| 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 | 35.7 | Very low | 45.3 | Very low | 206 Ų | 206 | 163.7 Ų | 163.7 | 100% | 1.015 | 82% | 0.819 | S | S | * | * | 0 | 76.8 | 0 | -40.6 | -48.7 | -81.7 | 0 | 0 | 107.2 | |||||
| 2 | E | 40.2 | Very low | 45.6 | Very low | 174 Ų | 174 | 158.7 Ų | 158.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | 61.6 | 115.9 | 83.5 | -59.9 | 171.7 | 168.5 | 0 | 0 | 109.9 | |||||
| 3 | G | 44.1 | Very low | 44.9 | Very low | 66 Ų | 66 | 151.2 Ų | 151.2 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | cis | 109.4 | 111.1 | 29.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | K | 43.5 | Very low | 44.7 | Very low | 214 Ų | 214 | 146.3 Ų | 146.3 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -176.1 | 101.4 | 166.5 | -102.6 | 153.3 | -161.6 | -173.6 | 0 | 109.5 | ||||
| 5 | G | 45.6 | Very low | 43.9 | Very low | 69 Ų | 69 | 143.5 Ų | 143.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -84.6 | 150.4 | 164 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 6 | P | 57.5 | Low | 43.8 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -86.4 | 117.4 | -179 | 31.7 | -31.4 | 0 | 0 | 0 | 113.1 | ||||
| 7 | Y | 44.9 | Very low | 43.5 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 41.6 | 105.5 | 140.7 | -63.8 | -83.7 | 0 | 0 | 0 | 120.2 | ||||
| 8 | R | 51 | Low | 43 | Very low | 256 Ų | 256 | 148.3 Ų | 148.3 | 97% | 0.966 | 80% | 0.801 | S | S | * | * | trans | -69.2 | 134.5 | 142.7 | -73 | 179.9 | 173.8 | 171.8 | -2.7 | 108.9 | ||||
| 9 | I | 46.5 | Very low | 43 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | trans | -134.4 | 133.9 | 168.2 | -50.7 | 179.6 | 0 | 0 | 0 | 108.3 | ||||
| 10 | Y | 45.4 | Very low | 43.1 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | 74.9 | 94.3 | 175.1 | -113.6 | -98.3 | 0 | 0 | 0 | 119 | P12 | Y10-P12 HydrophobicContact CD1-CB 4.26Å; Y10-P12 HydrophobicContact CD1-CG 4.36Å; Y10-P12 HydrophobicContact CE1-CB 4.09Å | ||
| 11 | D | 43.6 | Very low | 43.1 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -110.9 | 110.6 | 150.6 | 174.5 | 13.4 | 0 | 0 | 0 | 107.2 | G13 | D11-G13 PolarHBondContact O-N 2.91Š| ||
| 12 | P | 49.2 | Very low | 43.6 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -87.5 | 88.9 | 172.3 | 32.4 | -27.3 | 0 | 0 | 0 | 109.4 | Y10 | Y10-P12 HydrophobicContact CD1-CB 4.26Å; Y10-P12 HydrophobicContact CD1-CG 4.36Å; Y10-P12 HydrophobicContact CE1-CB 4.09Å | ||
| 13 | G | 36.1 | Very low | 44 | Very low | 61 Ų | 61 | 146.6 Ų | 146.6 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | trans | -65.8 | 148.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D11 | D11-G13 PolarHBondContact O-N 2.91Š| ||
| 14 | G | 43 | Very low | 44.2 | Very low | 83 Ų | 83 | 148 Ų | 148 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 67.9 | 102.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 15 | S | 32.3 | Very low | 44.5 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -140 | 96.8 | 155 | 168.3 | 0 | 0 | 0 | 0 | 109.7 | V17 | S15-V17 PolarHBondContact O-N 2.93Å; S15-V17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | E | 42.6 | Very low | 45.1 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 95% | 0.949 | 76% | 0.757 | S | S | * | * | trans | -63.6 | 110.4 | 165.9 | -70.6 | -168.8 | 156.9 | 0 | 0 | 109.8 | ||||
| 17 | V | 39 | Very low | 45 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | trans | -113.1 | 109 | 165.8 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | S15 | S15-V17 PolarHBondContact O-N 2.93Å; S15-V17 VanDerWaalsContact O-N 3.14Å | ||
| 18 | K | 33.6 | Very low | 46.3 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | -15.7 | 128.3 | 164.8 | -66.6 | 167.9 | 178.5 | 172.2 | 0 | 114.9 | R20 | K18-R20 PolarHBondContact O-N 3.36Š| ||
| 19 | A | 42.4 | Very low | 47.6 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -58.7 | 93.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 20 | R | 46.7 | Very low | 49.3 | Very low | 225 Ų | 225 | 127.7 Ų | 127.7 | 85% | 0.849 | 71% | 0.713 | S | S | * | * | trans | -161.6 | 59 | 164.6 | -154.5 | -176.4 | -170.1 | -159.1 | 1.8 | 113.6 | K18 | K18-R20 PolarHBondContact O-N 3.36Š| ||
| 21 | D | 43 | Very low | 51.4 | Low | 129 Ų | 129 | 123 Ų | 123 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | trans | -166.7 | 51.7 | 157 | -107.9 | -18.7 | 0 | 0 | 0 | 114.9 | V23 | D21-V23 PolarHBondContact O-N 2.96Š| ||
| 22 | E | 45.8 | Very low | 53.5 | Low | 190 Ų | 190 | 120.9 Ų | 120.9 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71 | -11.8 | 176.7 | -69.5 | -166 | 143 | 0 | 0 | 114.5 | ||
| 23 | V | 48.1 | Very low | 55.2 | Low | 134 Ų | 134 | 120 Ų | 120 | 81% | 0.812 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -81.8 | -27.8 | -176.7 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | D21 | D21-V23 PolarHBondContact O-N 2.96Å |
| 24 | V | 48.8 | Very low | 57.7 | Low | 95 Ų | 95 | 123.2 Ų | 123.2 | 58% | 0.576 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -88.2 | -36.4 | -177.4 | -176.7 | 0 | 0 | 0 | 0 | 112 | G26 S27 S28 | V24-G26 VanDerWaalsContact C-N 3.28Å; V24-G26 PolarHBondContact O-N 3.37Å; V24-S27 PolarHBondContact O-N 2.88Å; V24-S27 VanDerWaalsContact O-N 3.11Å; V24-S28 PolarHBondContact O-N 3.43Å |
| 25 | G | 50.3 | Low | 59.9 | Low | 43 Ų | 43 | 123.1 Ų | 123.1 | 44% | 0.443 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -59.4 | -34.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S27 S28 Y29 | G25-S27 VanDerWaalsContact C-N 3.29Å; G25-S27 PolarHBondContact O-N 2.92Å; G25-S28 PolarHBondContact O-N 3.46Å; G25-Y29 PolarHBondContact O-N 3.5Å |
| 26 | G | 57.1 | Low | 62.6 | Low | 45 Ų | 45 | 121.6 Ų | 121.6 | 46% | 0.464 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.3 | -29.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V24 R30 | V24-G26 VanDerWaalsContact C-N 3.28Å; V24-G26 PolarHBondContact O-N 3.37Å; G26-R30 VanDerWaalsContact O-CB 3.32Å; G26-R30 WeakPolarHBondContact O-CB 3.26Å; G26-R30 PolarHBondContact O-N 3.38Å; G26-R30 VanDerWaalsContact O-N 3.14Å |
| 27 | S | 55.4 | Low | 65 | Low | 79 Ų | 79 | 115.1 Ų | 115.1 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.7 | -44.5 | 175.3 | -165.3 | 0 | 0 | 0 | 0 | 111.1 | V24 G25 R30 Q31 | V24-S27 PolarHBondContact O-N 2.88Å; V24-S27 VanDerWaalsContact O-N 3.11Å; G25-S27 VanDerWaalsContact C-N 3.29Å; G25-S27 PolarHBondContact O-N 2.92Å; S27-R30 PolarHBondContact O-N 2.8Å; S27-Q31 WeakPolarHBondContact O-CB 3.2Å; S27-Q31 PolarHBondContact O-N 2.88Å |
| 28 | S | 71.9 | Confident | 67.5 | Low | 70 Ų | 70 | 113.2 Ų | 113.2 | 49% | 0.49 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.4 | -47 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | V24 G25 R30 Q31 L32 | V24-S28 PolarHBondContact O-N 3.43Å; G25-S28 PolarHBondContact O-N 3.46Å; S28-R30 PolarHBondContact O-N 3.43Å; S28-Q31 PolarHBondContact O-N 2.96Å; S28-L32 WeakPolarHBondContact O-CB 3.46Å; S28-L32 PolarHBondContact O-N 3.4Å |
| 29 | Y | 78.6 | Confident | 70.4 | Confident | 154 Ų | 154 | 108.7 Ų | 108.7 | 60% | 0.604 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.2 | -39 | 177.6 | -176.7 | -110.8 | 0 | 0 | 0 | 112.8 | G25 L32 L33 | G25-Y29 PolarHBondContact O-N 3.5Å; Y29-L32 PolarHBondContact O-N 3.02Å; Y29-L33 HydrophobicContact CD1-CD1 4.08Å; Y29-L33 HydrophobicContact CE1-CD1 3.63Å; Y29-L33 HydrophobicContact CE1-CG 4.24Å; Y29-L33 WeakPolarHBondContact O-CG 3.41Å; Y29-L33 PolarHBondContact O-N 2.89Å |
| 30 | R | 83.3 | Confident | 72.7 | Confident | 187 Ų | 187 | 110.2 Ų | 110.2 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.5 | -45.9 | 174.3 | -178.5 | 179.9 | -66.9 | -165.3 | -1.2 | 111.7 | G26 S27 S28 L32 L33 E34 | G26-R30 VanDerWaalsContact O-CB 3.32Å; G26-R30 WeakPolarHBondContact O-CB 3.26Å; G26-R30 PolarHBondContact O-N 3.38Å; G26-R30 VanDerWaalsContact O-N 3.14Å; S27-R30 PolarHBondContact O-N 2.8Å; S28-R30 PolarHBondContact O-N 3.43Å; R30-L32 VanDerWaalsContact C-N 3.34Å; R30-L32 PolarHBondContact O-N 3.42Å; R30-L33 PolarHBondContact O-N 3.2Å; R30-E34 PolarHBondContact O-N 2.88Å; R30-E34 VanDerWaalsContact O-N 3.1Å |
| 31 | Q | 88.1 | Confident | 74.8 | Confident | 108 Ų | 108 | 106.1 Ų | 106.1 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.1 | -42.1 | 177.9 | -174.6 | 176.2 | -19.2 | 0 | 0 | 111.5 | S27 S28 L33 E34 E35 | S27-Q31 WeakPolarHBondContact O-CB 3.2Å; S27-Q31 PolarHBondContact O-N 2.88Å; S28-Q31 PolarHBondContact O-N 2.96Å; Q31-L33 VanDerWaalsContact C-N 3.34Å; Q31-L33 PolarHBondContact O-N 3.09Å; Q31-E34 PolarHBondContact O-N 2.85Å; Q31-E35 HydrophobicContact CG-CG 4.49Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.5Å; Q31-E35 PolarHBondContact NE2-OE1 3.41Å; Q31-E35 WeakPolarHBondContact O-CB 3.29Å; Q31-E35 WeakPolarHBondContact O-CG 3.39Å; Q31-E35 PolarHBondContact O-N 3.4Å |
| 32 | L | 88.2 | Confident | 77.2 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.7 | -39.1 | 172.9 | -93.9 | 154.7 | 0 | 0 | 0 | 113.3 | S28 Y29 R30 N36 | S28-L32 WeakPolarHBondContact O-CB 3.46Å; S28-L32 PolarHBondContact O-N 3.4Å; Y29-L32 PolarHBondContact O-N 3.02Å; R30-L32 VanDerWaalsContact C-N 3.34Å; R30-L32 PolarHBondContact O-N 3.42Å; L32-N36 VanDerWaalsContact O-CB 3.27Å; L32-N36 WeakPolarHBondContact O-CB 3.39Å; L32-N36 PolarHBondContact O-N 3.35Å |
| 33 | L | 85.1 | Confident | 79.4 | Confident | 86 Ų | 86 | 104.4 Ų | 104.4 | 45% | 0.45 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 175.6 | -71.8 | 174.5 | 0 | 0 | 0 | 112.4 | Y29 R30 Q31 N36 S37 | Y29-L33 HydrophobicContact CD1-CD1 4.08Å; Y29-L33 HydrophobicContact CE1-CD1 3.63Å; Y29-L33 HydrophobicContact CE1-CG 4.24Å; Y29-L33 WeakPolarHBondContact O-CG 3.41Å; Y29-L33 PolarHBondContact O-N 2.89Å; R30-L33 PolarHBondContact O-N 3.2Å; Q31-L33 VanDerWaalsContact C-N 3.34Å; Q31-L33 PolarHBondContact O-N 3.09Å; L33-N36 PolarHBondContact O-N 3.43Å; L33-S37 PolarHBondContact O-N 2.87Å |
| 34 | E | 88.3 | Confident | 81.6 | Confident | 127 Ų | 127 | 105.3 Ų | 105.3 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.6 | -44.3 | 177.7 | -169.9 | 160.3 | -148.1 | 0 | 0 | 111.5 | R30 Q31 N36 S37 M38 | R30-E34 PolarHBondContact O-N 2.88Å; R30-E34 VanDerWaalsContact O-N 3.1Å; Q31-E34 PolarHBondContact O-N 2.85Å; E34-N36 VanDerWaalsContact C-N 3.34Å; E34-N36 PolarHBondContact O-N 3.46Å; E34-S37 WeakPolarHBondContact O-CB 3.41Å; E34-S37 PolarHBondContact O-N 3.36Å; E34-S37 VanDerWaalsContact O-N 3.14Å; E34-M38 PolarHBondContact O-N 2.98Å |
| 35 | E | 89.5 | Confident | 83.7 | Confident | 82 Ų | 82 | 102.8 Ų | 102.8 | 38% | 0.383 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 170.9 | -72.9 | 177.3 | -165.5 | 0 | 0 | 112 | Q31 S37 M38 L39 | Q31-E35 HydrophobicContact CG-CG 4.49Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.5Å; Q31-E35 PolarHBondContact NE2-OE1 3.41Å; Q31-E35 WeakPolarHBondContact O-CB 3.29Å; Q31-E35 WeakPolarHBondContact O-CG 3.39Å; Q31-E35 PolarHBondContact O-N 3.4Å; E35-S37 VanDerWaalsContact C-N 3.31Å; E35-S37 PolarHBondContact O-N 3.44Å; E35-M38 HydrophobicContact CG-CE 4.07Å; E35-M38 PolarHBondContact O-N 2.85Å; E35-L39 WeakPolarHBondContact O-CB 3.23Å; E35-L39 VanDerWaalsContact O-CG 3.27Å; E35-L39 WeakPolarHBondContact O-CG 3.35Å; E35-L39 PolarHBondContact O-N 3.21Å |
| 36 | N | 89.5 | Confident | 85.7 | Confident | 71 Ų | 71 | 106.2 Ų | 106.2 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.6 | -33.2 | 175.1 | -151.1 | -91.6 | 0 | 0 | 0 | 112.1 | L32 L33 E34 R40 | L32-N36 VanDerWaalsContact O-CB 3.27Å; L32-N36 WeakPolarHBondContact O-CB 3.39Å; L32-N36 PolarHBondContact O-N 3.35Å; L33-N36 PolarHBondContact O-N 3.43Å; E34-N36 VanDerWaalsContact C-N 3.34Å; E34-N36 PolarHBondContact O-N 3.46Å; N36-R40 VanDerWaalsContact O-CG 3.29Å; N36-R40 WeakPolarHBondContact O-CG 3.42Å; N36-R40 PolarHBondContact O-N 2.93Å; N36-R40 VanDerWaalsContact OD1-CZ 3.23Å; N36-R40 PolarHBondContact OD1-NE 2.87Å; N36-R40 PolarHBondContact OD1-NH2 3.28Å |
| 37 | S | 92.3 | Very high | 87.4 | Confident | 67 Ų | 67 | 110.7 Ų | 110.7 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -50.5 | 172.2 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | L33 E34 E35 L39 R40 E41 | L33-S37 PolarHBondContact O-N 2.87Å; E34-S37 WeakPolarHBondContact O-CB 3.41Å; E34-S37 PolarHBondContact O-N 3.36Å; E34-S37 VanDerWaalsContact O-N 3.14Å; E35-S37 VanDerWaalsContact C-N 3.31Å; E35-S37 PolarHBondContact O-N 3.44Å; S37-L39 VanDerWaalsContact C-N 3.3Å; S37-L39 PolarHBondContact O-N 3.29Å; S37-R40 WeakPolarHBondContact O-CB 3.33Å; S37-R40 PolarHBondContact O-N 2.93Å; S37-R40 VanDerWaalsContact O-N 3.13Å; S37-E41 PolarHBondContact O-N 2.86Å |
| 38 | M | 90.7 | Very high | 89.3 | Confident | 85 Ų | 85 | 110.4 Ų | 110.4 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 175.5 | -71.1 | -169.8 | -75.1 | 0 | 0 | 112.5 | E34 E35 E41 R42 | E34-M38 PolarHBondContact O-N 2.98Å; E35-M38 HydrophobicContact CG-CE 4.07Å; E35-M38 PolarHBondContact O-N 2.85Å; M38-E41 PolarHBondContact O-N 3.36Å; M38-R42 WeakPolarHBondContact O-CG 3.43Å; M38-R42 PolarHBondContact O-N 3.2Å |
| 39 | L | 94.6 | Very high | 90.5 | Very high | 95 Ų | 95 | 111.6 Ų | 111.6 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 175.1 | -76.4 | 169.5 | 0 | 0 | 0 | 112 | E35 S37 E41 R42 M43 | E35-L39 WeakPolarHBondContact O-CB 3.23Å; E35-L39 VanDerWaalsContact O-CG 3.27Å; E35-L39 WeakPolarHBondContact O-CG 3.35Å; E35-L39 PolarHBondContact O-N 3.21Å; S37-L39 VanDerWaalsContact C-N 3.3Å; S37-L39 PolarHBondContact O-N 3.29Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 3.24Å; L39-R42 PolarHBondContact O-N 3.48Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 VanDerWaalsContact O-CG 3.23Å; L39-M43 WeakPolarHBondContact O-CG 3.31Å; L39-M43 PolarHBondContact O-N 3.21Å |
| 40 | R | 92.3 | Very high | 91.2 | Very high | 143 Ų | 143 | 105.8 Ų | 105.8 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 173.6 | -69.5 | 168.6 | -152.9 | 161.1 | 2.2 | 111.8 | N36 S37 M43 K44 | N36-R40 VanDerWaalsContact O-CG 3.29Å; N36-R40 WeakPolarHBondContact O-CG 3.42Å; N36-R40 PolarHBondContact O-N 2.93Å; N36-R40 VanDerWaalsContact OD1-CZ 3.23Å; N36-R40 PolarHBondContact OD1-NE 2.87Å; N36-R40 PolarHBondContact OD1-NH2 3.28Å; S37-R40 WeakPolarHBondContact O-CB 3.33Å; S37-R40 PolarHBondContact O-N 2.93Å; S37-R40 VanDerWaalsContact O-N 3.13Å; R40-M43 PolarHBondContact O-N 3.34Å; R40-K44 WeakPolarHBondContact O-CG 3.48Å; R40-K44 PolarHBondContact O-N 3.35Å |
| 41 | E | 90.7 | Very high | 91.7 | Very high | 139 Ų | 139 | 101.9 Ų | 101.9 | 65% | 0.65 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.1 | -46.4 | 175.6 | -170 | 170.6 | -163.9 | 0 | 0 | 111.8 | S37 M38 L39 M43 K44 G45 | S37-E41 PolarHBondContact O-N 2.86Å; M38-E41 PolarHBondContact O-N 3.36Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 3.24Å; E41-M43 VanDerWaalsContact C-N 3.31Å; E41-M43 PolarHBondContact O-N 2.88Å; E41-K44 WeakPolarHBondContact O-CB 3.43Å; E41-K44 PolarHBondContact O-N 2.92Å; E41-K44 VanDerWaalsContact O-N 3.08Å; E41-G45 PolarHBondContact O-N 2.87Å |
| 42 | R | 92.8 | Very high | 92.1 | Very high | 178 Ų | 178 | 101.7 Ų | 101.7 | 67% | 0.672 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.5 | -40.3 | 171.8 | -72.7 | 177.6 | -179.5 | 171.4 | 2.4 | 112.3 | M38 L39 K44 G45 L46 | M38-R42 WeakPolarHBondContact O-CG 3.43Å; M38-R42 PolarHBondContact O-N 3.2Å; L39-R42 PolarHBondContact O-N 3.48Å; R42-K44 VanDerWaalsContact C-N 3.33Å; R42-K44 PolarHBondContact O-N 2.94Å; R42-G45 PolarHBondContact O-N 3.48Å; R42-L46 WeakPolarHBondContact O-CB 3.44Å; R42-L46 PolarHBondContact O-N 2.94Å |
| 43 | M | 93 | Very high | 92.4 | Very high | 104 Ų | 104 | 102.1 Ų | 102.1 | 51% | 0.512 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -30.1 | 175.3 | -75.1 | -63.4 | -65 | 0 | 0 | 113.2 | L39 R40 E41 L46 K47 | L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 VanDerWaalsContact O-CG 3.23Å; L39-M43 WeakPolarHBondContact O-CG 3.31Å; L39-M43 PolarHBondContact O-N 3.21Å; R40-M43 PolarHBondContact O-N 3.34Å; E41-M43 VanDerWaalsContact C-N 3.31Å; E41-M43 PolarHBondContact O-N 2.88Å; M43-L46 HydrophobicContact SD-CD2 4.49Å; M43-K47 VanDerWaalsContact O-CG 3.29Å; M43-K47 WeakPolarHBondContact O-CG 3.43Å; M43-K47 PolarHBondContact O-N 3.44Å; M43-K47 VanDerWaalsContact O-N 3.15Å |
| 44 | K | 93.5 | Very high | 92.9 | Very high | 153 Ų | 153 | 104.5 Ų | 104.5 | 67% | 0.665 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.9 | -44.4 | 169.9 | -72.3 | 171.4 | 179.9 | -177.9 | 0 | 111 | R40 E41 R42 L46 K47 S48 | R40-K44 WeakPolarHBondContact O-CG 3.48Å; R40-K44 PolarHBondContact O-N 3.35Å; E41-K44 WeakPolarHBondContact O-CB 3.43Å; E41-K44 PolarHBondContact O-N 2.92Å; E41-K44 VanDerWaalsContact O-N 3.08Å; R42-K44 VanDerWaalsContact C-N 3.33Å; R42-K44 PolarHBondContact O-N 2.94Å; K44-L46 VanDerWaalsContact C-N 3.35Å; K44-L46 PolarHBondContact O-N 3.03Å; K44-K47 PolarHBondContact O-N 2.98Å; K44-S48 PolarHBondContact O-N 3.47Å |
| 45 | G | 92.8 | Very high | 93.1 | Very high | 43 Ų | 43 | 104.3 Ų | 104.3 | 44% | 0.443 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E41 R42 K47 S48 L49 | E41-G45 PolarHBondContact O-N 2.87Å; R42-G45 PolarHBondContact O-N 3.48Å; G45-K47 PolarHBondContact O-N 3.43Å; G45-S48 PolarHBondContact O-N 2.9Å; G45-L49 WeakPolarHBondContact O-CB 3.46Å; G45-L49 PolarHBondContact O-N 3.01Å |
| 46 | L | 92.4 | Very high | 93.3 | Very high | 115 Ų | 115 | 103.7 Ų | 103.7 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -37.4 | 177.8 | -157.9 | 77.7 | 0 | 0 | 0 | 112.4 | R42 M43 K44 G50 | R42-L46 WeakPolarHBondContact O-CB 3.44Å; R42-L46 PolarHBondContact O-N 2.94Å; M43-L46 HydrophobicContact SD-CD2 4.49Å; K44-L46 VanDerWaalsContact C-N 3.35Å; K44-L46 PolarHBondContact O-N 3.03Å; L46-G50 PolarHBondContact O-N 2.93Å |
| 47 | K | 92.4 | Very high | 93.5 | Very high | 138 Ų | 138 | 106.8 Ų | 106.8 | 60% | 0.6 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64 | -50.9 | 172.2 | -75.1 | 173.5 | 178.6 | -170.5 | 0 | 111.5 | M43 K44 G45 L49 G50 D51 | M43-K47 VanDerWaalsContact O-CG 3.29Å; M43-K47 WeakPolarHBondContact O-CG 3.43Å; M43-K47 PolarHBondContact O-N 3.44Å; M43-K47 VanDerWaalsContact O-N 3.15Å; K44-K47 PolarHBondContact O-N 2.98Å; G45-K47 PolarHBondContact O-N 3.43Å; K47-L49 PolarHBondContact O-N 3.31Å; K47-G50 CarbonylContact O-C 3.55Å; K47-G50 VanDerWaalsContact O-CA 3.31Å; K47-G50 WeakPolarHBondContact O-CA 3.35Å; K47-G50 PolarHBondContact O-N 3.49Å; K47-D51 VanDerWaalsContact O-CG 3.22Å; K47-D51 PolarHBondContact O-N 2.83Å |
| 48 | S | 95.8 | Very high | 93.5 | Very high | 74 Ų | 74 | 105.7 Ų | 105.7 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.3 | -32.7 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | K44 G45 L52 | K44-S48 PolarHBondContact O-N 3.47Å; G45-S48 PolarHBondContact O-N 2.9Å; S48-L52 WeakPolarHBondContact O-CB 3.4Å; S48-L52 PolarHBondContact O-N 3.33Å; S48-L52 VanDerWaalsContact O-N 3.14Å |
| 49 | L | 95.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 107 Ų | 107 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | 172.1 | -176.7 | 64.6 | 0 | 0 | 0 | 112.1 | G45 K47 L53 | G45-L49 WeakPolarHBondContact O-CB 3.46Å; G45-L49 PolarHBondContact O-N 3.01Å; K47-L49 PolarHBondContact O-N 3.31Å; L49-L53 HydrophobicContact CG-CD1 4.24Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 VanDerWaalsContact O-CG 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.28Å; L49-L53 PolarHBondContact O-N 3.5Å |
| 50 | G | 94.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 104 Ų | 104 | 34% | 0.34 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L46 K47 L52 L53 E54 | L46-G50 PolarHBondContact O-N 2.93Å; K47-G50 CarbonylContact O-C 3.55Å; K47-G50 VanDerWaalsContact O-CA 3.31Å; K47-G50 WeakPolarHBondContact O-CA 3.35Å; K47-G50 PolarHBondContact O-N 3.49Å; G50-L52 VanDerWaalsContact C-N 3.31Å; G50-L52 PolarHBondContact O-N 2.87Å; G50-L53 PolarHBondContact O-N 2.68Å; G50-L53 VanDerWaalsContact O-N 3.15Å; G50-E54 PolarHBondContact O-N 3.29Å |
| 51 | D | 93.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.5 | -43.9 | 177.3 | -53.2 | -31.8 | 0 | 0 | 0 | 111 | K47 E54 E55 | K47-D51 VanDerWaalsContact O-CG 3.22Å; K47-D51 PolarHBondContact O-N 2.83Å; D51-E54 PolarHBondContact O-N 3.47Å; D51-E55 PolarHBondContact O-N 3.32Å |
| 52 | L | 96.4 | Very high | 94 | Very high | 103 Ų | 103 | 99.6 Ų | 99.6 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69 | -33.9 | 177.7 | -172.7 | 66.2 | 0 | 0 | 0 | 113.1 | S48 G50 S56 | S48-L52 WeakPolarHBondContact O-CB 3.4Å; S48-L52 PolarHBondContact O-N 3.33Å; S48-L52 VanDerWaalsContact O-N 3.14Å; G50-L52 VanDerWaalsContact C-N 3.31Å; G50-L52 PolarHBondContact O-N 2.87Å; L52-S56 VanDerWaalsContact O-CB 3.3Å; L52-S56 WeakPolarHBondContact O-CB 3.34Å; L52-S56 PolarHBondContact O-N 3.01Å |
| 53 | L | 95.5 | Very high | 94.1 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.1 | -39 | 173.8 | -80.1 | 166.4 | 0 | 0 | 0 | 111.6 | L49 G50 S56 Q57 | L49-L53 HydrophobicContact CG-CD1 4.24Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 VanDerWaalsContact O-CG 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.28Å; L49-L53 PolarHBondContact O-N 3.5Å; G50-L53 PolarHBondContact O-N 2.68Å; G50-L53 VanDerWaalsContact O-N 3.15Å; L53-S56 PolarHBondContact O-N 3.41Å; L53-Q57 WeakPolarHBondContact O-CB 3.23Å; L53-Q57 PolarHBondContact O-N 2.86Å |
| 54 | E | 95.1 | Very high | 94.2 | Very high | 136 Ų | 136 | 98.5 Ų | 98.5 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -43.5 | 174 | -175.4 | 171 | -169.2 | 0 | 0 | 111.2 | G50 D51 S56 Q57 S58 | G50-E54 PolarHBondContact O-N 3.29Å; D51-E54 PolarHBondContact O-N 3.47Å; E54-S56 PolarHBondContact O-N 2.94Å; E54-Q57 PolarHBondContact O-N 3.37Å; E54-S58 WeakPolarHBondContact O-CB 3.45Å; E54-S58 PolarHBondContact O-N 3.02Å |
| 55 | E | 91.7 | Very high | 94.2 | Very high | 124 Ų | 124 | 96.3 Ų | 96.3 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.6 | -50.4 | 173.3 | -176.5 | 170.9 | -154.6 | 0 | 0 | 111.2 | D51 Q57 S58 E59 | D51-E55 PolarHBondContact O-N 3.32Å; E55-Q57 PolarHBondContact O-N 2.89Å; E55-S58 WeakPolarHBondContact O-CB 3.47Å; E55-S58 PolarHBondContact O-N 2.95Å; E55-S58 VanDerWaalsContact O-N 3.12Å; E55-S58 PolarHBondContact O-OG 3.3Å; E55-E59 PolarHBondContact O-N 3.24Å |
| 56 | S | 94.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 102.3 Ų | 102.3 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 112.8 | L52 L53 E54 E59 A60 | L52-S56 VanDerWaalsContact O-CB 3.3Å; L52-S56 WeakPolarHBondContact O-CB 3.34Å; L52-S56 PolarHBondContact O-N 3.01Å; L53-S56 PolarHBondContact O-N 3.41Å; E54-S56 PolarHBondContact O-N 2.94Å; S56-E59 PolarHBondContact O-N 3.47Å; S56-A60 VanDerWaalsContact O-CB 3.31Å; S56-A60 WeakPolarHBondContact O-CB 3.42Å; S56-A60 PolarHBondContact O-N 3.46Å |
| 57 | Q | 93.1 | Very high | 94.3 | Very high | 136 Ų | 136 | 101 Ų | 101 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 174 | -171.9 | 177.8 | 23.6 | 0 | 0 | 111.7 | L53 E54 E55 S61 | L53-Q57 WeakPolarHBondContact O-CB 3.23Å; L53-Q57 PolarHBondContact O-N 2.86Å; E54-Q57 PolarHBondContact O-N 3.37Å; E55-Q57 PolarHBondContact O-N 2.89Å; Q57-S61 WeakPolarHBondContact O-CB 3.33Å; Q57-S61 PolarHBondContact O-N 2.85Å; Q57-S61 PolarHBondContact O-OG 3.26Å |
| 58 | S | 91.4 | Very high | 94.4 | Very high | 43 Ų | 43 | 100.1 Ų | 100.1 | 30% | 0.301 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 175.3 | 92.4 | 0 | 0 | 0 | 0 | 111.4 | E54 E55 S61 K62 | E54-S58 WeakPolarHBondContact O-CB 3.45Å; E54-S58 PolarHBondContact O-N 3.02Å; E55-S58 WeakPolarHBondContact O-CB 3.47Å; E55-S58 PolarHBondContact O-N 2.95Å; E55-S58 VanDerWaalsContact O-N 3.12Å; E55-S58 PolarHBondContact O-OG 3.3Å; S58-S61 PolarHBondContact O-N 3.34Å; S58-K62 WeakPolarHBondContact O-CD 3.26Å; S58-K62 VanDerWaalsContact O-CG 3.27Å; S58-K62 WeakPolarHBondContact O-CG 3.27Å; S58-K62 PolarHBondContact O-N 3.03Å; S58-K62 PolarHBondContact OG-NZ 3.4Å |
| 59 | E | 95.1 | Very high | 94.2 | Very high | 113 Ų | 113 | 99.9 Ų | 99.9 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.9 | -45.9 | 178.8 | -172.1 | 174.3 | -155.3 | 0 | 0 | 111.3 | E55 S56 S61 K62 L63 | E55-E59 PolarHBondContact O-N 3.24Å; S56-E59 PolarHBondContact O-N 3.47Å; E59-S61 PolarHBondContact O-N 2.87Å; E59-K62 PolarHBondContact O-N 3.48Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-L63 HydrophobicContact CG-CD1 4.27Å; E59-L63 WeakPolarHBondContact O-CB 3.32Å; E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.05Å |
| 60 | A | 93.9 | Very high | 94 | Very high | 31 Ų | 31 | 100.4 Ų | 100.4 | 26% | 0.256 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.8 | -34.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S56 R64 | S56-A60 VanDerWaalsContact O-CB 3.31Å; S56-A60 WeakPolarHBondContact O-CB 3.42Å; S56-A60 PolarHBondContact O-N 3.46Å; A60-R64 VanDerWaalsContact O-CG 3.31Å; A60-R64 WeakPolarHBondContact O-CG 3.27Å; A60-R64 PolarHBondContact O-N 3.47Å |
| 61 | S | 93.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 102.4 Ų | 102.4 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.9 | -43.9 | 175.8 | -56 | 0 | 0 | 0 | 0 | 112 | Q57 S58 E59 L63 R64 Q65 | Q57-S61 WeakPolarHBondContact O-CB 3.33Å; Q57-S61 PolarHBondContact O-N 2.85Å; Q57-S61 PolarHBondContact O-OG 3.26Å; S58-S61 PolarHBondContact O-N 3.34Å; E59-S61 PolarHBondContact O-N 2.87Å; S61-L63 VanDerWaalsContact C-N 3.29Å; S61-L63 PolarHBondContact O-N 2.8Å; S61-R64 PolarHBondContact O-N 3.36Å; S61-Q65 PolarHBondContact O-N 3.48Å |
| 62 | K | 96.3 | Very high | 93.8 | Very high | 128 Ų | 128 | 104.4 Ų | 104.4 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59 | -40 | 172.4 | -68.4 | 159.1 | -170.3 | 152.8 | 0 | 111.7 | S58 E59 R66 | S58-K62 WeakPolarHBondContact O-CD 3.26Å; S58-K62 VanDerWaalsContact O-CG 3.27Å; S58-K62 WeakPolarHBondContact O-CG 3.27Å; S58-K62 PolarHBondContact O-N 3.03Å; S58-K62 PolarHBondContact OG-NZ 3.4Å; E59-K62 PolarHBondContact O-N 3.48Å; E59-K62 VanDerWaalsContact O-N 3.16Å; K62-R66 WeakPolarHBondContact O-CB 3.4Å; K62-R66 PolarHBondContact O-N 3.42Å |
| 63 | L | 95.6 | Very high | 93.4 | Very high | 99 Ų | 99 | 104 Ų | 104 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 176.9 | -71.8 | 172.3 | 0 | 0 | 0 | 112.2 | E59 S61 R66 V67 | E59-L63 HydrophobicContact CG-CD1 4.27Å; E59-L63 WeakPolarHBondContact O-CB 3.32Å; E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.05Å; S61-L63 VanDerWaalsContact C-N 3.29Å; S61-L63 PolarHBondContact O-N 2.8Å; L63-R66 PolarHBondContact O-N 3.24Å; L63-V67 WeakPolarHBondContact O-CG2 3.48Å; L63-V67 PolarHBondContact O-N 2.65Å |
| 64 | R | 94.7 | Very high | 93.1 | Very high | 160 Ų | 160 | 102.6 Ų | 102.6 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.5 | -49.6 | 172.5 | -72.8 | 172.3 | -141.2 | -78.6 | -0.5 | 111.5 | A60 S61 R66 V67 E68 | A60-R64 VanDerWaalsContact O-CG 3.31Å; A60-R64 WeakPolarHBondContact O-CG 3.27Å; A60-R64 PolarHBondContact O-N 3.47Å; S61-R64 PolarHBondContact O-N 3.36Å; R64-R66 VanDerWaalsContact C-N 3.29Å; R64-R66 PolarHBondContact O-N 3.29Å; R64-V67 WeakPolarHBondContact O-CB 3.28Å; R64-V67 PolarHBondContact O-N 3.21Å; R64-V67 VanDerWaalsContact O-N 3.07Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.02Å |
| 65 | Q | 93.8 | Very high | 92.6 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 176.8 | -177.5 | -176.6 | -13.2 | 0 | 0 | 111.6 | S61 V67 E68 E69 | S61-Q65 PolarHBondContact O-N 3.48Å; Q65-V67 VanDerWaalsContact C-N 3.33Å; Q65-V67 PolarHBondContact O-N 3.03Å; Q65-E68 PolarHBondContact O-N 3.37Å; Q65-E69 PolarHBondContact NE2-OE1 3.15Å; Q65-E69 WeakPolarHBondContact O-CG 3.43Å; Q65-E69 PolarHBondContact O-N 2.87Å |
| 66 | R | 92.7 | Very high | 92.1 | Very high | 170 Ų | 170 | 98.5 Ų | 98.5 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.6 | -34.1 | 177.6 | -164.1 | 179.7 | -173.2 | 109.6 | 1.3 | 112.6 | K62 L63 R64 L70 | K62-R66 WeakPolarHBondContact O-CB 3.4Å; K62-R66 PolarHBondContact O-N 3.42Å; L63-R66 PolarHBondContact O-N 3.24Å; R64-R66 VanDerWaalsContact C-N 3.29Å; R64-R66 PolarHBondContact O-N 3.29Å; R66-L70 WeakPolarHBondContact O-CB 3.28Å; R66-L70 VanDerWaalsContact O-CG 3.25Å; R66-L70 WeakPolarHBondContact O-CG 3.42Å; R66-L70 PolarHBondContact O-N 3.42Å |
| 67 | V | 95.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 101 Ų | 101 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 172.1 | 170 | 0 | 0 | 0 | 0 | 110.8 | L63 R64 Q65 E69 L70 V71 | L63-V67 WeakPolarHBondContact O-CG2 3.48Å; L63-V67 PolarHBondContact O-N 2.65Å; R64-V67 WeakPolarHBondContact O-CB 3.28Å; R64-V67 PolarHBondContact O-N 3.21Å; R64-V67 VanDerWaalsContact O-N 3.07Å; Q65-V67 VanDerWaalsContact C-N 3.33Å; Q65-V67 PolarHBondContact O-N 3.03Å; V67-E69 VanDerWaalsContact C-N 3.35Å; V67-E69 PolarHBondContact O-N 2.85Å; V67-L70 PolarHBondContact O-N 3.36Å; V67-V71 HydrophobicContact CG1-CG2 4.39Å; V67-V71 WeakPolarHBondContact O-CB 3.47Å; V67-V71 VanDerWaalsContact O-CG2 3.29Å; V67-V71 WeakPolarHBondContact O-CG2 3.37Å; V67-V71 PolarHBondContact O-N 3.41Å |
| 68 | E | 92.9 | Very high | 90.4 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -34.3 | 175.7 | -69.9 | 166.4 | -161.4 | 0 | 0 | 112.8 | R64 Q65 R72 | R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.02Å; Q65-E68 PolarHBondContact O-N 3.37Å; E68-R72 WeakPolarHBondContact O-CB 3.5Å; E68-R72 WeakPolarHBondContact O-CG 3.38Å; E68-R72 PolarHBondContact O-N 3.38Å; E68-R72 VanDerWaalsContact O-N 3.08Å; E68-R72 PolarHBondContact O-NE 2.97Å |
| 69 | E | 91.8 | Very high | 89.6 | Confident | 70 Ų | 70 | 100.7 Ų | 100.7 | 33% | 0.327 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -52.3 | 168.8 | -76.8 | 166.8 | -172 | 0 | 0 | 111 | Q65 V67 V71 R72 D73 | Q65-E69 PolarHBondContact NE2-OE1 3.15Å; Q65-E69 WeakPolarHBondContact O-CG 3.43Å; Q65-E69 PolarHBondContact O-N 2.87Å; V67-E69 VanDerWaalsContact C-N 3.35Å; V67-E69 PolarHBondContact O-N 2.85Å; E69-V71 VanDerWaalsContact C-N 3.29Å; E69-V71 PolarHBondContact O-N 2.84Å; E69-R72 PolarHBondContact O-N 2.9Å; E69-R72 VanDerWaalsContact O-N 3.13Å; E69-D73 PolarHBondContact O-N 2.96Å |
| 70 | L | 92.1 | Very high | 88.3 | Confident | 104 Ų | 104 | 98 Ų | 98 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -32.8 | 178.4 | -72.3 | 169.9 | 0 | 0 | 0 | 113.4 | R66 V67 N74 | R66-L70 WeakPolarHBondContact O-CB 3.28Å; R66-L70 VanDerWaalsContact O-CG 3.25Å; R66-L70 WeakPolarHBondContact O-CG 3.42Å; R66-L70 PolarHBondContact O-N 3.42Å; V67-L70 PolarHBondContact O-N 3.36Å; L70-N74 VanDerWaalsContact O-CB 3.24Å; L70-N74 WeakPolarHBondContact O-CB 3.28Å; L70-N74 PolarHBondContact O-N 2.92Å |
