | 147.9 Ų | 147.9 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -55.4 | 132.7 | 176.4 | -62.6 | -40.8 | 0 | 0 | 0 | 109.8 | V312 | D310-V312 PolarHBondContact O-N 3.14Š| ||
| 311 | L | 70.8 | Confident | 63.2 | Low | 161 Ų | 161 | 155.7 Ų | 155.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -71 | 112.1 | 173.5 | -128.1 | 97.9 | 0 | 0 | 0 | 107.5 | R309 | R309-L311 PolarHBondContact O-N 3.25Š| ||
| 312 | V | 72.2 | Confident | 63.8 | Low | 109 Ų | 109 | 155.8 Ų | 155.8 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | -82.1 | 116.3 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 108 | D310 | D310-V312 PolarHBondContact O-N 3.14Š| ||
| 313 | T | 77.5 | Confident | 64.5 | Low | 72 Ų | 72 | 153.3 Ų | 153.3 | 44% | 0.442 | 77% | 0.774 | S | S | . | * | trans | -85.5 | 146.7 | 174 | 32 | 0 | 0 | 0 | 0 | 111 | E315 D316 | T313-E315 PolarHBondContact O-N 3.09Å; T313-D316 PolarHBondContact O-N 3.42Å | ||
| 314 | Y | 70.1 | Confident | 65.5 | Low | 199 Ų | 199 | 152.8 Ų | 152.8 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -58.4 | -18 | -175.3 | -103 | -91.8 | 0 | 0 | 0 | 114.8 | D316 L317 | Y314-D316 VanDerWaalsContact C-N 3.3Å; Y314-L317 PolarHBondContact O-N 2.91Å |
| 315 | E | 74.2 | Confident | 66.4 | Low | 160 Ų | 160 | 155 Ų | 155 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -72.1 | -23.5 | 178.5 | -69.1 | 163.9 | 176.2 | 0 | 0 | 112.5 | T313 L317 | T313-E315 PolarHBondContact O-N 3.09Å; E315-L317 VanDerWaalsContact C-N 3.26Å; E315-L317 PolarHBondContact O-N 3.37Å |
| 316 | D | 74.5 | Confident | 67.4 | Low | 114 Ų | 114 | 158.1 Ų | 158.1 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -76 | -12 | 177.4 | -71.4 | -30.6 | 0 | 0 | 0 | 113.3 | T313 Y314 | T313-D316 PolarHBondContact O-N 3.42Å; Y314-D316 VanDerWaalsContact C-N 3.3Å |
| 317 | L | 70.9 | Confident | 68.9 | Low | 119 Ų | 119 | 155.6 Ų | 155.6 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -88.4 | -5.5 | -178.4 | -69.2 | 174.3 | 0 | 0 | 0 | 114.4 | Y314 E315 | Y314-L317 PolarHBondContact O-N 2.91Å; E315-L317 VanDerWaalsContact C-N 3.26Å; E315-L317 PolarHBondContact O-N 3.37Å |
| 318 | Y | 75.5 | Confident | 69.9 | Low | 195 Ų | 195 | 156.7 Ų | 156.7 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -126.5 | 12.5 | -173.1 | -82.1 | -79.5 | 0 | 0 | 0 | 115.4 | ||
| 319 | S | 70.4 | Confident | 71.2 | Confident | 97 Ų | 97 | 156.7 Ų | 156.7 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -88.7 | 4.2 | -176.3 | -69.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 320 | D | 72.3 | Confident | 71.8 | Confident | 171 Ų | 171 | 151.8 Ų | 151.8 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | trans | -99 | 98 | 168.3 | -77.3 | -23.8 | 0 | 0 | 0 | 110.3 | ||||
| 321 | K | 62.5 | Low | 71.9 | Confident | 274 Ų | 274 | 151.9 Ų | 151.9 | 100% | 1.191 | 75% | 0.75 | S | S | * | * | trans | -124.9 | 0 | 157 | -86.3 | -170.2 | 178.6 | -179.9 | 0 | 108.8 |
Retrieved 321 of 321 residues in 72.9 ms
(Link to these results)