| 71 | V | 92.4 | Very high | 87.1 | Confident | 76 Ų | 76 | 100.1 Ų | 100.1 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -46.1 | 173.3 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | V67 E69 D73 N74 E75 | V67-V71 HydrophobicContact CG1-CG2 4.39Å; V67-V71 WeakPolarHBondContact O-CB 3.47Å; V67-V71 VanDerWaalsContact O-CG2 3.29Å; V67-V71 WeakPolarHBondContact O-CG2 3.37Å; V67-V71 PolarHBondContact O-N 3.41Å; E69-V71 VanDerWaalsContact C-N 3.29Å; E69-V71 PolarHBondContact O-N 2.84Å; V71-D73 PolarHBondContact O-N 3.48Å; V71-N74 WeakPolarHBondContact O-CB 3.42Å; V71-N74 PolarHBondContact O-N 3.09Å; V71-E75 PolarHBondContact O-N 3.26Å |
| 72 | R | 91.4 | Very high | 85.4 | Confident | 146 Ų | 146 | 104.5 Ų | 104.5 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 175.5 | -76.5 | -177.9 | -68.7 | 150.8 | -7.1 | 112.2 | E68 E69 N74 E75 A76 | E68-R72 WeakPolarHBondContact O-CB 3.5Å; E68-R72 WeakPolarHBondContact O-CG 3.38Å; E68-R72 PolarHBondContact O-N 3.38Å; E68-R72 VanDerWaalsContact O-N 3.08Å; E68-R72 PolarHBondContact O-NE 2.97Å; E69-R72 PolarHBondContact O-N 2.9Å; E69-R72 VanDerWaalsContact O-N 3.13Å; R72-N74 VanDerWaalsContact C-N 3.32Å; R72-N74 PolarHBondContact O-N 3.19Å; R72-E75 PolarHBondContact O-N 3.19Å; R72-A76 WeakPolarHBondContact O-CB 3.33Å; R72-A76 PolarHBondContact O-N 3.43Å |
| 73 | D | 88.6 | Confident | 83.5 | Confident | 96 Ų | 96 | 101.1 Ų | 101.1 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 175.4 | -69.9 | -15.1 | 0 | 0 | 0 | 111.2 | E69 V71 A76 L77 | E69-D73 PolarHBondContact O-N 2.96Å; V71-D73 PolarHBondContact O-N 3.48Å; D73-A76 PolarHBondContact O-N 3.39Å; D73-L77 WeakPolarHBondContact O-CB 3.39Å; D73-L77 VanDerWaalsContact O-CG 3.23Å; D73-L77 WeakPolarHBondContact O-CG 3.27Å; D73-L77 PolarHBondContact O-N 2.95Å |
| 74 | N | 88 | Confident | 81.4 | Confident | 78 Ų | 78 | 99.3 Ų | 99.3 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 175.9 | -163.3 | -96.7 | 0 | 0 | 0 | 112.4 | L70 V71 R72 K78 | L70-N74 VanDerWaalsContact O-CB 3.24Å; L70-N74 WeakPolarHBondContact O-CB 3.28Å; L70-N74 PolarHBondContact O-N 2.92Å; V71-N74 WeakPolarHBondContact O-CB 3.42Å; V71-N74 PolarHBondContact O-N 3.09Å; R72-N74 VanDerWaalsContact C-N 3.32Å; R72-N74 PolarHBondContact O-N 3.19Å; N74-K78 WeakPolarHBondContact O-CB 3.47Å; N74-K78 WeakPolarHBondContact O-CD 3.45Å; N74-K78 VanDerWaalsContact O-CG 3.27Å; N74-K78 WeakPolarHBondContact O-CG 3.4Å; N74-K78 PolarHBondContact O-N 2.98Å; N74-K78 WeakPolarHBondContact OD1-CE 3.42Å; N74-K78 PolarHBondContact OD1-NZ 3.1Å |
| 75 | E | 86.3 | Confident | 79.3 | Confident | 117 Ų | 117 | 96.1 Ų | 96.1 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -38 | 172.7 | -73.1 | -171 | 155.2 | 0 | 0 | 112.3 | V71 R72 K78 S79 | V71-E75 PolarHBondContact O-N 3.26Å; R72-E75 PolarHBondContact O-N 3.19Å; E75-K78 PolarHBondContact O-N 3.07Å; E75-S79 VanDerWaalsContact O-CB 3.3Å; E75-S79 WeakPolarHBondContact O-CB 3.43Å; E75-S79 PolarHBondContact O-N 3.39Å; E75-S79 PolarHBondContact O-OG 3.3Å |
| 76 | A | 79.3 | Confident | 77.3 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | R72 D73 S79 A80 | R72-A76 WeakPolarHBondContact O-CB 3.33Å; R72-A76 PolarHBondContact O-N 3.43Å; D73-A76 PolarHBondContact O-N 3.39Å; A76-S79 PolarHBondContact O-N 2.96Å; A76-A80 WeakPolarHBondContact O-CB 3.47Å; A76-A80 PolarHBondContact O-N 2.86Å |
| 77 | L | 76.5 | Confident | 75.2 | Confident | 122 Ų | 122 | 96 Ų | 96 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 174.9 | -73.7 | 168.5 | 0 | 0 | 0 | 112.2 | D73 A80 S81 | D73-L77 WeakPolarHBondContact O-CB 3.39Å; D73-L77 VanDerWaalsContact O-CG 3.23Å; D73-L77 WeakPolarHBondContact O-CG 3.27Å; D73-L77 PolarHBondContact O-N 2.95Å; L77-A80 PolarHBondContact O-N 3.32Å; L77-S81 WeakPolarHBondContact O-CB 3.5Å; L77-S81 PolarHBondContact O-N 3.33Å |
| 78 | K | 76 | Confident | 72.7 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 170.5 | -79.6 | 165 | 173 | 158.2 | 0 | 111.2 | N74 E75 A80 S81 Y82 | N74-K78 WeakPolarHBondContact O-CB 3.47Å; N74-K78 WeakPolarHBondContact O-CD 3.45Å; N74-K78 VanDerWaalsContact O-CG 3.27Å; N74-K78 WeakPolarHBondContact O-CG 3.4Å; N74-K78 PolarHBondContact O-N 2.98Å; N74-K78 WeakPolarHBondContact OD1-CE 3.42Å; N74-K78 PolarHBondContact OD1-NZ 3.1Å; E75-K78 PolarHBondContact O-N 3.07Å; K78-A80 VanDerWaalsContact C-N 3.34Å; K78-A80 PolarHBondContact O-N 2.87Å; K78-S81 CarbonylContact O-C 3.6Å; K78-S81 WeakPolarHBondContact O-CA 3.46Å; K78-S81 WeakPolarHBondContact O-CB 3.39Å; K78-S81 PolarHBondContact O-N 2.92Å; K78-Y82 HydrophobicContact CB-CE2 3.84Å; K78-Y82 WeakPolarHBondContact O-CD2 3.36Å; K78-Y82 WeakPolarHBondContact O-CE2 3.45Å; K78-Y82 VanDerWaalsContact O-CG 3.32Å; K78-Y82 PolarHBondContact O-N 3.2Å |
| 79 | S | 75.6 | Confident | 69.9 | Low | 74 Ų | 74 | 93.7 Ų | 93.7 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -41.8 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | E75 A76 Y82 A83 | E75-S79 VanDerWaalsContact O-CB 3.3Å; E75-S79 WeakPolarHBondContact O-CB 3.43Å; E75-S79 PolarHBondContact O-N 3.39Å; E75-S79 PolarHBondContact O-OG 3.3Å; A76-S79 PolarHBondContact O-N 2.96Å; S79-Y82 PolarHBondContact O-N 2.87Å; S79-A83 WeakPolarHBondContact O-CB 3.14Å; S79-A83 PolarHBondContact O-N 3.35Å |
| 80 | A | 67.9 | Low | 67.1 | Low | 58 Ų | 58 | 95 Ų | 95 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -35.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A76 L77 K78 A83 A84 | A76-A80 WeakPolarHBondContact O-CB 3.47Å; A76-A80 PolarHBondContact O-N 2.86Å; L77-A80 PolarHBondContact O-N 3.32Å; K78-A80 VanDerWaalsContact C-N 3.34Å; K78-A80 PolarHBondContact O-N 2.87Å; A80-A83 PolarHBondContact O-N 2.72Å; A80-A84 VanDerWaalsContact O-CB 3.27Å; A80-A84 WeakPolarHBondContact O-CB 3.12Å; A80-A84 PolarHBondContact O-N 2.83Å |
| 81 | S | 68.4 | Low | 64.7 | Low | 74 Ų | 74 | 95.9 Ų | 95.9 | 52% | 0.517 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.4 | -42.3 | 175.2 | -178 | 0 | 0 | 0 | 0 | 112.4 | L77 K78 A84 S85 | L77-S81 WeakPolarHBondContact O-CB 3.5Å; L77-S81 PolarHBondContact O-N 3.33Å; K78-S81 CarbonylContact O-C 3.6Å; K78-S81 WeakPolarHBondContact O-CA 3.46Å; K78-S81 WeakPolarHBondContact O-CB 3.39Å; K78-S81 PolarHBondContact O-N 2.92Å; S81-A84 PolarHBondContact O-N 3.29Å; S81-S85 WeakPolarHBondContact O-CB 3.46Å; S81-S85 PolarHBondContact O-N 3.05Å |
| 82 | Y | 57.3 | Low | 61.8 | Low | 156 Ų | 156 | 99.1 Ų | 99.1 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.3 | -40 | 173.6 | -55.3 | -50.2 | 0 | 0 | 0 | 111.7 | K78 S79 S85 L86 | K78-Y82 HydrophobicContact CB-CE2 3.84Å; K78-Y82 WeakPolarHBondContact O-CD2 3.36Å; K78-Y82 WeakPolarHBondContact O-CE2 3.45Å; K78-Y82 VanDerWaalsContact O-CG 3.32Å; K78-Y82 PolarHBondContact O-N 3.2Å; S79-Y82 PolarHBondContact O-N 2.87Å; Y82-S85 PolarHBondContact O-N 3.44Å; Y82-L86 PolarHBondContact O-N 2.93Å |
| 83 | A | 56.5 | Low | 58.9 | Low | 56 Ų | 56 | 100.2 Ų | 100.2 | 46% | 0.463 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.7 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S79 A80 L86 | S79-A83 WeakPolarHBondContact O-CB 3.14Å; S79-A83 PolarHBondContact O-N 3.35Å; A80-A83 PolarHBondContact O-N 2.72Å; A83-L86 PolarHBondContact O-N 3.42Å |
| 84 | A | 52.3 | Low | 56.1 | Low | 61 Ų | 61 | 102.6 Ų | 102.6 | 50% | 0.504 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.9 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A80 S81 L86 C87 | A80-A84 VanDerWaalsContact O-CB 3.27Å; A80-A84 WeakPolarHBondContact O-CB 3.12Å; A80-A84 PolarHBondContact O-N 2.83Å; S81-A84 PolarHBondContact O-N 3.29Å; A84-L86 PolarHBondContact O-N 2.88Å; A84-C87 PolarHBondContact O-N 2.92Å; A84-C87 VanDerWaalsContact O-N 3.09Å |
| 85 | S | 49.1 | Very low | 53.4 | Low | 94 Ų | 94 | 107.7 Ų | 107.7 | 66% | 0.657 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.7 | -19.7 | 177.4 | -169.7 | 0 | 0 | 0 | 0 | 113.8 | S81 Y82 | S81-S85 WeakPolarHBondContact O-CB 3.46Å; S81-S85 PolarHBondContact O-N 3.05Å; Y82-S85 PolarHBondContact O-N 3.44Å |
| 86 | L | 52 | Low | 50.6 | Low | 155 Ų | 155 | 106.9 Ų | 106.9 | 81% | 0.812 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -14.3 | 174.5 | -78.5 | 162.3 | 0 | 0 | 0 | 113.3 | Y82 A83 A84 | Y82-L86 PolarHBondContact O-N 2.93Å; A83-L86 PolarHBondContact O-N 3.42Å; A84-L86 PolarHBondContact O-N 2.88Å |
| 87 | C | 49.1 | Very low | 48.4 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -106.6 | 0.9 | -175.1 | -69.9 | 0 | 0 | 0 | 0 | 114.5 | A84 | A84-C87 PolarHBondContact O-N 2.92Å; A84-C87 VanDerWaalsContact O-N 3.09Å |
| 88 | A | 43.7 | Very low | 46.2 | Very low | 82 Ų | 82 | 113.5 Ų | 113.5 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -136.7 | 95.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 89 | G | 33.9 | Very low | 44.3 | Very low | 75 Ų | 75 | 118.4 Ų | 118.4 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | 102.6 | 90.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 90 | A | 32.4 | Very low | 42.6 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | 52.3 | 149.2 | 129.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 91 | P | 42.2 | Very low | 40.6 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -89.9 | 151.2 | -163.7 | 36.2 | -36.1 | 0 | 0 | 0 | 114.6 | ||||
| 92 | V | 31.8 | Very low | 38.6 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -122.9 | 136 | 160.6 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 93 | H | 29.7 | Very low | 37.1 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | trans | -62 | 146.6 | -173.3 | -80.5 | -113.3 | 0 | 0 | 0 | 114.5 | ||||
| 94 | T | 30.5 | Very low | 36.3 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -149.2 | 146.5 | 130.2 | 6.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 95 | E | 30 | Very low | 35.1 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -90.1 | 144.1 | -166.5 | -59.7 | 163.8 | 103.7 | 0 | 0 | 113 | ||||
| 96 | A | 29.3 | Very low | 34 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | -168.2 | 138.5 | 129 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 97 | Q | 31.9 | Very low | 32.8 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -33.1 | 139.4 | 172.9 | -60.9 | 165.5 | -11 | 0 | 0 | 115.1 | ||||
| 98 | S | 29.8 | Very low | 31.8 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | -165.9 | 171.9 | 64.2 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 99 | K | 36.1 | Very low | 31 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -126.8 | 176.2 | -170 | -116.7 | -178.9 | -177.6 | 178.4 | 0 | 109.9 | ||||
| 100 | P | 41.1 | Very low | 30.6 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 64% | 0.643 | 82% | 0.815 | S | S | * | * | cis | -141.5 | 176.1 | -10 | 39.2 | -20.4 | 0 | 0 | 0 | 117.1 | ||||
| 101 | C | 26.5 | Very low | 30.4 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | 71.4 | 143.7 | 145.2 | -78.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 102 | L | 25.8 | Very low | 29.7 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | cis | -152.2 | 157.6 | 9.1 | -105.3 | 154.4 | 0 | 0 | 0 | 112.2 | ||||
| 103 | H | 25 | Very low | 29.4 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -92.8 | 162.2 | 165.5 | -124.4 | -90.8 | 0 | 0 | 0 | 109.9 | T105 | H103-T105 PolarHBondContact ND1-N 2.87Å; H103-T105 VanDerWaalsContact ND1-N 3.15Å | ||
| 104 | P | 40 | Very low | 29.2 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | -142.1 | 136.5 | 74.2 | 23.1 | 0.5 | 0 | 0 | 0 | 115.3 | |||||
| 105 | T | 26.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 69% | 0.693 | 81% | 0.81 | S | S | * | * | 42.2 | 116.8 | 95.6 | 52.9 | 0 | 0 | 0 | 0 | 118.4 | H103 | H103-T105 PolarHBondContact ND1-N 2.87Å; H103-T105 VanDerWaalsContact ND1-N 3.15Å | |||
| 106 | A | 26.2 | Very low | 28.8 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -161.9 | 157.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 107 | E | 27.8 | Very low | 28.7 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -111.4 | 167.4 | -169.2 | -54 | 166.8 | 136.4 | 0 | 0 | 113.6 | ||||
| 108 | K | 27.2 | Very low | 28.6 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 132.6 | 131.5 | 155 | -77 | -178.3 | 170.1 | -170.7 | 0 | 112.2 | ||||
| 109 | E | 26.5 | Very low | 28.4 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | cis | 87.1 | 141.6 | 36.5 | -155.7 | 178.3 | -142.6 | 0 | 0 | 114 | ||||
| 110 | E | 25.8 | Very low | 28 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | 71.5 | 123.9 | -176 | -57.3 | -171.3 | 129 | 0 | 0 | 116.2 | ||||
| 111 | Q | 29.2 | Very low | 27.8 | Very low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | cis | 90.3 | 150.3 | 43.1 | -73.1 | -163.9 | 17.8 | 0 | 0 | 115.3 | ||||
| 112 | S | 27.3 | Very low | 27.6 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 88 | 126.7 | -176.5 | 78.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 113 | S | 25.3 | Very low | 27.7 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | cis | 106.2 | 88 | 25.9 | 178.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 114 | C | 25.4 | Very low | 28.3 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | 61 | 152.3 | 128.8 | -59.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 115 | L | 28.9 | Very low | 27.7 | Very low | 177 Ų | 177 | 150.3 Ų | 150.3 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | 74.1 | 132 | 169.6 | -44 | 178.2 | 0 | 0 | 0 | 114.5 | ||||
| 116 | G | 24.1 | Very low | 27.5 | Very low | 73 Ų | 73 | 153 Ų | 153 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | cis | 128.9 | 110.8 | 2.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 117 | R | 26.7 | Very low | 27.4 | Very low | 255 Ų | 255 | 152.1 Ų | 152.1 | 96% | 0.962 | 80% | 0.8 | S | S | * | * | trans | -151 | 128.4 | 164.5 | -130.5 | 177.3 | -168.6 | -142.9 | 1 | 113.6 | ||||
| 118 | T | 28.4 | Very low | 27.3 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -81.3 | 149.4 | 178.6 | -41.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 119 | L | 27.1 | Very low | 27.5 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | 153.7 | 116.4 | 124.7 | -79.5 | 168 | 0 | 0 | 0 | 113.4 | |||||
| 120 | Q | 26.8 | Very low | 27.4 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -71.8 | 175.2 | 146.9 | -76.6 | -80.3 | 13.5 | 0 | 0 | 109 | ||||
| 121 | P | 37.9 | Very low | 27.4 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | cis | -140.3 | 173.6 | 16.7 | 41.1 | -22 | 0 | 0 | 0 | 117.1 | ||||
| 122 | E | 22.2 | Very low | 27.3 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | 175.3 | 157 | 118.3 | -96.3 | -160.2 | 127.6 | 0 | 0 | 115.2 | |||||
| 123 | K | 27.6 | Very low | 27.4 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -155 | 150.8 | 166.8 | -107 | -169.5 | 179.4 | -173.5 | 0 | 104.4 | ||||
| 124 | P | 38.3 | Very low | 27.4 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | -158.2 | -171.2 | 69.3 | 30.4 | -3 | 0 | 0 | 0 | 117.7 | |||||
| 125 | H | 25.6 | Very low | 27.4 | Very low | 164 Ų | 164 | 153 Ų | 153 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 69.8 | 150.5 | 167.3 | -64.2 | -77.6 | 0 | 0 | 0 | 118.4 | ||||
| 126 | E | 24.2 | Very low | 27.5 | Very low | 169 Ų | 169 | 151 Ų | 151 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | cis | -152.6 | 174 | -1.4 | -138.2 | 176.1 | -162.2 | 0 | 0 | 113.4 | ||||
| 127 | A | 24.1 | Very low | 27.9 | Very low | 88 Ų | 88 | 155.4 Ų | 155.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 13.9 | 158.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 128 | L | 24.2 | Very low | 28.3 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | cis | -172.7 | 168.6 | -13.4 | 176.3 | 74.7 | 0 | 0 | 0 | 105.8 | ||||
| 129 | L | 32.2 | Very low | 28.4 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | 98.1 | 147 | 164.1 | -57.2 | 168.9 | 0 | 0 | 0 | 115.1 | ||||
| 130 | E | 23.6 | Very low | 28.5 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | 169.8 | 123.7 | -18.4 | 171.6 | 171.5 | -114 | 0 | 0 | 103.2 | ||||
| 131 | S | 26.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -166.8 | 80.4 | 164.4 | -86.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 132 | E | 27 | Very low | 28.4 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -38.8 | 129.3 | 153.5 | -179.6 | 177.4 | -144.8 | 0 | 0 | 112.6 | V134 | E132-V134 HydrophobicContact CG-CG2 4.25Š| ||
| 133 | R | 29.6 | Very low | 28.7 | Very low | 246 Ų | 246 | 144 Ų | 144 | 93% | 0.928 | 76% | 0.763 | S | S | * | * | trans | -139.3 | 112.2 | 147.8 | -168.6 | 171.9 | -73.3 | -149.9 | 0.2 | 110.4 | ||||
| 134 | V | 25 | Very low | 28.8 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 60% | 0.6 | 77% | 0.768 | S | S | * | * | trans | -58.9 | 136.1 | 178 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | E132 M136 | E132-V134 HydrophobicContact CG-CG2 4.25Å; V134-M136 HydrophobicContact CG1-CG 3.95Å | ||
| 135 | N | 26.5 | Very low | 28.5 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -137.7 | 128.5 | 134.6 | -164.8 | 35.7 | 0 | 0 | 0 | 109.5 | ||||
| 136 | M | 30.1 | Very low | 28.9 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | -106.4 | 178.8 | -179 | -82.4 | -75.7 | -154.8 | 0 | 0 | 110.6 | V134 | V134-M136 HydrophobicContact CG1-CG 3.95Š| ||
| 137 | E | 33.7 | Very low | 29.1 | Very low | 165 Ų | 165 | 136 Ų | 136 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | 64.6 | 126.6 | 175.3 | -89.1 | 63.6 | -122 | 0 | 0 | 116.6 | ||||
| 138 | G | 33.6 | Very low | 29.8 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | -142.1 | 144.2 | -7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 139 | R | 32.2 | Very low | 30 | Very low | 215 Ų | 215 | 139.1 Ų | 139.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | 56.2 | 130.2 | 70.3 | -83.4 | -161.2 | 143.2 | 177.9 | -1.9 | 113.3 | |||||
| 140 | N | 29.2 | Very low | 30.4 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 66% | 0.658 | 79% | 0.791 | S | S | * | * | cis | -169.2 | 163.7 | -11 | -125.2 | 21.7 | 0 | 0 | 0 | 109.7 | ||||
| 141 | S | 29.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 125.3 | 90.6 | 140.2 | -61.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 142 | D | 32 | Very low | 31.2 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -62.6 | 179.8 | 161.6 | -55.2 | -85.9 | 0 | 0 | 0 | 114.3 | ||||
| 143 | A | 29.1 | Very low | 32.2 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | 105.9 | 98.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 144 | L | 30.3 | Very low | 33 | Very low | 179 Ų | 179 | 124.6 Ų | 124.6 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | trans | 178.5 | 130.9 | 131.9 | -92.7 | 162.5 | 0 | 0 | 0 | 106.6 | ||||
| 145 | A | 30.6 | Very low | 34.2 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -150.3 | 157.2 | -5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 146 | A | 35.1 | Very low | 35.4 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | trans | -90.2 | 157.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 147 | G | 28.1 | Very low | 36.7 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -165.2 | 99.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 148 | L | 37.8 | Very low | 37.8 | Very low | 161 Ų | 161 | 121 Ų | 121 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -60.1 | 152.4 | 179.8 | -78 | 128 | 0 | 0 | 0 | 112.1 | ||||
| 149 | V | 29.5 | Very low | 39.2 | Very low | 146 Ų | 146 | 121.1 Ų | 121.1 | 89% | 0.885 | 74% | 0.744 | S | S | * | * | -138.6 | 143.5 | 71 | 172.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 150 | A | 41 | Very low | 40.9 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | -72.6 | 138.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 151 | G | 29.1 | Very low | 42.9 | Very low | 74 Ų | 74 | 115.8 Ų | 115.8 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | trans | -160.8 | 60.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 152 | A | 35.4 | Very low | 45.3 | Very low | 91 Ų | 91 | 114.7 Ų | 114.7 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | 53.3 | 83.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 153 | L | 48.5 | Very low | 47.6 | Very low | 172 Ų | 172 | 109.7 Ų | 109.7 | 90% | 0.901 | 69% | 0.687 | S | S | * | * | trans | -130.7 | 90.9 | 149.2 | -90.3 | 174.7 | 0 | 0 | 0 | 111.9 | ||||
| 154 | P | 47.8 | Very low | 50.1 | Low | 106 Ų | 106 | 108 Ų | 108 | 69% | 0.688 | 67% | 0.673 | S | S | * | * | trans | -142 | 67.7 | 163.1 | 38.3 | -18.8 | 0 | 0 | 0 | 112.6 | ||||
| 155 | Q | 50.1 | Low | 52.6 | Low | 134 Ų | 134 | 101.9 Ų | 101.9 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | -138 | -31.6 | 173.2 | -85 | -172.8 | -32.1 | 0 | 0 | 115.3 | Q158 E159 | Q155-Q158 PolarHBondContact O-N 2.85Å; Q155-Q158 VanDerWaalsContact O-N 3.13Å; Q155-E159 PolarHBondContact O-N 3.46Å | ||
| 156 | L | 51 | Low | 55 | Low | 130 Ų | 130 | 100.1 Ų | 100.1 | 68% | 0.681 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -56 | -45.4 | -175.3 | -114 | 168 | 0 | 0 | 0 | 114.9 | Q158 | L156-Q158 VanDerWaalsContact C-N 3.3Å; L156-Q158 PolarHBondContact O-N 3.47Å |
| 157 | P | 56.6 | Low | 57.3 | Low | 94 Ų | 94 | 99 Ų | 99 | 61% | 0.61 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67 | -29 | 178.7 | -22.2 | 34.6 | 0 | 0 | 0 | 113.6 | N161 | P157-N161 PolarHBondContact O-N 2.59Å; P157-N161 PolarHBondContact O-ND2 3.47Å |
| 158 | Q | 57.7 | Low | 59.9 | Low | 126 Ų | 126 | 102.5 Ų | 102.5 | 59% | 0.589 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -81.2 | -45.3 | -174.1 | -173.2 | 167.2 | -22.9 | 0 | 0 | 111.8 | Q155 L156 N160 N161 E162 | Q155-Q158 PolarHBondContact O-N 2.85Å; Q155-Q158 VanDerWaalsContact O-N 3.13Å; L156-Q158 VanDerWaalsContact C-N 3.3Å; L156-Q158 PolarHBondContact O-N 3.47Å; Q158-N160 PolarHBondContact O-N 2.83Å; Q158-N161 PolarHBondContact O-N 3.5Å; Q158-E162 WeakPolarHBondContact O-CG 3.27Å; Q158-E162 PolarHBondContact O-N 3.34Å |
| 159 | E | 63.3 | Low | 62 | Low | 69 Ų | 69 | 101.1 Ų | 101.1 | 32% | 0.322 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57 | -34.7 | 174 | -69.9 | -171.2 | 165.1 | 0 | 0 | 111.7 | Q155 L163 R210 | Q155-E159 PolarHBondContact O-N 3.46Å; E159-L163 WeakPolarHBondContact O-CB 3.47Å; E159-L163 PolarHBondContact O-N 3.11Å; E159-R210 IonicContact OE1-CZ 2.69Å; E159-R210 IonicContact OE1-NH1 3.91Å; E159-R210 PolarHBondContact OE1-NH1 3.03Å; E159-R210 IonicContact OE1-NH2 3.02Å; E159-R210 PolarHBondContact OE1-NH2 3.49Å; E159-R210 IonicContact OE2-CZ 3.64Å; E159-R210 IonicContact OE2-NH1 3.98Å; E159-R210 PolarHBondContact OE2-NH1 3.01Å; E159-R210 IonicContact OE2-NH2 2.88Å |
| 160 | N | 66.3 | Low | 64.5 | Low | 106 Ų | 106 | 94.8 Ų | 94.8 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.6 | -39.7 | -178.8 | -137.4 | 20.2 | 0 | 0 | 0 | 112.8 | Q158 L163 A164 | Q158-N160 PolarHBondContact O-N 2.83Å; N160-L163 PolarHBondContact O-N 3.34Å; N160-A164 WeakPolarHBondContact O-CB 3.02Å; N160-A164 PolarHBondContact O-N 3.31Å |
| 161 | N | 72.6 | Confident | 66.4 | Low | 120 Ų | 120 | 96.7 Ų | 96.7 | 64% | 0.642 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.1 | -39.8 | 172.4 | -82.3 | -69.4 | 0 | 0 | 0 | 111.7 | P157 Q158 A164 S165 | P157-N161 PolarHBondContact O-N 2.59Å; P157-N161 PolarHBondContact O-ND2 3.47Å; Q158-N161 PolarHBondContact O-N 3.5Å; N161-A164 PolarHBondContact O-N 2.88Å; N161-S165 WeakPolarHBondContact O-CB 3.37Å; N161-S165 PolarHBondContact O-N 2.83Å |
| 162 | E | 79.3 | Confident | 68.9 | Low | 88 Ų | 88 | 96.4 Ų | 96.4 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 174.1 | -73.2 | 175.4 | -163 | 0 | 0 | 111.9 | Q158 S165 Q166 | Q158-E162 WeakPolarHBondContact O-CG 3.27Å; Q158-E162 PolarHBondContact O-N 3.34Å; E162-S165 PolarHBondContact O-N 3.03Å; E162-S165 PolarHBondContact O-OG 3.26Å; E162-Q166 WeakPolarHBondContact O-CG 3.36Å; E162-Q166 PolarHBondContact O-N 3.24Å |
| 163 | L | 80.7 | Confident | 70.8 | Confident | 46 Ų | 46 | 92.2 Ų | 92.2 | 24% | 0.241 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 176.4 | -170.8 | 72.2 | 0 | 0 | 0 | 111.9 | E159 N160 S165 Q166 L167 L200 K203 | E159-L163 WeakPolarHBondContact O-CB 3.47Å; E159-L163 PolarHBondContact O-N 3.11Å; N160-L163 PolarHBondContact O-N 3.34Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-S165 PolarHBondContact O-N 2.84Å; L163-Q166 PolarHBondContact O-N 3.48Å; L163-Q166 VanDerWaalsContact O-N 3.11Å; L163-L167 HydrophobicContact CG-CD1 4.23Å; L163-L167 PolarHBondContact O-N 3.39Å; L163-L200 HydrophobicContact CD1-CD1 3.58Å; L163-K203 HydrophobicContact CD1-CD 3.91Å |
| 164 | A | 82.1 | Confident | 72 | Confident | 57 Ų | 57 | 88.9 Ų | 88.9 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N160 N161 Q166 L167 K168 | N160-A164 WeakPolarHBondContact O-CB 3.02Å; N160-A164 PolarHBondContact O-N 3.31Å; N161-A164 PolarHBondContact O-N 2.88Å; A164-Q166 VanDerWaalsContact C-N 3.29Å; A164-Q166 PolarHBondContact O-N 2.71Å; A164-L167 PolarHBondContact O-N 3.23Å; A164-K168 VanDerWaalsContact O-CB 3.31Å; A164-K168 WeakPolarHBondContact O-CB 3.34Å; A164-K168 PolarHBondContact O-N 3.31Å |
| 165 | S | 82.1 | Confident | 73.1 | Confident | 51 Ų | 51 | 88.3 Ų | 88.3 | 36% | 0.357 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.2 | -24.3 | 175.3 | 87.9 | 0 | 0 | 0 | 0 | 114.1 | N161 E162 L163 R169 | N161-S165 WeakPolarHBondContact O-CB 3.37Å; N161-S165 PolarHBondContact O-N 2.83Å; E162-S165 PolarHBondContact O-N 3.03Å; E162-S165 PolarHBondContact O-OG 3.26Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-S165 PolarHBondContact O-N 2.84Å; S165-R169 WeakPolarHBondContact O-CB 3.24Å; S165-R169 PolarHBondContact O-N 2.92Å |
| 166 | Q | 80.1 | Confident | 73.8 | Confident | 55 Ų | 55 | 85.1 Ų | 85.1 | 26% | 0.257 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -83 | -44.8 | 175.4 | -75.3 | 177.6 | -30.5 | 0 | 0 | 110.7 | E162 L163 A164 K168 R169 L170 H199 | E162-Q166 WeakPolarHBondContact O-CG 3.36Å; E162-Q166 PolarHBondContact O-N 3.24Å; L163-Q166 PolarHBondContact O-N 3.48Å; L163-Q166 VanDerWaalsContact O-N 3.11Å; A164-Q166 VanDerWaalsContact C-N 3.29Å; A164-Q166 PolarHBondContact O-N 2.71Å; Q166-K168 VanDerWaalsContact C-N 3.35Å; Q166-K168 PolarHBondContact O-N 2.96Å; Q166-R169 WeakPolarHBondContact O-CB 3.46Å; Q166-R169 PolarHBondContact O-N 2.94Å; Q166-R169 VanDerWaalsContact O-N 3.11Å; Q166-L170 PolarHBondContact O-N 3.22Å; Q166-H199 PolarHBondContact NE2-CD2 3.32Å; Q166-H199 PolarHBondContact NE2-NE2 3.49Å |
| 167 | L | 84 | Confident | 74.2 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 173.8 | -77.2 | 164.1 | 0 | 0 | 0 | 111.8 | L163 A164 R169 L170 E171 L200 | L163-L167 HydrophobicContact CG-CD1 4.23Å; L163-L167 PolarHBondContact O-N 3.39Å; A164-L167 PolarHBondContact O-N 3.23Å; L167-R169 VanDerWaalsContact C-N 3.26Å; L167-R169 PolarHBondContact O-N 3.35Å; L167-L170 PolarHBondContact O-N 2.87Å; L167-E171 WeakPolarHBondContact O-CB 3.4Å; L167-E171 PolarHBondContact O-N 3.18Å; L167-L200 HydrophobicContact CD2-CD2 3.97Å |
| 168 | K | 83.9 | Confident | 74.1 | Confident | 151 Ų | 151 | 83.2 Ų | 83.2 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.1 | -28.4 | 176 | -169 | 171.4 | -174.7 | 174.7 | 0 | 113.3 | A164 Q166 S172 | A164-K168 VanDerWaalsContact O-CB 3.31Å; A164-K168 WeakPolarHBondContact O-CB 3.34Å; A164-K168 PolarHBondContact O-N 3.31Å; Q166-K168 VanDerWaalsContact C-N 3.35Å; Q166-K168 PolarHBondContact O-N 2.96Å; K168-S172 WeakPolarHBondContact O-CB 3.4Å; K168-S172 PolarHBondContact O-N 3.45Å; K168-S172 PolarHBondContact O-OG 2.95Å |
| 169 | R | 81.6 | Confident | 74.2 | Confident | 133 Ų | 133 | 85.4 Ų | 85.4 | 50% | 0.502 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.7 | -45.9 | 174.7 | -143.6 | 176.2 | -54.5 | -137.5 | 1.5 | 110.7 | S165 Q166 L167 S172 S173 | S165-R169 WeakPolarHBondContact O-CB 3.24Å; S165-R169 PolarHBondContact O-N 2.92Å; Q166-R169 WeakPolarHBondContact O-CB 3.46Å; Q166-R169 PolarHBondContact O-N 2.94Å; Q166-R169 VanDerWaalsContact O-N 3.11Å; L167-R169 VanDerWaalsContact C-N 3.26Å; L167-R169 PolarHBondContact O-N 3.35Å; R169-S172 PolarHBondContact O-N 2.84Å; R169-S172 PolarHBondContact O-OG 3.38Å; R169-S173 PolarHBondContact O-N 3.29Å |
| 170 | L | 80.9 | Confident | 74.1 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.4 | -168.8 | 69.2 | 0 | 0 | 0 | 111.1 | Q166 L167 S172 S173 F174 M193 E196 F197 L200 | Q166-L170 PolarHBondContact O-N 3.22Å; L167-L170 PolarHBondContact O-N 2.87Å; L170-S172 PolarHBondContact O-N 3.3Å; L170-S173 WeakPolarHBondContact CA-OG 3.38Å; L170-S173 PolarHBondContact O-N 2.99Å; L170-S173 VanDerWaalsContact O-N 3.13Å; L170-S173 PolarHBondContact O-OG 3.49Å; L170-F174 HydrophobicContact CD1-CE2 4.35Å; L170-F174 HydrophobicContact CD2-CE2 4.3Å; L170-F174 HydrophobicContact CG-CD2 4.47Å; L170-F174 HydrophobicContact CG-CE2 3.79Å; L170-F174 HydrophobicContact CG-CZ 4.44Å; L170-F174 WeakPolarHBondContact O-CD2 3.19Å; L170-F174 PolarHBondContact O-N 3.32Å; L170-F174 VanDerWaalsContact O-N 3.09Å; L170-M193 HydrophobicContact CD1-CG 4.42Å; L170-E196 HydrophobicContact CD1-CB 4.05Å; L170-F197 HydrophobicContact CD1-CD2 4.39Å; L170-F197 HydrophobicContact CD1-CE2 4.32Å; L170-F197 HydrophobicContact CD2-CD1 4.33Å; L170-F197 HydrophobicContact CD2-CE1 4.04Å; L170-F197 HydrophobicContact CD2-CZ 4.28Å; L170-L200 HydrophobicContact CD2-CD2 4.32Å |
| 171 | E | 82.1 | Confident | 73.8 | Confident | 132 Ų | 132 | 85.4 Ų | 85.4 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -57.3 | -47 | 171.3 | -174.6 | 179.9 | -157.1 | 0 | 0 | 111.7 | L167 S173 F174 S175 | L167-E171 WeakPolarHBondContact O-CB 3.4Å; L167-E171 PolarHBondContact O-N 3.18Å; E171-S173 VanDerWaalsContact C-N 3.28Å; E171-S173 PolarHBondContact O-N 3.47Å; E171-F174 PolarHBondContact O-N 2.72Å; E171-S175 PolarHBondContact O-N 3.38Å |
| 172 | S | 79.9 | Confident | 74.1 | Confident | 67 Ų | 67 | 82.7 Ų | 82.7 | 47% | 0.469 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65 | -29.8 | 175.4 | 71.4 | 0 | 0 | 0 | 0 | 113.5 | K168 R169 L170 S175 | K168-S172 WeakPolarHBondContact O-CB 3.4Å; K168-S172 PolarHBondContact O-N 3.45Å; K168-S172 PolarHBondContact O-OG 2.95Å; R169-S172 PolarHBondContact O-N 2.84Å; R169-S172 PolarHBondContact O-OG 3.38Å; L170-S172 PolarHBondContact O-N 3.3Å; S172-S175 PolarHBondContact O-N 2.87Å |
| 173 | S | 75.3 | Confident | 74 | Confident | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.021 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -70.4 | -34.1 | 175 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | R169 L170 E171 S175 I176 H189 M193 | R169-S173 PolarHBondContact O-N 3.29Å; L170-S173 WeakPolarHBondContact CA-OG 3.38Å; L170-S173 PolarHBondContact O-N 2.99Å; L170-S173 VanDerWaalsContact O-N 3.13Å; L170-S173 PolarHBondContact O-OG 3.49Å; E171-S173 VanDerWaalsContact C-N 3.28Å; E171-S173 PolarHBondContact O-N 3.47Å; S173-S175 PolarHBondContact O-N 2.84Å; S173-I176 PolarHBondContact O-N 3.13Å; S173-H189 VanDerWaalsContact CA-NE2 3.26Å; S173-H189 WeakPolarHBondContact CA-NE2 3.07Å; S173-H189 WeakPolarHBondContact CB-NE2 3.42Å; S173-M193 WeakPolarHBondContact OG-CG 3.5Å |
| 174 | F | 74.9 | Confident | 74 | Confident | 102 Ų | 102 | 86.6 Ų | 86.6 | 45% | 0.447 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -26.8 | 172.9 | -72.2 | -60.4 | 0 | 0 | 0 | 113.6 | L170 E171 I176 F177 M193 F197 | L170-F174 HydrophobicContact CD1-CE2 4.35Å; L170-F174 HydrophobicContact CD2-CE2 4.3Å; L170-F174 HydrophobicContact CG-CD2 4.47Å; L170-F174 HydrophobicContact CG-CE2 3.79Å; L170-F174 HydrophobicContact CG-CZ 4.44Å; L170-F174 WeakPolarHBondContact O-CD2 3.19Å; L170-F174 PolarHBondContact O-N 3.32Å; L170-F174 VanDerWaalsContact O-N 3.09Å; E171-F174 PolarHBondContact O-N 2.72Å; F174-I176 VanDerWaalsContact C-N 3.25Å; F174-I176 PolarHBondContact O-N 3.48Å; F174-F177 HydrophobicContact CD1-CE2 4.37Å; F174-M193 HydrophobicContact CD1-CE 4Å; F174-M193 HydrophobicContact CE1-CE 3.44Å; F174-M193 VanDerWaalsContact CE1-CE 3.44Å; F174-M193 HydrophobicContact CZ-CE 4.07Å; F174-F197 HydrophobicContact CE2-CZ 4.45Å; F174-F197 AromaticContact CZ-CE2 3.92Å; F174-F197 HydrophobicContact CZ-CE2 3.92Å; F174-F197 AromaticContact CZ-CZ 3.72Å; F174-F197 HydrophobicContact CZ-CZ 3.72Å |
| 175 | S | 70.1 | Confident | 74.1 | Confident | 95 Ų | 95 | 89 Ų | 89 | 66% | 0.664 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -72.4 | -14.7 | 179.4 | -164.2 | 0 | 0 | 0 | 0 | 114.1 | E171 S172 S173 | E171-S175 PolarHBondContact O-N 3.38Å; S172-S175 PolarHBondContact O-N 2.87Å; S173-S175 PolarHBondContact O-N 2.84Å |
| 176 | I | 64.3 | Low | 74.1 | Confident | 67 Ų | 67 | 89.8 Ų | 89.8 | 34% | 0.344 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -83.7 | -18.2 | -173.6 | -66.3 | 169.4 | 0 | 0 | 0 | 112.4 | S173 F174 A178 E179 E180 | S173-I176 PolarHBondContact O-N 3.13Å; F174-I176 VanDerWaalsContact C-N 3.25Å; F174-I176 PolarHBondContact O-N 3.48Å; I176-A178 PolarHBondContact O-N 3.08Å; I176-E179 PolarHBondContact O-N 3.35Å; I176-E179 VanDerWaalsContact O-N 3.15Å; I176-E180 HydrophobicContact CG2-CG 3.83Å |
| 177 | F | 59.7 | Low | 74.2 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 39% | 0.386 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -63.2 | -12 | -178.3 | -76.6 | -93.6 | 0 | 0 | 0 | 115.3 | F174 L186 L190 M193 | F174-F177 HydrophobicContact CD1-CE2 4.37Å; F177-L186 HydrophobicContact CD1-CD1 3.68Å; F177-L186 HydrophobicContact CE1-CD1 3.57Å; F177-L190 HydrophobicContact CE1-CD1 4.22Å; F177-L190 HydrophobicContact CZ-CD1 4.04Å; F177-M193 HydrophobicContact CE2-CE 3.8Å; F177-M193 HydrophobicContact CE2-SD 3.38Å; F177-M193 WeakPolarHBondContact CE2-SD 3.25Å; F177-M193 HydrophobicContact CZ-CE 3.72Å; F177-M193 HydrophobicContact CZ-SD 3.46Å; F177-M193 WeakPolarHBondContact CZ-SD 3.37Å |
| 178 | A | 55.7 | Low | 74.3 | Confident | 96 Ų | 96 | 91.3 Ų | 91.3 | 79% | 0.793 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -85.1 | -15.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | I176 | I176-A178 PolarHBondContact O-N 3.08Š|
| 179 | E | 60.1 | Low | 74.3 | Confident | 171 Ų | 171 | 84.9 Ų | 84.9 | 80% | 0.799 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | -19 | -168.1 | -62.7 | -173.5 | 168.5 | 0 | 0 | 115 | I176 S181 | I176-E179 PolarHBondContact O-N 3.35Å; I176-E179 VanDerWaalsContact O-N 3.15Å; E179-S181 PolarHBondContact O-N 3.19Å; E179-S181 VanDerWaalsContact O-N 3.1Å |
| 180 | E | 60.3 | Low | 74.5 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 24% | 0.243 | 47% | 0.465 | C | S | . | . | trans | -75.6 | 99 | -179.7 | -84.7 | -172.2 | 156 | 0 | 0 | 113.1 | I176 N182 H189 | I176-E180 HydrophobicContact CG2-CG 3.83Å; E180-N182 VanDerWaalsContact C-N 3.34Å; E180-N182 PolarHBondContact O-N 3.38Å; E180-H189 IonicContact OE2-CD2 2.71Å | ||
| 181 | S | 61 | Low | 74.7 | Confident | 123 Ų | 123 | 84 Ų | 84 | 86% | 0.86 | 48% | 0.48 | S | S | * | . | trans | -83.4 | 1.7 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 115.3 | E179 | E179-S181 PolarHBondContact O-N 3.19Å; E179-S181 VanDerWaalsContact O-N 3.1Å | ||
| 182 | N | 79 | Confident | 75 | Confident | 64 Ų | 64 | 83.8 Ų | 83.8 | 34% | 0.342 | 47% | 0.473 | S | S | . | . | trans | -111.8 | 118.3 | -178 | -176.3 | -24.4 | 0 | 0 | 0 | 111.6 | E180 N184 Q185 L186 | E180-N182 VanDerWaalsContact C-N 3.34Å; E180-N182 PolarHBondContact O-N 3.38Å; N182-N184 PolarHBondContact O-N 2.91Å; N182-N184 PolarHBondContact OD1-N 3.15Å; N182-Q185 HydrophobicContact CB-CB 4.25Å; N182-Q185 HydrophobicContact CB-CG 4.26Å; N182-Q185 PolarHBondContact O-N 3.42Å; N182-Q185 VanDerWaalsContact O-N 3.1Å; N182-L186 PolarHBondContact O-N 3.34Å; N182-L186 VanDerWaalsContact O-N 3.13Å | ||
| 183 | P | 77.3 | Confident | 75.3 | Confident | 95 Ų | 95 | 81.1 Ų | 81.1 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.9 | -27.7 | -175.2 | 25.6 | -35 | 0 | 0 | 0 | 113.8 | L187 | P183-L187 WeakPolarHBondContact O-CB 3.29Å; P183-L187 PolarHBondContact O-N 3.06Å |
| 184 | N | 80.8 | Confident | 75.8 | Confident | 121 Ų | 121 | 83.9 Ų | 83.9 | 65% | 0.647 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -76.6 | -29.9 | 178.4 | -68.9 | -33.3 | 0 | 0 | 0 | 112.4 | N182 A188 | N182-N184 PolarHBondContact O-N 2.91Å; N182-N184 PolarHBondContact OD1-N 3.15Å; N184-A188 WeakPolarHBondContact O-CB 3.47Å; N184-A188 PolarHBondContact O-N 3.35Å; N184-A188 VanDerWaalsContact O-N 3.16Å |
| 185 | Q | 82.5 | Confident | 76.5 | Confident | 107 Ų | 107 | 84 Ų | 84 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.5 | -45.1 | 173.2 | -74.2 | 177.9 | -21.2 | 0 | 0 | 110.5 | N182 L187 A188 H189 | N182-Q185 HydrophobicContact CB-CB 4.25Å; N182-Q185 HydrophobicContact CB-CG 4.26Å; N182-Q185 PolarHBondContact O-N 3.42Å; N182-Q185 VanDerWaalsContact O-N 3.1Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 2.99Å; Q185-A188 CarbonylContact O-C 3.57Å; Q185-A188 PolarHBondContact O-N 3.49Å; Q185-A188 VanDerWaalsContact O-N 3.15Å; Q185-H189 WeakPolarHBondContact O-CB 3.49Å; Q185-H189 PolarHBondContact O-N 3.1Å |
| 186 | L | 82.1 | Confident | 77.2 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -54.6 | -46.2 | 173.5 | -178 | 65.9 | 0 | 0 | 0 | 112 | F177 N182 H189 L190 | F177-L186 HydrophobicContact CD1-CD1 3.68Å; F177-L186 HydrophobicContact CE1-CD1 3.57Å; N182-L186 PolarHBondContact O-N 3.34Å; N182-L186 VanDerWaalsContact O-N 3.13Å; L186-H189 PolarHBondContact O-N 2.9Å; L186-L190 WeakPolarHBondContact O-CB 3.25Å; L186-L190 PolarHBondContact O-N 3Å |
| 187 | L | 83.9 | Confident | 78.3 | Confident | 121 Ų | 121 | 83.9 Ų | 83.9 | 63% | 0.634 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 177.8 | -170.5 | 70 | 0 | 0 | 0 | 112.1 | P183 Q185 H189 L190 G191 | P183-L187 WeakPolarHBondContact O-CB 3.29Å; P183-L187 PolarHBondContact O-N 3.06Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 2.99Å; L187-H189 VanDerWaalsContact C-N 3.28Å; L187-H189 PolarHBondContact O-N 3.45Å; L187-L190 PolarHBondContact O-N 3.03Å; L187-G191 PolarHBondContact O-N 3.4Å |
| 188 | A | 84.8 | Confident | 79.7 | Confident | 50 Ų | 50 | 86.9 Ų | 86.9 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -32.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N184 Q185 R192 | N184-A188 WeakPolarHBondContact O-CB 3.47Å; N184-A188 PolarHBondContact O-N 3.35Å; N184-A188 VanDerWaalsContact O-N 3.16Å; Q185-A188 CarbonylContact O-C 3.57Å; Q185-A188 PolarHBondContact O-N 3.49Å; Q185-A188 VanDerWaalsContact O-N 3.15Å; A188-R192 WeakPolarHBondContact O-CG 3.3Å; A188-R192 PolarHBondContact O-N 2.93Å; A188-R192 VanDerWaalsContact O-N 3.14Å; A188-R192 PolarHBondContact O-NH1 3.26Å |
| 189 | H | 84 | Confident | 81.3 | Confident | 15 Ų | 15 | 86.7 Ų | 86.7 | 7% | 0.069 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -71.4 | -46.4 | 176.6 | -167.8 | 34.4 | 0 | 0 | 0 | 112.2 | S173 E180 Q185 L186 L187 G191 R192 M193 | S173-H189 VanDerWaalsContact CA-NE2 3.26Å; S173-H189 WeakPolarHBondContact CA-NE2 3.07Å; S173-H189 WeakPolarHBondContact CB-NE2 3.42Å; E180-H189 IonicContact OE2-CD2 2.71Å; Q185-H189 WeakPolarHBondContact O-CB 3.49Å; Q185-H189 PolarHBondContact O-N 3.1Å; L186-H189 PolarHBondContact O-N 2.9Å; L187-H189 VanDerWaalsContact C-N 3.28Å; L187-H189 PolarHBondContact O-N 3.45Å; H189-G191 PolarHBondContact O-N 3.18Å; H189-R192 PolarHBondContact CE1-NE 2.93Å; H189-R192 PolarHBondContact CE1-NH2 3.3Å; H189-R192 PolarHBondContact ND1-NH2 3Å; H189-R192 WeakPolarHBondContact O-CB 3.45Å; H189-R192 PolarHBondContact O-N 3.35Å; H189-M193 PolarHBondContact O-N 3.04Å |
| 190 | L | 85.3 | Confident | 82.7 | Confident | 90 Ų | 90 | 80.2 Ų | 80.2 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.5 | -38.6 | 172.7 | -155.8 | 76.7 | 0 | 0 | 0 | 111.3 | F177 L186 L187 M193 A194 | F177-L190 HydrophobicContact CE1-CD1 4.22Å; F177-L190 HydrophobicContact CZ-CD1 4.04Å; L186-L190 WeakPolarHBondContact O-CB 3.25Å; L186-L190 PolarHBondContact O-N 3Å; L187-L190 PolarHBondContact O-N 3.03Å; L190-M193 HydrophobicContact CD1-CE 4.38Å; L190-M193 PolarHBondContact O-N 2.96Å; L190-A194 WeakPolarHBondContact O-CB 3.38Å; L190-A194 PolarHBondContact O-N 3.03Å |
| 191 | G | 86.3 | Confident | 84 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 39% | 0.392 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -41 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L187 H189 A194 V195 | L187-G191 PolarHBondContact O-N 3.4Å; H189-G191 PolarHBondContact O-N 3.18Å; G191-A194 PolarHBondContact O-N 2.89Å; G191-V195 PolarHBondContact O-N 3.07Å |
| 192 | R | 87.3 | Confident | 85.4 | Confident | 127 Ų | 127 | 77.5 Ų | 77.5 | 48% | 0.479 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 173.9 | -69.4 | -175.2 | -62.4 | -88 | 6.5 | 111.4 | A188 H189 A194 V195 E196 | A188-R192 WeakPolarHBondContact O-CG 3.3Å; A188-R192 PolarHBondContact O-N 2.93Å; A188-R192 VanDerWaalsContact O-N 3.14Å; A188-R192 PolarHBondContact O-NH1 3.26Å; H189-R192 PolarHBondContact CE1-NE 2.93Å; H189-R192 PolarHBondContact CE1-NH2 3.3Å; H189-R192 PolarHBondContact ND1-NH2 3Å; H189-R192 WeakPolarHBondContact O-CB 3.45Å; H189-R192 PolarHBondContact O-N 3.35Å; R192-A194 VanDerWaalsContact C-N 3.35Å; R192-A194 PolarHBondContact O-N 3.44Å; R192-V195 PolarHBondContact O-N 3.33Å; R192-E196 PolarHBondContact O-N 2.89Å; R192-E196 VanDerWaalsContact O-N 3.08Å |
| 193 | M | 85.9 | Confident | 85.9 | Confident | 11 Ų | 11 | 77 Ų | 77 | 5% | 0.054 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 176.6 | -75.4 | 163.1 | 51.9 | 0 | 0 | 112.8 | L170 S173 F174 F177 H189 L190 V195 E196 F197 | L170-M193 HydrophobicContact CD1-CG 4.42Å; S173-M193 WeakPolarHBondContact OG-CG 3.5Å; F174-M193 HydrophobicContact CD1-CE 4Å; F174-M193 HydrophobicContact CE1-CE 3.44Å; F174-M193 VanDerWaalsContact CE1-CE 3.44Å; F174-M193 HydrophobicContact CZ-CE 4.07Å; F177-M193 HydrophobicContact CE2-CE 3.8Å; F177-M193 HydrophobicContact CE2-SD 3.38Å; F177-M193 WeakPolarHBondContact CE2-SD 3.25Å; F177-M193 HydrophobicContact CZ-CE 3.72Å; F177-M193 HydrophobicContact CZ-SD 3.46Å; F177-M193 WeakPolarHBondContact CZ-SD 3.37Å; H189-M193 PolarHBondContact O-N 3.04Å; L190-M193 HydrophobicContact CD1-CE 4.38Å; L190-M193 PolarHBondContact O-N 2.96Å; M193-V195 PolarHBondContact O-N 2.96Å; M193-E196 PolarHBondContact O-N 3.33Å; M193-E196 VanDerWaalsContact O-N 3.16Å; M193-F197 HydrophobicContact CE-CE2 4.49Å; M193-F197 WeakPolarHBondContact O-CB 3.36Å; M193-F197 WeakPolarHBondContact O-CD2 3.49Å; M193-F197 PolarHBondContact O-N 3.21Å |
| 194 | A | 87.1 | Confident | 86.6 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 50% | 0.504 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.7 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L190 G191 R192 H198 | L190-A194 WeakPolarHBondContact O-CB 3.38Å; L190-A194 PolarHBondContact O-N 3.03Å; G191-A194 PolarHBondContact O-N 2.89Å; R192-A194 VanDerWaalsContact C-N 3.35Å; R192-A194 PolarHBondContact O-N 3.44Å; A194-H198 WeakPolarHBondContact O-CB 3.23Å; A194-H198 PolarHBondContact O-N 3.28Å |
| 195 | V | 88.4 | Confident | 87.1 | Confident | 104 Ų | 104 | 76 Ų | 76 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.8 | -42.4 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | G191 R192 M193 H198 H199 | G191-V195 PolarHBondContact O-N 3.07Å; R192-V195 PolarHBondContact O-N 3.33Å; M193-V195 PolarHBondContact O-N 2.96Å; V195-H198 PolarHBondContact O-N 3.36Å; V195-H199 PolarHBondContact O-N 3.26Å |
| 196 | E | 85.9 | Confident | 87.4 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 29% | 0.29 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 175.9 | -68.9 | -170.9 | 154.2 | 0 | 0 | 111.9 | L170 R192 M193 H199 L200 | L170-E196 HydrophobicContact CD1-CB 4.05Å; R192-E196 PolarHBondContact O-N 2.89Å; R192-E196 VanDerWaalsContact O-N 3.08Å; M193-E196 PolarHBondContact O-N 3.33Å; M193-E196 VanDerWaalsContact O-N 3.16Å; E196-H199 PolarHBondContact O-N 2.85Å; E196-L200 WeakPolarHBondContact O-CB 3.46Å; E196-L200 PolarHBondContact O-N 3.35Å |
| 197 | F | 87.6 | Confident | 87.8 | Confident | 99 Ų | 99 | 77.5 Ų | 77.5 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 172.6 | -88.8 | -61.2 | 0 | 0 | 0 | 112.8 | L170 F174 M193 H199 L200 S201 | L170-F197 HydrophobicContact CD1-CD2 4.39Å; L170-F197 HydrophobicContact CD1-CE2 4.32Å; L170-F197 HydrophobicContact CD2-CD1 4.33Å; L170-F197 HydrophobicContact CD2-CE1 4.04Å; L170-F197 HydrophobicContact CD2-CZ 4.28Å; F174-F197 HydrophobicContact CE2-CZ 4.45Å; F174-F197 AromaticContact CZ-CE2 3.92Å; F174-F197 HydrophobicContact CZ-CE2 3.92Å; F174-F197 AromaticContact CZ-CZ 3.72Å; F174-F197 HydrophobicContact CZ-CZ 3.72Å; M193-F197 HydrophobicContact CE-CE2 4.49Å; M193-F197 WeakPolarHBondContact O-CB 3.36Å; M193-F197 WeakPolarHBondContact O-CD2 3.49Å; M193-F197 PolarHBondContact O-N 3.21Å; F197-H199 VanDerWaalsContact C-N 3.32Å; F197-H199 PolarHBondContact O-N 2.85Å; F197-L200 PolarHBondContact O-N 2.95Å; F197-S201 WeakPolarHBondContact O-CB 3.46Å; F197-S201 PolarHBondContact O-N 2.85Å |
| 198 | H | 89.6 | Confident | 88.2 | Confident | 151 Ų | 151 | 78 Ų | 78 | 70% | 0.699 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 178.2 | -158 | 86.3 | 0 | 0 | 0 | 111.6 | A194 V195 S202 | A194-H198 WeakPolarHBondContact O-CB 3.23Å; A194-H198 PolarHBondContact O-N 3.28Å; V195-H198 PolarHBondContact O-N 3.36Å; H198-S202 PolarHBondContact O-N 3.45Å; H198-S202 VanDerWaalsContact O-N 3.08Å |
| 199 | H | 88.8 | Confident | 88.5 | Confident | 91 Ų | 91 | 81 Ų | 81 | 42% | 0.421 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 174.5 | -171.7 | 81.9 | 0 | 0 | 0 | 112.4 | Q166 V195 E196 F197 S202 K203 | Q166-H199 PolarHBondContact NE2-CD2 3.32Å; Q166-H199 PolarHBondContact NE2-NE2 3.49Å; V195-H199 PolarHBondContact O-N 3.26Å; E196-H199 PolarHBondContact O-N 2.85Å; F197-H199 VanDerWaalsContact C-N 3.32Å; F197-H199 PolarHBondContact O-N 2.85Å; H199-S202 PolarHBondContact O-N 3.32Å; H199-K203 WeakPolarHBondContact NE2-CE 3.07Å; H199-K203 PolarHBondContact O-N 2.9Å |
| 200 | L | 89.1 | Confident | 88.9 | Confident | 36 Ų | 36 | 86.9 Ų | 86.9 | 19% | 0.188 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.1 | -174 | 61.7 | 0 | 0 | 0 | 111.5 | L163 L167 L170 E196 F197 S202 K203 V204 | L163-L200 HydrophobicContact CD1-CD1 3.58Å; L167-L200 HydrophobicContact CD2-CD2 3.97Å; L170-L200 HydrophobicContact CD2-CD2 4.32Å; E196-L200 WeakPolarHBondContact O-CB 3.46Å; E196-L200 PolarHBondContact O-N 3.35Å; F197-L200 PolarHBondContact O-N 2.95Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.13Å; L200-K203 WeakPolarHBondContact O-CB 3.36Å; L200-K203 PolarHBondContact O-N 3.43Å; L200-K203 VanDerWaalsContact O-N 3.07Å; L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 2.94Å |
| 201 | S | 88.4 | Confident | 89.3 | Confident | 76 Ų | 76 | 86.1 Ų | 86.1 | 53% | 0.531 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | F197 K203 V204 Q205 | F197-S201 WeakPolarHBondContact O-CB 3.46Å; F197-S201 PolarHBondContact O-N 2.85Å; S201-K203 VanDerWaalsContact C-N 3.32Å; S201-K203 PolarHBondContact O-N 2.82Å; S201-V204 PolarHBondContact O-N 3.49Å; S201-Q205 PolarHBondContact O-N 3.48Å |
| 202 | S | 90 | Very high | 89.6 | Confident | 42 Ų | 42 | 87.5 Ų | 87.5 | 29% | 0.294 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.1 | -36 | 174.4 | -171.2 | 0 | 0 | 0 | 0 | 113.2 | H198 H199 L200 K206 | H198-S202 PolarHBondContact O-N 3.45Å; H198-S202 VanDerWaalsContact O-N 3.08Å; H199-S202 PolarHBondContact O-N 3.32Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.13Å; S202-K206 WeakPolarHBondContact O-CB 3.49Å; S202-K206 WeakPolarHBondContact O-CD 3.35Å; S202-K206 VanDerWaalsContact O-CG 3.26Å; S202-K206 WeakPolarHBondContact O-CG 3.21Å; S202-K206 PolarHBondContact O-N 3.09Å; S202-K206 VanDerWaalsContact O-N 3.17Å; S202-K206 PolarHBondContact OG-NZ 3.34Å |
| 203 | K | 89.9 | Confident | 89.9 | Confident | 53 Ų | 53 | 85.6 Ų | 85.6 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 173.9 | -78.1 | -170.7 | 170.3 | -175.9 | 0 | 112.2 | L163 H199 L200 S201 K206 N207 | L163-K203 HydrophobicContact CD1-CD 3.91Å; H199-K203 WeakPolarHBondContact NE2-CE 3.07Å; H199-K203 PolarHBondContact O-N 2.9Å; L200-K203 WeakPolarHBondContact O-CB 3.36Å; L200-K203 PolarHBondContact O-N 3.43Å; L200-K203 VanDerWaalsContact O-N 3.07Å; S201-K203 VanDerWaalsContact C-N 3.32Å; S201-K203 PolarHBondContact O-N 2.82Å; K203-K206 PolarHBondContact O-N 2.9Å; K203-N207 WeakPolarHBondContact O-CB 3.49Å; K203-N207 PolarHBondContact O-N 3.15Å |
| 204 | V | 90.8 | Very high | 90.4 | Very high | 88 Ų | 88 | 90.3 Ų | 90.3 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L200 S201 K206 N207 E208 | L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 2.94Å; S201-V204 PolarHBondContact O-N 3.49Å; V204-K206 VanDerWaalsContact C-N 3.3Å; V204-K206 PolarHBondContact O-N 3.42Å; V204-N207 WeakPolarHBondContact O-CA 3.45Å; V204-N207 WeakPolarHBondContact O-CB 3.45Å; V204-N207 PolarHBondContact O-N 2.91Å; V204-E208 PolarHBondContact O-N 3.31Å |
| 205 | Q | 92.1 | Very high | 90.6 | Very high | 106 Ų | 106 | 94.1 Ų | 94.1 | 50% | 0.495 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 178.2 | -168.9 | -176.1 | 27.1 | 0 | 0 | 112.5 | S201 Q209 | S201-Q205 PolarHBondContact O-N 3.48Å; Q205-Q209 VanDerWaalsContact O-CG 3.29Å; Q205-Q209 WeakPolarHBondContact O-CG 3.3Å; Q205-Q209 PolarHBondContact O-N 2.88Å |
| 206 | K | 89.3 | Confident | 90.8 | Very high | 114 Ų | 114 | 92.4 Ų | 92.4 | 50% | 0.496 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 174.5 | -74 | 168.3 | -176.2 | 166.5 | 0 | 112.7 | S202 K203 V204 R210 | S202-K206 WeakPolarHBondContact O-CB 3.49Å; S202-K206 WeakPolarHBondContact O-CD 3.35Å; S202-K206 VanDerWaalsContact O-CG 3.26Å; S202-K206 WeakPolarHBondContact O-CG 3.21Å; S202-K206 PolarHBondContact O-N 3.09Å; S202-K206 VanDerWaalsContact O-N 3.17Å; S202-K206 PolarHBondContact OG-NZ 3.34Å; K203-K206 PolarHBondContact O-N 2.9Å; V204-K206 VanDerWaalsContact C-N 3.3Å; V204-K206 PolarHBondContact O-N 3.42Å; K206-R210 WeakPolarHBondContact O-CB 3.49Å; K206-R210 VanDerWaalsContact O-CG 3.29Å; K206-R210 WeakPolarHBondContact O-CG 3.31Å; K206-R210 PolarHBondContact O-N 3.03Å |
| 207 | N | 90.4 | Very high | 91.2 | Very high | 92 Ų | 92 | 93.6 Ų | 93.6 | 49% | 0.492 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.9 | -43.6 | 175.9 | -168 | -46.1 | 0 | 0 | 0 | 110.9 | K203 V204 Q209 R210 T211 | K203-N207 WeakPolarHBondContact O-CB 3.49Å; K203-N207 PolarHBondContact O-N 3.15Å; V204-N207 WeakPolarHBondContact O-CA 3.45Å; V204-N207 WeakPolarHBondContact O-CB 3.45Å; V204-N207 PolarHBondContact O-N 2.91Å; N207-Q209 PolarHBondContact O-N 3.06Å; N207-R210 PolarHBondContact O-N 3.33Å; N207-T211 WeakPolarHBondContact O-CB 3.33Å; N207-T211 PolarHBondContact O-N 3.21Å; N207-T211 PolarHBondContact O-OG1 2.88Å; N207-T211 PolarHBondContact OD1-OG1 3.4Å |
| 208 | E | 90.3 | Very high | 91.5 | Very high | 133 Ų | 133 | 92.6 Ų | 92.6 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.6 | -46.6 | 173.1 | -175.2 | 179.4 | -164.5 | 0 | 0 | 111.7 | V204 T211 S212 | V204-E208 PolarHBondContact O-N 3.31Å; E208-T211 PolarHBondContact O-N 2.96Å; E208-S212 WeakPolarHBondContact O-CB 3.36Å; E208-S212 PolarHBondContact O-N 2.85Å |
| 209 | Q | 93 | Very high | 91.7 | Very high | 113 Ų | 113 | 88.7 Ų | 88.7 | 53% | 0.528 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 173.6 | -74.3 | 172.3 | -4.7 | 0 | 0 | 112.9 | Q205 N207 T211 S212 L213 | Q205-Q209 VanDerWaalsContact O-CG 3.29Å; Q205-Q209 WeakPolarHBondContact O-CG 3.3Å; Q205-Q209 PolarHBondContact O-N 2.88Å; N207-Q209 PolarHBondContact O-N 3.06Å; Q209-T211 VanDerWaalsContact C-N 3.29Å; Q209-T211 PolarHBondContact O-N 3.49Å; Q209-S212 PolarHBondContact O-N 3.16Å; Q209-L213 WeakPolarHBondContact O-CB 3.45Å; Q209-L213 PolarHBondContact O-N 3.23Å |
| 210 | R | 92 | Very high | 91.9 | Very high | 137 Ų | 137 | 88.9 Ų | 88.9 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 175.3 | -76.7 | 170.7 | 173.2 | 179.2 | -4 | 111.5 | E159 K206 N207 L214 | E159-R210 IonicContact OE1-CZ 2.69Å; E159-R210 IonicContact OE1-NH1 3.91Å; E159-R210 PolarHBondContact OE1-NH1 3.03Å; E159-R210 IonicContact OE1-NH2 3.02Å; E159-R210 PolarHBondContact OE1-NH2 3.49Å; E159-R210 IonicContact OE2-CZ 3.64Å; E159-R210 IonicContact OE2-NH1 3.98Å; E159-R210 PolarHBondContact OE2-NH1 3.01Å; E159-R210 IonicContact OE2-NH2 2.88Å; K206-R210 WeakPolarHBondContact O-CB 3.49Å; K206-R210 VanDerWaalsContact O-CG 3.29Å; K206-R210 WeakPolarHBondContact O-CG 3.31Å; K206-R210 PolarHBondContact O-N 3.03Å; N207-R210 PolarHBondContact O-N 3.33Å; R210-L214 WeakPolarHBondContact O-CB 3.5Å; R210-L214 PolarHBondContact O-N 3Å |
| 211 | T | 93.4 | Very high | 92.2 | Very high | 75 Ų | 75 | 92.1 Ų | 92.1 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 179.8 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | N207 E208 Q209 L213 L214 Q215 | N207-T211 WeakPolarHBondContact O-CB 3.33Å; N207-T211 PolarHBondContact O-N 3.21Å; N207-T211 PolarHBondContact O-OG1 2.88Å; N207-T211 PolarHBondContact OD1-OG1 3.4Å; E208-T211 PolarHBondContact O-N 2.96Å; Q209-T211 VanDerWaalsContact C-N 3.29Å; Q209-T211 PolarHBondContact O-N 3.49Å; T211-L213 PolarHBondContact O-N 3.35Å; T211-L214 PolarHBondContact O-N 2.86Å; T211-Q215 WeakPolarHBondContact O-CB 3.33Å; T211-Q215 PolarHBondContact O-N 3.37Å |
| 212 | S | 92.2 | Very high | 92.4 | Very high | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 175.2 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | E208 Q209 Q215 T216 | E208-S212 WeakPolarHBondContact O-CB 3.36Å; E208-S212 PolarHBondContact O-N 2.85Å; Q209-S212 PolarHBondContact O-N 3.16Å; S212-Q215 PolarHBondContact O-N 2.96Å; S212-T216 WeakPolarHBondContact O-CB 3.49Å; S212-T216 PolarHBondContact O-N 2.98Å; S212-T216 PolarHBondContact O-OG1 2.98Å |
| 213 | L | 94.2 | Very high | 92.5 | Very high | 86 Ų | 86 | 97.3 Ų | 97.3 | 45% | 0.45 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 173.2 | -179.9 | 61.8 | 0 | 0 | 0 | 111.9 | Q209 T211 T216 L217 | Q209-L213 WeakPolarHBondContact O-CB 3.45Å; Q209-L213 PolarHBondContact O-N 3.23Å; T211-L213 PolarHBondContact O-N 3.35Å; L213-T216 WeakPolarHBondContact O-CB 3.48Å; L213-T216 PolarHBondContact O-N 2.74Å; L213-L217 HydrophobicContact CD1-CD1 4.4Å; L213-L217 HydrophobicContact CG-CD1 4.17Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 2.97Å |
| 214 | L | 95.1 | Very high | 92.7 | Very high | 111 Ų | 111 | 100.1 Ų | 100.1 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 177.2 | -176.4 | 60.2 | 0 | 0 | 0 | 111.6 | R210 T211 T216 L217 C218 | R210-L214 WeakPolarHBondContact O-CB 3.5Å; R210-L214 PolarHBondContact O-N 3Å; T211-L214 PolarHBondContact O-N 2.86Å; L214-T216 VanDerWaalsContact C-N 3.3Å; L214-T216 PolarHBondContact O-N 2.92Å; L214-L217 PolarHBondContact O-N 3.35Å; L214-C218 PolarHBondContact O-N 3.33Å; L214-C218 PolarHBondContact O-SG 3.05Å; L214-C218 VanDerWaalsContact O-SG 3.33Å |
| 215 | Q | 91.9 | Very high | 92.9 | Very high | 140 Ų | 140 | 99.4 Ų | 99.4 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 175.9 | -172.7 | 174.4 | 3.5 | 0 | 0 | 111.6 | T211 S212 C218 E219 | T211-Q215 WeakPolarHBondContact O-CB 3.33Å; T211-Q215 PolarHBondContact O-N 3.37Å; S212-Q215 PolarHBondContact O-N 2.96Å; Q215-C218 PolarHBondContact O-N 2.97Å; Q215-E219 WeakPolarHBondContact O-CB 3.49Å; Q215-E219 PolarHBondContact O-N 2.84Å |
| 216 | T | 92.7 | Very high | 93 | Very high | 69 Ų | 69 | 97.5 Ų | 97.5 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 175.3 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | S212 L213 L214 E219 Q220 | S212-T216 WeakPolarHBondContact O-CB 3.49Å; S212-T216 PolarHBondContact O-N 2.98Å; S212-T216 PolarHBondContact O-OG1 2.98Å; L213-T216 WeakPolarHBondContact O-CB 3.48Å; L213-T216 PolarHBondContact O-N 2.74Å; L214-T216 VanDerWaalsContact C-N 3.3Å; L214-T216 PolarHBondContact O-N 2.92Å; T216-E219 PolarHBondContact O-N 3.24Å; T216-Q220 WeakPolarHBondContact O-CG 3.33Å; T216-Q220 PolarHBondContact O-N 3.49Å |
| 217 | L | 94.6 | Very high | 93.2 | Very high | 86 Ų | 86 | 98.5 Ų | 98.5 | 45% | 0.45 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 176.9 | -70.8 | 166.7 | 0 | 0 | 0 | 112.2 | L213 L214 E219 Q220 L221 | L213-L217 HydrophobicContact CD1-CD1 4.4Å; L213-L217 HydrophobicContact CG-CD1 4.17Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 2.97Å; L214-L217 PolarHBondContact O-N 3.35Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-Q220 PolarHBondContact O-N 3.01Å; L217-L221 WeakPolarHBondContact O-CB 3.44Å; L217-L221 PolarHBondContact O-N 3.31Å |
| 218 | C | 93.9 | Very high | 93.5 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 173.9 | -71.4 | 0 | 0 | 0 | 0 | 112 | L214 Q215 L221 R222 | L214-C218 PolarHBondContact O-N 3.33Å; L214-C218 PolarHBondContact O-SG 3.05Å; L214-C218 VanDerWaalsContact O-SG 3.33Å; Q215-C218 PolarHBondContact O-N 2.97Å; C218-L221 PolarHBondContact O-N 3.12Å; C218-R222 WeakPolarHBondContact O-CB 3.41Å; C218-R222 PolarHBondContact O-N 3.41Å |
| 219 | E | 93.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 100.7 Ų | 100.7 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 176.9 | 179.7 | 53.7 | -154.3 | 0 | 0 | 112 | Q215 T216 L217 R222 Q223 | Q215-E219 WeakPolarHBondContact O-CB 3.49Å; Q215-E219 PolarHBondContact O-N 2.84Å; T216-E219 PolarHBondContact O-N 3.24Å; L217-E219 VanDerWaalsContact C-N 3.33Å; E219-R222 WeakPolarHBondContact O-CB 3.32Å; E219-R222 PolarHBondContact O-N 2.97Å; E219-R222 IonicContact OE1-CZ 3.05Å; E219-R222 IonicContact OE1-NE 2.69Å; E219-R222 IonicContact OE1-NH2 3.23Å; E219-R222 PolarHBondContact OE1-NH2 2.83Å; E219-R222 IonicContact OE2-CZ 3.64Å; E219-R222 IonicContact OE2-NE 2.74Å; E219-R222 PolarHBondContact OE2-NE 2.94Å; E219-R222 IonicContact OE2-NH2 3.39Å; E219-R222 PolarHBondContact OE2-NH2 3.19Å; E219-Q223 VanDerWaalsContact O-CG 3.31Å; E219-Q223 WeakPolarHBondContact O-CG 3.37Å; E219-Q223 PolarHBondContact O-N 3.47Å; E219-Q223 PolarHBondContact OE1-NE2 2.72Å |
| 220 | Q | 92.9 | Very high | 93.7 | Very high | 95 Ų | 95 | 101.6 Ų | 101.6 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 171.2 | -75 | 174.7 | -11.5 | 0 | 0 | 111.6 | T216 L217 R222 Q223 E224 | T216-Q220 WeakPolarHBondContact O-CG 3.33Å; T216-Q220 PolarHBondContact O-N 3.49Å; L217-Q220 PolarHBondContact O-N 3.01Å; Q220-R222 PolarHBondContact O-N 2.69Å; Q220-Q223 WeakPolarHBondContact O-CB 3.35Å; Q220-Q223 PolarHBondContact O-N 2.87Å; Q220-Q223 VanDerWaalsContact O-N 3.1Å; Q220-E224 PolarHBondContact O-N 3.21Å |
| 221 | L | 94.7 | Very high | 93.8 | Very high | 105 Ų | 105 | 100.9 Ų | 100.9 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -34.5 | 177.8 | -153.8 | 88 | 0 | 0 | 0 | 111.8 | L217 C218 N225 | L217-L221 WeakPolarHBondContact O-CB 3.44Å; L217-L221 PolarHBondContact O-N 3.31Å; C218-L221 PolarHBondContact O-N 3.12Å; L221-N225 WeakPolarHBondContact O-CB 3.34Å; L221-N225 PolarHBondContact O-N 2.95Å; L221-N225 PolarHBondContact O-ND2 2.96Å |
| 222 | R | 92.8 | Very high | 93.7 | Very high | 135 Ų | 135 | 103.6 Ų | 103.6 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 175 | -168.4 | -174.4 | 73.8 | 86.9 | 5.5 | 111.6 | C218 E219 Q220 N226 | C218-R222 WeakPolarHBondContact O-CB 3.41Å; C218-R222 PolarHBondContact O-N 3.41Å; E219-R222 WeakPolarHBondContact O-CB 3.32Å; E219-R222 PolarHBondContact O-N 2.97Å; E219-R222 IonicContact OE1-CZ 3.05Å; E219-R222 IonicContact OE1-NE 2.69Å; E219-R222 IonicContact OE1-NH2 3.23Å; E219-R222 PolarHBondContact OE1-NH2 2.83Å; E219-R222 IonicContact OE2-CZ 3.64Å; E219-R222 IonicContact OE2-NE 2.74Å; E219-R222 PolarHBondContact OE2-NE 2.94Å; E219-R222 IonicContact OE2-NH2 3.39Å; E219-R222 PolarHBondContact OE2-NH2 3.19Å; Q220-R222 PolarHBondContact O-N 2.69Å; R222-N226 VanDerWaalsContact O-CG 3.26Å; R222-N226 PolarHBondContact O-N 3.3Å; R222-N226 VanDerWaalsContact O-N 3.1Å; R222-N226 PolarHBondContact O-ND2 3.31Å; R222-N226 VanDerWaalsContact O-ND2 3.14Å |
| 223 | Q | 92.6 | Very high | 93.7 | Very high | 91 Ų | 91 | 106.2 Ų | 106.2 | 43% | 0.425 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -52.4 | 176 | -70.6 | 169.6 | 11.8 | 0 | 0 | 110.9 | E219 Q220 N225 N226 E227 | E219-Q223 VanDerWaalsContact O-CG 3.31Å; E219-Q223 WeakPolarHBondContact O-CG 3.37Å; E219-Q223 PolarHBondContact O-N 3.47Å; E219-Q223 PolarHBondContact OE1-NE2 2.72Å; Q220-Q223 WeakPolarHBondContact O-CB 3.35Å; Q220-Q223 PolarHBondContact O-N 2.87Å; Q220-Q223 VanDerWaalsContact O-N 3.1Å; Q223-N225 VanDerWaalsContact C-N 3.31Å; Q223-N225 PolarHBondContact O-N 3.4Å; Q223-N226 WeakPolarHBondContact O-CA 3.37Å; Q223-N226 PolarHBondContact O-N 3.3Å; Q223-E227 PolarHBondContact O-N 3.31Å |
| 224 | E | 93.8 | Very high | 93.7 | Very high | 113 Ų | 113 | 106.4 Ų | 106.4 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.7 | -42.8 | 175.8 | -70.7 | -178.8 | 173.9 | 0 | 0 | 112.1 | Q220 N226 E227 L228 | Q220-E224 PolarHBondContact O-N 3.21Å; E224-N226 VanDerWaalsContact C-N 3.33Å; E224-N226 PolarHBondContact O-N 2.92Å; E224-E227 PolarHBondContact O-N 2.91Å; E224-L228 WeakPolarHBondContact O-CB 3.41Å; E224-L228 VanDerWaalsContact O-CG 3.28Å; E224-L228 WeakPolarHBondContact O-CG 3.43Å; E224-L228 PolarHBondContact O-N 2.9Å |
| 225 | N | 95 | Very high | 93.6 | Very high | 72 Ų | 72 | 104.6 Ų | 104.6 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 175.6 | -89 | -83 | 0 | 0 | 0 | 113.2 | L221 Q223 R229 | L221-N225 WeakPolarHBondContact O-CB 3.34Å; L221-N225 PolarHBondContact O-N 2.95Å; L221-N225 PolarHBondContact O-ND2 2.96Å; Q223-N225 VanDerWaalsContact C-N 3.31Å; Q223-N225 PolarHBondContact O-N 3.4Å; N225-R229 WeakPolarHBondContact O-CB 3.31Å; N225-R229 VanDerWaalsContact O-CG 3.26Å; N225-R229 WeakPolarHBondContact O-CG 3.48Å; N225-R229 PolarHBondContact O-N 3.16Å |
| 226 | N | 94.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 102 Ų | 102 | 35% | 0.353 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73 | -38 | 176.1 | -72.8 | -29.1 | 0 | 0 | 0 | 111.8 | R222 Q223 E224 R229 K230 | R222-N226 VanDerWaalsContact O-CG 3.26Å; R222-N226 PolarHBondContact O-N 3.3Å; R222-N226 VanDerWaalsContact O-N 3.1Å; R222-N226 PolarHBondContact O-ND2 3.31Å; R222-N226 VanDerWaalsContact O-ND2 3.14Å; Q223-N226 WeakPolarHBondContact O-CA 3.37Å; Q223-N226 PolarHBondContact O-N 3.3Å; E224-N226 VanDerWaalsContact C-N 3.33Å; E224-N226 PolarHBondContact O-N 2.92Å; N226-R229 PolarHBondContact O-N 3.09Å; N226-R229 PolarHBondContact OD1-NH1 3.47Å; N226-K230 WeakPolarHBondContact O-CB 3.48Å; N226-K230 PolarHBondContact O-N 3.13Å |
| 227 | E | 95.3 | Very high | 93.7 | Very high | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 172.9 | -70.1 | 179.7 | 179.4 | 0 | 0 | 111.7 | Q223 E224 R229 K230 K231 | Q223-E227 PolarHBondContact O-N 3.31Å; E224-E227 PolarHBondContact O-N 2.91Å; E227-R229 PolarHBondContact O-N 3.02Å; E227-K230 PolarHBondContact O-N 3.1Å; E227-K231 WeakPolarHBondContact O-CB 3.42Å; E227-K231 PolarHBondContact O-N 3.49Å |
| 228 | L | 95.8 | Very high | 93.6 | Very high | 107 Ų | 107 | 102.7 Ų | 102.7 | 56% | 0.56 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 175.1 | -73 | 172.2 | 0 | 0 | 0 | 112.3 | E224 K231 M232 | E224-L228 WeakPolarHBondContact O-CB 3.41Å; E224-L228 VanDerWaalsContact O-CG 3.28Å; E224-L228 WeakPolarHBondContact O-CG 3.43Å; E224-L228 PolarHBondContact O-N 2.9Å; L228-K231 PolarHBondContact O-N 3.37Å; L228-M232 WeakPolarHBondContact O-CB 3.41Å; L228-M232 WeakPolarHBondContact O-CG 3.27Å; L228-M232 PolarHBondContact O-N 3.23Å |
| 229 | R | 94.4 | Very high | 93.5 | Very high | 165 Ų | 165 | 105.7 Ų | 105.7 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -47.8 | 173.2 | -77.9 | 170.1 | 179.8 | 159.1 | -1.2 | 111.8 | N225 N226 E227 K231 M232 E233 | N225-R229 WeakPolarHBondContact O-CB 3.31Å; N225-R229 VanDerWaalsContact O-CG 3.26Å; N225-R229 WeakPolarHBondContact O-CG 3.48Å; N225-R229 PolarHBondContact O-N 3.16Å; N226-R229 PolarHBondContact O-N 3.09Å; N226-R229 PolarHBondContact OD1-NH1 3.47Å; E227-R229 PolarHBondContact O-N 3.02Å; R229-K231 VanDerWaalsContact C-N 3.32Å; R229-K231 PolarHBondContact O-N 3.02Å; R229-M232 WeakPolarHBondContact O-CB 3.47Å; R229-M232 PolarHBondContact O-N 3.1Å; R229-E233 WeakPolarHBondContact O-CB 3.45Å; R229-E233 PolarHBondContact O-N 3.15Å |
| 230 | K | 93.4 | Very high | 93.4 | Very high | 131 Ų | 131 | 105.7 Ų | 105.7 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.7 | -45.5 | 178.1 | -168.5 | -168.4 | -179.7 | -138.7 | 0 | 111 | N226 E227 E233 E234 | N226-K230 WeakPolarHBondContact O-CB 3.48Å; N226-K230 PolarHBondContact O-N 3.13Å; E227-K230 PolarHBondContact O-N 3.1Å; K230-E233 PolarHBondContact O-N 3.16Å; K230-E234 WeakPolarHBondContact CE-OE1 3.31Å; K230-E234 IonicContact NZ-OE1 3.94Å; K230-E234 PolarHBondContact NZ-OE1 2.88Å; K230-E234 WeakPolarHBondContact O-CG 3.36Å; K230-E234 PolarHBondContact O-N 3.18Å |
| 231 | K | 94.1 | Very high | 93.5 | Very high | 122 Ų | 122 | 107.9 Ų | 107.9 | 53% | 0.53 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 176.6 | -174.9 | 174.9 | 179.9 | 178.9 | 0 | 112.6 | E227 L228 R229 E233 E234 D235 | E227-K231 WeakPolarHBondContact O-CB 3.42Å; E227-K231 PolarHBondContact O-N 3.49Å; L228-K231 PolarHBondContact O-N 3.37Å; R229-K231 VanDerWaalsContact C-N 3.32Å; R229-K231 PolarHBondContact O-N 3.02Å; K231-E233 PolarHBondContact O-N 2.8Å; K231-E234 PolarHBondContact O-N 2.99Å; K231-D235 WeakPolarHBondContact O-CB 3.3Å; K231-D235 PolarHBondContact O-N 2.72Å |
| 232 | M | 91.3 | Very high | 93.5 | Very high | 133 Ų | 133 | 106.7 Ų | 106.7 | 66% | 0.655 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.4 | -38.1 | 174.2 | -77.5 | -95.7 | -71.3 | 0 | 0 | 112.3 | L228 R229 H236 | L228-M232 WeakPolarHBondContact O-CB 3.41Å; L228-M232 WeakPolarHBondContact O-CG 3.27Å; L228-M232 PolarHBondContact O-N 3.23Å; R229-M232 WeakPolarHBondContact O-CB 3.47Å; R229-M232 PolarHBondContact O-N 3.1Å; M232-H236 WeakPolarHBondContact O-CB 3.28Å; M232-H236 PolarHBondContact O-N 2.93Å |
| 233 | E | 92.4 | Very high | 93.5 | Very high | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -73.5 | -41.6 | 178.1 | -170.9 | 146.5 | -135.4 | 0 | 0 | 111.8 | R229 K230 K231 H236 H237 | R229-E233 WeakPolarHBondContact O-CB 3.45Å; R229-E233 PolarHBondContact O-N 3.15Å; K230-E233 PolarHBondContact O-N 3.16Å; K231-E233 PolarHBondContact O-N 2.8Å; E233-H236 WeakPolarHBondContact O-CB 3.5Å; E233-H236 PolarHBondContact O-N 3.23Å; E233-H237 PolarHBondContact O-N 3.38Å; E233-H237 PolarHBondContact O-ND1 3.38Å |
| 234 | E | 92.8 | Very high | 93.5 | Very high | 90 Ų | 90 | 104.9 Ų | 104.9 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 170.7 | -72.8 | 169.2 | -177 | 0 | 0 | 111.3 | K230 K231 H236 H237 I238 | K230-E234 WeakPolarHBondContact CE-OE1 3.31Å; K230-E234 IonicContact NZ-OE1 3.94Å; K230-E234 PolarHBondContact NZ-OE1 2.88Å; K230-E234 WeakPolarHBondContact O-CG 3.36Å; K230-E234 PolarHBondContact O-N 3.18Å; K231-E234 PolarHBondContact O-N 2.99Å; E234-H236 VanDerWaalsContact C-N 3.26Å; E234-H236 PolarHBondContact O-N 3.14Å; E234-H237 PolarHBondContact O-N 2.97Å; E234-H237 VanDerWaalsContact O-N 3.13Å; E234-I238 WeakPolarHBondContact O-CG1 3.23Å; E234-I238 PolarHBondContact O-N 2.91Å |
| 235 | D | 93.1 | Very high | 93.5 | Very high | 73 Ų | 73 | 105.4 Ų | 105.4 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -32.6 | 175 | -76.4 | -18.8 | 0 | 0 | 0 | 112.3 | K231 R239 | K231-D235 WeakPolarHBondContact O-CB 3.3Å; K231-D235 PolarHBondContact O-N 2.72Å; D235-R239 WeakPolarHBondContact O-CB 3.48Å; D235-R239 WeakPolarHBondContact O-CG 3.46Å; D235-R239 PolarHBondContact O-N 2.87Å; D235-R239 VanDerWaalsContact O-N 3.11Å; D235-R239 PolarHBondContact O-NE 3.12Å |
| 236 | H | 93.9 | Very high | 93.4 | Very high | 86 Ų | 86 | 106.5 Ų | 106.5 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.1 | -40.5 | 173.6 | -174.9 | -106 | 0 | 0 | 0 | 111.9 | M232 E233 E234 R239 N240 | M232-H236 WeakPolarHBondContact O-CB 3.28Å; M232-H236 PolarHBondContact O-N 2.93Å; E233-H236 WeakPolarHBondContact O-CB 3.5Å; E233-H236 PolarHBondContact O-N 3.23Å; E234-H236 VanDerWaalsContact C-N 3.26Å; E234-H236 PolarHBondContact O-N 3.14Å; H236-R239 PolarHBondContact O-N 3.15Å; H236-N240 PolarHBondContact CE1-ND2 3.3Å; H236-N240 VanDerWaalsContact CE1-ND2 3.3Å; H236-N240 WeakPolarHBondContact O-CB 3.48Å; H236-N240 PolarHBondContact O-N 2.86Å |
| 237 | H | 92.6 | Very high | 93.4 | Very high | 99 Ų | 99 | 111.1 Ų | 111.1 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 175.5 | -76.9 | 64.1 | 0 | 0 | 0 | 112.4 | E233 E234 R241 | E233-H237 PolarHBondContact O-N 3.38Å; E233-H237 PolarHBondContact O-ND1 3.38Å; E234-H237 PolarHBondContact O-N 2.97Å; E234-H237 VanDerWaalsContact O-N 3.13Å; H237-R241 PolarHBondContact O-N 2.92Å; H237-R241 VanDerWaalsContact O-N 3.11Å |
| 238 | I | 93.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 110.3 Ų | 110.3 | 36% | 0.359 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -53.5 | 173.3 | -66.9 | 163.2 | 0 | 0 | 0 | 109.8 | E234 N240 R241 D242 | E234-I238 WeakPolarHBondContact O-CG1 3.23Å; E234-I238 PolarHBondContact O-N 2.91Å; I238-N240 VanDerWaalsContact C-N 3.27Å; I238-N240 PolarHBondContact O-N 3.43Å; I238-R241 WeakPolarHBondContact O-CB 3.34Å; I238-R241 PolarHBondContact O-N 2.77Å; I238-D242 PolarHBondContact O-N 3.05Å |
| 239 | R | 92.2 | Very high | 93 | Very high | 140 Ų | 140 | 109 Ų | 109 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.3 | -38.3 | 177.5 | -77.8 | 177.2 | -70.6 | 140.5 | -9.7 | 113.2 | D235 H236 L243 | D235-R239 WeakPolarHBondContact O-CB 3.48Å; D235-R239 WeakPolarHBondContact O-CG 3.46Å; D235-R239 PolarHBondContact O-N 2.87Å; D235-R239 VanDerWaalsContact O-N 3.11Å; D235-R239 PolarHBondContact O-NE 3.12Å; H236-R239 PolarHBondContact O-N 3.15Å; R239-L243 WeakPolarHBondContact O-CB 3.41Å; R239-L243 PolarHBondContact O-N 3.02Å |
| 240 | N | 92.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 105.4 Ų | 105.4 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 175.4 | -79.1 | -13.5 | 0 | 0 | 0 | 112.1 | H236 I238 D242 L243 E244 | H236-N240 PolarHBondContact CE1-ND2 3.3Å; H236-N240 VanDerWaalsContact CE1-ND2 3.3Å; H236-N240 WeakPolarHBondContact O-CB 3.48Å; H236-N240 PolarHBondContact O-N 2.86Å; I238-N240 VanDerWaalsContact C-N 3.27Å; I238-N240 PolarHBondContact O-N 3.43Å; N240-D242 PolarHBondContact O-N 3.48Å; N240-L243 PolarHBondContact O-N 3.45Å; N240-E244 WeakPolarHBondContact O-CB 3.49Å; N240-E244 WeakPolarHBondContact O-CG 3.33Å; N240-E244 PolarHBondContact O-N 3.36Å |
| 241 | R | 94.8 | Very high | 92.6 | Very high | 142 Ų | 142 | 104.4 Ų | 104.4 | 54% | 0.536 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.2 | -84.9 | -175.9 | -91.1 | 111.5 | -6.8 | 112.2 | H237 I238 L243 E244 Q245 | H237-R241 PolarHBondContact O-N 2.92Å; H237-R241 VanDerWaalsContact O-N 3.11Å; I238-R241 WeakPolarHBondContact O-CB 3.34Å; I238-R241 PolarHBondContact O-N 2.77Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-L243 PolarHBondContact O-N 3.37Å; R241-E244 PolarHBondContact O-N 3.26Å; R241-Q245 WeakPolarHBondContact O-CB 3.39Å; R241-Q245 PolarHBondContact O-N 3.47Å |
| 242 | D | 93.9 | Very high | 92.4 | Very high | 79 Ų | 79 | 103.6 Ų | 103.6 | 42% | 0.422 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.4 | -64.2 | -18.5 | 0 | 0 | 0 | 111.3 | I238 N240 Q245 L246 | I238-D242 PolarHBondContact O-N 3.05Å; N240-D242 PolarHBondContact O-N 3.48Å; D242-Q245 PolarHBondContact O-N 3.46Å; D242-L246 WeakPolarHBondContact O-CB 3.21Å; D242-L246 VanDerWaalsContact O-CG 3.32Å; D242-L246 WeakPolarHBondContact O-CG 3.43Å; D242-L246 PolarHBondContact O-N 3.12Å |
| 243 | L | 93.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 101.6 Ų | 101.6 | 40% | 0.403 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.6 | -37.6 | 178.5 | -163.4 | 158.6 | 0 | 0 | 0 | 111.8 | R239 N240 R241 L246 R247 | R239-L243 WeakPolarHBondContact O-CB 3.41Å; R239-L243 PolarHBondContact O-N 3.02Å; N240-L243 PolarHBondContact O-N 3.45Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-L243 PolarHBondContact O-N 3.37Å; L243-L246 PolarHBondContact O-N 2.97Å; L243-R247 HydrophobicContact CD2-CG 4.33Å; L243-R247 VanDerWaalsContact CD2-NH1 3.32Å; L243-R247 WeakPolarHBondContact O-CG 3.48Å; L243-R247 PolarHBondContact O-N 3.33Å |
| 244 | E | 93 | Very high | 91.8 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.523 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 169.7 | -75.5 | 172.2 | -178.4 | 0 | 0 | 111.7 | N240 R241 L246 R247 L248 | N240-E244 WeakPolarHBondContact O-CB 3.49Å; N240-E244 WeakPolarHBondContact O-CG 3.33Å; N240-E244 PolarHBondContact O-N 3.36Å; R241-E244 PolarHBondContact O-N 3.26Å; E244-L246 VanDerWaalsContact C-N 3.34Å; E244-L246 PolarHBondContact O-N 3Å; E244-R247 WeakPolarHBondContact O-CB 3.33Å; E244-R247 PolarHBondContact O-N 3.44Å; E244-R247 VanDerWaalsContact O-N 3.12Å; E244-L248 WeakPolarHBondContact O-CG 3.46Å; E244-L248 PolarHBondContact O-N 3.09Å |
| 245 | Q | 93.7 | Very high | 91.5 | Very high | 123 Ų | 123 | 104 Ų | 104 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 175.2 | -175.3 | 174.1 | -21.9 | 0 | 0 | 111.6 | R241 D242 R247 L248 E249 | R241-Q245 WeakPolarHBondContact O-CB 3.39Å; R241-Q245 PolarHBondContact O-N 3.47Å; D242-Q245 PolarHBondContact O-N 3.46Å; Q245-R247 VanDerWaalsContact C-N 3.34Å; Q245-R247 PolarHBondContact O-N 3.46Å; Q245-L248 PolarHBondContact O-N 2.75Å; Q245-E249 PolarHBondContact O-N 3.22Å |
| 246 | L | 93.3 | Very high | 90.9 | Very high | 96 Ų | 96 | 106 Ų | 106 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -34 | 172.9 | -76.5 | 170.5 | 0 | 0 | 0 | 112.4 | D242 L243 E244 N250 | D242-L246 WeakPolarHBondContact O-CB 3.21Å; D242-L246 VanDerWaalsContact O-CG 3.32Å; D242-L246 WeakPolarHBondContact O-CG 3.43Å; D242-L246 PolarHBondContact O-N 3.12Å; L243-L246 PolarHBondContact O-N 2.97Å; E244-L246 VanDerWaalsContact C-N 3.34Å; E244-L246 PolarHBondContact O-N 3Å; L246-N250 VanDerWaalsContact O-CB 3.25Å; L246-N250 WeakPolarHBondContact O-CB 3.46Å; L246-N250 PolarHBondContact O-N 2.87Å; L246-N250 PolarHBondContact O-ND2 2.93Å |
| 247 | R | 93.1 | Very high | 89.9 | Confident | 163 Ų | 163 | 106.8 Ų | 106.8 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 172.3 | -79.8 | 178.6 | 179.1 | 136.5 | 1.4 | 111.6 | L243 E244 Q245 N250 Q251 | L243-R247 HydrophobicContact CD2-CG 4.33Å; L243-R247 VanDerWaalsContact CD2-NH1 3.32Å; L243-R247 WeakPolarHBondContact O-CG 3.48Å; L243-R247 PolarHBondContact O-N 3.33Å; E244-R247 WeakPolarHBondContact O-CB 3.33Å; E244-R247 PolarHBondContact O-N 3.44Å; E244-R247 VanDerWaalsContact O-N 3.12Å; Q245-R247 VanDerWaalsContact C-N 3.34Å; Q245-R247 PolarHBondContact O-N 3.46Å; R247-N250 PolarHBondContact O-N 2.97Å; R247-Q251 WeakPolarHBondContact O-CB 3.43Å; R247-Q251 PolarHBondContact O-N 2.89Å |
| 248 | L | 92.5 | Very high | 88.7 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 176.2 | -66.9 | 171.7 | 0 | 0 | 0 | 111.6 | E244 Q245 Q251 K252 | E244-L248 WeakPolarHBondContact O-CG 3.46Å; E244-L248 PolarHBondContact O-N 3.09Å; Q245-L248 PolarHBondContact O-N 2.75Å; L248-Q251 PolarHBondContact O-N 3.24Å; L248-K252 WeakPolarHBondContact O-CB 3.3Å; L248-K252 PolarHBondContact O-N 2.69Å |
| 249 | E | 91.1 | Very high | 86.8 | Confident | 80 Ų | 80 | 105.9 Ų | 105.9 | 37% | 0.374 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 175 | -169.2 | 161.5 | -143.1 | 0 | 0 | 111.3 | Q245 Q251 K252 L253 K353 | Q245-E249 PolarHBondContact O-N 3.22Å; E249-Q251 PolarHBondContact O-N 3.44Å; E249-K252 PolarHBondContact O-N 3.29Å; E249-L253 HydrophobicContact CG-CD1 4.29Å; E249-L253 WeakPolarHBondContact O-CB 3.41Å; E249-L253 VanDerWaalsContact O-CG 3.24Å; E249-L253 WeakPolarHBondContact O-CG 3.39Å; E249-L253 PolarHBondContact O-N 3.32Å; E249-K353 IonicContact OE1-NZ 3.52Å; E249-K353 PolarHBondContact OE1-NZ 3.31Å; E249-K353 IonicContact OE2-NZ 3.24Å |
| 250 | N | 88.4 | Confident | 84.7 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 173.3 | -87.2 | -84.1 | 0 | 0 | 0 | 113.2 | L246 R247 L253 K254 | L246-N250 VanDerWaalsContact O-CB 3.25Å; L246-N250 WeakPolarHBondContact O-CB 3.46Å; L246-N250 PolarHBondContact O-N 2.87Å; L246-N250 PolarHBondContact O-ND2 2.93Å; R247-N250 PolarHBondContact O-N 2.97Å; N250-L253 PolarHBondContact O-N 2.95Å; N250-K254 WeakPolarHBondContact O-CB 3.48Å; N250-K254 WeakPolarHBondContact O-CG 3.45Å; N250-K254 PolarHBondContact O-N 3.47Å |
| 251 | Q | 90.8 | Very high | 82.3 | Confident | 109 Ų | 109 | 104.2 Ų | 104.2 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -47.7 | 174.3 | 178.6 | 173.9 | -13.6 | 0 | 0 | 110.3 | R247 L248 E249 L253 K254 E255 | R247-Q251 WeakPolarHBondContact O-CB 3.43Å; R247-Q251 PolarHBondContact O-N 2.89Å; L248-Q251 PolarHBondContact O-N 3.24Å; E249-Q251 PolarHBondContact O-N 3.44Å; Q251-L253 VanDerWaalsContact C-N 3.29Å; Q251-L253 PolarHBondContact O-N 2.97Å; Q251-K254 WeakPolarHBondContact O-CB 3.46Å; Q251-K254 PolarHBondContact O-N 3.29Å; Q251-K254 VanDerWaalsContact O-N 3.1Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.31Å; Q251-E255 PolarHBondContact NE2-OE1 3.34Å; Q251-E255 WeakPolarHBondContact O-CG 3.4Å; Q251-E255 PolarHBondContact O-N 2.95Å |
| 252 | K | 90.3 | Very high | 79.6 | Confident | 106 Ų | 106 | 101.5 Ų | 101.5 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.3 | -38.2 | 175.3 | -170.5 | 176.8 | -179.4 | -178.5 | 0 | 112.2 | L248 E249 E255 L256 | L248-K252 WeakPolarHBondContact O-CB 3.3Å; L248-K252 PolarHBondContact O-N 2.69Å; E249-K252 PolarHBondContact O-N 3.29Å; K252-E255 PolarHBondContact O-N 3Å; K252-L256 WeakPolarHBondContact O-CD1 3.41Å; K252-L256 VanDerWaalsContact O-CG 3.32Å; K252-L256 WeakPolarHBondContact O-CG 3.23Å; K252-L256 PolarHBondContact O-N 3.47Å |
| 253 | L | 85.6 | Confident | 77.1 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.3 | -39.5 | 173.5 | -72.7 | 169.5 | 0 | 0 | 0 | 112.1 | E249 N250 Q251 L256 V257 | E249-L253 HydrophobicContact CG-CD1 4.29Å; E249-L253 WeakPolarHBondContact O-CB 3.41Å; E249-L253 VanDerWaalsContact O-CG 3.24Å; E249-L253 WeakPolarHBondContact O-CG 3.39Å; E249-L253 PolarHBondContact O-N 3.32Å; N250-L253 PolarHBondContact O-N 2.95Å; Q251-L253 VanDerWaalsContact C-N 3.29Å; Q251-L253 PolarHBondContact O-N 2.97Å; L253-L256 PolarHBondContact O-N 3.31Å; L253-V257 VanDerWaalsContact O-CG2 3.31Å; L253-V257 WeakPolarHBondContact O-CG2 3.33Å; L253-V257 PolarHBondContact O-N 2.84Å |
| 254 | K | 85.4 | Confident | 74.5 | Confident | 146 Ų | 146 | 106.6 Ų | 106.6 | 64% | 0.635 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.4 | -43 | 172.3 | -80 | 179.3 | 175.2 | -175.1 | 0 | 111.9 | N250 Q251 L256 V257 T258 | N250-K254 WeakPolarHBondContact O-CB 3.48Å; N250-K254 WeakPolarHBondContact O-CG 3.45Å; N250-K254 PolarHBondContact O-N 3.47Å; Q251-K254 WeakPolarHBondContact O-CB 3.46Å; Q251-K254 PolarHBondContact O-N 3.29Å; Q251-K254 VanDerWaalsContact O-N 3.1Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 2.78Å; K254-V257 PolarHBondContact O-N 3.34Å; K254-T258 VanDerWaalsContact O-CB 3.28Å; K254-T258 WeakPolarHBondContact O-CB 3.42Å; K254-T258 PolarHBondContact O-N 2.95Å; K254-T258 PolarHBondContact O-OG1 3.5Å; K254-T258 VanDerWaalsContact O-OG1 3.13Å |
| 255 | E | 85.1 | Confident | 71.7 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.9 | -39.4 | 175.2 | -72.6 | 165.1 | -168.7 | 0 | 0 | 111.5 | Q251 K252 G259 | Q251-E255 WeakPolarHBondContact CG-OE1 3.31Å; Q251-E255 PolarHBondContact NE2-OE1 3.34Å; Q251-E255 WeakPolarHBondContact O-CG 3.4Å; Q251-E255 PolarHBondContact O-N 2.95Å; K252-E255 PolarHBondContact O-N 3Å; E255-G259 WeakPolarHBondContact O-CA 3.24Å; E255-G259 PolarHBondContact O-N 3.3Å |
| 256 | L | 80.4 | Confident | 68.8 | Low | 115 Ų | 115 | 107.8 Ų | 107.8 | 60% | 0.602 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.1 | -40.1 | 173.8 | -72.8 | 163.4 | 0 | 0 | 0 | 113.3 | K252 L253 K254 G260 | K252-L256 WeakPolarHBondContact O-CD1 3.41Å; K252-L256 VanDerWaalsContact O-CG 3.32Å; K252-L256 WeakPolarHBondContact O-CG 3.23Å; K252-L256 PolarHBondContact O-N 3.47Å; L253-L256 PolarHBondContact O-N 3.31Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 2.78Å; L256-G260 PolarHBondContact O-N 3.09Å |
| 257 | V | 74.2 | Confident | 65.8 | Low | 103 Ų | 103 | 108 Ų | 108 | 62% | 0.624 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.8 | -48.1 | 179.9 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | L253 K254 G260 T261 | L253-V257 VanDerWaalsContact O-CG2 3.31Å; L253-V257 WeakPolarHBondContact O-CG2 3.33Å; L253-V257 PolarHBondContact O-N 2.84Å; K254-V257 PolarHBondContact O-N 3.34Å; V257-G260 PolarHBondContact O-N 3.4Å; V257-G260 VanDerWaalsContact O-N 3.15Å; V257-T261 PolarHBondContact O-OG1 2.98Å |
| 258 | T | 67.1 | Low | 62.9 | Low | 91 Ų | 91 | 105.8 Ų | 105.8 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.7 | -33 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | K254 G260 T261 A262 | K254-T258 VanDerWaalsContact O-CB 3.28Å; K254-T258 WeakPolarHBondContact O-CB 3.42Å; K254-T258 PolarHBondContact O-N 2.95Å; K254-T258 PolarHBondContact O-OG1 3.5Å; K254-T258 VanDerWaalsContact O-OG1 3.13Å; T258-G260 PolarHBondContact O-N 3.35Å; T258-T261 PolarHBondContact O-N 3.15Å; T258-A262 PolarHBondContact O-N 2.92Å |
| 259 | G | 53.2 | Low | 60.7 | Low | 59 Ų | 59 | 105.3 Ų | 105.3 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61 | -26.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E255 | E255-G259 WeakPolarHBondContact O-CA 3.24Å; E255-G259 PolarHBondContact O-N 3.3Å |
| 260 | G | 47.3 | Very low | 57.7 | Low | 69 Ų | 69 | 106.4 Ų | 106.4 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -6.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L256 V257 T258 | L256-G260 PolarHBondContact O-N 3.09Å; V257-G260 PolarHBondContact O-N 3.4Å; V257-G260 VanDerWaalsContact O-N 3.15Å; T258-G260 PolarHBondContact O-N 3.35Å |
| 261 | T | 41.4 | Very low | 55 | Low | 106 Ų | 106 | 110.3 Ų | 110.3 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 17 | -176.7 | 13.8 | 0 | 0 | 0 | 0 | 114.4 | V257 T258 V263 | V257-T261 PolarHBondContact O-OG1 2.98Å; T258-T261 PolarHBondContact O-N 3.15Å; T261-V263 VanDerWaalsContact C-N 3.34Å; T261-V263 PolarHBondContact O-N 2.96Å |
| 262 | A | 39.3 | Very low | 52 | Low | 84 Ų | 84 | 110.5 Ų | 110.5 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | trans | -88.7 | 17.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T258 | T258-A262 PolarHBondContact O-N 2.92Š| ||
| 263 | V | 41.1 | Very low | 49 | Very low | 138 Ų | 138 | 114 Ų | 114 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -135.5 | 80.1 | 171.8 | -173 | 0 | 0 | 0 | 0 | 110.3 | T261 | T261-V263 VanDerWaalsContact C-N 3.34Å; T261-V263 PolarHBondContact O-N 2.96Å |
| 264 | V | 37.9 | Very low | 46.4 | Very low | 126 Ų | 126 | 116 Ų | 116 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 167.4 | 140 | 137.7 | 151.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 265 | S | 34.3 | Very low | 44.3 | Very low | 113 Ų | 113 | 115 Ų | 115 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | trans | 75.3 | 89.2 | 165.5 | -65.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 266 | T | 32.8 | Very low | 41.7 | Very low | 147 Ų | 147 | 118.5 Ų | 118.5 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | -84.7 | 112.6 | 140.8 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 267 | A | 30.6 | Very low | 39.4 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -177.4 | 127.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 268 | S | 32.6 | Very low | 37.5 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -93 | 179.6 | 164.6 | -53.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 269 | P | 45.8 | Very low | 35.7 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | cis | -141.5 | -166.8 | 10.9 | 43.7 | -23.9 | 0 | 0 | 0 | 116.3 | ||||
| 270 | S | 28.8 | Very low | 34.6 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | 68.1 | 149.3 | 164.1 | 66.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 271 | E | 30.3 | Very low | 34.6 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | -159.3 | 155.2 | -12.5 | -119.3 | 179.4 | -152.3 | 0 | 0 | 109.9 | ||||
| 272 | T | 28.9 | Very low | 33.9 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | trans | 48.6 | 147.3 | 145.4 | -28 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 273 | E | 27.5 | Very low | 33.7 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | 95 | 106.4 | 159.9 | -55.8 | -158.3 | 165.2 | 0 | 0 | 120.8 | ||||
| 274 | T | 31.3 | Very low | 33.1 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -75.6 | 152.1 | 147.2 | 52.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 275 | P | 40.7 | Very low | 32.6 | Very low | 125 Ų | 125 | 142 Ų | 142 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | -147.3 | 179.2 | 92 | 37.3 | -19.3 | 0 | 0 | 0 | 116.2 | |||||
| 276 | E | 29.6 | Very low | 32.5 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -72.1 | 154.6 | -179.8 | -48.3 | 165.6 | 117.8 | 0 | 0 | 113.2 | ||||
| 277 | A | 31.9 | Very low | 32.9 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | 169.6 | 147.8 | 114.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 278 | K | 35.3 | Very low | 33 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -37.4 | 146.5 | 168.4 | -52.8 | 160.5 | -179.6 | 173.5 | 0 | 116.1 | ||||
| 279 | D | 28.8 | Very low | 32.7 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | -174.4 | 157.3 | 95.2 | -97.7 | -25.1 | 0 | 0 | 0 | 114 | |||||
| 280 | E | 30.4 | Very low | 32.4 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -89.4 | -175 | 166.3 | -121.3 | -159.9 | 177.2 | 0 | 0 | 109.6 | ||||
| 281 | P | 47.1 | Very low | 33 | Very low | 97 Ų | 97 | 148.5 Ų | 148.5 | 63% | 0.63 | 80% | 0.803 | S | S | * | * | cis | -132.8 | -156.6 | -26.5 | 30.4 | -8.2 | 0 | 0 | 0 | 112.3 | ||||
| 282 | V | 26.3 | Very low | 33 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | 116.8 | 116.6 | 150.5 | -174 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 283 | K | 36.3 | Very low | 33 | Very low | 193 Ų | 193 | 152 Ų | 152 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -15.4 | 140.3 | 153.8 | -74.4 | 171.2 | 163.1 | -178.8 | 0 | 119.8 | ||||
| 284 | E | 27.2 | Very low | 33.2 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | -176.2 | 122.5 | 108.7 | -99.8 | 173.9 | 173.2 | 0 | 0 | 108.1 | |||||
| 285 | E | 27.7 | Very low | 33.5 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | 82.1 | 125.8 | 94.1 | -165.7 | 164.6 | -153.4 | 0 | 0 | 115.8 | |||||
| 286 | S | 32.4 | Very low | 33.2 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -2.5 | 158.1 | 155.1 | -49.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 287 | P | 41.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | cis | -146.9 | -173.1 | 30.6 | 40.3 | -17.8 | 0 | 0 | 0 | 117.6 | ||||
| 288 | A | 32.1 | Very low | 34 | Very low | 90 Ų | 90 | 147 Ų | 147 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -72.6 | 167.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 289 | V | 27.2 | Very low | 34.1 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | 178.3 | 145.6 | 123.6 | 147.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 290 | R | 38.6 | Very low | 34.7 | Very low | 231 Ų | 231 | 149.5 Ų | 149.5 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -70.2 | 162.7 | 171.6 | -61.4 | 172 | 174 | 169.6 | -3.3 | 111.2 | ||||
| 291 | P | 41 | Very low | 34.9 | Very low | 133 Ų | 133 | 147 Ų | 147 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -121.1 | 135 | 144.1 | 16.2 | 2.6 | 0 | 0 | 0 | 113.9 | ||||
| 292 | K | 30.1 | Very low | 34.4 | Very low | 200 Ų | 200 | 146 Ų | 146 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -131.9 | 115.2 | 159.9 | 167.7 | -162 | 174.5 | -174.9 | 0 | 105.1 | ||||
| 293 | M | 30.1 | Very low | 35 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | 162.2 | 153.9 | 167.9 | -100.2 | 166.2 | 125.5 | 0 | 0 | 106.4 | ||||
| 294 | E | 31.6 | Very low | 34.8 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 71% | 0.71 | 82% | 0.815 | S | S | * | * | cis | -175.5 | 160.4 | -18.9 | -122.1 | 175 | -166.8 | 0 | 0 | 103.7 | ||||
| 295 | A | 37.7 | Very low | 35.1 | Very low | 103 Ų | 103 | 142 Ų | 142 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -89.8 | 124.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 296 | T | 34.3 | Very low | 35.5 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -138.7 | 127.9 | 165.4 | -41.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 297 | T | 36.2 | Very low | 35.8 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -57.9 | 157.5 | 172.9 | -30.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 298 | P | 42.2 | Very low | 35.7 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -128.9 | 127 | 135.5 | 33.2 | -23.3 | 0 | 0 | 0 | 113.3 | ||||
| 299 | Q | 36.8 | Very low | 36.6 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -74.5 | 148.6 | 157.9 | -67.8 | 174.7 | -80.5 | 0 | 0 | 110 | ||||
| 300 | K | 42 | Very low | 37.5 | Very low | 218 Ų | 218 | 145 Ų | 145 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | -140.3 | 138.8 | 148 | -92.5 | -169.8 | 175.1 | -180 | 0 | 109.7 | ||||
| 301 | S | 34.9 | Very low | 38 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -106.8 | 141.8 | 177.9 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 302 | G | 34.9 | Very low | 38.5 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 83.1 | 153.7 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 303 | K | 38.8 | Very low | 39.8 | Very low | 204 Ų | 204 | 135.6 Ų | 135.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | cis | -170.4 | 125.4 | -12 | 177.7 | 178.3 | 180 | 179.1 | 0 | 110.1 | ||||
| 304 | S | 33.2 | Very low | 41.4 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -164.7 | 117.3 | 156.9 | 43.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 305 | A | 33.7 | Very low | 43.6 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | 64 | 85.2 | 102.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 306 | E | 36.4 | Very low | 45.8 | Very low | 162 Ų | 162 | 131 Ų | 131 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | 90.8 | 140.5 | 84.8 | -161.8 | -159.2 | 129.5 | 0 | 0 | 112.5 | |||||
| 307 | K | 37.5 | Very low | 48.2 | Very low | 182 Ų | 182 | 129.4 Ų | 129.4 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 90.2 | 90.1 | 174.2 | -56 | 178.5 | -176.3 | 172.5 | 0 | 117.6 | ||||
| 308 | T | 40.2 | Very low | 50.7 | Low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -65.3 | -179.8 | 147.1 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 309 | P | 52.4 | Low | 52.9 | Low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | cis | -134.1 | 134.1 | -41.6 | 32.3 | -16 | 0 | 0 | 0 | 112.6 | ||||
| 310 | A | 45.9 | Very low | 55.6 | Low | 101 Ų | 101 | 126.9 Ų | 126.9 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | trans | -161.9 | 70.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 311 | K | 48.5 | Very low | 58 | Low | 169 Ų | 169 | 121.5 Ų | 121.5 | 74% | 0.735 | 69% | 0.687 | S | S | * | * | trans | -145 | 97.7 | 156.3 | -73.1 | -163.4 | -178.8 | 178.6 | 0 | 111.8 | C313 | K311-C313 PolarHBondContact O-N 3.01Š| ||
| 312 | A | 52.2 | Low | 60.8 | Low | 104 Ų | 104 | 120 Ų | 120 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 39.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 313 | C | 55.5 | Low | 63.7 | Low | 95 Ų | 95 | 122 Ų | 122 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | -12.6 | 179.8 | -71.8 | 0 | 0 | 0 | 0 | 113.9 | K311 V317 | K311-C313 PolarHBondContact O-N 3.01Å; C313-V317 WeakPolarHBondContact O-CG2 3.46Å |
| 314 | D | 65.4 | Low | 66.4 | Low | 75 Ų | 75 | 116.2 Ų | 116.2 | 40% | 0.401 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -83.2 | -27.3 | -177.4 | -70.3 | -47.7 | 0 | 0 | 0 | 113.1 | E316 V317 Y318 | D314-E316 PolarHBondContact O-N 3.32Å; D314-V317 PolarHBondContact O-N 3.29Å; D314-V317 VanDerWaalsContact O-N 3.13Å; D314-Y318 HydrophobicContact CB-CD2 4.08Å; D314-Y318 HydrophobicContact CB-CE2 3.83Å; D314-Y318 WeakPolarHBondContact O-CD2 3.46Å; D314-Y318 PolarHBondContact O-N 3.3Å |
| 315 | I | 77.5 | Confident | 69.3 | Low | 122 Ų | 122 | 115 Ų | 115 | 63% | 0.626 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60 | -49.5 | -176.9 | -61.4 | 172.2 | 0 | 0 | 0 | 111 | V317 Y318 E319 | I315-V317 VanDerWaalsContact C-N 3.27Å; I315-V317 PolarHBondContact O-N 3Å; I315-Y318 PolarHBondContact O-N 3.22Å; I315-E319 PolarHBondContact O-N 3.02Å |
| 316 | E | 82.4 | Confident | 72.3 | Confident | 121 Ų | 121 | 115.2 Ų | 115.2 | 57% | 0.565 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63 | -33.3 | 176.7 | -71.3 | -166.2 | -168.2 | 0 | 0 | 113.2 | D314 K320 | D314-E316 PolarHBondContact O-N 3.32Å; E316-K320 WeakPolarHBondContact O-CB 3.5Å; E316-K320 VanDerWaalsContact O-CD 3.3Å; E316-K320 WeakPolarHBondContact O-CD 3.47Å; E316-K320 WeakPolarHBondContact O-CG 3.4Å; E316-K320 PolarHBondContact O-N 3.44Å; E316-K320 IonicContact OE2-NZ 3.69Å; E316-K320 PolarHBondContact OE2-NZ 3.48Å |
| 317 | V | 85.8 | Confident | 75.1 | Confident | 88 Ų | 88 | 113.5 Ų | 113.5 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.3 | -43.7 | 179 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | C313 D314 I315 K320 K321 | C313-V317 WeakPolarHBondContact O-CG2 3.46Å; D314-V317 PolarHBondContact O-N 3.29Å; D314-V317 VanDerWaalsContact O-N 3.13Å; I315-V317 VanDerWaalsContact C-N 3.27Å; I315-V317 PolarHBondContact O-N 3Å; V317-K320 PolarHBondContact O-N 3.44Å; V317-K321 WeakPolarHBondContact O-CB 3.45Å; V317-K321 PolarHBondContact O-N 3.16Å |
| 318 | Y | 88.4 | Confident | 78 | Confident | 155 Ų | 155 | 109.4 Ų | 109.4 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.1 | -39.9 | 173.4 | -71.1 | -56.7 | 0 | 0 | 0 | 112.1 | D314 I315 K321 I322 | D314-Y318 HydrophobicContact CB-CD2 4.08Å; D314-Y318 HydrophobicContact CB-CE2 3.83Å; D314-Y318 WeakPolarHBondContact O-CD2 3.46Å; D314-Y318 PolarHBondContact O-N 3.3Å; I315-Y318 PolarHBondContact O-N 3.22Å; Y318-K321 CarbonylContact O-C 3.59Å; Y318-K321 PolarHBondContact O-N 2.84Å; Y318-I322 WeakPolarHBondContact O-CB 3.14Å; Y318-I322 VanDerWaalsContact O-CG1 3.25Å; Y318-I322 WeakPolarHBondContact O-CG1 3.38Å; Y318-I322 PolarHBondContact O-N 3.08Å |
| 319 | E | 89.3 | Confident | 80.7 | Confident | 90 Ų | 90 | 111.9 Ų | 111.9 | 42% | 0.421 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.4 | -46.5 | 172.2 | -81.3 | -168.2 | -153.7 | 0 | 0 | 112.9 | I315 K321 I322 K323 | I315-E319 PolarHBondContact O-N 3.02Å; E319-K321 VanDerWaalsContact C-N 3.26Å; E319-K321 PolarHBondContact O-N 3.31Å; E319-I322 PolarHBondContact O-N 3.18Å; E319-K323 WeakPolarHBondContact O-CB 3.33Å; E319-K323 VanDerWaalsContact O-CG 3.32Å; E319-K323 WeakPolarHBondContact O-CG 3.46Å; E319-K323 PolarHBondContact O-N 3.36Å; E319-K323 IonicContact OE2-NZ 2.74Å; E319-K323 PolarHBondContact OE2-NZ 3.26Å |
| 320 | K | 92.3 | Very high | 82.8 | Confident | 128 Ų | 128 | 113.2 Ų | 113.2 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.8 | -38.2 | 176 | -73.6 | 160.1 | -174.5 | 155.3 | 0 | 110.5 | E316 V317 L324 | E316-K320 WeakPolarHBondContact O-CB 3.5Å; E316-K320 VanDerWaalsContact O-CD 3.3Å; E316-K320 WeakPolarHBondContact O-CD 3.47Å; E316-K320 WeakPolarHBondContact O-CG 3.4Å; E316-K320 PolarHBondContact O-N 3.44Å; E316-K320 IonicContact OE2-NZ 3.69Å; E316-K320 PolarHBondContact OE2-NZ 3.48Å; V317-K320 PolarHBondContact O-N 3.44Å; K320-L324 WeakPolarHBondContact O-CB 3.44Å; K320-L324 PolarHBondContact O-N 2.97Å |
| 321 | K | 93.4 | Very high | 85.2 | Confident | 104 Ų | 104 | 112.2 Ų | 112.2 | 45% | 0.452 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 175.3 | -176.2 | 58.2 | 176.7 | 176.6 | 0 | 113 | V317 Y318 E319 L324 L325 | V317-K321 WeakPolarHBondContact O-CB 3.45Å; V317-K321 PolarHBondContact O-N 3.16Å; Y318-K321 CarbonylContact O-C 3.59Å; Y318-K321 PolarHBondContact O-N 2.84Å; E319-K321 VanDerWaalsContact C-N 3.26Å; E319-K321 PolarHBondContact O-N 3.31Å; K321-L324 PolarHBondContact O-N 3.48Å; K321-L325 HydrophobicContact CD-CD1 4.37Å; K321-L325 HydrophobicContact CD-CG 4.38Å; K321-L325 HydrophobicContact CG-CD1 4.15Å; K321-L325 WeakPolarHBondContact O-CB 3.27Å; K321-L325 VanDerWaalsContact O-CG 3.31Å; K321-L325 WeakPolarHBondContact O-CG 3.46Å; K321-L325 PolarHBondContact O-N 3.42Å |
| 322 | I | 93.6 | Very high | 87.6 | Confident | 91 Ų | 91 | 109 Ų | 109 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -51.4 | 174.8 | -71.2 | 162.2 | 0 | 0 | 0 | 109.6 | Y318 E319 L324 L325 E326 | Y318-I322 WeakPolarHBondContact O-CB 3.14Å; Y318-I322 VanDerWaalsContact O-CG1 3.25Å; Y318-I322 WeakPolarHBondContact O-CG1 3.38Å; Y318-I322 PolarHBondContact O-N 3.08Å; E319-I322 PolarHBondContact O-N 3.18Å; I322-L324 PolarHBondContact O-N 2.85Å; I322-L325 PolarHBondContact O-N 2.89Å; I322-E326 HydrophobicContact CG2-CG 4.25Å; I322-E326 WeakPolarHBondContact O-CB 3.33Å; I322-E326 WeakPolarHBondContact O-CG 3.45Å; I322-E326 PolarHBondContact O-N 3.08Å |
| 323 | K | 95.3 | Very high | 89.7 | Confident | 119 Ų | 119 | 108.6 Ų | 108.6 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.7 | -37.4 | 177 | -71.1 | 162.5 | -177 | 158.7 | 0 | 112.2 | E319 K327 | E319-K323 WeakPolarHBondContact O-CB 3.33Å; E319-K323 VanDerWaalsContact O-CG 3.32Å; E319-K323 WeakPolarHBondContact O-CG 3.46Å; E319-K323 PolarHBondContact O-N 3.36Å; E319-K323 IonicContact OE2-NZ 2.74Å; E319-K323 PolarHBondContact OE2-NZ 3.26Å; K323-K327 PolarHBondContact O-N 3.14Å |
| 324 | L | 94.8 | Very high | 91.8 | Very high | 84 Ų | 84 | 107.7 Ų | 107.7 | 44% | 0.44 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 174.1 | -178.2 | 62.8 | 0 | 0 | 0 | 112.7 | K320 K321 I322 K327 Q328 | K320-L324 WeakPolarHBondContact O-CB 3.44Å; K320-L324 PolarHBondContact O-N 2.97Å; K321-L324 PolarHBondContact O-N 3.48Å; I322-L324 PolarHBondContact O-N 2.85Å; L324-K327 PolarHBondContact O-N 3.37Å; L324-Q328 WeakPolarHBondContact O-CG 3.38Å; L324-Q328 PolarHBondContact O-N 3.49Å |
| 325 | L | 95.7 | Very high | 93.3 | Very high | 86 Ų | 86 | 108.7 Ų | 108.7 | 45% | 0.45 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 176.9 | -72.8 | 168.5 | 0 | 0 | 0 | 112 | K321 I322 Q328 R329 | K321-L325 HydrophobicContact CD-CD1 4.37Å; K321-L325 HydrophobicContact CD-CG 4.38Å; K321-L325 HydrophobicContact CG-CD1 4.15Å; K321-L325 WeakPolarHBondContact O-CB 3.27Å; K321-L325 VanDerWaalsContact O-CG 3.31Å; K321-L325 WeakPolarHBondContact O-CG 3.46Å; K321-L325 PolarHBondContact O-N 3.42Å; I322-L325 PolarHBondContact O-N 2.89Å; L325-Q328 PolarHBondContact O-N 3.31Å; L325-R329 WeakPolarHBondContact O-CB 3.45Å; L325-R329 PolarHBondContact O-N 3.15Å |
| 326 | E | 95.4 | Very high | 94.3 | Very high | 99 Ų | 99 | 107 Ų | 107 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 172.4 | -74.1 | 178 | 166.8 | 0 | 0 | 111.9 | I322 R329 K330 | I322-E326 HydrophobicContact CG2-CG 4.25Å; I322-E326 WeakPolarHBondContact O-CB 3.33Å; I322-E326 WeakPolarHBondContact O-CG 3.45Å; I322-E326 PolarHBondContact O-N 3.08Å; E326-R329 PolarHBondContact O-N 3.04Å; E326-K330 WeakPolarHBondContact O-CG 3.41Å; E326-K330 PolarHBondContact O-N 2.87Å |
| 327 | K | 96 | Very high | 95 | Very high | 125 Ų | 125 | 106.2 Ų | 106.2 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -51.6 | 172.3 | -170.2 | -169.9 | 173.2 | -171.3 | 0 | 110.5 | K323 L324 R329 K330 D331 | K323-K327 PolarHBondContact O-N 3.14Å; L324-K327 PolarHBondContact O-N 3.37Å; K327-R329 VanDerWaalsContact C-N 3.26Å; K327-R329 PolarHBondContact O-N 3.48Å; K327-K330 WeakPolarHBondContact O-CA 3.39Å; K327-K330 WeakPolarHBondContact O-CB 3.45Å; K327-K330 PolarHBondContact O-N 3.36Å; K327-D331 WeakPolarHBondContact CE-OD2 3.31Å; K327-D331 VanDerWaalsContact O-CG 3.22Å; K327-D331 PolarHBondContact O-N 2.97Å |
| 328 | Q | 97.2 | Very high | 95.6 | Very high | 96 Ų | 96 | 107 Ų | 107 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.3 | -39.6 | 177.4 | -72.8 | 178.5 | -41.1 | 0 | 0 | 112.2 | L324 L325 D331 V332 | L324-Q328 WeakPolarHBondContact O-CG 3.38Å; L324-Q328 PolarHBondContact O-N 3.49Å; L325-Q328 PolarHBondContact O-N 3.31Å; Q328-D331 PolarHBondContact O-N 2.95Å; Q328-V332 WeakPolarHBondContact O-CB 3.45Å; Q328-V332 VanDerWaalsContact O-CG2 3.28Å; Q328-V332 WeakPolarHBondContact O-CG2 3.5Å; Q328-V332 PolarHBondContact O-N 2.99Å |
| 329 | R | 97.6 | Very high | 96 | Very high | 184 Ų | 184 | 107.8 Ų | 107.8 | 69% | 0.694 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 173.7 | -177.9 | -175.9 | 174.2 | -150.1 | -2.7 | 112.2 | L325 E326 K327 L333 | L325-R329 WeakPolarHBondContact O-CB 3.45Å; L325-R329 PolarHBondContact O-N 3.15Å; E326-R329 PolarHBondContact O-N 3.04Å; K327-R329 VanDerWaalsContact C-N 3.26Å; K327-R329 PolarHBondContact O-N 3.48Å; R329-L333 HydrophobicContact CG-CD1 4.2Å; R329-L333 WeakPolarHBondContact O-CB 3.22Å; R329-L333 VanDerWaalsContact O-CG 3.28Å; R329-L333 WeakPolarHBondContact O-CG 3.37Å; R329-L333 PolarHBondContact O-N 3.19Å |
| 330 | K | 97.3 | Very high | 96.5 | Very high | 142 Ų | 142 | 107.1 Ų | 107.1 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 176.7 | -73.7 | 168.9 | -179.7 | 172.9 | 0 | 111.4 | E326 K327 V332 L333 E334 | E326-K330 WeakPolarHBondContact O-CG 3.41Å; E326-K330 PolarHBondContact O-N 2.87Å; K327-K330 WeakPolarHBondContact O-CA 3.39Å; K327-K330 WeakPolarHBondContact O-CB 3.45Å; K327-K330 PolarHBondContact O-N 3.36Å; K330-V332 VanDerWaalsContact C-N 3.35Å; K330-V332 PolarHBondContact O-N 2.9Å; K330-L333 PolarHBondContact O-N 3.46Å; K330-E334 PolarHBondContact O-N 3.5Å |
| 331 | D | 96.4 | Very high | 96.7 | Very high | 79 Ų | 79 | 105.7 Ų | 105.7 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 179.5 | -61.1 | -14.7 | 0 | 0 | 0 | 110.5 | K327 Q328 E334 V335 | K327-D331 WeakPolarHBondContact CE-OD2 3.31Å; K327-D331 VanDerWaalsContact O-CG 3.22Å; K327-D331 PolarHBondContact O-N 2.97Å; Q328-D331 PolarHBondContact O-N 2.95Å; D331-E334 PolarHBondContact O-N 3.45Å; D331-V335 WeakPolarHBondContact O-CG2 3.39Å; D331-V335 PolarHBondContact O-N 2.89Å |
| 332 | V | 97.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 107 Ų | 107 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 174.3 | 169.4 | 0 | 0 | 0 | 0 | 112.6 | Q328 K330 V335 N336 | Q328-V332 WeakPolarHBondContact O-CB 3.45Å; Q328-V332 VanDerWaalsContact O-CG2 3.28Å; Q328-V332 WeakPolarHBondContact O-CG2 3.5Å; Q328-V332 PolarHBondContact O-N 2.99Å; K330-V332 VanDerWaalsContact C-N 3.35Å; K330-V332 PolarHBondContact O-N 2.9Å; V332-V335 PolarHBondContact O-N 2.72Å; V332-N336 VanDerWaalsContact O-CB 3.3Å; V332-N336 WeakPolarHBondContact O-CB 3.38Å; V332-N336 PolarHBondContact O-N 3.32Å |
| 333 | L | 97.7 | Very high | 97.1 | Very high | 95 Ų | 95 | 108.8 Ų | 108.8 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 176.2 | -76.1 | 169 | 0 | 0 | 0 | 112.1 | R329 K330 N336 K337 | R329-L333 HydrophobicContact CG-CD1 4.2Å; R329-L333 WeakPolarHBondContact O-CB 3.22Å; R329-L333 VanDerWaalsContact O-CG 3.28Å; R329-L333 WeakPolarHBondContact O-CG 3.37Å; R329-L333 PolarHBondContact O-N 3.19Å; K330-L333 PolarHBondContact O-N 3.46Å; L333-N336 PolarHBondContact O-N 3.44Å; L333-K337 WeakPolarHBondContact O-CB 3.5Å; L333-K337 PolarHBondContact O-N 2.95Å |
| 334 | E | 97.7 | Very high | 97.3 | Very high | 77 Ų | 77 | 107.4 Ų | 107.4 | 36% | 0.36 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 176.7 | -169.9 | 59.6 | -147.5 | 0 | 0 | 111.6 | K330 D331 N336 K337 Q338 | K330-E334 PolarHBondContact O-N 3.5Å; D331-E334 PolarHBondContact O-N 3.45Å; E334-N336 PolarHBondContact O-N 3.38Å; E334-K337 VanDerWaalsContact CD-NZ 3.25Å; E334-K337 PolarHBondContact O-N 3.12Å; E334-K337 IonicContact OE1-NZ 3.4Å; E334-K337 PolarHBondContact OE1-NZ 2.91Å; E334-K337 IonicContact OE2-NZ 3.54Å; E334-K337 PolarHBondContact OE2-NZ 3.46Å; E334-Q338 WeakPolarHBondContact O-CB 3.34Å; E334-Q338 VanDerWaalsContact O-CG 3.3Å; E334-Q338 WeakPolarHBondContact O-CG 3.23Å; E334-Q338 PolarHBondContact O-N 3.39Å |
| 335 | V | 97.9 | Very high | 97.4 | Very high | 95 Ų | 95 | 106.1 Ų | 106.1 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -42 | 172.1 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | D331 V332 Q338 W339 | D331-V335 WeakPolarHBondContact O-CG2 3.39Å; D331-V335 PolarHBondContact O-N 2.89Å; V332-V335 PolarHBondContact O-N 2.72Å; V335-Q338 PolarHBondContact O-N 2.89Å; V335-W339 WeakPolarHBondContact O-CB 3.45Å; V335-W339 PolarHBondContact O-N 3.34Å |
| 336 | N | 97.9 | Very high | 97.5 | Very high | 88 Ų | 88 | 106.1 Ų | 106.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.5 | -177.9 | -100.8 | 0 | 0 | 0 | 111.7 | V332 L333 E334 Q338 W339 D340 | V332-N336 VanDerWaalsContact O-CB 3.3Å; V332-N336 WeakPolarHBondContact O-CB 3.38Å; V332-N336 PolarHBondContact O-N 3.32Å; L333-N336 PolarHBondContact O-N 3.44Å; E334-N336 PolarHBondContact O-N 3.38Å; N336-Q338 PolarHBondContact O-N 2.89Å; N336-W339 WeakPolarHBondContact O-CB 3.42Å; N336-W339 PolarHBondContact O-N 3.35Å; N336-D340 PolarHBondContact O-N 3.49Å |
| 337 | K | 98.2 | Very high | 97.6 | Very high | 103 Ų | 103 | 105.9 Ų | 105.9 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 173.7 | 174 | -178.9 | 155.9 | -127.5 | 0 | 112.8 | L333 E334 D340 I341 | L333-K337 WeakPolarHBondContact O-CB 3.5Å; L333-K337 PolarHBondContact O-N 2.95Å; E334-K337 VanDerWaalsContact CD-NZ 3.25Å; E334-K337 PolarHBondContact O-N 3.12Å; E334-K337 IonicContact OE1-NZ 3.4Å; E334-K337 PolarHBondContact OE1-NZ 2.91Å; E334-K337 IonicContact OE2-NZ 3.54Å; E334-K337 PolarHBondContact OE2-NZ 3.46Å; K337-D340 PolarHBondContact O-N 3.33Å; K337-I341 HydrophobicContact CG-CD1 4.18Å; K337-I341 WeakPolarHBondContact O-CD1 3.5Å; K337-I341 VanDerWaalsContact O-CG1 3.28Å; K337-I341 WeakPolarHBondContact O-CG1 3.41Å; K337-I341 PolarHBondContact O-N 2.94Å |
| 338 | Q | 97.6 | Very high | 97.7 | Very high | 105 Ų | 105 | 103.3 Ų | 103.3 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 174.8 | -74.3 | 176.6 | 13.8 | 0 | 0 | 111.6 | E334 V335 N336 I341 Q342 | E334-Q338 WeakPolarHBondContact O-CB 3.34Å; E334-Q338 VanDerWaalsContact O-CG 3.3Å; E334-Q338 WeakPolarHBondContact O-CG 3.23Å; E334-Q338 PolarHBondContact O-N 3.39Å; V335-Q338 PolarHBondContact O-N 2.89Å; N336-Q338 PolarHBondContact O-N 2.89Å; Q338-I341 PolarHBondContact O-N 3.27Å; Q338-Q342 WeakPolarHBondContact O-CG 3.26Å; Q338-Q342 PolarHBondContact O-N 3.47Å |
| 339 | W | 97.9 | Very high | 97.7 | Very high | 171 Ų | 171 | 103.4 Ų | 103.4 | 65% | 0.648 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60 | -46.4 | 173.5 | -178.7 | -94.4 | 0 | 0 | 0 | 111.7 | V335 N336 I341 Q342 W343 | V335-W339 WeakPolarHBondContact O-CB 3.45Å; V335-W339 PolarHBondContact O-N 3.34Å; N336-W339 WeakPolarHBondContact O-CB 3.42Å; N336-W339 PolarHBondContact O-N 3.35Å; W339-I341 VanDerWaalsContact C-N 3.33Å; W339-I341 PolarHBondContact O-N 3.4Å; W339-Q342 PolarHBondContact O-N 3.44Å; W339-W343 WeakPolarHBondContact O-CB 3.5Å; W339-W343 PolarHBondContact O-N 3.36Å |
| 340 | D | 98.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 99.7 Ų | 99.7 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 175.8 | -77.8 | -15.5 | 0 | 0 | 0 | 112.2 | N336 K337 N344 | N336-D340 PolarHBondContact O-N 3.49Å; K337-D340 PolarHBondContact O-N 3.33Å; D340-N344 VanDerWaalsContact O-CB 3.27Å; D340-N344 WeakPolarHBondContact O-CB 3.42Å; D340-N344 VanDerWaalsContact O-CG 3.29Å; D340-N344 PolarHBondContact O-N 2.99Å; D340-N344 PolarHBondContact O-ND2 3.49Å |
| 341 | I | 97.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 176.7 | -69.4 | 163.5 | 0 | 0 | 0 | 110.7 | K337 Q338 W339 N344 A345 | K337-I341 HydrophobicContact CG-CD1 4.18Å; K337-I341 WeakPolarHBondContact O-CD1 3.5Å; K337-I341 VanDerWaalsContact O-CG1 3.28Å; K337-I341 WeakPolarHBondContact O-CG1 3.41Å; K337-I341 PolarHBondContact O-N 2.94Å; Q338-I341 PolarHBondContact O-N 3.27Å; W339-I341 VanDerWaalsContact C-N 3.33Å; W339-I341 PolarHBondContact O-N 3.4Å; I341-N344 PolarHBondContact O-N 3.05Å; I341-A345 VanDerWaalsContact O-CB 3.3Å; I341-A345 WeakPolarHBondContact O-CB 3.36Å; I341-A345 PolarHBondContact O-N 3.48Å |
| 342 | Q | 97.2 | Very high | 97.8 | Very high | 130 Ų | 130 | 99.1 Ų | 99.1 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | -179.9 | -68 | -63.2 | -20.8 | 0 | 0 | 112 | Q338 W339 A345 M346 | Q338-Q342 WeakPolarHBondContact O-CG 3.26Å; Q338-Q342 PolarHBondContact O-N 3.47Å; W339-Q342 PolarHBondContact O-N 3.44Å; Q342-A345 PolarHBondContact O-N 2.94Å; Q342-M346 VanDerWaalsContact O-CB 3.27Å; Q342-M346 WeakPolarHBondContact O-CB 2.78Å; Q342-M346 PolarHBondContact O-N 3.17Å |
| 343 | W | 98.1 | Very high | 97.8 | Very high | 129 Ų | 129 | 98.2 Ų | 98.2 | 49% | 0.489 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 176.5 | 175.9 | -104.1 | 0 | 0 | 0 | 111.8 | W339 M346 K347 | W339-W343 WeakPolarHBondContact O-CB 3.5Å; W339-W343 PolarHBondContact O-N 3.36Å; W343-M346 HydrophobicContact CE3-CE 3.68Å; W343-M346 HydrophobicContact CZ3-CE 3.8Å; W343-M346 PolarHBondContact O-N 2.94Å; W343-K347 WeakPolarHBondContact O-CB 3.42Å; W343-K347 PolarHBondContact O-N 3.47Å |
| 344 | N | 98.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 97.3 Ų | 97.3 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 178.9 | -74.3 | -52.8 | 0 | 0 | 0 | 112.2 | D340 I341 S348 | D340-N344 VanDerWaalsContact O-CB 3.27Å; D340-N344 WeakPolarHBondContact O-CB 3.42Å; D340-N344 VanDerWaalsContact O-CG 3.29Å; D340-N344 PolarHBondContact O-N 2.99Å; D340-N344 PolarHBondContact O-ND2 3.49Å; I341-N344 PolarHBondContact O-N 3.05Å; N344-S348 VanDerWaalsContact O-CB 3.27Å; N344-S348 WeakPolarHBondContact O-CB 3.49Å; N344-S348 PolarHBondContact O-N 2.9Å |
| 345 | A | 97.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 96.9 Ų | 96.9 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I341 Q342 S348 Q349 | I341-A345 VanDerWaalsContact O-CB 3.3Å; I341-A345 WeakPolarHBondContact O-CB 3.36Å; I341-A345 PolarHBondContact O-N 3.48Å; Q342-A345 PolarHBondContact O-N 2.94Å; A345-S348 PolarHBondContact O-N 2.9Å; A345-Q349 WeakPolarHBondContact O-CB 3.49Å; A345-Q349 PolarHBondContact O-N 2.8Å |
| 346 | M | 98.3 | Very high | 97.7 | Very high | 87 Ų | 87 | 95.3 Ų | 95.3 | 43% | 0.429 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 177 | -178.6 | 174.5 | 64.9 | 0 | 0 | 111.6 | Q342 W343 Q349 F350 | Q342-M346 VanDerWaalsContact O-CB 3.27Å; Q342-M346 WeakPolarHBondContact O-CB 2.78Å; Q342-M346 PolarHBondContact O-N 3.17Å; W343-M346 HydrophobicContact CE3-CE 3.68Å; W343-M346 HydrophobicContact CZ3-CE 3.8Å; W343-M346 PolarHBondContact O-N 2.94Å; M346-Q349 PolarHBondContact O-N 3.32Å; M346-F350 HydrophobicContact CG-CD2 3.78Å; M346-F350 HydrophobicContact CG-CE2 3.63Å; M346-F350 VanDerWaalsContact O-CD2 3.24Å; M346-F350 WeakPolarHBondContact O-CD2 3.48Å; M346-F350 PolarHBondContact O-N 2.99Å; M346-F350 HydrophobicContact SD-CE2 4.22Å |
| 347 | K | 97.7 | Very high | 97.7 | Very high | 93 Ų | 93 | 96.1 Ų | 96.1 | 40% | 0.404 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 176.7 | 179 | -177.1 | 167 | -172.3 | 0 | 111.2 | W343 Q349 F350 E351 | W343-K347 WeakPolarHBondContact O-CB 3.42Å; W343-K347 PolarHBondContact O-N 3.47Å; K347-Q349 VanDerWaalsContact C-N 3.32Å; K347-Q349 PolarHBondContact O-N 3.43Å; K347-F350 PolarHBondContact O-N 3.24Å; K347-F350 VanDerWaalsContact O-N 3.15Å; K347-E351 VanDerWaalsContact CE-CD 3.46Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 HydrophobicContact CG-CG 4.39Å; K347-E351 IonicContact NZ-OE1 2.81Å; K347-E351 WeakPolarHBondContact O-CG 3.43Å; K347-E351 PolarHBondContact O-N 3.48Å |
| 348 | S | 97 | Very high | 97.6 | Very high | 71 Ų | 71 | 99.5 Ų | 99.5 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 112 | N344 A345 F350 E351 Q352 | N344-S348 VanDerWaalsContact O-CB 3.27Å; N344-S348 WeakPolarHBondContact O-CB 3.49Å; N344-S348 PolarHBondContact O-N 2.9Å; A345-S348 PolarHBondContact O-N 2.9Å; S348-F350 PolarHBondContact O-N 2.83Å; S348-E351 PolarHBondContact O-N 2.93Å; S348-Q352 WeakPolarHBondContact O-CB 3.23Å; S348-Q352 PolarHBondContact O-N 3.48Å |
| 349 | Q | 97.9 | Very high | 97.5 | Very high | 99 Ų | 99 | 99.9 Ų | 99.9 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.9 | -169.3 | -167.4 | -44.9 | 0 | 0 | 112.1 | A345 M346 K347 K353 | A345-Q349 WeakPolarHBondContact O-CB 3.49Å; A345-Q349 PolarHBondContact O-N 2.8Å; M346-Q349 PolarHBondContact O-N 3.32Å; K347-Q349 VanDerWaalsContact C-N 3.32Å; K347-Q349 PolarHBondContact O-N 3.43Å; Q349-K353 WeakPolarHBondContact O-CB 3.32Å; Q349-K353 PolarHBondContact O-N 3.36Å |
| 350 | F | 98.1 | Very high | 97.4 | Very high | 106 Ų | 106 | 99.8 Ų | 99.8 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74 | -37.3 | 177.7 | -78.2 | -64 | 0 | 0 | 0 | 113 | M346 K347 S348 Q352 K353 I354 | M346-F350 HydrophobicContact CG-CD2 3.78Å; M346-F350 HydrophobicContact CG-CE2 3.63Å; M346-F350 VanDerWaalsContact O-CD2 3.24Å; M346-F350 WeakPolarHBondContact O-CD2 3.48Å; M346-F350 PolarHBondContact O-N 2.99Å; M346-F350 HydrophobicContact SD-CE2 4.22Å; K347-F350 PolarHBondContact O-N 3.24Å; K347-F350 VanDerWaalsContact O-N 3.15Å; S348-F350 PolarHBondContact O-N 2.83Å; F350-Q352 VanDerWaalsContact C-N 3.32Å; F350-Q352 PolarHBondContact O-N 3.19Å; F350-K353 PolarHBondContact O-N 3.01Å; F350-I354 WeakPolarHBondContact O-CB 3.42Å; F350-I354 WeakPolarHBondContact O-CD1 3.38Å; F350-I354 VanDerWaalsContact O-CG1 3.24Å; F350-I354 WeakPolarHBondContact O-CG1 3.27Å; F350-I354 PolarHBondContact O-N 2.63Å |
| 351 | E | 98.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 101 Ų | 101 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 172.5 | -73.9 | 175.5 | 156.1 | 0 | 0 | 110.8 | K347 S348 I354 T355 | K347-E351 VanDerWaalsContact CE-CD 3.46Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 HydrophobicContact CG-CG 4.39Å; K347-E351 IonicContact NZ-OE1 2.81Å; K347-E351 WeakPolarHBondContact O-CG 3.43Å; K347-E351 PolarHBondContact O-N 3.48Å; S348-E351 PolarHBondContact O-N 2.93Å; E351-I354 PolarHBondContact O-N 3.13Å; E351-T355 PolarHBondContact O-N 2.9Å; E351-T355 PolarHBondContact O-OG1 2.87Å |
| 352 | Q | 97.4 | Very high | 97.1 | Very high | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 173.2 | -170 | 65.7 | 53.4 | 0 | 0 | 112.4 | S348 F350 I354 T355 D356 | S348-Q352 WeakPolarHBondContact O-CB 3.23Å; S348-Q352 PolarHBondContact O-N 3.48Å; F350-Q352 VanDerWaalsContact C-N 3.32Å; F350-Q352 PolarHBondContact O-N 3.19Å; Q352-I354 PolarHBondContact O-N 3.01Å; Q352-T355 WeakPolarHBondContact CA-OG1 3.29Å; Q352-T355 PolarHBondContact NE2-OG1 2.68Å; Q352-T355 PolarHBondContact O-N 3.27Å; Q352-T355 VanDerWaalsContact O-N 3.13Å; Q352-T355 PolarHBondContact O-OG1 2.92Å; Q352-D356 PolarHBondContact NE2-OD1 3.07Å; Q352-D356 WeakPolarHBondContact O-CB 3.29Å; Q352-D356 PolarHBondContact O-N 2.96Å |
| 353 | K | 98.1 | Very high | 96.8 | Very high | 82 Ų | 82 | 97.1 Ų | 97.1 | 36% | 0.357 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -35.1 | 176.5 | -164.6 | 176 | -175 | -178.3 | 0 | 111.1 | E249 Q349 F350 L357 | E249-K353 IonicContact OE1-NZ 3.52Å; E249-K353 PolarHBondContact OE1-NZ 3.31Å; E249-K353 IonicContact OE2-NZ 3.24Å; Q349-K353 WeakPolarHBondContact O-CB 3.32Å; Q349-K353 PolarHBondContact O-N 3.36Å; F350-K353 PolarHBondContact O-N 3.01Å; K353-L357 HydrophobicContact CG-CD1 4.32Å; K353-L357 WeakPolarHBondContact O-CB 3.49Å; K353-L357 WeakPolarHBondContact O-CD1 3.41Å; K353-L357 WeakPolarHBondContact O-CG 3.25Å; K353-L357 PolarHBondContact O-N 3.42Å; K353-L357 VanDerWaalsContact O-N 3.08Å |
| 354 | I | 97.7 | Very high | 96.4 | Very high | 77 Ų | 77 | 94.3 Ų | 94.3 | 40% | 0.395 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.2 | -42.5 | 175.3 | -70.6 | 164.1 | 0 | 0 | 0 | 111.7 | F350 E351 Q352 R358 | F350-I354 WeakPolarHBondContact O-CB 3.42Å; F350-I354 WeakPolarHBondContact O-CD1 3.38Å; F350-I354 VanDerWaalsContact O-CG1 3.24Å; F350-I354 WeakPolarHBondContact O-CG1 3.27Å; F350-I354 PolarHBondContact O-N 2.63Å; E351-I354 PolarHBondContact O-N 3.13Å; Q352-I354 PolarHBondContact O-N 3.01Å; I354-R358 WeakPolarHBondContact O-CB 3.35Å; I354-R358 VanDerWaalsContact O-CG 3.28Å; I354-R358 WeakPolarHBondContact O-CG 3.38Å; I354-R358 PolarHBondContact O-N 2.88Å |
| 355 | T | 96.6 | Very high | 96.2 | Very high | 67 Ų | 67 | 95.3 Ų | 95.3 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 176 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | E351 Q352 L357 R358 Q359 | E351-T355 PolarHBondContact O-N 2.9Å; E351-T355 PolarHBondContact O-OG1 2.87Å; Q352-T355 WeakPolarHBondContact CA-OG1 3.29Å; Q352-T355 PolarHBondContact NE2-OG1 2.68Å; Q352-T355 PolarHBondContact O-N 3.27Å; Q352-T355 VanDerWaalsContact O-N 3.13Å; Q352-T355 PolarHBondContact O-OG1 2.92Å; T355-L357 PolarHBondContact O-N 3.33Å; T355-R358 PolarHBondContact O-N 3.22Å; T355-Q359 WeakPolarHBondContact O-CB 3.38Å; T355-Q359 PolarHBondContact O-N 2.9Å |
| 356 | D | 96.6 | Very high | 96.1 | Very high | 63 Ų | 63 | 98.6 Ų | 98.6 | 34% | 0.337 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 178.7 | -65.1 | -1.8 | 0 | 0 | 0 | 111.5 | Q352 Q359 R360 | Q352-D356 PolarHBondContact NE2-OD1 3.07Å; Q352-D356 WeakPolarHBondContact O-CB 3.29Å; Q352-D356 PolarHBondContact O-N 2.96Å; D356-Q359 PolarHBondContact O-N 3.37Å; D356-R360 WeakPolarHBondContact O-CB 3.3Å; D356-R360 VanDerWaalsContact O-CG 3.29Å; D356-R360 WeakPolarHBondContact O-CG 3.48Å; D356-R360 PolarHBondContact O-N 2.86Å |
| 357 | L | 97.9 | Very high | 95.8 | Very high | 105 Ų | 105 | 98 Ų | 98 | 55% | 0.55 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 176.4 | -74.3 | 171.6 | 0 | 0 | 0 | 112.3 | K353 T355 L361 | K353-L357 HydrophobicContact CG-CD1 4.32Å; K353-L357 WeakPolarHBondContact O-CB 3.49Å; K353-L357 WeakPolarHBondContact O-CD1 3.41Å; K353-L357 WeakPolarHBondContact O-CG 3.25Å; K353-L357 PolarHBondContact O-N 3.42Å; K353-L357 VanDerWaalsContact O-N 3.08Å; T355-L357 PolarHBondContact O-N 3.33Å; L357-L361 WeakPolarHBondContact O-CB 3.48Å; L357-L361 PolarHBondContact O-N 3.33Å |
| 358 | R | 95.2 | Very high | 95.2 | Very high | 174 Ų | 174 | 96.9 Ų | 96.9 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 174.5 | -75.5 | 171.3 | 177.8 | 162.5 | 1.1 | 111.9 | I354 T355 L361 A362 | I354-R358 WeakPolarHBondContact O-CB 3.35Å; I354-R358 VanDerWaalsContact O-CG 3.28Å; I354-R358 WeakPolarHBondContact O-CG 3.38Å; I354-R358 PolarHBondContact O-N 2.88Å; T355-R358 PolarHBondContact O-N 3.22Å; R358-L361 PolarHBondContact O-N 2.97Å; R358-A362 PolarHBondContact O-N 3.44Å |
| 359 | Q | 96.4 | Very high | 94.9 | Very high | 112 Ų | 112 | 98.8 Ų | 98.8 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -50.8 | 175.7 | 177.8 | 174.1 | -12 | 0 | 0 | 111.1 | T355 D356 L361 A362 E363 | T355-Q359 WeakPolarHBondContact O-CB 3.38Å; T355-Q359 PolarHBondContact O-N 2.9Å; D356-Q359 PolarHBondContact O-N 3.37Å; Q359-L361 VanDerWaalsContact C-N 3.27Å; Q359-L361 PolarHBondContact O-N 2.98Å; Q359-A362 PolarHBondContact O-N 3.05Å; Q359-A362 VanDerWaalsContact O-N 3.08Å; Q359-E363 HydrophobicContact CG-CG 4.35Å; Q359-E363 VanDerWaalsContact CG-OE1 3.27Å; Q359-E363 WeakPolarHBondContact CG-OE1 3.28Å; Q359-E363 PolarHBondContact NE2-OE1 3.47Å; Q359-E363 WeakPolarHBondContact O-CG 3.43Å; Q359-E363 PolarHBondContact O-N 3.36Å |
| 360 | R | 95.8 | Very high | 94.4 | Very high | 169 Ų | 169 | 99 Ų | 99 | 64% | 0.638 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.4 | -36.3 | 177.3 | -71.9 | 175.9 | -172.6 | -150.6 | 3.2 | 112.8 | D356 S364 | D356-R360 WeakPolarHBondContact O-CB 3.3Å; D356-R360 VanDerWaalsContact O-CG 3.29Å; D356-R360 WeakPolarHBondContact O-CG 3.48Å; D356-R360 PolarHBondContact O-N 2.86Å; R360-S364 VanDerWaalsContact O-CB 3.25Å; R360-S364 WeakPolarHBondContact O-CB 3.41Å; R360-S364 PolarHBondContact O-N 3.5Å |
| 361 | L | 93.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 98.8 Ų | 98.8 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 174.1 | 179.5 | 62 | 0 | 0 | 0 | 111.3 | L357 R358 Q359 S364 Q365 | L357-L361 WeakPolarHBondContact O-CB 3.48Å; L357-L361 PolarHBondContact O-N 3.33Å; R358-L361 PolarHBondContact O-N 2.97Å; Q359-L361 VanDerWaalsContact C-N 3.27Å; Q359-L361 PolarHBondContact O-N 2.98Å; L361-S364 PolarHBondContact O-N 3.08Å; L361-Q365 HydrophobicContact CD1-CG 4.35Å; L361-Q365 WeakPolarHBondContact O-CB 3.27Å; L361-Q365 VanDerWaalsContact O-CG 3.24Å; L361-Q365 WeakPolarHBondContact O-CG 3.42Å; L361-Q365 PolarHBondContact O-N 3.45Å |
| 362 | A | 95.5 | Very high | 93.4 | Very high | 53 Ų | 53 | 99.4 Ų | 99.4 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R358 Q359 Q365 K366 | R358-A362 PolarHBondContact O-N 3.44Å; Q359-A362 PolarHBondContact O-N 3.05Å; Q359-A362 VanDerWaalsContact O-N 3.08Å; A362-Q365 PolarHBondContact O-N 2.94Å; A362-K366 WeakPolarHBondContact O-CB 3.47Å; A362-K366 PolarHBondContact O-N 2.83Å |
| 363 | E | 91.1 | Very high | 92.8 | Very high | 96 Ų | 96 | 96.9 Ų | 96.9 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 173.8 | -72.1 | 168.4 | 176.9 | 0 | 0 | 111.1 | Q359 K366 T367 | Q359-E363 HydrophobicContact CG-CG 4.35Å; Q359-E363 VanDerWaalsContact CG-OE1 3.27Å; Q359-E363 WeakPolarHBondContact CG-OE1 3.28Å; Q359-E363 PolarHBondContact NE2-OE1 3.47Å; Q359-E363 WeakPolarHBondContact O-CG 3.43Å; Q359-E363 PolarHBondContact O-N 3.36Å; E363-K366 WeakPolarHBondContact O-CB 3.45Å; E363-K366 PolarHBondContact O-N 3.35Å; E363-T367 PolarHBondContact O-N 3Å; E363-T367 PolarHBondContact O-OG1 3.05Å; E363-T367 VanDerWaalsContact O-OG1 3.05Å |
| 364 | S | 89.4 | Confident | 92.2 | Very high | 69 Ų | 69 | 97.3 Ų | 97.3 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.7 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | R360 L361 K366 T367 V368 | R360-S364 VanDerWaalsContact O-CB 3.25Å; R360-S364 WeakPolarHBondContact O-CB 3.41Å; R360-S364 PolarHBondContact O-N 3.5Å; L361-S364 PolarHBondContact O-N 3.08Å; S364-K366 VanDerWaalsContact C-N 3.34Å; S364-K366 PolarHBondContact O-N 3.14Å; S364-T367 PolarHBondContact O-N 3.04Å; S364-V368 WeakPolarHBondContact O-CG2 3.43Å; S364-V368 PolarHBondContact O-N 3.36Å |
| 365 | Q | 94.6 | Very high | 91.6 | Very high | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.1 | -76.5 | 172.1 | -19.5 | 0 | 0 | 111.9 | L361 A362 V368 L369 | L361-Q365 HydrophobicContact CD1-CG 4.35Å; L361-Q365 WeakPolarHBondContact O-CB 3.27Å; L361-Q365 VanDerWaalsContact O-CG 3.24Å; L361-Q365 WeakPolarHBondContact O-CG 3.42Å; L361-Q365 PolarHBondContact O-N 3.45Å; A362-Q365 PolarHBondContact O-N 2.94Å; Q365-V368 PolarHBondContact O-N 2.99Å; Q365-L369 WeakPolarHBondContact O-CG 3.23Å; Q365-L369 PolarHBondContact O-N 3.11Å; Q365-L369 VanDerWaalsContact O-N 3.13Å |
| 366 | K | 95.6 | Very high | 91.2 | Very high | 126 Ų | 126 | 104.9 Ų | 104.9 | 55% | 0.548 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 174.5 | 178.2 | -177.8 | 166.2 | -176.3 | 0 | 111.4 | A362 E363 S364 V368 L369 E370 | A362-K366 WeakPolarHBondContact O-CB 3.47Å; A362-K366 PolarHBondContact O-N 2.83Å; E363-K366 WeakPolarHBondContact O-CB 3.45Å; E363-K366 PolarHBondContact O-N 3.35Å; S364-K366 VanDerWaalsContact C-N 3.34Å; S364-K366 PolarHBondContact O-N 3.14Å; K366-V368 VanDerWaalsContact C-N 3.31Å; K366-V368 PolarHBondContact O-N 3.45Å; K366-L369 PolarHBondContact O-N 3.16Å; K366-E370 WeakPolarHBondContact CE-OE1 3.42Å; K366-E370 IonicContact NZ-OE1 3.54Å; K366-E370 WeakPolarHBondContact O-CG 3.41Å; K366-E370 PolarHBondContact O-N 3.32Å |
| 367 | T | 91.5 | Very high | 90.6 | Very high | 73 Ų | 73 | 106 Ų | 106 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | E363 S364 E370 L371 | E363-T367 PolarHBondContact O-N 3Å; E363-T367 PolarHBondContact O-OG1 3.05Å; E363-T367 VanDerWaalsContact O-OG1 3.05Å; S364-T367 PolarHBondContact O-N 3.04Å; T367-E370 PolarHBondContact O-N 3.47Å; T367-L371 HydrophobicContact CG2-CD1 4.16Å; T367-L371 WeakPolarHBondContact O-CG 3.31Å; T367-L371 PolarHBondContact O-N 3.13Å |
| 368 | V | 85.9 | Confident | 90.2 | Very high | 70 Ų | 70 | 106.6 Ų | 106.6 | 42% | 0.424 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | S364 Q365 K366 E370 L371 E372 | S364-V368 WeakPolarHBondContact O-CG2 3.43Å; S364-V368 PolarHBondContact O-N 3.36Å; Q365-V368 PolarHBondContact O-N 2.99Å; K366-V368 VanDerWaalsContact C-N 3.31Å; K366-V368 PolarHBondContact O-N 3.45Å; V368-E370 VanDerWaalsContact C-N 3.32Å; V368-E370 PolarHBondContact O-N 2.85Å; V368-L371 PolarHBondContact O-N 2.92Å; V368-E372 HydrophobicContact CG1-CG 4.39Å; V368-E372 WeakPolarHBondContact O-CG 3.42Å; V368-E372 PolarHBondContact O-N 2.87Å |
| 369 | L | 90.5 | Very high | 89.7 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -38.2 | 177.9 | -68.8 | 169.6 | 0 | 0 | 0 | 112.6 | Q365 K366 E372 A373 | Q365-L369 WeakPolarHBondContact O-CG 3.23Å; Q365-L369 PolarHBondContact O-N 3.11Å; Q365-L369 VanDerWaalsContact O-N 3.13Å; K366-L369 PolarHBondContact O-N 3.16Å; L369-E372 PolarHBondContact O-N 3.33Å; L369-A373 WeakPolarHBondContact O-CB 3.32Å; L369-A373 PolarHBondContact O-N 2.86Å |
| 370 | E | 87.9 | Confident | 89.3 | Confident | 104 Ų | 104 | 103.5 Ų | 103.5 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.4 | -73.1 | 173.5 | 166.8 | 0 | 0 | 111.6 | K366 T367 V368 A373 E374 | K366-E370 WeakPolarHBondContact CE-OE1 3.42Å; K366-E370 IonicContact NZ-OE1 3.54Å; K366-E370 WeakPolarHBondContact O-CG 3.41Å; K366-E370 PolarHBondContact O-N 3.32Å; T367-E370 PolarHBondContact O-N 3.47Å; V368-E370 VanDerWaalsContact C-N 3.32Å; V368-E370 PolarHBondContact O-N 2.85Å; E370-A373 PolarHBondContact O-N 3.37Å; E370-E374 WeakPolarHBondContact O-CB 3.5Å; E370-E374 PolarHBondContact O-N 3.4Å |
| 371 | L | 86.4 | Confident | 88.8 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 175.7 | -70.7 | 171 | 0 | 0 | 0 | 112.9 | T367 V368 E374 R375 | T367-L371 HydrophobicContact CG2-CD1 4.16Å; T367-L371 WeakPolarHBondContact O-CG 3.31Å; T367-L371 PolarHBondContact O-N 3.13Å; V368-L371 PolarHBondContact O-N 2.92Å; L371-E374 PolarHBondContact O-N 3.33Å; L371-R375 WeakPolarHBondContact O-CB 3.5Å; L371-R375 PolarHBondContact O-N 2.93Å |
| 372 | E | 88.1 | Confident | 88.5 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 173.8 | -75.5 | 177.6 | 166.9 | 0 | 0 | 111.4 | V368 L369 E374 R375 E376 | V368-E372 HydrophobicContact CG1-CG 4.39Å; V368-E372 WeakPolarHBondContact O-CG 3.42Å; V368-E372 PolarHBondContact O-N 2.87Å; L369-E372 PolarHBondContact O-N 3.33Å; E372-E374 PolarHBondContact O-N 3.36Å; E372-R375 PolarHBondContact O-N 2.88Å; E372-E376 WeakPolarHBondContact O-CB 3.47Å; E372-E376 PolarHBondContact O-N 3.42Å |
| 373 | A | 85.5 | Confident | 88.3 | Confident | 55 Ų | 55 | 101.7 Ų | 101.7 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L369 E370 E376 Q377 | L369-A373 WeakPolarHBondContact O-CB 3.32Å; L369-A373 PolarHBondContact O-N 2.86Å; E370-A373 PolarHBondContact O-N 3.37Å; A373-E376 PolarHBondContact O-N 2.99Å; A373-Q377 WeakPolarHBondContact O-CB 3.39Å; A373-Q377 PolarHBondContact O-N 3.29Å |
| 374 | E | 85.1 | Confident | 88.4 | Confident | 91 Ų | 91 | 104.4 Ų | 104.4 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 177.7 | -155.7 | -158.4 | -167.3 | 0 | 0 | 112.1 | E370 L371 E372 R378 | E370-E374 WeakPolarHBondContact O-CB 3.5Å; E370-E374 PolarHBondContact O-N 3.4Å; L371-E374 PolarHBondContact O-N 3.33Å; E372-E374 PolarHBondContact O-N 3.36Å; E374-R378 WeakPolarHBondContact O-CG 3.37Å; E374-R378 PolarHBondContact O-N 2.94Å; E374-R378 IonicContact OE1-CZ 3.16Å; E374-R378 IonicContact OE1-NH1 3.9Å; E374-R378 IonicContact OE1-NH2 2.76Å; E374-R378 PolarHBondContact OE1-NH2 3.29Å; E374-R378 IonicContact OE2-CZ 3.21Å; E374-R378 IonicContact OE2-NH1 2.71Å; E374-R378 PolarHBondContact OE2-NH1 3.03Å; E374-R378 IonicContact OE2-NH2 3.77Å; E374-R378 PolarHBondContact OE2-NH2 2.94Å |
| 375 | R | 83.8 | Confident | 88.6 | Confident | 197 Ų | 197 | 107.6 Ų | 107.6 | 74% | 0.743 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 171.4 | 178.1 | -175.3 | 173.6 | -165.5 | -2.2 | 111.3 | L371 E372 Q377 R378 Q379 | L371-R375 WeakPolarHBondContact O-CB 3.5Å; L371-R375 PolarHBondContact O-N 2.93Å; E372-R375 PolarHBondContact O-N 2.88Å; R375-Q377 VanDerWaalsContact C-N 3.34Å; R375-R378 PolarHBondContact O-N 3.39Å; R375-Q379 PolarHBondContact O-N 3.41Å |
| 376 | E | 88.4 | Confident | 88.6 | Confident | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 179.5 | -156.3 | -162.5 | -167.3 | 0 | 0 | 111.6 | E372 A373 Q379 R380 | E372-E376 WeakPolarHBondContact O-CB 3.47Å; E372-E376 PolarHBondContact O-N 3.42Å; A373-E376 PolarHBondContact O-N 2.99Å; E376-Q379 WeakPolarHBondContact O-CB 3.46Å; E376-Q379 PolarHBondContact O-N 2.89Å; E376-R380 WeakPolarHBondContact O-CG 3.48Å; E376-R380 PolarHBondContact O-N 3.45Å; E376-R380 IonicContact OE1-CZ 2.83Å; E376-R380 IonicContact OE1-NH1 2.69Å; E376-R380 IonicContact OE1-NH2 2.85Å; E376-R380 PolarHBondContact OE1-NH2 3.04Å; E376-R380 IonicContact OE2-CZ 3.67Å; E376-R380 IonicContact OE2-NH1 3.9Å; E376-R380 PolarHBondContact OE2-NH1 3.35Å; E376-R380 IonicContact OE2-NH2 2.84Å; E376-R380 PolarHBondContact OE2-NH2 3.1Å |
| 377 | Q | 84.6 | Confident | 88.6 | Confident | 86 Ų | 86 | 107.6 Ų | 107.6 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 172.4 | -178.6 | 53.3 | 39.3 | 0 | 0 | 112 | A373 R375 Q379 R380 D381 | A373-Q377 WeakPolarHBondContact O-CB 3.39Å; A373-Q377 PolarHBondContact O-N 3.29Å; R375-Q377 VanDerWaalsContact C-N 3.34Å; Q377-Q379 VanDerWaalsContact C-N 3.28Å; Q377-Q379 PolarHBondContact O-N 3.05Å; Q377-R380 WeakPolarHBondContact O-CB 3.46Å; Q377-R380 PolarHBondContact O-N 3.35Å; Q377-D381 PolarHBondContact NE2-OD1 3.41Å; Q377-D381 PolarHBondContact NE2-OD2 3.47Å; Q377-D381 PolarHBondContact O-N 3.13Å |
| 378 | R | 89.8 | Confident | 88.8 | Confident | 119 Ų | 119 | 110.2 Ų | 110.2 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 174.1 | -73.7 | -177.8 | -173.2 | 96.7 | -2.3 | 111.9 | E374 R375 D381 Y382 | E374-R378 WeakPolarHBondContact O-CG 3.37Å; E374-R378 PolarHBondContact O-N 2.94Å; E374-R378 IonicContact OE1-CZ 3.16Å; E374-R378 IonicContact OE1-NH1 3.9Å; E374-R378 IonicContact OE1-NH2 2.76Å; E374-R378 PolarHBondContact OE1-NH2 3.29Å; E374-R378 IonicContact OE2-CZ 3.21Å; E374-R378 IonicContact OE2-NH1 2.71Å; E374-R378 PolarHBondContact OE2-NH1 3.03Å; E374-R378 IonicContact OE2-NH2 3.77Å; E374-R378 PolarHBondContact OE2-NH2 2.94Å; R375-R378 PolarHBondContact O-N 3.39Å; R378-D381 PolarHBondContact O-N 3.48Å; R378-Y382 HydrophobicContact CB-CE2 4.49Å; R378-Y382 WeakPolarHBondContact O-CD2 3.39Å; R378-Y382 PolarHBondContact O-N 2.94Å |
| 379 | Q | 83.9 | Confident | 89.1 | Confident | 102 Ų | 102 | 109.1 Ų | 109.1 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 176.3 | -176.7 | 59.1 | 45.5 | 0 | 0 | 111.3 | R375 E376 Q377 D381 Y382 D383 | R375-Q379 PolarHBondContact O-N 3.41Å; E376-Q379 WeakPolarHBondContact O-CB 3.46Å; E376-Q379 PolarHBondContact O-N 2.89Å; Q377-Q379 VanDerWaalsContact C-N 3.28Å; Q377-Q379 PolarHBondContact O-N 3.05Å; Q379-D381 VanDerWaalsContact C-N 3.28Å; Q379-D381 PolarHBondContact O-N 3.12Å; Q379-Y382 PolarHBondContact O-N 3.11Å; Q379-Y382 VanDerWaalsContact O-N 3.13Å; Q379-D383 VanDerWaalsContact NE2-CG 3.31Å; Q379-D383 PolarHBondContact NE2-OD1 2.99Å; Q379-D383 PolarHBondContact NE2-OD2 2.95Å; Q379-D383 PolarHBondContact O-N 2.89Å |
| 380 | R | 88.2 | Confident | 89.3 | Confident | 118 Ų | 118 | 110.4 Ų | 110.4 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.9 | -39.6 | 175.4 | -68 | 174.2 | -179.7 | 107.7 | 1.6 | 112.6 | E376 Q377 D383 K384 | E376-R380 WeakPolarHBondContact O-CG 3.48Å; E376-R380 PolarHBondContact O-N 3.45Å; E376-R380 IonicContact OE1-CZ 2.83Å; E376-R380 IonicContact OE1-NH1 2.69Å; E376-R380 IonicContact OE1-NH2 2.85Å; E376-R380 PolarHBondContact OE1-NH2 3.04Å; E376-R380 IonicContact OE2-CZ 3.67Å; E376-R380 IonicContact OE2-NH1 3.9Å; E376-R380 PolarHBondContact OE2-NH1 3.35Å; E376-R380 IonicContact OE2-NH2 2.84Å; E376-R380 PolarHBondContact OE2-NH2 3.1Å; Q377-R380 WeakPolarHBondContact O-CB 3.46Å; Q377-R380 PolarHBondContact O-N 3.35Å; R380-D383 PolarHBondContact O-N 3.11Å; R380-K384 VanDerWaalsContact O-CB 3.27Å; R380-K384 WeakPolarHBondContact O-CB 3.47Å; R380-K384 PolarHBondContact O-N 3.34Å |
| 381 | D | 86.7 | Confident | 89.6 | Confident | 64 Ų | 64 | 108.1 Ų | 108.1 | 34% | 0.342 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.5 | -34.4 | 178.2 | -72.1 | -35.9 | 0 | 0 | 0 | 112.8 | Q377 R378 Q379 K385 | Q377-D381 PolarHBondContact NE2-OD1 3.41Å; Q377-D381 PolarHBondContact NE2-OD2 3.47Å; Q377-D381 PolarHBondContact O-N 3.13Å; R378-D381 PolarHBondContact O-N 3.48Å; Q379-D381 VanDerWaalsContact C-N 3.28Å; Q379-D381 PolarHBondContact O-N 3.12Å; D381-K385 WeakPolarHBondContact O-CD 3.29Å; D381-K385 VanDerWaalsContact O-CG 3.25Å; D381-K385 WeakPolarHBondContact O-CG 3.43Å; D381-K385 PolarHBondContact O-N 3.22Å; D381-K385 VanDerWaalsContact O-N 3.11Å |
| 382 | Y | 86.3 | Confident | 90.1 | Very high | 151 Ų | 151 | 108.2 Ų | 108.2 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.3 | -47.2 | 169.9 | -77.9 | -63.8 | 0 | 0 | 0 | 111.7 | R378 Q379 K384 K385 L386 | R378-Y382 HydrophobicContact CB-CE2 4.49Å; R378-Y382 WeakPolarHBondContact O-CD2 3.39Å; R378-Y382 PolarHBondContact O-N 2.94Å; Q379-Y382 PolarHBondContact O-N 3.11Å; Q379-Y382 VanDerWaalsContact O-N 3.13Å; Y382-K384 VanDerWaalsContact C-N 3.31Å; Y382-K384 PolarHBondContact O-N 3.41Å; Y382-K385 PolarHBondContact O-N 3.46Å; Y382-K385 VanDerWaalsContact O-N 3.16Å; Y382-L386 WeakPolarHBondContact O-CB 3.27Å; Y382-L386 PolarHBondContact O-N 2.99Å |
| 383 | D | 90.4 | Very high | 90.3 | Very high | 71 Ų | 71 | 107.9 Ų | 107.9 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 179.5 | -66.1 | -31.3 | 0 | 0 | 0 | 111.5 | Q379 R380 L386 L387 | Q379-D383 VanDerWaalsContact NE2-CG 3.31Å; Q379-D383 PolarHBondContact NE2-OD1 2.99Å; Q379-D383 PolarHBondContact NE2-OD2 2.95Å; Q379-D383 PolarHBondContact O-N 2.89Å; R380-D383 PolarHBondContact O-N 3.11Å; D383-L386 PolarHBondContact O-N 3.41Å; D383-L387 WeakPolarHBondContact O-CB 3.42Å; D383-L387 PolarHBondContact O-N 3.22Å |
| 384 | K | 93.6 | Very high | 90.7 | Very high | 152 Ų | 152 | 111.4 Ų | 111.4 | 66% | 0.661 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 173.6 | -175.2 | 177.4 | 179.6 | -179.1 | 0 | 112.7 | R380 Y382 L388 | R380-K384 VanDerWaalsContact O-CB 3.27Å; R380-K384 WeakPolarHBondContact O-CB 3.47Å; R380-K384 PolarHBondContact O-N 3.34Å; Y382-K384 VanDerWaalsContact C-N 3.31Å; Y382-K384 PolarHBondContact O-N 3.41Å; K384-L388 WeakPolarHBondContact O-CB 3.41Å; K384-L388 PolarHBondContact O-N 2.89Å |
| 385 | K | 93.1 | Very high | 91.1 | Very high | 137 Ų | 137 | 111.7 Ų | 111.7 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 174.5 | -74.3 | 167.9 | -175.3 | 172.6 | 0 | 111.5 | D381 Y382 L388 A389 | D381-K385 WeakPolarHBondContact O-CD 3.29Å; D381-K385 VanDerWaalsContact O-CG 3.25Å; D381-K385 WeakPolarHBondContact O-CG 3.43Å; D381-K385 PolarHBondContact O-N 3.22Å; D381-K385 VanDerWaalsContact O-N 3.11Å; Y382-K385 PolarHBondContact O-N 3.46Å; Y382-K385 VanDerWaalsContact O-N 3.16Å; K385-L388 PolarHBondContact O-N 2.84Å; K385-A389 WeakPolarHBondContact O-CB 3.49Å; K385-A389 PolarHBondContact O-N 2.98Å |
| 386 | L | 94.5 | Very high | 91.7 | Very high | 120 Ų | 120 | 106 Ų | 106 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -43.8 | 177.3 | -177.4 | 62.8 | 0 | 0 | 0 | 111.7 | Y382 D383 A389 K390 | Y382-L386 WeakPolarHBondContact O-CB 3.27Å; Y382-L386 PolarHBondContact O-N 2.99Å; D383-L386 PolarHBondContact O-N 3.41Å; L386-A389 PolarHBondContact O-N 2.93Å; L386-K390 WeakPolarHBondContact O-CB 3.47Å; L386-K390 PolarHBondContact O-N 3.06Å |
| 387 | L | 96.5 | Very high | 92 | Very high | 117 Ų | 117 | 104.8 Ų | 104.8 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -44.6 | 173.3 | -87.8 | 158.5 | 0 | 0 | 0 | 112.2 | D383 K390 S391 | D383-L387 WeakPolarHBondContact O-CB 3.42Å; D383-L387 PolarHBondContact O-N 3.22Å; L387-K390 PolarHBondContact O-N 3.49Å; L387-S391 PolarHBondContact O-N 3.32Å |
| 388 | L | 94.8 | Very high | 92.5 | Very high | 129 Ų | 129 | 102.1 Ų | 102.1 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 176.9 | -174.8 | 66.9 | 0 | 0 | 0 | 111.8 | K384 K385 S391 K392 | K384-L388 WeakPolarHBondContact O-CB 3.41Å; K384-L388 PolarHBondContact O-N 2.89Å; K385-L388 PolarHBondContact O-N 2.84Å; L388-S391 PolarHBondContact O-N 3.42Å; L388-K392 WeakPolarHBondContact O-CB 3.26Å; L388-K392 PolarHBondContact O-N 3.37Å |
| 389 | A | 92.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K385 L386 K392 I393 | K385-A389 WeakPolarHBondContact O-CB 3.49Å; K385-A389 PolarHBondContact O-N 2.98Å; L386-A389 PolarHBondContact O-N 2.93Å; A389-K392 PolarHBondContact O-N 3.42Å; A389-I393 VanDerWaalsContact O-CG1 3.3Å; A389-I393 WeakPolarHBondContact O-CG1 3.09Å; A389-I393 PolarHBondContact O-N 3.29Å |
| 390 | K | 94.2 | Very high | 93.3 | Very high | 139 Ų | 139 | 103.4 Ų | 103.4 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.2 | -49.8 | 175.4 | -175 | -174.6 | 174.4 | -169.5 | 0 | 111.5 | L386 L387 K392 I393 E394 | L386-K390 WeakPolarHBondContact O-CB 3.47Å; L386-K390 PolarHBondContact O-N 3.06Å; L387-K390 PolarHBondContact O-N 3.49Å; K390-K392 VanDerWaalsContact C-N 3.33Å; K390-K392 PolarHBondContact O-N 3.45Å; K390-I393 PolarHBondContact O-N 2.9Å; K390-E394 WeakPolarHBondContact O-CB 3.32Å; K390-E394 PolarHBondContact O-N 2.8Å |
| 391 | S | 95.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 103.3 Ų | 103.3 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | L387 L388 I393 E394 N395 | L387-S391 PolarHBondContact O-N 3.32Å; L388-S391 PolarHBondContact O-N 3.42Å; S391-I393 PolarHBondContact O-N 2.69Å; S391-E394 PolarHBondContact O-N 3.19Å; S391-N395 PolarHBondContact O-N 3.4Å; S391-N395 PolarHBondContact O-OD1 2.85Å |
| 392 | K | 96.5 | Very high | 94.3 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 44% | 0.443 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.2 | -175.7 | 173.8 | 179.7 | 178.3 | 0 | 112.3 | L388 A389 K390 V396 | L388-K392 WeakPolarHBondContact O-CB 3.26Å; L388-K392 PolarHBondContact O-N 3.37Å; A389-K392 PolarHBondContact O-N 3.42Å; K390-K392 VanDerWaalsContact C-N 3.33Å; K390-K392 PolarHBondContact O-N 3.45Å; K392-V396 WeakPolarHBondContact O-CB 3.39Å; K392-V396 VanDerWaalsContact O-CG2 3.31Å; K392-V396 WeakPolarHBondContact O-CG2 3.5Å; K392-V396 PolarHBondContact O-N 3.3Å; K392-V396 VanDerWaalsContact O-N 3.12Å |
| 393 | I | 91.9 | Very high | 94.8 | Very high | 108 Ų | 108 | 102 Ų | 102 | 55% | 0.554 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 175.7 | -69 | 163.5 | 0 | 0 | 0 | 110.6 | A389 K390 S391 V396 Q397 | A389-I393 VanDerWaalsContact O-CG1 3.3Å; A389-I393 WeakPolarHBondContact O-CG1 3.09Å; A389-I393 PolarHBondContact O-N 3.29Å; K390-I393 PolarHBondContact O-N 2.9Å; S391-I393 PolarHBondContact O-N 2.69Å; I393-V396 PolarHBondContact O-N 3.42Å; I393-Q397 WeakPolarHBondContact O-CB 3.29Å; I393-Q397 PolarHBondContact O-N 3.24Å |
| 394 | E | 94.4 | Very high | 95 | Very high | 129 Ų | 129 | 103.4 Ų | 103.4 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 178 | -174.4 | 166.2 | -145.8 | 0 | 0 | 112 | K390 S391 Q397 G398 | K390-E394 WeakPolarHBondContact O-CB 3.32Å; K390-E394 PolarHBondContact O-N 2.8Å; S391-E394 PolarHBondContact O-N 3.19Å; E394-Q397 PolarHBondContact O-N 2.82Å; E394-G398 PolarHBondContact O-N 2.74Å |
| 395 | N | 94.3 | Very high | 95.2 | Very high | 98 Ų | 98 | 98.9 Ų | 98.9 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -50.6 | 175 | -77.2 | 23.6 | 0 | 0 | 0 | 112.3 | S391 Q397 G398 E399 | S391-N395 PolarHBondContact O-N 3.4Å; S391-N395 PolarHBondContact O-OD1 2.85Å; N395-Q397 VanDerWaalsContact C-N 3.26Å; N395-Q397 PolarHBondContact O-N 3.5Å; N395-G398 PolarHBondContact O-N 2.96Å; N395-G398 VanDerWaalsContact O-N 3.12Å; N395-E399 WeakPolarHBondContact O-CG 3.41Å; N395-E399 PolarHBondContact O-N 3.41Å |
| 396 | V | 96.2 | Very high | 95.3 | Very high | 77 Ų | 77 | 97.4 Ų | 97.4 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -33.6 | -179.8 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | K392 I393 K400 | K392-V396 WeakPolarHBondContact O-CB 3.39Å; K392-V396 VanDerWaalsContact O-CG2 3.31Å; K392-V396 WeakPolarHBondContact O-CG2 3.5Å; K392-V396 PolarHBondContact O-N 3.3Å; K392-V396 VanDerWaalsContact O-N 3.12Å; I393-V396 PolarHBondContact O-N 3.42Å; V396-K400 VanDerWaalsContact O-CB 3.23Å; V396-K400 WeakPolarHBondContact O-CB 3.31Å; V396-K400 PolarHBondContact O-N 3.43Å |
| 397 | Q | 94.8 | Very high | 95.5 | Very high | 80 Ų | 80 | 94.4 Ų | 94.4 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 174.7 | -178.3 | 59.9 | 31.5 | 0 | 0 | 111.4 | I393 E394 N395 K400 E401 | I393-Q397 WeakPolarHBondContact O-CB 3.29Å; I393-Q397 PolarHBondContact O-N 3.24Å; E394-Q397 PolarHBondContact O-N 2.82Å; N395-Q397 VanDerWaalsContact C-N 3.26Å; N395-Q397 PolarHBondContact O-N 3.5Å; Q397-K400 PolarHBondContact O-N 3.23Å; Q397-E401 PolarHBondContact NE2-OE1 2.99Å; Q397-E401 WeakPolarHBondContact O-CG 3.44Å; Q397-E401 PolarHBondContact O-N 3.17Å |
| 398 | G | 95.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 92.3 Ų | 92.3 | 31% | 0.309 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E394 N395 K400 E401 C402 | E394-G398 PolarHBondContact O-N 2.74Å; N395-G398 PolarHBondContact O-N 2.96Å; N395-G398 VanDerWaalsContact O-N 3.12Å; G398-K400 VanDerWaalsContact C-N 3.31Å; G398-K400 PolarHBondContact O-N 3.01Å; G398-E401 PolarHBondContact O-N 3.1Å; G398-E401 VanDerWaalsContact O-N 3.09Å; G398-C402 PolarHBondContact O-N 3.45Å; G398-C402 PolarHBondContact O-SG 2.85Å |
| 399 | E | 95.1 | Very high | 95.7 | Very high | 117 Ų | 117 | 91.3 Ų | 91.3 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.2 | -45 | 174.7 | -73 | 169 | -164.9 | 0 | 0 | 111.7 | N395 E401 C402 L403 | N395-E399 WeakPolarHBondContact O-CG 3.41Å; N395-E399 PolarHBondContact O-N 3.41Å; E399-E401 VanDerWaalsContact C-N 3.33Å; E399-E401 PolarHBondContact O-N 3.19Å; E399-C402 PolarHBondContact O-N 3.24Å; E399-L403 WeakPolarHBondContact O-CB 3.39Å; E399-L403 WeakPolarHBondContact O-CG 3.4Å; E399-L403 PolarHBondContact O-N 2.85Å |
| 400 | K | 95.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 93.2 Ų | 93.2 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.7 | -38.4 | 175.8 | 176 | -173.2 | 171 | -169 | 0 | 112.4 | V396 Q397 G398 N404 | V396-K400 VanDerWaalsContact O-CB 3.23Å; V396-K400 WeakPolarHBondContact O-CB 3.31Å; V396-K400 PolarHBondContact O-N 3.43Å; Q397-K400 PolarHBondContact O-N 3.23Å; G398-K400 VanDerWaalsContact C-N 3.31Å; G398-K400 PolarHBondContact O-N 3.01Å; K400-N404 VanDerWaalsContact O-CB 3.24Å; K400-N404 WeakPolarHBondContact O-CB 3.42Å; K400-N404 PolarHBondContact O-N 2.87Å |
| 401 | E | 97.3 | Very high | 96.1 | Very high | 116 Ų | 116 | 92.3 Ų | 92.3 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.7 | -76.4 | 170.1 | -160.3 | 0 | 0 | 111.3 | Q397 G398 E399 N404 S405 | Q397-E401 PolarHBondContact NE2-OE1 2.99Å; Q397-E401 WeakPolarHBondContact O-CG 3.44Å; Q397-E401 PolarHBondContact O-N 3.17Å; G398-E401 PolarHBondContact O-N 3.1Å; G398-E401 VanDerWaalsContact O-N 3.09Å; E399-E401 VanDerWaalsContact C-N 3.33Å; E399-E401 PolarHBondContact O-N 3.19Å; E401-N404 PolarHBondContact O-N 3.01Å; E401-S405 PolarHBondContact O-N 2.98Å; E401-S405 PolarHBondContact O-OG 3.44Å |
| 402 | C | 97 | Very high | 96.2 | Very high | 85 Ų | 85 | 95.8 Ų | 95.8 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.6 | -49 | 173.1 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | G398 E399 N404 S405 E406 | G398-C402 PolarHBondContact O-N 3.45Å; G398-C402 PolarHBondContact O-SG 2.85Å; E399-C402 PolarHBondContact O-N 3.24Å; C402-N404 VanDerWaalsContact C-N 3.26Å; C402-N404 PolarHBondContact O-N 3.33Å; C402-S405 WeakPolarHBondContact CA-OG 3.47Å; C402-S405 PolarHBondContact O-N 3.05Å; C402-S405 PolarHBondContact O-OG 2.74Å; C402-E406 PolarHBondContact O-N 3.34Å |
| 403 | L | 97.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 96.9 Ų | 96.9 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -32.2 | 177.4 | -71 | 171.5 | 0 | 0 | 0 | 112.3 | E399 T407 | E399-L403 WeakPolarHBondContact O-CB 3.39Å; E399-L403 WeakPolarHBondContact O-CG 3.4Å; E399-L403 PolarHBondContact O-N 2.85Å; L403-T407 VanDerWaalsContact O-CB 3.28Å; L403-T407 WeakPolarHBondContact O-CB 3.33Å; L403-T407 PolarHBondContact O-N 3.02Å; L403-T407 PolarHBondContact O-OG1 2.81Å |
| 404 | N | 95.1 | Very high | 96.6 | Very high | 101 Ų | 101 | 95.5 Ų | 95.5 | 54% | 0.54 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.7 | -41.6 | 174.9 | -170.1 | 37.8 | 0 | 0 | 0 | 111.5 | K400 E401 C402 T407 T408 | K400-N404 VanDerWaalsContact O-CB 3.24Å; K400-N404 WeakPolarHBondContact O-CB 3.42Å; K400-N404 PolarHBondContact O-N 2.87Å; E401-N404 PolarHBondContact O-N 3.01Å; C402-N404 VanDerWaalsContact C-N 3.26Å; C402-N404 PolarHBondContact O-N 3.33Å; N404-T407 WeakPolarHBondContact O-CB 3.44Å; N404-T407 PolarHBondContact O-N 2.9Å; N404-T408 WeakPolarHBondContact O-CG2 3.49Å; N404-T408 PolarHBondContact O-N 3.39Å; N404-T408 PolarHBondContact O-OG1 2.99Å |
| 405 | S | 97.2 | Very high | 96.8 | Very high | 57 Ų | 57 | 95.8 Ų | 95.8 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 172.7 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | E401 C402 T407 T408 E409 | E401-S405 PolarHBondContact O-N 2.98Å; E401-S405 PolarHBondContact O-OG 3.44Å; C402-S405 WeakPolarHBondContact CA-OG 3.47Å; C402-S405 PolarHBondContact O-N 3.05Å; C402-S405 PolarHBondContact O-OG 2.74Å; S405-T407 VanDerWaalsContact C-N 3.3Å; S405-T407 PolarHBondContact O-N 3.46Å; S405-T408 PolarHBondContact O-N 3.13Å; S405-T408 PolarHBondContact O-OG1 3.26Å; S405-E409 PolarHBondContact O-N 2.95Å |
| 406 | E | 96.8 | Very high | 97 | Very high | 105 Ų | 105 | 97.9 Ų | 97.9 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 175.5 | -175.2 | -178.6 | -169.5 | 0 | 0 | 111.5 | C402 T408 E409 L410 | C402-E406 PolarHBondContact O-N 3.34Å; E406-T408 VanDerWaalsContact C-N 3.3Å; E406-T408 PolarHBondContact O-N 3.3Å; E406-E409 PolarHBondContact O-N 3.2Å; E406-L410 HydrophobicContact CG-CD1 4.01Å; E406-L410 HydrophobicContact CG-CG 4.37Å; E406-L410 WeakPolarHBondContact O-CB 3.32Å; E406-L410 WeakPolarHBondContact O-CG 3.48Å; E406-L410 PolarHBondContact O-N 3Å |
| 407 | T | 96.9 | Very high | 97.1 | Very high | 58 Ų | 58 | 99.2 Ų | 99.2 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 175.4 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | L403 N404 S405 K411 | L403-T407 VanDerWaalsContact O-CB 3.28Å; L403-T407 WeakPolarHBondContact O-CB 3.33Å; L403-T407 PolarHBondContact O-N 3.02Å; L403-T407 PolarHBondContact O-OG1 2.81Å; N404-T407 WeakPolarHBondContact O-CB 3.44Å; N404-T407 PolarHBondContact O-N 2.9Å; S405-T407 VanDerWaalsContact C-N 3.3Å; S405-T407 PolarHBondContact O-N 3.46Å; T407-K411 HydrophobicContact CG2-CD 4.14Å; T407-K411 WeakPolarHBondContact O-CB 3.39Å; T407-K411 WeakPolarHBondContact O-CD 3.42Å; T407-K411 VanDerWaalsContact O-CG 3.23Å; T407-K411 WeakPolarHBondContact O-CG 3.44Å; T407-K411 PolarHBondContact O-N 3.35Å |
| 408 | T | 97.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.2 | -38.7 | 176.4 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | N404 S405 E406 K411 Q412 | N404-T408 WeakPolarHBondContact O-CG2 3.49Å; N404-T408 PolarHBondContact O-N 3.39Å; N404-T408 PolarHBondContact O-OG1 2.99Å; S405-T408 PolarHBondContact O-N 3.13Å; S405-T408 PolarHBondContact O-OG1 3.26Å; E406-T408 VanDerWaalsContact C-N 3.3Å; E406-T408 PolarHBondContact O-N 3.3Å; T408-K411 PolarHBondContact O-N 3.4Å; T408-Q412 PolarHBondContact O-N 3.31Å |
| 409 | E | 98.1 | Very high | 97.3 | Very high | 109 Ų | 109 | 104.9 Ų | 104.9 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 174.7 | -71.8 | -174.9 | -161.7 | 0 | 0 | 112.1 | S405 E406 Q412 K413 | S405-E409 PolarHBondContact O-N 2.95Å; E406-E409 PolarHBondContact O-N 3.2Å; E409-Q412 CarbonylContact O-C 3.59Å; E409-Q412 WeakPolarHBondContact O-CB 3.48Å; E409-Q412 PolarHBondContact O-N 3.16Å; E409-Q412 VanDerWaalsContact O-N 3.12Å; E409-K413 PolarHBondContact O-N 2.9Å |
| 410 | L | 98.1 | Very high | 97.4 | Very high | 87 Ų | 87 | 103.8 Ų | 103.8 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.2 | -74.2 | 172.8 | 0 | 0 | 0 | 111.2 | E406 Q412 K413 V414 | E406-L410 HydrophobicContact CG-CD1 4.01Å; E406-L410 HydrophobicContact CG-CG 4.37Å; E406-L410 WeakPolarHBondContact O-CB 3.32Å; E406-L410 WeakPolarHBondContact O-CG 3.48Å; E406-L410 PolarHBondContact O-N 3Å; L410-Q412 VanDerWaalsContact C-N 3.27Å; L410-Q412 PolarHBondContact O-N 3.5Å; L410-K413 PolarHBondContact O-N 2.92Å; L410-V414 WeakPolarHBondContact O-CG2 3.31Å; L410-V414 PolarHBondContact O-N 2.94Å |
| 411 | K | 98.1 | Very high | 97.4 | Very high | 119 Ų | 119 | 103.1 Ų | 103.1 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 172.6 | -76.4 | 168.1 | -178.7 | 170.3 | 0 | 112.3 | T407 T408 R415 | T407-K411 HydrophobicContact CG2-CD 4.14Å; T407-K411 WeakPolarHBondContact O-CB 3.39Å; T407-K411 WeakPolarHBondContact O-CD 3.42Å; T407-K411 VanDerWaalsContact O-CG 3.23Å; T407-K411 WeakPolarHBondContact O-CG 3.44Å; T407-K411 PolarHBondContact O-N 3.35Å; T408-K411 PolarHBondContact O-N 3.4Å; K411-R415 WeakPolarHBondContact O-CG 3.42Å; K411-R415 PolarHBondContact O-N 3.3Å; K411-R415 VanDerWaalsContact O-N 3.13Å |
| 412 | Q | 98.3 | Very high | 97.4 | Very high | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.1 | -41.8 | 175.9 | -172.4 | 171.7 | -2.2 | 0 | 0 | 112.1 | T408 E409 L410 R415 Y416 | T408-Q412 PolarHBondContact O-N 3.31Å; E409-Q412 CarbonylContact O-C 3.59Å; E409-Q412 WeakPolarHBondContact O-CB 3.48Å; E409-Q412 PolarHBondContact O-N 3.16Å; E409-Q412 VanDerWaalsContact O-N 3.12Å; L410-Q412 VanDerWaalsContact C-N 3.27Å; L410-Q412 PolarHBondContact O-N 3.5Å; Q412-R415 PolarHBondContact O-N 3.49Å; Q412-Y416 WeakPolarHBondContact O-CB 3.4Å; Q412-Y416 PolarHBondContact O-N 3.38Å |
| 413 | K | 98.1 | Very high | 97.4 | Very high | 125 Ų | 125 | 101.9 Ų | 101.9 | 54% | 0.543 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 172.5 | -79.4 | 172.3 | 177.3 | 160.8 | 0 | 112 | E409 L410 Y416 L417 | E409-K413 PolarHBondContact O-N 2.9Å; L410-K413 PolarHBondContact O-N 2.92Å; K413-Y416 PolarHBondContact O-N 3.49Å; K413-L417 WeakPolarHBondContact O-CB 3.36Å; K413-L417 VanDerWaalsContact O-CG 3.32Å; K413-L417 WeakPolarHBondContact O-CG 3.36Å; K413-L417 PolarHBondContact O-N 2.87Å |
| 414 | V | 97.9 | Very high | 97.4 | Very high | 79 Ų | 79 | 102.6 Ų | 102.6 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 177.2 | 168.9 | 0 | 0 | 0 | 0 | 111 | L410 Y416 L417 Q418 | L410-V414 WeakPolarHBondContact O-CG2 3.31Å; L410-V414 PolarHBondContact O-N 2.94Å; V414-Y416 PolarHBondContact O-N 2.82Å; V414-L417 PolarHBondContact O-N 3.1Å; V414-Q418 HydrophobicContact CG1-CG 4.46Å; V414-Q418 WeakPolarHBondContact O-CB 3.48Å; V414-Q418 WeakPolarHBondContact O-CG 3.43Å; V414-Q418 PolarHBondContact O-N 2.92Å |
| 415 | R | 98.2 | Very high | 97.4 | Very high | 135 Ų | 135 | 100 Ų | 100 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58 | -49.2 | 174.4 | -74.3 | -170.9 | -61.3 | -97.4 | 0.8 | 111.7 | K411 Q412 L417 Q418 D419 | K411-R415 WeakPolarHBondContact O-CG 3.42Å; K411-R415 PolarHBondContact O-N 3.3Å; K411-R415 VanDerWaalsContact O-N 3.13Å; Q412-R415 PolarHBondContact O-N 3.49Å; R415-L417 VanDerWaalsContact C-N 3.31Å; R415-L417 PolarHBondContact O-N 3.23Å; R415-Q418 WeakPolarHBondContact O-CB 3.42Å; R415-Q418 PolarHBondContact O-N 2.71Å; R415-Q418 VanDerWaalsContact O-N 3.1Å; R415-D419 VanDerWaalsContact O-CG 3.23Å; R415-D419 PolarHBondContact O-N 3.05Å |
| 416 | Y | 98.3 | Very high | 97.4 | Very high | 143 Ų | 143 | 102.5 Ų | 102.5 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.3 | -40.2 | 178.9 | 179 | -102.4 | 0 | 0 | 0 | 113.1 | Q412 K413 V414 Q420 | Q412-Y416 WeakPolarHBondContact O-CB 3.4Å; Q412-Y416 PolarHBondContact O-N 3.38Å; K413-Y416 PolarHBondContact O-N 3.49Å; V414-Y416 PolarHBondContact O-N 2.82Å; Y416-Q420 PolarHBondContact O-N 3.5Å; Y416-Q420 PolarHBondContact OH-NE2 3.48Å |
| 417 | L | 98 | Very high | 97.5 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.3 | -36.9 | 175.5 | -70.4 | 172.5 | 0 | 0 | 0 | 112.4 | K413 V414 R415 Q420 L421 | K413-L417 WeakPolarHBondContact O-CB 3.36Å; K413-L417 VanDerWaalsContact O-CG 3.32Å; K413-L417 WeakPolarHBondContact O-CG 3.36Å; K413-L417 PolarHBondContact O-N 2.87Å; V414-L417 PolarHBondContact O-N 3.1Å; R415-L417 VanDerWaalsContact C-N 3.31Å; R415-L417 PolarHBondContact O-N 3.23Å; L417-Q420 PolarHBondContact O-N 3.4Å; L417-L421 WeakPolarHBondContact O-CB 3.04Å; L417-L421 PolarHBondContact O-N 3.39Å |
| 418 | Q | 97.4 | Very high | 97.5 | Very high | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 172.2 | -74.3 | 172.9 | -39.9 | 0 | 0 | 111.2 | V414 R415 Q420 L421 L422 | V414-Q418 HydrophobicContact CG1-CG 4.46Å; V414-Q418 WeakPolarHBondContact O-CB 3.48Å; V414-Q418 WeakPolarHBondContact O-CG 3.43Å; V414-Q418 PolarHBondContact O-N 2.92Å; R415-Q418 WeakPolarHBondContact O-CB 3.42Å; R415-Q418 PolarHBondContact O-N 2.71Å; R415-Q418 VanDerWaalsContact O-N 3.1Å; Q418-Q420 VanDerWaalsContact C-N 3.32Å; Q418-Q420 PolarHBondContact O-N 2.97Å; Q418-L421 PolarHBondContact O-N 2.97Å; Q418-L422 PolarHBondContact O-N 2.86Å; Q418-L422 VanDerWaalsContact O-N 3.15Å |
| 419 | D | 97.4 | Very high | 97.5 | Very high | 112 Ų | 112 | 106.8 Ų | 106.8 | 60% | 0.599 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -35.5 | 176.4 | -65.5 | -28.5 | 0 | 0 | 0 | 112 | R415 P423 | R415-D419 VanDerWaalsContact O-CG 3.23Å; R415-D419 PolarHBondContact O-N 3.05Å; D419-P423 WeakPolarHBondContact O-CD 3.49Å |
| 420 | Q | 97.4 | Very high | 97.5 | Very high | 93 Ų | 93 | 109.1 Ų | 109.1 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.3 | -35.4 | 172.2 | -75.4 | -160.4 | 16.1 | 0 | 0 | 113.9 | Y416 L417 Q418 L422 P423 | Y416-Q420 PolarHBondContact O-N 3.5Å; Y416-Q420 PolarHBondContact OH-NE2 3.48Å; L417-Q420 PolarHBondContact O-N 3.4Å; Q418-Q420 VanDerWaalsContact C-N 3.32Å; Q418-Q420 PolarHBondContact O-N 2.97Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-P423 WeakPolarHBondContact O-CD 3.38Å |
| 421 | L | 96.5 | Very high | 97.5 | Very high | 116 Ų | 116 | 110 Ų | 110 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.8 | -31.7 | -176.9 | -164 | 75.9 | 0 | 0 | 0 | 111.9 | L417 Q418 L424 S425 | L417-L421 WeakPolarHBondContact O-CB 3.04Å; L417-L421 PolarHBondContact O-N 3.39Å; Q418-L421 PolarHBondContact O-N 2.97Å; L421-L424 PolarHBondContact O-N 3.23Å; L421-S425 WeakPolarHBondContact O-CB 3.38Å; L421-S425 PolarHBondContact O-N 3.33Å |
| 422 | L | 96.4 | Very high | 97.4 | Very high | 94 Ų | 94 | 108.8 Ų | 108.8 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | -172.4 | -141.1 | 161.7 | 0 | 0 | 0 | 113.2 | Q418 Q420 S425 K426 | Q418-L422 PolarHBondContact O-N 2.86Å; Q418-L422 VanDerWaalsContact O-N 3.15Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; L422-S425 PolarHBondContact O-N 2.72Å; L422-K426 HydrophobicContact CD2-CD 4.23Å; L422-K426 PolarHBondContact O-N 3.11Å; L422-K426 VanDerWaalsContact O-N 3.11Å |
| 423 | P | 96.4 | Very high | 97.4 | Very high | 82 Ų | 82 | 107.8 Ų | 107.8 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 172.6 | -22.6 | 34.3 | 0 | 0 | 0 | 113.3 | D419 Q420 S425 K426 Q427 | D419-P423 WeakPolarHBondContact O-CD 3.49Å; Q420-P423 WeakPolarHBondContact O-CD 3.38Å; P423-S425 VanDerWaalsContact C-N 3.33Å; P423-S425 PolarHBondContact O-N 2.69Å; P423-K426 PolarHBondContact O-N 3.27Å; P423-Q427 WeakPolarHBondContact O-CB 2.81Å; P423-Q427 PolarHBondContact O-N 3.14Å |
| 424 | L | 96.8 | Very high | 97.3 | Very high | 117 Ų | 117 | 105.7 Ų | 105.7 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | 178 | -65.5 | 174.9 | 0 | 0 | 0 | 111.6 | L421 Q427 R428 | L421-L424 PolarHBondContact O-N 3.23Å; L424-Q427 PolarHBondContact O-N 2.96Å; L424-R428 PolarHBondContact O-N 3.1Å |
| 425 | S | 96.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 105.9 Ų | 105.9 | 32% | 0.322 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 175.8 | -164.3 | 0 | 0 | 0 | 0 | 111.8 | L421 L422 P423 R428 E429 | L421-S425 WeakPolarHBondContact O-CB 3.38Å; L421-S425 PolarHBondContact O-N 3.33Å; L422-S425 PolarHBondContact O-N 2.72Å; P423-S425 VanDerWaalsContact C-N 3.33Å; P423-S425 PolarHBondContact O-N 2.69Å; S425-R428 WeakPolarHBondContact O-CB 3.44Å; S425-R428 PolarHBondContact O-N 3.37Å; S425-R428 PolarHBondContact OG-NH1 3.22Å; S425-E429 PolarHBondContact O-N 3.34Å |
| 426 | K | 97.4 | Very high | 97.2 | Very high | 111 Ų | 111 | 105 Ų | 105 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 173.4 | -72.3 | -177.4 | 175.8 | -178.6 | 0 | 112 | L422 P423 R428 E429 Y430 | L422-K426 HydrophobicContact CD2-CD 4.23Å; L422-K426 PolarHBondContact O-N 3.11Å; L422-K426 VanDerWaalsContact O-N 3.11Å; P423-K426 PolarHBondContact O-N 3.27Å; K426-R428 VanDerWaalsContact C-N 3.35Å; K426-R428 PolarHBondContact O-N 2.96Å; K426-E429 WeakPolarHBondContact O-CB 3.42Å; K426-E429 PolarHBondContact O-N 2.98Å; K426-Y430 HydrophobicContact CB-CE2 4.45Å; K426-Y430 WeakPolarHBondContact O-CD2 3.47Å; K426-Y430 PolarHBondContact O-N 3.49Å |
| 427 | Q | 97.4 | Very high | 97.2 | Very high | 103 Ų | 103 | 104.8 Ų | 104.8 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 176 | -177.4 | 61.1 | 22 | 0 | 0 | 111.9 | P423 L424 Y430 Q431 | P423-Q427 WeakPolarHBondContact O-CB 2.81Å; P423-Q427 PolarHBondContact O-N 3.14Å; L424-Q427 PolarHBondContact O-N 2.96Å; Q427-Y430 PolarHBondContact O-N 2.92Å; Q427-Q431 WeakPolarHBondContact O-CG 3.48Å; Q427-Q431 PolarHBondContact O-N 3.44Å |
| 428 | R | 97.3 | Very high | 97.2 | Very high | 133 Ų | 133 | 103.9 Ų | 103.9 | 50% | 0.502 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 172.6 | -171.5 | -162.7 | 73.7 | -103.3 | -7.6 | 111 | L424 S425 K426 Y430 Q431 E432 | L424-R428 PolarHBondContact O-N 3.1Å; S425-R428 WeakPolarHBondContact O-CB 3.44Å; S425-R428 PolarHBondContact O-N 3.37Å; S425-R428 PolarHBondContact OG-NH1 3.22Å; K426-R428 VanDerWaalsContact C-N 3.35Å; K426-R428 PolarHBondContact O-N 2.96Å; R428-Y430 PolarHBondContact O-N 3.44Å; R428-Q431 PolarHBondContact O-N 2.93Å; R428-E432 WeakPolarHBondContact O-CB 3.48Å; R428-E432 PolarHBondContact O-N 2.87Å |
| 429 | E | 97.3 | Very high | 97.1 | Very high | 88 Ų | 88 | 102.3 Ų | 102.3 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 179 | -164.8 | -162.4 | 153.3 | 0 | 0 | 112.8 | S425 K426 E432 K433 | S425-E429 PolarHBondContact O-N 3.34Å; K426-E429 WeakPolarHBondContact O-CB 3.42Å; K426-E429 PolarHBondContact O-N 2.98Å; E429-E432 PolarHBondContact O-N 3.22Å; E429-K433 WeakPolarHBondContact O-CG 3.44Å; E429-K433 PolarHBondContact O-N 2.97Å; E429-K433 VanDerWaalsContact OE1-CE 3.28Å; E429-K433 WeakPolarHBondContact OE1-CE 3.48Å; E429-K433 IonicContact OE1-NZ 2.81Å; E429-K433 PolarHBondContact OE1-NZ 2.95Å |
| 430 | Y | 98.1 | Very high | 97.1 | Very high | 158 Ų | 158 | 104.7 Ų | 104.7 | 62% | 0.62 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 173.4 | -73.9 | -61.6 | 0 | 0 | 0 | 112.2 | K426 Q427 R428 K433 E434 | K426-Y430 HydrophobicContact CB-CE2 4.45Å; K426-Y430 WeakPolarHBondContact O-CD2 3.47Å; K426-Y430 PolarHBondContact O-N 3.49Å; Q427-Y430 PolarHBondContact O-N 2.92Å; R428-Y430 PolarHBondContact O-N 3.44Å; Y430-K433 PolarHBondContact O-N 2.99Å; Y430-E434 PolarHBondContact O-N 3.48Å |
| 431 | Q | 97.8 | Very high | 96.9 | Very high | 105 Ų | 105 | 102.3 Ų | 102.3 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.2 | -71.9 | 172.7 | -24.8 | 0 | 0 | 111.6 | Q427 R428 K433 E434 I435 | Q427-Q431 WeakPolarHBondContact O-CG 3.48Å; Q427-Q431 PolarHBondContact O-N 3.44Å; R428-Q431 PolarHBondContact O-N 2.93Å; Q431-K433 PolarHBondContact O-N 2.88Å; Q431-E434 PolarHBondContact O-N 3.14Å; Q431-I435 VanDerWaalsContact O-CG1 3.27Å; Q431-I435 WeakPolarHBondContact O-CG1 3.47Å; Q431-I435 PolarHBondContact O-N 2.93Å |
| 432 | E | 96.9 | Very high | 96.7 | Very high | 94 Ų | 94 | 101.6 Ų | 101.6 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 175 | -158.7 | 74.7 | -124.7 | 0 | 0 | 111.5 | R428 E429 E434 I435 Q436 | R428-E432 WeakPolarHBondContact O-CB 3.48Å; R428-E432 PolarHBondContact O-N 2.87Å; E429-E432 PolarHBondContact O-N 3.22Å; E432-E434 PolarHBondContact O-N 3.05Å; E432-I435 PolarHBondContact O-N 2.69Å; E432-Q436 VanDerWaalsContact O-CG 3.28Å; E432-Q436 WeakPolarHBondContact O-CG 3.5Å; E432-Q436 PolarHBondContact O-N 3.47Å |
| 433 | K | 97.7 | Very high | 96.4 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 47% | 0.47 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 176.9 | -74.4 | 171.7 | -177.8 | 169.3 | 0 | 112.7 | E429 Y430 Q431 Q436 R437 | E429-K433 WeakPolarHBondContact O-CG 3.44Å; E429-K433 PolarHBondContact O-N 2.97Å; E429-K433 VanDerWaalsContact OE1-CE 3.28Å; E429-K433 WeakPolarHBondContact OE1-CE 3.48Å; E429-K433 IonicContact OE1-NZ 2.81Å; E429-K433 PolarHBondContact OE1-NZ 2.95Å; Y430-K433 PolarHBondContact O-N 2.99Å; Q431-K433 PolarHBondContact O-N 2.88Å; K433-Q436 PolarHBondContact O-N 3.49Å; K433-R437 WeakPolarHBondContact O-CB 3.48Å; K433-R437 PolarHBondContact O-N 3.33Å |
| 434 | E | 97.2 | Very high | 96 | Very high | 81 Ų | 81 | 104.1 Ų | 104.1 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 176 | -178.5 | 57.4 | -165.2 | 0 | 0 | 111.8 | Y430 Q431 E432 Q436 R437 L438 | Y430-E434 PolarHBondContact O-N 3.48Å; Q431-E434 PolarHBondContact O-N 3.14Å; E432-E434 PolarHBondContact O-N 3.05Å; E434-Q436 VanDerWaalsContact C-N 3.34Å; E434-Q436 PolarHBondContact O-N 3.44Å; E434-R437 WeakPolarHBondContact O-CB 3.26Å; E434-R437 PolarHBondContact O-N 3.33Å; E434-R437 IonicContact OE1-CZ 3.37Å; E434-R437 IonicContact OE1-NE 3.24Å; E434-R437 PolarHBondContact OE1-NE 3.02Å; E434-R437 IonicContact OE1-NH2 2.68Å; E434-R437 PolarHBondContact OE1-NH2 2.96Å; E434-R437 IonicContact OE2-CZ 3.72Å; E434-R437 IonicContact OE2-NE 2.8Å; E434-R437 PolarHBondContact OE2-NE 3.32Å; E434-R437 IonicContact OE2-NH2 3.77Å; E434-L438 HydrophobicContact CG-CD1 4.07Å; E434-L438 HydrophobicContact CG-CG 4.46Å; E434-L438 WeakPolarHBondContact O-CB 3.34Å; E434-L438 VanDerWaalsContact O-CG 3.26Å; E434-L438 WeakPolarHBondContact O-CG 3.34Å; E434-L438 PolarHBondContact O-N 3.06Å |
| 435 | I | 96.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 101.1 Ų | 101.1 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 171.5 | -69.6 | 163.4 | 0 | 0 | 0 | 110.4 | Q431 E432 R437 L438 N439 | Q431-I435 VanDerWaalsContact O-CG1 3.27Å; Q431-I435 WeakPolarHBondContact O-CG1 3.47Å; Q431-I435 PolarHBondContact O-N 2.93Å; E432-I435 PolarHBondContact O-N 2.69Å; I435-R437 PolarHBondContact O-N 2.9Å; I435-L438 PolarHBondContact O-N 2.93Å; I435-N439 WeakPolarHBondContact O-CB 3.4Å; I435-N439 PolarHBondContact O-N 2.74Å |
| 436 | Q | 97.3 | Very high | 94.4 | Very high | 118 Ų | 118 | 104.1 Ų | 104.1 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 175.5 | -71.6 | 170.3 | 20.3 | 0 | 0 | 112.4 | E432 K433 E434 R440 | E432-Q436 VanDerWaalsContact O-CG 3.28Å; E432-Q436 WeakPolarHBondContact O-CG 3.5Å; E432-Q436 PolarHBondContact O-N 3.47Å; K433-Q436 PolarHBondContact O-N 3.49Å; E434-Q436 VanDerWaalsContact C-N 3.34Å; E434-Q436 PolarHBondContact O-N 3.44Å; Q436-R440 WeakPolarHBondContact O-CB 3.4Å; Q436-R440 PolarHBondContact O-N 2.95Å |
| 437 | R | 98 | Very high | 93.1 | Very high | 137 Ų | 137 | 104.9 Ų | 104.9 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.8 | -168.8 | -165.4 | 71.7 | 77.3 | 1.2 | 111.7 | K433 E434 I435 R440 A441 | K433-R437 WeakPolarHBondContact O-CB 3.48Å; K433-R437 PolarHBondContact O-N 3.33Å; E434-R437 WeakPolarHBondContact O-CB 3.26Å; E434-R437 PolarHBondContact O-N 3.33Å; E434-R437 IonicContact OE1-CZ 3.37Å; E434-R437 IonicContact OE1-NE 3.24Å; E434-R437 PolarHBondContact OE1-NE 3.02Å; E434-R437 IonicContact OE1-NH2 2.68Å; E434-R437 PolarHBondContact OE1-NH2 2.96Å; E434-R437 IonicContact OE2-CZ 3.72Å; E434-R437 IonicContact OE2-NE 2.8Å; E434-R437 PolarHBondContact OE2-NE 3.32Å; E434-R437 IonicContact OE2-NH2 3.77Å; I435-R437 PolarHBondContact O-N 2.9Å; R437-R440 PolarHBondContact O-N 2.87Å; R437-A441 WeakPolarHBondContact O-CB 3.27Å; R437-A441 PolarHBondContact O-N 3.05Å |
| 438 | L | 97.1 | Very high | 91.3 | Very high | 86 Ų | 86 | 107 Ų | 107 | 45% | 0.45 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 178.4 | -71 | 169.8 | 0 | 0 | 0 | 111.7 | E434 I435 R440 A441 L442 | E434-L438 HydrophobicContact CG-CD1 4.07Å; E434-L438 HydrophobicContact CG-CG 4.46Å; E434-L438 WeakPolarHBondContact O-CB 3.34Å; E434-L438 VanDerWaalsContact O-CG 3.26Å; E434-L438 WeakPolarHBondContact O-CG 3.34Å; E434-L438 PolarHBondContact O-N 3.06Å; I435-L438 PolarHBondContact O-N 2.93Å; L438-R440 PolarHBondContact O-N 2.76Å; L438-A441 PolarHBondContact O-N 3.13Å; L438-L442 WeakPolarHBondContact O-CB 3.39Å; L438-L442 PolarHBondContact O-N 3.32Å |
| 439 | N | 96.2 | Very high | 88.8 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 45% | 0.449 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.1 | -73.5 | -12.3 | 0 | 0 | 0 | 111.4 | I435 L442 E443 | I435-N439 WeakPolarHBondContact O-CB 3.4Å; I435-N439 PolarHBondContact O-N 2.74Å; N439-L442 WeakPolarHBondContact O-CB 3.28Å; N439-L442 PolarHBondContact O-N 3.3Å; N439-E443 WeakPolarHBondContact O-CG 3.44Å; N439-E443 PolarHBondContact O-N 3.49Å |
| 440 | R | 95.9 | Very high | 86 | Confident | 163 Ų | 163 | 109 Ų | 109 | 62% | 0.615 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 174.9 | 177.3 | 158.1 | -68.6 | 165.4 | 1.6 | 112.4 | Q436 R437 L438 L442 E443 E444 | Q436-R440 WeakPolarHBondContact O-CB 3.4Å; Q436-R440 PolarHBondContact O-N 2.95Å; R437-R440 PolarHBondContact O-N 2.87Å; L438-R440 PolarHBondContact O-N 2.76Å; R440-L442 PolarHBondContact O-N 3.47Å; R440-E443 PolarHBondContact O-N 2.93Å; R440-E444 HydrophobicContact CG-CG 4.43Å; R440-E444 VanDerWaalsContact CG-OE1 3.23Å; R440-E444 WeakPolarHBondContact CG-OE1 3.32Å; R440-E444 WeakPolarHBondContact O-CB 3.41Å; R440-E444 VanDerWaalsContact O-CG 3.31Å; R440-E444 WeakPolarHBondContact O-CG 3.35Å; R440-E444 PolarHBondContact O-N 2.86Å |
| 441 | A | 93.5 | Very high | 83.4 | Confident | 43 Ų | 43 | 107 Ų | 107 | 36% | 0.355 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -33.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R437 L438 A445 | R437-A441 WeakPolarHBondContact O-CB 3.27Å; R437-A441 PolarHBondContact O-N 3.05Å; L438-A441 PolarHBondContact O-N 3.13Å; A441-A445 WeakPolarHBondContact O-CB 3.49Å; A441-A445 PolarHBondContact O-N 3.17Å |
| 442 | L | 92.9 | Very high | 80.7 | Confident | 100 Ų | 100 | 107.6 Ų | 107.6 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.1 | -42.9 | 174.8 | -177 | 65.6 | 0 | 0 | 0 | 112.1 | L438 N439 R440 A445 L446 | L438-L442 WeakPolarHBondContact O-CB 3.39Å; L438-L442 PolarHBondContact O-N 3.32Å; N439-L442 WeakPolarHBondContact O-CB 3.28Å; N439-L442 PolarHBondContact O-N 3.3Å; R440-L442 PolarHBondContact O-N 3.47Å; L442-A445 PolarHBondContact O-N 3.49Å; L442-L446 HydrophobicContact CD1-CD1 4.38Å; L442-L446 HydrophobicContact CG-CD1 4.09Å; L442-L446 WeakPolarHBondContact O-CB 3.37Å; L442-L446 WeakPolarHBondContact O-CG 3.45Å; L442-L446 PolarHBondContact O-N 2.92Å |
| 443 | E | 90.4 | Very high | 77.8 | Confident | 116 Ų | 116 | 108.1 Ų | 108.1 | 54% | 0.542 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -41.9 | 172.8 | -75.6 | 177.5 | 161.9 | 0 | 0 | 111.8 | N439 R440 L446 N447 | N439-E443 WeakPolarHBondContact O-CG 3.44Å; N439-E443 PolarHBondContact O-N 3.49Å; R440-E443 PolarHBondContact O-N 2.93Å; E443-L446 PolarHBondContact O-N 3.31Å; E443-N447 VanDerWaalsContact O-CB 3.29Å; E443-N447 WeakPolarHBondContact O-CB 3.49Å; E443-N447 VanDerWaalsContact O-CG 3.3Å; E443-N447 PolarHBondContact O-N 3.04Å; E443-N447 PolarHBondContact O-ND2 3.25Å; E443-N447 VanDerWaalsContact O-ND2 3.09Å |
| 444 | E | 87.6 | Confident | 75 | Confident | 113 Ų | 113 | 107.9 Ų | 107.9 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62 | -46.2 | 174.1 | -74.2 | 168.7 | -167.3 | 0 | 0 | 111 | R440 L446 N447 L448 | R440-E444 HydrophobicContact CG-CG 4.43Å; R440-E444 VanDerWaalsContact CG-OE1 3.23Å; R440-E444 WeakPolarHBondContact CG-OE1 3.32Å; R440-E444 WeakPolarHBondContact O-CB 3.41Å; R440-E444 VanDerWaalsContact O-CG 3.31Å; R440-E444 WeakPolarHBondContact O-CG 3.35Å; R440-E444 PolarHBondContact O-N 2.86Å; E444-L446 PolarHBondContact O-N 3.17Å; E444-N447 PolarHBondContact O-N 2.8Å; E444-L448 WeakPolarHBondContact O-CB 3.47Å; E444-L448 WeakPolarHBondContact O-CD1 3.38Å; E444-L448 VanDerWaalsContact O-CG 3.23Å; E444-L448 WeakPolarHBondContact O-CG 3.39Å; E444-L448 PolarHBondContact O-N 3.2Å |
| 445 | A | 83 | Confident | 72 | Confident | 54 Ų | 54 | 112.2 Ų | 112.2 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.1 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A441 L442 H449 | A441-A445 WeakPolarHBondContact O-CB 3.49Å; A441-A445 PolarHBondContact O-N 3.17Å; L442-A445 PolarHBondContact O-N 3.49Å; A445-H449 PolarHBondContact O-N 3.42Å |
| 446 | L | 76.1 | Confident | 69.1 | Low | 109 Ų | 109 | 117.1 Ų | 117.1 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.1 | -39.5 | 176.6 | -77.3 | 165.5 | 0 | 0 | 0 | 112.5 | L442 E443 E444 L448 H449 | L442-L446 HydrophobicContact CD1-CD1 4.38Å; L442-L446 HydrophobicContact CG-CD1 4.09Å; L442-L446 WeakPolarHBondContact O-CB 3.37Å; L442-L446 WeakPolarHBondContact O-CG 3.45Å; L442-L446 PolarHBondContact O-N 2.92Å; E443-L446 PolarHBondContact O-N 3.31Å; E444-L446 PolarHBondContact O-N 3.17Å; L446-L448 VanDerWaalsContact C-N 3.27Å; L446-L448 PolarHBondContact O-N 3.01Å; L446-H449 CarbonylContact O-C 3.51Å; L446-H449 WeakPolarHBondContact O-CA 3.47Å; L446-H449 PolarHBondContact O-N 3.05Å |
| 447 | N | 69.5 | Low | 67.7 | Low | 127 Ų | 127 | 116.5 Ų | 116.5 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.3 | -29.9 | 175 | -78.2 | -39.2 | 0 | 0 | 0 | 112.2 | E443 E444 H449 | E443-N447 VanDerWaalsContact O-CB 3.29Å; E443-N447 WeakPolarHBondContact O-CB 3.49Å; E443-N447 VanDerWaalsContact O-CG 3.3Å; E443-N447 PolarHBondContact O-N 3.04Å; E443-N447 PolarHBondContact O-ND2 3.25Å; E443-N447 VanDerWaalsContact O-ND2 3.09Å; E444-N447 PolarHBondContact O-N 2.8Å; N447-H449 PolarHBondContact O-N 3.27Å |
| 448 | L | 59.8 | Low | 65.5 | Low | 147 Ų | 147 | 116.2 Ų | 116.2 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -5.4 | 169.5 | -68.9 | 166.5 | 0 | 0 | 0 | 113.7 | E444 L446 | E444-L448 WeakPolarHBondContact O-CB 3.47Å; E444-L448 WeakPolarHBondContact O-CD1 3.38Å; E444-L448 VanDerWaalsContact O-CG 3.23Å; E444-L448 WeakPolarHBondContact O-CG 3.39Å; E444-L448 PolarHBondContact O-N 3.2Å; L446-L448 VanDerWaalsContact C-N 3.27Å; L446-L448 PolarHBondContact O-N 3.01Å |
| 449 | H | 46.4 | Very low | 62.8 | Low | 166 Ų | 166 | 115.2 Ų | 115.2 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | 22.2 | -178 | -109.5 | 64.3 | 0 | 0 | 0 | 114.4 | A445 L446 N447 | A445-H449 PolarHBondContact O-N 3.42Å; L446-H449 CarbonylContact O-C 3.51Å; L446-H449 WeakPolarHBondContact O-CA 3.47Å; L446-H449 PolarHBondContact O-N 3.05Å; N447-H449 PolarHBondContact O-N 3.27Å |
| 450 | S | 38.3 | Very low | 60.7 | Low | 97 Ų | 97 | 116.7 Ų | 116.7 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | -107.6 | 105.6 | 164 | -154.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 451 | P | 43.1 | Very low | 58.4 | Low | 116 Ų | 116 | 111.5 Ų | 111.5 | 75% | 0.753 | 68% | 0.677 | S | S | * | * | S | Bend | -131 | 152.1 | 65.6 | 38.6 | -27.9 | 0 | 0 | 0 | 116.7 | |||
| 452 | S | 40.2 | Very low | 56.6 | Low | 118 Ų | 118 | 115.7 Ų | 115.7 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | trans | 60.1 | 97.4 | 149.5 | -170.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 453 | A | 36 | Very low | 54.7 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | trans | -139.3 | 121.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 454 | S | 38.8 | Very low | 53.2 | Low | 103 Ų | 103 | 115.9 Ų | 115.9 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | trans | -92.4 | 159.1 | 175.8 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 455 | Q | 35.2 | Very low | 52.1 | Low | 173 Ų | 173 | 115.1 Ų | 115.1 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | trans | 80.5 | 103.3 | 160.8 | -60.4 | -177.2 | 12.6 | 0 | 0 | 120.1 | ||||
| 456 | Q | 36.8 | Very low | 51.4 | Low | 185 Ų | 185 | 115.3 Ų | 115.3 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | 66.5 | 157.4 | 120.5 | -84.3 | -160.6 | -77.6 | 0 | 0 | 123.1 | |||||
| 457 | P | 66.1 | Low | 51.2 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | trans | -98.4 | 169.7 | -163.5 | 44 | -39.6 | 0 | 0 | 0 | 112.6 | ||||
| 458 | P | 52.6 | Low | 51.6 | Low | 130 Ų | 130 | 111 Ų | 111 | 84% | 0.844 | 69% | 0.685 | S | S | * | * | -150.7 | 170.8 | 86.8 | 38.5 | -20 | 0 | 0 | 0 | 115.7 | |||||
| 459 | G | 39.3 | Very low | 52.5 | Low | 66 Ų | 66 | 108.7 Ų | 108.7 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | trans | 168.3 | 80.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116 | G461 | G459-G461 PolarHBondContact O-N 3.38Š| ||
| 460 | P | 53.5 | Low | 54.3 | Low | 115 Ų | 115 | 106.8 Ų | 106.8 | 75% | 0.747 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 51.1 | -178.9 | 35.3 | -36.7 | 0 | 0 | 0 | 113.2 | ||
| 461 | G | 47.7 | Very low | 56.7 | Low | 54 Ų | 54 | 109 Ų | 109 | 56% | 0.557 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -39.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G459 F463 | G459-G461 PolarHBondContact O-N 3.38Å; G461-F463 PolarHBondContact O-N 3.27Å |
| 462 | N | 54.2 | Low | 58.7 | Low | 130 Ų | 130 | 109.9 Ų | 109.9 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 2.4 | -165.9 | -72.7 | 5 | 0 | 0 | 0 | 115.4 | A464 D465 A466 | N462-A464 VanDerWaalsContact C-N 3.34Å; N462-A464 PolarHBondContact O-N 3.19Å; N462-D465 PolarHBondContact O-N 3.13Å; N462-A466 VanDerWaalsContact O-CB 3.26Å; N462-A466 WeakPolarHBondContact O-CB 3.4Å; N462-A466 PolarHBondContact O-N 2.98Å |
| 463 | F | 53.5 | Low | 61.1 | Low | 160 Ų | 160 | 109.7 Ų | 109.7 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66 | -34.1 | -179.3 | -78.5 | -79.7 | 0 | 0 | 0 | 113.1 | G461 A467 | G461-F463 PolarHBondContact O-N 3.27Å; F463-A467 WeakPolarHBondContact O-CB 3.49Å; F463-A467 PolarHBondContact O-N 3.29Å |
| 464 | A | 60.4 | Low | 63.7 | Low | 61 Ų | 61 | 110 Ų | 110 | 50% | 0.504 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.1 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N462 A467 N468 | N462-A464 VanDerWaalsContact C-N 3.34Å; N462-A464 PolarHBondContact O-N 3.19Å; A464-A467 PolarHBondContact O-N 3.04Å; A464-N468 WeakPolarHBondContact O-CB 3.34Å; A464-N468 VanDerWaalsContact O-CG 3.25Å; A464-N468 PolarHBondContact O-N 2.8Å; A464-N468 PolarHBondContact O-ND2 3.29Å |
| 465 | D | 63 | Low | 66.4 | Low | 96 Ų | 96 | 110.1 Ų | 110.1 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.8 | -34.5 | 179 | -70 | -37.7 | 0 | 0 | 0 | 112.8 | N462 N468 N469 | N462-D465 PolarHBondContact O-N 3.13Å; D465-N468 PolarHBondContact O-N 2.9Å; D465-N469 WeakPolarHBondContact O-CB 3.2Å; D465-N469 PolarHBondContact O-N 3.39Å; D465-N469 PolarHBondContact O-ND2 3.42Å |
| 466 | A | 68.6 | Low | 69.1 | Low | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.9 | -43.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N462 N469 L470 | N462-A466 VanDerWaalsContact O-CB 3.26Å; N462-A466 WeakPolarHBondContact O-CB 3.4Å; N462-A466 PolarHBondContact O-N 2.98Å; A466-N469 PolarHBondContact O-N 3.1Å; A466-L470 WeakPolarHBondContact O-CB 3.46Å; A466-L470 PolarHBondContact O-N 3.03Å |
| 467 | A | 72.4 | Confident | 71.8 | Confident | 49 Ų | 49 | 101 Ų | 101 | 41% | 0.405 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67 | -37.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F463 A464 L470 K471 | F463-A467 WeakPolarHBondContact O-CB 3.49Å; F463-A467 PolarHBondContact O-N 3.29Å; A464-A467 PolarHBondContact O-N 3.04Å; A467-L470 PolarHBondContact O-N 2.85Å; A467-K471 PolarHBondContact O-N 3.29Å |
| 468 | N | 77.9 | Confident | 73.2 | Confident | 96 Ų | 96 | 101 Ų | 101 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.2 | -40.3 | 174 | -74.9 | -30.5 | 0 | 0 | 0 | 111.9 | A464 D465 K472 | A464-N468 WeakPolarHBondContact O-CB 3.34Å; A464-N468 VanDerWaalsContact O-CG 3.25Å; A464-N468 PolarHBondContact O-N 2.8Å; A464-N468 PolarHBondContact O-ND2 3.29Å; D465-N468 PolarHBondContact O-N 2.9Å; N468-K472 WeakPolarHBondContact O-CB 3.29Å; N468-K472 PolarHBondContact O-N 2.9Å |
| 469 | N | 78.7 | Confident | 75.1 | Confident | 99 Ų | 99 | 98.3 Ų | 98.3 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -38.2 | 173.7 | -81.1 | -72.7 | 0 | 0 | 0 | 112 | D465 A466 K472 Q473 | D465-N469 WeakPolarHBondContact O-CB 3.2Å; D465-N469 PolarHBondContact O-N 3.39Å; D465-N469 PolarHBondContact O-ND2 3.42Å; A466-N469 PolarHBondContact O-N 3.1Å; N469-K472 PolarHBondContact O-N 3.48Å; N469-Q473 WeakPolarHBondContact O-CB 3.46Å; N469-Q473 PolarHBondContact O-N 2.87Å |
| 470 | L | 84.1 | Confident | 77.8 | Confident | 126 Ų | 126 | 97.9 Ų | 97.9 | 66% | 0.66 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -46.6 | 174.9 | -168.7 | 68.3 | 0 | 0 | 0 | 111.4 | A466 A467 K472 Q473 E474 | A466-L470 WeakPolarHBondContact O-CB 3.46Å; A466-L470 PolarHBondContact O-N 3.03Å; A467-L470 PolarHBondContact O-N 2.85Å; L470-K472 VanDerWaalsContact C-N 3.32Å; L470-K472 PolarHBondContact O-N 2.89Å; L470-Q473 PolarHBondContact O-N 3.34Å; L470-E474 WeakPolarHBondContact O-CB 3.39Å; L470-E474 PolarHBondContact O-N 3.05Å |
| 471 | K | 87.9 | Confident | 79.9 | Confident | 143 Ų | 143 | 96.7 Ų | 96.7 | 62% | 0.622 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.6 | -39.6 | 172.7 | -81.3 | -179.8 | 173.4 | 177.8 | 0 | 112.9 | A467 E474 L475 | A467-K471 PolarHBondContact O-N 3.29Å; K471-E474 PolarHBondContact O-N 3.28Å; K471-L475 WeakPolarHBondContact O-CB 3.25Å; K471-L475 PolarHBondContact O-N 2.9Å |
| 472 | K | 86.4 | Confident | 82.3 | Confident | 134 Ų | 134 | 98.8 Ų | 98.8 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 175.9 | -177.4 | -177.9 | 175.9 | -173.9 | 0 | 111.4 | N468 N469 L470 L475 L476 | N468-K472 WeakPolarHBondContact O-CB 3.29Å; N468-K472 PolarHBondContact O-N 2.9Å; N469-K472 PolarHBondContact O-N 3.48Å; L470-K472 VanDerWaalsContact C-N 3.32Å; L470-K472 PolarHBondContact O-N 2.89Å; K472-L475 PolarHBondContact O-N 2.93Å; K472-L476 WeakPolarHBondContact O-CG 3.24Å; K472-L476 PolarHBondContact O-N 3.13Å |
| 473 | Q | 90.5 | Very high | 84.3 | Confident | 114 Ų | 114 | 99.6 Ų | 99.6 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.8 | -174.5 | 59.5 | 39.6 | 0 | 0 | 111.6 | N469 L470 L476 T477 | N469-Q473 WeakPolarHBondContact O-CB 3.46Å; N469-Q473 PolarHBondContact O-N 2.87Å; L470-Q473 PolarHBondContact O-N 3.34Å; Q473-L476 PolarHBondContact O-N 2.77Å; Q473-T477 PolarHBondContact O-N 3.39Å; Q473-T477 PolarHBondContact O-OG1 2.89Å |
| 474 | E | 90.1 | Very high | 86.4 | Confident | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.2 | -174.9 | 177.5 | -163.8 | 0 | 0 | 111.7 | L470 K471 L476 T477 Q478 | L470-E474 WeakPolarHBondContact O-CB 3.39Å; L470-E474 PolarHBondContact O-N 3.05Å; K471-E474 PolarHBondContact O-N 3.28Å; E474-L476 PolarHBondContact O-N 3.4Å; E474-T477 WeakPolarHBondContact O-CB 3.42Å; E474-T477 PolarHBondContact O-N 3.42Å; E474-Q478 PolarHBondContact O-N 3.46Å |
| 475 | L | 94.5 | Very high | 88.1 | Confident | 105 Ų | 105 | 97.6 Ų | 97.6 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.2 | -157.6 | 89.8 | 0 | 0 | 0 | 112.1 | K471 K472 T477 Q478 I479 | K471-L475 WeakPolarHBondContact O-CB 3.25Å; K471-L475 PolarHBondContact O-N 2.9Å; K472-L475 PolarHBondContact O-N 2.93Å; L475-T477 VanDerWaalsContact C-N 3.34Å; L475-Q478 PolarHBondContact O-N 3.22Å; L475-I479 HydrophobicContact CD2-CD1 4.37Å; L475-I479 HydrophobicContact CG-CD1 4.44Å; L475-I479 VanDerWaalsContact O-CG1 3.28Å; L475-I479 WeakPolarHBondContact O-CG1 3.41Å; L475-I479 PolarHBondContact O-N 3.22Å |
| 476 | L | 92.3 | Very high | 89.8 | Confident | 92 Ų | 92 | 96.9 Ų | 96.9 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 174.6 | -72.7 | 171.4 | 0 | 0 | 0 | 111.7 | K472 Q473 E474 I479 A480 | K472-L476 WeakPolarHBondContact O-CG 3.24Å; K472-L476 PolarHBondContact O-N 3.13Å; Q473-L476 PolarHBondContact O-N 2.77Å; E474-L476 PolarHBondContact O-N 3.4Å; L476-I479 PolarHBondContact O-N 2.97Å; L476-A480 PolarHBondContact O-N 3Å |
| 477 | T | 93.4 | Very high | 91.2 | Very high | 73 Ų | 73 | 98.2 Ų | 98.2 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 174.3 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | Q473 E474 L475 I479 A480 V481 | Q473-T477 PolarHBondContact O-N 3.39Å; Q473-T477 PolarHBondContact O-OG1 2.89Å; E474-T477 WeakPolarHBondContact O-CB 3.42Å; E474-T477 PolarHBondContact O-N 3.42Å; L475-T477 VanDerWaalsContact C-N 3.34Å; T477-I479 PolarHBondContact O-N 3.01Å; T477-A480 PolarHBondContact O-N 3.25Å; T477-V481 WeakPolarHBondContact O-CG2 3.42Å; T477-V481 PolarHBondContact O-N 2.98Å |
| 478 | Q | 95.4 | Very high | 92.4 | Very high | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 173.6 | -74.2 | -176.7 | 5.5 | 0 | 0 | 112 | E474 L475 A480 V481 L482 | E474-Q478 PolarHBondContact O-N 3.46Å; L475-Q478 PolarHBondContact O-N 3.22Å; Q478-A480 VanDerWaalsContact C-N 3.3Å; Q478-A480 PolarHBondContact O-N 2.88Å; Q478-V481 PolarHBondContact O-N 3.5Å; Q478-L482 WeakPolarHBondContact O-CB 3.36Å; Q478-L482 VanDerWaalsContact O-CG 3.32Å; Q478-L482 WeakPolarHBondContact O-CG 3.46Å; Q478-L482 PolarHBondContact O-N 3.18Å |
| 479 | I | 94.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 100 Ų | 100 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 175.7 | -69.1 | 164 | 0 | 0 | 0 | 111.1 | L475 L476 T477 K483 | L475-I479 HydrophobicContact CD2-CD1 4.37Å; L475-I479 HydrophobicContact CG-CD1 4.44Å; L475-I479 VanDerWaalsContact O-CG1 3.28Å; L475-I479 WeakPolarHBondContact O-CG1 3.41Å; L475-I479 PolarHBondContact O-N 3.22Å; L476-I479 PolarHBondContact O-N 2.97Å; T477-I479 PolarHBondContact O-N 3.01Å; I479-K483 HydrophobicContact CG2-CD 4.2Å; I479-K483 WeakPolarHBondContact O-CB 3.45Å; I479-K483 VanDerWaalsContact O-CG 3.27Å; I479-K483 WeakPolarHBondContact O-CG 3.44Å; I479-K483 PolarHBondContact O-N 3.39Å |
| 480 | A | 95.6 | Very high | 94.2 | Very high | 56 Ų | 56 | 100.5 Ų | 100.5 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L476 T477 Q478 K483 E484 | L476-A480 PolarHBondContact O-N 3Å; T477-A480 PolarHBondContact O-N 3.25Å; Q478-A480 VanDerWaalsContact C-N 3.3Å; Q478-A480 PolarHBondContact O-N 2.88Å; A480-K483 PolarHBondContact O-N 3.1Å; A480-E484 PolarHBondContact O-N 3.02Å |
| 481 | V | 97 | Very high | 94.8 | Very high | 91 Ų | 91 | 97.8 Ų | 97.8 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | T477 Q478 K483 E484 Q485 | T477-V481 WeakPolarHBondContact O-CG2 3.42Å; T477-V481 PolarHBondContact O-N 2.98Å; Q478-V481 PolarHBondContact O-N 3.5Å; V481-K483 VanDerWaalsContact C-N 3.35Å; V481-K483 PolarHBondContact O-N 2.99Å; V481-E484 PolarHBondContact O-N 3.46Å; V481-Q485 WeakPolarHBondContact O-CB 3.36Å; V481-Q485 PolarHBondContact O-N 3.03Å |
| 482 | L | 98.1 | Very high | 95.2 | Very high | 97 Ų | 97 | 94.5 Ų | 94.5 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 177.4 | -72.3 | 170.3 | 0 | 0 | 0 | 112.4 | Q478 Q485 V486 | Q478-L482 WeakPolarHBondContact O-CB 3.36Å; Q478-L482 VanDerWaalsContact O-CG 3.32Å; Q478-L482 WeakPolarHBondContact O-CG 3.46Å; Q478-L482 PolarHBondContact O-N 3.18Å; L482-Q485 PolarHBondContact O-N 2.96Å; L482-V486 WeakPolarHBondContact O-CG2 3.41Å; L482-V486 PolarHBondContact O-N 3.35Å |
| 483 | K | 96.6 | Very high | 95.8 | Very high | 147 Ų | 147 | 95.1 Ų | 95.1 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 173.4 | -79 | 174.5 | 176.9 | -175.4 | 0 | 112 | I479 A480 V481 Q485 V486 K487 | I479-K483 HydrophobicContact CG2-CD 4.2Å; I479-K483 WeakPolarHBondContact O-CB 3.45Å; I479-K483 VanDerWaalsContact O-CG 3.27Å; I479-K483 WeakPolarHBondContact O-CG 3.44Å; I479-K483 PolarHBondContact O-N 3.39Å; A480-K483 PolarHBondContact O-N 3.1Å; V481-K483 VanDerWaalsContact C-N 3.35Å; V481-K483 PolarHBondContact O-N 2.99Å; K483-Q485 VanDerWaalsContact C-N 3.33Å; K483-V486 PolarHBondContact O-N 3.23Å; K483-K487 WeakPolarHBondContact O-CB 3.34Å; K483-K487 PolarHBondContact O-N 3.43Å |
| 484 | E | 97.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 96.6 Ų | 96.6 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.5 | -34.9 | 177.7 | -158.5 | 63.1 | -160.7 | 0 | 0 | 111.2 | A480 V481 K487 I488 | A480-E484 PolarHBondContact O-N 3.02Å; V481-E484 PolarHBondContact O-N 3.46Å; E484-K487 PolarHBondContact O-N 2.86Å; E484-K487 IonicContact OE1-NZ 3.51Å; E484-K487 PolarHBondContact OE1-NZ 2.76Å; E484-K487 IonicContact OE2-NZ 2.65Å; E484-I488 VanDerWaalsContact O-CG1 3.28Å; E484-I488 WeakPolarHBondContact O-CG1 3.21Å; E484-I488 PolarHBondContact O-N 3.11Å |
| 485 | Q | 96.1 | Very high | 96.5 | Very high | 88 Ų | 88 | 96.6 Ų | 96.6 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 172.8 | -174 | 177.8 | 10.4 | 0 | 0 | 112.5 | V481 L482 K483 K487 I488 F489 | V481-Q485 WeakPolarHBondContact O-CB 3.36Å; V481-Q485 PolarHBondContact O-N 3.03Å; L482-Q485 PolarHBondContact O-N 2.96Å; K483-Q485 VanDerWaalsContact C-N 3.33Å; Q485-K487 VanDerWaalsContact C-N 3.33Å; Q485-I488 PolarHBondContact O-N 3.13Å; Q485-F489 HydrophobicContact CG-CD2 4.19Å; Q485-F489 HydrophobicContact CG-CE2 3.68Å; Q485-F489 HydrophobicContact CG-CZ 4.05Å; Q485-F489 WeakPolarHBondContact O-CD2 3.38Å; Q485-F489 WeakPolarHBondContact O-CG 3.19Å; Q485-F489 PolarHBondContact O-N 3.01Å |
| 486 | V | 98 | Very high | 96.6 | Very high | 80 Ų | 80 | 97.3 Ų | 97.3 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 173.8 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | L482 K483 I488 F489 E490 | L482-V486 WeakPolarHBondContact O-CG2 3.41Å; L482-V486 PolarHBondContact O-N 3.35Å; K483-V486 PolarHBondContact O-N 3.23Å; V486-I488 PolarHBondContact O-N 2.88Å; V486-F489 PolarHBondContact O-N 2.84Å; V486-E490 HydrophobicContact CG1-CG 4.41Å; V486-E490 WeakPolarHBondContact O-CG 3.36Å; V486-E490 PolarHBondContact O-N 3.26Å |
| 487 | K | 97.6 | Very high | 96.9 | Very high | 88 Ų | 88 | 100.4 Ų | 100.4 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 177.1 | 178.1 | -178.4 | 156.6 | -139.1 | 0 | 112.6 | K483 E484 Q485 E490 E491 | K483-K487 WeakPolarHBondContact O-CB 3.34Å; K483-K487 PolarHBondContact O-N 3.43Å; E484-K487 PolarHBondContact O-N 2.86Å; E484-K487 IonicContact OE1-NZ 3.51Å; E484-K487 PolarHBondContact OE1-NZ 2.76Å; E484-K487 IonicContact OE2-NZ 2.65Å; Q485-K487 VanDerWaalsContact C-N 3.33Å; K487-E490 PolarHBondContact O-N 3.48Å; K487-E491 WeakPolarHBondContact CE-OE1 3.37Å; K487-E491 WeakPolarHBondContact O-CG 3.45Å; K487-E491 PolarHBondContact O-N 2.89Å |
| 488 | I | 97.3 | Very high | 97 | Very high | 81 Ų | 81 | 99.8 Ų | 99.8 | 42% | 0.415 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 173.1 | -69.9 | 162.3 | 0 | 0 | 0 | 110.1 | E484 Q485 V486 E490 E491 D492 | E484-I488 VanDerWaalsContact O-CG1 3.28Å; E484-I488 WeakPolarHBondContact O-CG1 3.21Å; E484-I488 PolarHBondContact O-N 3.11Å; Q485-I488 PolarHBondContact O-N 3.13Å; V486-I488 PolarHBondContact O-N 2.88Å; I488-E490 VanDerWaalsContact C-N 3.34Å; I488-E490 PolarHBondContact O-N 3.33Å; I488-E491 WeakPolarHBondContact O-CB 3.48Å; I488-E491 PolarHBondContact O-N 3.21Å; I488-E491 VanDerWaalsContact O-N 3.1Å; I488-D492 PolarHBondContact O-N 3.42Å |
| 489 | F | 98.3 | Very high | 97 | Very high | 102 Ų | 102 | 98.3 Ų | 98.3 | 45% | 0.447 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 176.4 | -65.9 | -35.2 | 0 | 0 | 0 | 112.9 | Q485 V486 E491 D492 F493 | Q485-F489 HydrophobicContact CG-CD2 4.19Å; Q485-F489 HydrophobicContact CG-CE2 3.68Å; Q485-F489 HydrophobicContact CG-CZ 4.05Å; Q485-F489 WeakPolarHBondContact O-CD2 3.38Å; Q485-F489 WeakPolarHBondContact O-CG 3.19Å; Q485-F489 PolarHBondContact O-N 3.01Å; V486-F489 PolarHBondContact O-N 2.84Å; F489-E491 VanDerWaalsContact C-N 3.3Å; F489-E491 PolarHBondContact O-N 2.75Å; F489-D492 PolarHBondContact O-N 3.3Å; F489-F493 WeakPolarHBondContact O-CB 3.34Å; F489-F493 WeakPolarHBondContact O-CD2 3.45Å; F489-F493 PolarHBondContact O-N 2.86Å |
| 490 | E | 97.6 | Very high | 97.2 | Very high | 109 Ų | 109 | 102.7 Ų | 102.7 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -31.1 | 173.5 | -74.5 | 177.6 | -175.2 | 0 | 0 | 113.4 | V486 K487 I488 R494 | V486-E490 HydrophobicContact CG1-CG 4.41Å; V486-E490 WeakPolarHBondContact O-CG 3.36Å; V486-E490 PolarHBondContact O-N 3.26Å; K487-E490 PolarHBondContact O-N 3.48Å; I488-E490 VanDerWaalsContact C-N 3.34Å; I488-E490 PolarHBondContact O-N 3.33Å; E490-R494 PolarHBondContact O-N 3.3Å; E490-R494 PolarHBondContact O-NE 2.92Å; E490-R494 PolarHBondContact O-NH2 3.08Å |
| 491 | E | 96.8 | Very high | 97.2 | Very high | 69 Ų | 69 | 105.1 Ų | 105.1 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.7 | -42.4 | 172.4 | -74 | 178.4 | -158.7 | 0 | 0 | 111.3 | K487 I488 F489 R494 K495 | K487-E491 WeakPolarHBondContact CE-OE1 3.37Å; K487-E491 WeakPolarHBondContact O-CG 3.45Å; K487-E491 PolarHBondContact O-N 2.89Å; I488-E491 WeakPolarHBondContact O-CB 3.48Å; I488-E491 PolarHBondContact O-N 3.21Å; I488-E491 VanDerWaalsContact O-N 3.1Å; F489-E491 VanDerWaalsContact C-N 3.3Å; F489-E491 PolarHBondContact O-N 2.75Å; E491-R494 VanDerWaalsContact CG-NH2 3.32Å; E491-R494 WeakPolarHBondContact O-CB 3.43Å; E491-R494 PolarHBondContact O-N 3.34Å; E491-K495 WeakPolarHBondContact O-CG 3.28Å; E491-K495 PolarHBondContact O-N 2.92Å |
| 492 | D | 96.3 | Very high | 97.2 | Very high | 74 Ų | 74 | 107.1 Ų | 107.1 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 177.6 | -67.2 | -21.3 | 0 | 0 | 0 | 111.7 | I488 F489 R494 K495 E496 | I488-D492 PolarHBondContact O-N 3.42Å; F489-D492 PolarHBondContact O-N 3.3Å; D492-R494 VanDerWaalsContact C-N 3.26Å; D492-R494 PolarHBondContact O-N 2.96Å; D492-K495 PolarHBondContact O-N 2.88Å; D492-K495 IonicContact OD1-NZ 3.64Å; D492-E496 WeakPolarHBondContact O-CB 3.35Å; D492-E496 PolarHBondContact O-N 3.45Å |
| 493 | F | 98.2 | Very high | 97.1 | Very high | 147 Ų | 147 | 107.9 Ų | 107.9 | 65% | 0.645 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -28.7 | 173 | -82.6 | -62.5 | 0 | 0 | 0 | 113.3 | F489 R497 | F489-F493 WeakPolarHBondContact O-CB 3.34Å; F489-F493 WeakPolarHBondContact O-CD2 3.45Å; F489-F493 PolarHBondContact O-N 2.86Å; F493-R497 WeakPolarHBondContact O-CB 3.42Å; F493-R497 PolarHBondContact O-N 3.4Å |
| 494 | R | 97.8 | Very high | 97.1 | Very high | 144 Ų | 144 | 104.7 Ų | 104.7 | 54% | 0.543 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.2 | -44.7 | 172.5 | -96.9 | 175.5 | -71 | 150.4 | -3.7 | 111.8 | E490 E491 D492 R497 S498 | E490-R494 PolarHBondContact O-N 3.3Å; E490-R494 PolarHBondContact O-NE 2.92Å; E490-R494 PolarHBondContact O-NH2 3.08Å; E491-R494 VanDerWaalsContact CG-NH2 3.32Å; E491-R494 WeakPolarHBondContact O-CB 3.43Å; E491-R494 PolarHBondContact O-N 3.34Å; D492-R494 VanDerWaalsContact C-N 3.26Å; D492-R494 PolarHBondContact O-N 2.96Å; R494-R497 PolarHBondContact O-N 2.93Å; R494-S498 WeakPolarHBondContact O-CB 3.36Å; R494-S498 PolarHBondContact O-N 3.03Å |
| 495 | K | 97.3 | Very high | 97 | Very high | 114 Ų | 114 | 106.3 Ų | 106.3 | 50% | 0.496 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -51.3 | 176.3 | -70.8 | 168.8 | -170 | 159 | 0 | 111 | E491 D492 R497 S498 D499 | E491-K495 WeakPolarHBondContact O-CG 3.28Å; E491-K495 PolarHBondContact O-N 2.92Å; D492-K495 PolarHBondContact O-N 2.88Å; D492-K495 IonicContact OD1-NZ 3.64Å; K495-R497 VanDerWaalsContact C-N 3.27Å; K495-R497 PolarHBondContact O-N 2.88Å; K495-S498 PolarHBondContact O-N 3.46Å; K495-D499 PolarHBondContact O-N 3.35Å |
| 496 | E | 98 | Very high | 96.9 | Very high | 119 Ų | 119 | 107.6 Ų | 107.6 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.1 | -40.6 | 176.9 | 176.5 | 59.9 | -155.4 | 0 | 0 | 112 | D492 R500 | D492-E496 WeakPolarHBondContact O-CB 3.35Å; D492-E496 PolarHBondContact O-N 3.45Å; E496-R500 WeakPolarHBondContact O-CB 3.25Å; E496-R500 PolarHBondContact O-N 3.3Å |
| 497 | R | 97.1 | Very high | 96.8 | Very high | 157 Ų | 157 | 109.5 Ų | 109.5 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -46.1 | 174 | 174.5 | 169.6 | -94.1 | 91.3 | -3.4 | 112.2 | F493 R494 K495 R500 E501 | F493-R497 WeakPolarHBondContact O-CB 3.42Å; F493-R497 PolarHBondContact O-N 3.4Å; R494-R497 PolarHBondContact O-N 2.93Å; K495-R497 VanDerWaalsContact C-N 3.27Å; K495-R497 PolarHBondContact O-N 2.88Å; R497-R500 WeakPolarHBondContact O-CB 3.46Å; R497-R500 PolarHBondContact O-N 3.38Å; R497-E501 HydrophobicContact CG-CG 4.5Å; R497-E501 WeakPolarHBondContact CG-OE1 3.49Å; R497-E501 WeakPolarHBondContact O-CB 3.4Å; R497-E501 WeakPolarHBondContact O-CG 3.4Å; R497-E501 PolarHBondContact O-N 2.87Å |
| 498 | S | 95.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 107.5 Ų | 107.5 | 42% | 0.42 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | R494 K495 E501 R502 | R494-S498 WeakPolarHBondContact O-CB 3.36Å; R494-S498 PolarHBondContact O-N 3.03Å; K495-S498 PolarHBondContact O-N 3.46Å; S498-E501 PolarHBondContact O-N 3.45Å; S498-R502 WeakPolarHBondContact O-CB 3.3Å; S498-R502 PolarHBondContact O-N 2.93Å |
| 499 | D | 96.9 | Very high | 96.8 | Very high | 76 Ų | 76 | 108 Ų | 108 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.5 | -33.4 | 176.8 | -72.4 | -32.3 | 0 | 0 | 0 | 112 | K495 R502 M503 | K495-D499 PolarHBondContact O-N 3.35Å; D499-R502 IonicContact OD1-CZ 2.59Å; D499-R502 IonicContact OD1-NE 3.2Å; D499-R502 PolarHBondContact OD1-NE 3.14Å; D499-R502 IonicContact OD1-NH2 3.88Å; D499-R502 PolarHBondContact OD1-NH2 2.85Å; D499-M503 VanDerWaalsContact O-CB 3.25Å; D499-M503 WeakPolarHBondContact O-CB 3.41Å; D499-M503 PolarHBondContact O-N 3.35Å |
| 500 | R | 97.8 | Very high | 96.8 | Very high | 165 Ų | 165 | 108.1 Ų | 108.1 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -38.5 | 169.5 | -173 | -174.8 | -173.5 | 93.2 | 2.7 | 112.6 | E496 R497 N504 | E496-R500 WeakPolarHBondContact O-CB 3.25Å; E496-R500 PolarHBondContact O-N 3.3Å; R497-R500 WeakPolarHBondContact O-CB 3.46Å; R497-R500 PolarHBondContact O-N 3.38Å; R500-N504 VanDerWaalsContact O-CB 3.31Å; R500-N504 WeakPolarHBondContact O-CB 3.24Å; R500-N504 PolarHBondContact O-N 2.94Å |
| 501 | E | 95.6 | Very high | 96.7 | Very high | 107 Ų | 107 | 109.2 Ų | 109.2 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -50.6 | 175.9 | -76.9 | 162.8 | -174.6 | 0 | 0 | 110.4 | R497 S498 M503 N504 E505 | R497-E501 HydrophobicContact CG-CG 4.5Å; R497-E501 WeakPolarHBondContact CG-OE1 3.49Å; R497-E501 WeakPolarHBondContact O-CB 3.4Å; R497-E501 WeakPolarHBondContact O-CG 3.4Å; R497-E501 PolarHBondContact O-N 2.87Å; S498-E501 PolarHBondContact O-N 3.45Å; E501-M503 PolarHBondContact O-N 3.48Å; E501-N504 WeakPolarHBondContact O-CA 3.24Å; E501-N504 WeakPolarHBondContact O-CB 3.32Å; E501-N504 PolarHBondContact O-N 3.49Å; E501-E505 PolarHBondContact O-N 2.94Å |
| 502 | R | 96.9 | Very high | 96.8 | Very high | 133 Ų | 133 | 111.4 Ų | 111.4 | 50% | 0.502 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -53 | -49.8 | 173.3 | -169.8 | -151.6 | -49.2 | -102.3 | 3.3 | 112.5 | S498 D499 N504 E505 E506 | S498-R502 WeakPolarHBondContact O-CB 3.3Å; S498-R502 PolarHBondContact O-N 2.93Å; D499-R502 IonicContact OD1-CZ 2.59Å; D499-R502 IonicContact OD1-NE 3.2Å; D499-R502 PolarHBondContact OD1-NE 3.14Å; D499-R502 IonicContact OD1-NH2 3.88Å; D499-R502 PolarHBondContact OD1-NH2 2.85Å; R502-N504 VanDerWaalsContact C-N 3.27Å; R502-N504 PolarHBondContact O-N 3.12Å; R502-E505 WeakPolarHBondContact O-CB 3.5Å; R502-E505 PolarHBondContact O-N 3.46Å; R502-E506 PolarHBondContact O-N 3.39Å |
| 503 | M | 96.8 | Very high | 96.8 | Very high | 114 Ų | 114 | 112.4 Ų | 112.4 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -33.9 | 177.6 | -178 | -123.8 | -66.5 | 0 | 0 | 112.2 | D499 E501 K507 | D499-M503 VanDerWaalsContact O-CB 3.25Å; D499-M503 WeakPolarHBondContact O-CB 3.41Å; D499-M503 PolarHBondContact O-N 3.35Å; E501-M503 PolarHBondContact O-N 3.48Å; M503-K507 VanDerWaalsContact O-CB 3.3Å; M503-K507 WeakPolarHBondContact O-CB 3.44Å; M503-K507 PolarHBondContact O-N 3.27Å |
| 504 | N | 96.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 109.6 Ų | 109.6 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.5 | -31.3 | 176.7 | -170.3 | 75.1 | 0 | 0 | 0 | 112.4 | R500 E501 R502 E508 | R500-N504 VanDerWaalsContact O-CB 3.31Å; R500-N504 WeakPolarHBondContact O-CB 3.24Å; R500-N504 PolarHBondContact O-N 2.94Å; E501-N504 WeakPolarHBondContact O-CA 3.24Å; E501-N504 WeakPolarHBondContact O-CB 3.32Å; E501-N504 PolarHBondContact O-N 3.49Å; R502-N504 VanDerWaalsContact C-N 3.27Å; R502-N504 PolarHBondContact O-N 3.12Å; N504-E508 PolarHBondContact O-N 3.23Å |
| 505 | E | 95.1 | Very high | 96.7 | Very high | 127 Ų | 127 | 107.5 Ų | 107.5 | 59% | 0.593 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -50.1 | 169.6 | -68.8 | 174.9 | 165.8 | 0 | 0 | 111.3 | E501 R502 K507 E508 D509 | E501-E505 PolarHBondContact O-N 2.94Å; R502-E505 WeakPolarHBondContact O-CB 3.5Å; R502-E505 PolarHBondContact O-N 3.46Å; E505-K507 VanDerWaalsContact C-N 3.29Å; E505-K507 PolarHBondContact O-N 3.05Å; E505-E508 PolarHBondContact O-N 2.93Å; E505-E508 VanDerWaalsContact O-N 3.09Å; E505-D509 PolarHBondContact O-N 3.11Å |
| 506 | E | 94.8 | Very high | 96.7 | Very high | 114 Ų | 114 | 109 Ų | 109 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 175.3 | -71.7 | 176.7 | -164 | 0 | 0 | 111.9 | R502 D509 L510 | R502-E506 PolarHBondContact O-N 3.39Å; E506-D509 PolarHBondContact O-N 2.9Å; E506-L510 WeakPolarHBondContact O-CB 3.27Å; E506-L510 WeakPolarHBondContact O-CG 3.43Å; E506-L510 PolarHBondContact O-N 2.87Å |
| 507 | K | 94.8 | Very high | 96.7 | Very high | 120 Ų | 120 | 107.4 Ų | 107.4 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 175 | 176.8 | -168.8 | 165.5 | -159.4 | 0 | 112.4 | M503 E505 R511 | M503-K507 VanDerWaalsContact O-CB 3.3Å; M503-K507 WeakPolarHBondContact O-CB 3.44Å; M503-K507 PolarHBondContact O-N 3.27Å; E505-K507 VanDerWaalsContact C-N 3.29Å; E505-K507 PolarHBondContact O-N 3.05Å; K507-R511 WeakPolarHBondContact O-CB 3.48Å; K507-R511 PolarHBondContact O-N 3.25Å |
| 508 | E | 97.4 | Very high | 96.7 | Very high | 47 Ų | 47 | 105.8 Ų | 105.8 | 22% | 0.22 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -72.4 | -29.8 | 178.1 | -74 | -66 | 130.6 | 0 | 0 | 112.1 | N504 E505 R511 R512 | N504-E508 PolarHBondContact O-N 3.23Å; E505-E508 PolarHBondContact O-N 2.93Å; E505-E508 VanDerWaalsContact O-N 3.09Å; E508-R511 WeakPolarHBondContact O-CB 3.28Å; E508-R511 PolarHBondContact O-N 2.89Å; E508-R511 IonicContact OE1-NH1 2.87Å; E508-R511 PolarHBondContact OE1-NH1 3.44Å; E508-R511 WeakPolarHBondContact OE2-CD 3.24Å; E508-R511 IonicContact OE2-NH1 3.48Å; E508-R512 WeakPolarHBondContact O-CG 2.84Å; E508-R512 PolarHBondContact O-N 3.48Å |
| 509 | D | 97.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 171.4 | -88.3 | -17.2 | 0 | 0 | 0 | 113.2 | E505 E506 R511 R512 Q513 | E505-D509 PolarHBondContact O-N 3.11Å; E506-D509 PolarHBondContact O-N 2.9Å; D509-R511 VanDerWaalsContact C-N 3.31Å; D509-R511 PolarHBondContact O-N 3.13Å; D509-R512 PolarHBondContact O-N 2.94Å; D509-R512 IonicContact OD1-CZ 3.6Å; D509-R512 IonicContact OD1-NH1 3.57Å; D509-R512 PolarHBondContact OD1-NH1 2.96Å; D509-Q513 PolarHBondContact O-N 3.46Å |
| 510 | L | 97.9 | Very high | 96.7 | Very high | 104 Ų | 104 | 106.3 Ų | 106.3 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 170.6 | -73 | 172.2 | 0 | 0 | 0 | 110.9 | E506 Q513 V514 | E506-L510 WeakPolarHBondContact O-CB 3.27Å; E506-L510 WeakPolarHBondContact O-CG 3.43Å; E506-L510 PolarHBondContact O-N 2.87Å; L510-Q513 WeakPolarHBondContact O-CB 3.27Å; L510-Q513 PolarHBondContact O-N 3.39Å; L510-Q513 VanDerWaalsContact O-N 3.15Å; L510-V514 WeakPolarHBondContact O-CG2 3.44Å; L510-V514 PolarHBondContact O-N 3.28Å |
| 511 | R | 97.4 | Very high | 96.7 | Very high | 133 Ų | 133 | 103.6 Ų | 103.6 | 50% | 0.502 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 174.1 | -178.4 | -171.2 | 175.7 | 166.9 | 3.7 | 111.9 | K507 E508 D509 Q513 V514 E515 | K507-R511 WeakPolarHBondContact O-CB 3.48Å; K507-R511 PolarHBondContact O-N 3.25Å; E508-R511 WeakPolarHBondContact O-CB 3.28Å; E508-R511 PolarHBondContact O-N 2.89Å; E508-R511 IonicContact OE1-NH1 2.87Å; E508-R511 PolarHBondContact OE1-NH1 3.44Å; E508-R511 WeakPolarHBondContact OE2-CD 3.24Å; E508-R511 IonicContact OE2-NH1 3.48Å; D509-R511 VanDerWaalsContact C-N 3.31Å; D509-R511 PolarHBondContact O-N 3.13Å; R511-Q513 PolarHBondContact O-N 3.08Å; R511-V514 PolarHBondContact O-N 3.04Å; R511-V514 VanDerWaalsContact O-N 3.16Å; R511-E515 WeakPolarHBondContact CG-OE1 3.49Å; R511-E515 IonicContact CZ-OE1 3.67Å; R511-E515 IonicContact NE-OE1 2.69Å; R511-E515 PolarHBondContact NE-OE1 3.48Å; R511-E515 IonicContact NH2-OE1 2.88Å; R511-E515 WeakPolarHBondContact O-CG 3.45Å; R511-E515 PolarHBondContact O-N 2.81Å |
| 512 | R | 97.8 | Very high | 96.7 | Very high | 114 Ų | 114 | 101.7 Ų | 101.7 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -34.1 | 175 | -68.9 | 164 | -166.9 | 132.5 | 7.7 | 111.9 | E508 D509 R516 | E508-R512 WeakPolarHBondContact O-CG 2.84Å; E508-R512 PolarHBondContact O-N 3.48Å; D509-R512 PolarHBondContact O-N 2.94Å; D509-R512 IonicContact OD1-CZ 3.6Å; D509-R512 IonicContact OD1-NH1 3.57Å; D509-R512 PolarHBondContact OD1-NH1 2.96Å; R512-R516 WeakPolarHBondContact O-CG 3.46Å; R512-R516 PolarHBondContact O-N 3.3Å; R512-R516 VanDerWaalsContact O-N 3.09Å; R512-R516 PolarHBondContact O-NH1 3Å |
| 513 | Q | 96.6 | Very high | 96.8 | Very high | 96 Ų | 96 | 100 Ų | 100 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 175.4 | -169.4 | -178.6 | 50.1 | 0 | 0 | 111.8 | D509 L510 R511 R516 L517 | D509-Q513 PolarHBondContact O-N 3.46Å; L510-Q513 WeakPolarHBondContact O-CB 3.27Å; L510-Q513 PolarHBondContact O-N 3.39Å; L510-Q513 VanDerWaalsContact O-N 3.15Å; R511-Q513 PolarHBondContact O-N 3.08Å; Q513-R516 PolarHBondContact O-N 3.26Å; Q513-L517 HydrophobicContact CG-CD1 4.28Å; Q513-L517 WeakPolarHBondContact O-CG 3.36Å; Q513-L517 PolarHBondContact O-N 3.39Å |
| 514 | V | 96.1 | Very high | 96.8 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L510 R511 R516 L517 Q518 | L510-V514 WeakPolarHBondContact O-CG2 3.44Å; L510-V514 PolarHBondContact O-N 3.28Å; R511-V514 PolarHBondContact O-N 3.04Å; R511-V514 VanDerWaalsContact O-N 3.16Å; V514-R516 VanDerWaalsContact C-N 3.34Å; V514-R516 PolarHBondContact O-N 3.03Å; V514-L517 PolarHBondContact O-N 3.3Å; V514-Q518 WeakPolarHBondContact O-CB 3.28Å; V514-Q518 PolarHBondContact O-N 2.86Å |
| 515 | E | 97.1 | Very high | 96.8 | Very high | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 177 | -71.9 | 171.2 | -171.9 | 0 | 0 | 111.8 | R511 G519 | R511-E515 WeakPolarHBondContact CG-OE1 3.49Å; R511-E515 IonicContact CZ-OE1 3.67Å; R511-E515 IonicContact NE-OE1 2.69Å; R511-E515 PolarHBondContact NE-OE1 3.48Å; R511-E515 IonicContact NH2-OE1 2.88Å; R511-E515 WeakPolarHBondContact O-CG 3.45Å; R511-E515 PolarHBondContact O-N 2.81Å; E515-G519 PolarHBondContact O-N 3.46Å |
| 516 | R | 97.6 | Very high | 96.9 | Very high | 145 Ų | 145 | 97.4 Ų | 97.4 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.1 | -74.5 | -172.9 | -56.8 | -92.7 | 7 | 112.8 | R512 Q513 V514 G519 Q520 | R512-R516 WeakPolarHBondContact O-CG 3.46Å; R512-R516 PolarHBondContact O-N 3.3Å; R512-R516 VanDerWaalsContact O-N 3.09Å; R512-R516 PolarHBondContact O-NH1 3Å; Q513-R516 PolarHBondContact O-N 3.26Å; V514-R516 VanDerWaalsContact C-N 3.34Å; V514-R516 PolarHBondContact O-N 3.03Å; R516-G519 PolarHBondContact O-N 3.35Å; R516-Q520 WeakPolarHBondContact O-CG 3.32Å; R516-Q520 PolarHBondContact O-N 2.94Å |
| 517 | L | 97.4 | Very high | 96.9 | Very high | 85 Ų | 85 | 97.5 Ų | 97.5 | 45% | 0.445 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 178.8 | -72.6 | 170.4 | 0 | 0 | 0 | 111.4 | Q513 V514 G519 Q520 I521 | Q513-L517 HydrophobicContact CG-CD1 4.28Å; Q513-L517 WeakPolarHBondContact O-CG 3.36Å; Q513-L517 PolarHBondContact O-N 3.39Å; V514-L517 PolarHBondContact O-N 3.3Å; L517-G519 VanDerWaalsContact C-N 3.33Å; L517-G519 PolarHBondContact O-N 3.49Å; L517-Q520 WeakPolarHBondContact O-CB 3.37Å; L517-Q520 PolarHBondContact O-N 2.89Å; L517-I521 WeakPolarHBondContact O-CG1 3.31Å; L517-I521 PolarHBondContact O-N 2.8Å |
| 518 | Q | 96.9 | Very high | 97 | Very high | 123 Ų | 123 | 96.9 Ų | 96.9 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 174.6 | -170.2 | 175.3 | 9.4 | 0 | 0 | 111.9 | V514 I521 T522 | V514-Q518 WeakPolarHBondContact O-CB 3.28Å; V514-Q518 PolarHBondContact O-N 2.86Å; Q518-I521 PolarHBondContact O-N 2.71Å; Q518-T522 WeakPolarHBondContact O-CB 3.49Å; Q518-T522 PolarHBondContact O-N 2.95Å; Q518-T522 PolarHBondContact O-OG1 3.46Å |
| 519 | G | 96.8 | Very high | 97 | Very high | 32 Ų | 32 | 99.1 Ų | 99.1 | 33% | 0.33 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E515 R516 L517 T522 N523 | E515-G519 PolarHBondContact O-N 3.46Å; R516-G519 PolarHBondContact O-N 3.35Å; L517-G519 VanDerWaalsContact C-N 3.33Å; L517-G519 PolarHBondContact O-N 3.49Å; G519-T522 PolarHBondContact O-N 2.9Å; G519-N523 VanDerWaalsContact O-CG 3.29Å; G519-N523 PolarHBondContact O-N 3.35Å; G519-N523 PolarHBondContact O-ND2 2.97Å |
| 520 | Q | 96.7 | Very high | 96.9 | Very high | 115 Ų | 115 | 100.3 Ų | 100.3 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 175.2 | -71.7 | 177.6 | -7.7 | 0 | 0 | 112.4 | R516 L517 T522 N523 L524 | R516-Q520 WeakPolarHBondContact O-CG 3.32Å; R516-Q520 PolarHBondContact O-N 2.94Å; L517-Q520 WeakPolarHBondContact O-CB 3.37Å; L517-Q520 PolarHBondContact O-N 2.89Å; Q520-T522 VanDerWaalsContact C-N 3.31Å; Q520-T522 PolarHBondContact O-N 2.86Å; Q520-N523 PolarHBondContact O-N 2.89Å; Q520-L524 WeakPolarHBondContact O-CB 3.3Å; Q520-L524 WeakPolarHBondContact O-CG 3.35Å; Q520-L524 PolarHBondContact O-N 2.84Å |
| 521 | I | 97.6 | Very high | 96.6 | Very high | 109 Ų | 109 | 98 Ų | 98 | 56% | 0.559 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.6 | -43.7 | 175.4 | -69.8 | 165.5 | 0 | 0 | 0 | 110.4 | L517 Q518 N523 L524 T525 | L517-I521 WeakPolarHBondContact O-CG1 3.31Å; L517-I521 PolarHBondContact O-N 2.8Å; Q518-I521 PolarHBondContact O-N 2.71Å; I521-N523 PolarHBondContact O-N 3.48Å; I521-L524 PolarHBondContact O-N 3.41Å; I521-T525 VanDerWaalsContact O-CB 3.27Å; I521-T525 WeakPolarHBondContact O-CB 3.27Å; I521-T525 PolarHBondContact O-N 2.94Å; I521-T525 PolarHBondContact O-OG1 3.4Å |
| 522 | T | 96.7 | Very high | 96.6 | Very high | 67 Ų | 67 | 96 Ų | 96 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | Q518 G519 Q520 T525 N526 | Q518-T522 WeakPolarHBondContact O-CB 3.49Å; Q518-T522 PolarHBondContact O-N 2.95Å; Q518-T522 PolarHBondContact O-OG1 3.46Å; G519-T522 PolarHBondContact O-N 2.9Å; Q520-T522 VanDerWaalsContact C-N 3.31Å; Q520-T522 PolarHBondContact O-N 2.86Å; T522-T525 PolarHBondContact O-N 2.91Å; T522-N526 VanDerWaalsContact O-CG 3.28Å; T522-N526 PolarHBondContact O-N 3.41Å; T522-N526 PolarHBondContact O-ND2 2.85Å |
| 523 | N | 97.3 | Very high | 96.5 | Very high | 97 Ų | 97 | 94.7 Ų | 94.7 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 178.7 | -71.9 | -17.5 | 0 | 0 | 0 | 113 | G519 Q520 I521 N526 Q527 | G519-N523 VanDerWaalsContact O-CG 3.29Å; G519-N523 PolarHBondContact O-N 3.35Å; G519-N523 PolarHBondContact O-ND2 2.97Å; Q520-N523 PolarHBondContact O-N 2.89Å; I521-N523 PolarHBondContact O-N 3.48Å; N523-N526 PolarHBondContact O-N 3.32Å; N523-Q527 WeakPolarHBondContact O-CG 3.2Å; N523-Q527 PolarHBondContact O-N 3.04Å; N523-Q527 PolarHBondContact O-NE2 3.46Å |
| 524 | L | 97.3 | Very high | 96.4 | Very high | 109 Ų | 109 | 93.9 Ų | 93.9 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.4 | -37.9 | 175 | -72.2 | 170 | 0 | 0 | 0 | 111.6 | Q520 I521 N526 Q527 L528 | Q520-L524 WeakPolarHBondContact O-CB 3.3Å; Q520-L524 WeakPolarHBondContact O-CG 3.35Å; Q520-L524 PolarHBondContact O-N 2.84Å; I521-L524 PolarHBondContact O-N 3.41Å; L524-N526 VanDerWaalsContact C-N 3.34Å; L524-N526 PolarHBondContact O-N 3.45Å; L524-Q527 PolarHBondContact O-N 3.15Å; L524-L528 WeakPolarHBondContact O-CB 3.45Å; L524-L528 PolarHBondContact O-N 3.13Å |
| 525 | T | 96.3 | Very high | 96.3 | Very high | 62 Ų | 62 | 92 Ų | 92 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | I521 T522 L528 H529 | I521-T525 VanDerWaalsContact O-CB 3.27Å; I521-T525 WeakPolarHBondContact O-CB 3.27Å; I521-T525 PolarHBondContact O-N 2.94Å; I521-T525 PolarHBondContact O-OG1 3.4Å; T522-T525 PolarHBondContact O-N 2.91Å; T525-L528 PolarHBondContact O-N 3.22Å; T525-H529 PolarHBondContact O-N 3.1Å; T525-H529 PolarHBondContact O-ND1 3.33Å |
| 526 | N | 96.9 | Very high | 96.2 | Very high | 95 Ų | 95 | 92 Ų | 92 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176 | -70.2 | -19.4 | 0 | 0 | 0 | 112.1 | T522 N523 L524 L528 H529 Q530 | T522-N526 VanDerWaalsContact O-CG 3.28Å; T522-N526 PolarHBondContact O-N 3.41Å; T522-N526 PolarHBondContact O-ND2 2.85Å; N523-N526 PolarHBondContact O-N 3.32Å; L524-N526 VanDerWaalsContact C-N 3.34Å; L524-N526 PolarHBondContact O-N 3.45Å; N526-L528 VanDerWaalsContact C-N 3.34Å; N526-L528 PolarHBondContact O-N 3.4Å; N526-H529 PolarHBondContact O-N 3.36Å; N526-Q530 WeakPolarHBondContact O-CB 3.33Å; N526-Q530 PolarHBondContact O-N 3.04Å |
| 527 | Q | 94.9 | Very high | 96.1 | Very high | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 174.1 | -76.5 | 167 | 82.1 | 0 | 0 | 112.1 | N523 L524 Q530 A531 | N523-Q527 WeakPolarHBondContact O-CG 3.2Å; N523-Q527 PolarHBondContact O-N 3.04Å; N523-Q527 PolarHBondContact O-NE2 3.46Å; L524-Q527 PolarHBondContact O-N 3.15Å; Q527-Q530 PolarHBondContact O-N 2.9Å; Q527-A531 WeakPolarHBondContact O-CB 3.44Å; Q527-A531 PolarHBondContact O-N 2.84Å |
| 528 | L | 96.5 | Very high | 95.9 | Very high | 107 Ų | 107 | 93 Ų | 93 | 56% | 0.56 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 177 | -175.7 | 147 | 0 | 0 | 0 | 111.6 | L524 T525 N526 Q530 A531 Q532 | L524-L528 WeakPolarHBondContact O-CB 3.45Å; L524-L528 PolarHBondContact O-N 3.13Å; T525-L528 PolarHBondContact O-N 3.22Å; N526-L528 VanDerWaalsContact C-N 3.34Å; N526-L528 PolarHBondContact O-N 3.4Å; L528-Q530 VanDerWaalsContact C-N 3.34Å; L528-Q530 PolarHBondContact O-N 2.91Å; L528-A531 PolarHBondContact O-N 2.79Å; L528-Q532 VanDerWaalsContact O-CB 3.23Å; L528-Q532 WeakPolarHBondContact O-CB 3.42Å; L528-Q532 PolarHBondContact O-N 2.84Å |
| 529 | H | 97.3 | Very high | 95.7 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 44% | 0.44 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 173.2 | -77.9 | 83.4 | 0 | 0 | 0 | 112 | T525 N526 Q532 N533 | T525-H529 PolarHBondContact O-N 3.1Å; T525-H529 PolarHBondContact O-ND1 3.33Å; N526-H529 PolarHBondContact O-N 3.36Å; H529-Q532 PolarHBondContact O-N 2.83Å; H529-N533 WeakPolarHBondContact O-CB 3.16Å; H529-N533 PolarHBondContact O-N 3.49Å; H529-N533 PolarHBondContact O-ND2 2.87Å |
| 530 | Q | 95 | Very high | 95.5 | Very high | 115 Ų | 115 | 97.5 Ų | 97.5 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 176.1 | 179.5 | 175 | -10.3 | 0 | 0 | 111.7 | N526 Q527 L528 Q532 N533 E534 | N526-Q530 WeakPolarHBondContact O-CB 3.33Å; N526-Q530 PolarHBondContact O-N 3.04Å; Q527-Q530 PolarHBondContact O-N 2.9Å; L528-Q530 VanDerWaalsContact C-N 3.34Å; L528-Q530 PolarHBondContact O-N 2.91Å; Q530-Q532 VanDerWaalsContact C-N 3.29Å; Q530-Q532 PolarHBondContact O-N 3.33Å; Q530-N533 WeakPolarHBondContact O-CB 3.45Å; Q530-N533 PolarHBondContact O-N 2.96Å; Q530-N533 VanDerWaalsContact O-N 3.12Å; Q530-E534 VanDerWaalsContact CG-OE1 3.23Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.38Å; Q530-E534 PolarHBondContact NE2-OE1 3.45Å; Q530-E534 WeakPolarHBondContact O-CG 3.45Å; Q530-E534 PolarHBondContact O-N 3.31Å |
| 531 | A | 93.4 | Very high | 95.3 | Very high | 55 Ų | 55 | 96.7 Ų | 96.7 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q527 L528 E534 C535 | Q527-A531 WeakPolarHBondContact O-CB 3.44Å; Q527-A531 PolarHBondContact O-N 2.84Å; L528-A531 PolarHBondContact O-N 2.79Å; A531-E534 PolarHBondContact O-N 3.3Å; A531-C535 WeakPolarHBondContact O-CB 3.49Å; A531-C535 PolarHBondContact O-N 3.04Å |
| 532 | Q | 96.3 | Very high | 95.1 | Very high | 91 Ų | 91 | 100.2 Ų | 100.2 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 172.9 | 177.2 | 175.4 | -23.4 | 0 | 0 | 111.8 | L528 H529 Q530 E534 C535 Q536 | L528-Q532 VanDerWaalsContact O-CB 3.23Å; L528-Q532 WeakPolarHBondContact O-CB 3.42Å; L528-Q532 PolarHBondContact O-N 2.84Å; H529-Q532 PolarHBondContact O-N 2.83Å; Q530-Q532 VanDerWaalsContact C-N 3.29Å; Q530-Q532 PolarHBondContact O-N 3.33Å; Q532-E534 VanDerWaalsContact C-N 3.34Å; Q532-C535 PolarHBondContact O-N 2.86Å; Q532-Q536 WeakPolarHBondContact O-CB 3.35Å; Q532-Q536 WeakPolarHBondContact O-CG 3.28Å; Q532-Q536 PolarHBondContact O-N 3.48Å |
| 533 | N | 95.8 | Very high | 94.9 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 177.3 | -71 | -25.7 | 0 | 0 | 0 | 112.1 | H529 Q530 Q536 R537 | H529-N533 WeakPolarHBondContact O-CB 3.16Å; H529-N533 PolarHBondContact O-N 3.49Å; H529-N533 PolarHBondContact O-ND2 2.87Å; Q530-N533 WeakPolarHBondContact O-CB 3.45Å; Q530-N533 PolarHBondContact O-N 2.96Å; Q530-N533 VanDerWaalsContact O-N 3.12Å; N533-Q536 PolarHBondContact O-N 3.44Å; N533-R537 WeakPolarHBondContact O-CB 3.48Å; N533-R537 PolarHBondContact O-N 3.41Å |
| 534 | E | 93.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 101.6 Ų | 101.6 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -48.5 | 175 | -74.1 | 168.1 | -169.6 | 0 | 0 | 111.7 | Q530 A531 Q532 Q536 R537 E538 | Q530-E534 VanDerWaalsContact CG-OE1 3.23Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.38Å; Q530-E534 PolarHBondContact NE2-OE1 3.45Å; Q530-E534 WeakPolarHBondContact O-CG 3.45Å; Q530-E534 PolarHBondContact O-N 3.31Å; A531-E534 PolarHBondContact O-N 3.3Å; Q532-E534 VanDerWaalsContact C-N 3.34Å; E534-Q536 VanDerWaalsContact C-N 3.32Å; E534-Q536 PolarHBondContact O-N 2.78Å; E534-R537 VanDerWaalsContact CG-NH2 3.33Å; E534-R537 WeakPolarHBondContact O-CB 3.3Å; E534-R537 PolarHBondContact O-N 2.94Å; E534-R537 VanDerWaalsContact O-N 3.13Å; E534-E538 PolarHBondContact O-N 2.8Å |
| 535 | C | 94.9 | Very high | 94.4 | Very high | 49 Ų | 49 | 101.9 Ų | 101.9 | 33% | 0.331 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 175 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | A531 Q532 R539 | A531-C535 WeakPolarHBondContact O-CB 3.49Å; A531-C535 PolarHBondContact O-N 3.04Å; Q532-C535 PolarHBondContact O-N 2.86Å; C535-R539 VanDerWaalsContact O-CG 3.28Å; C535-R539 WeakPolarHBondContact O-CG 3.48Å; C535-R539 PolarHBondContact O-N 2.84Å |
| 536 | Q | 94.7 | Very high | 94 | Very high | 100 Ų | 100 | 104.1 Ų | 104.1 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -44 | 173.1 | -75.1 | -176 | 13.8 | 0 | 0 | 111.8 | Q532 N533 E534 R539 T540 | Q532-Q536 WeakPolarHBondContact O-CB 3.35Å; Q532-Q536 WeakPolarHBondContact O-CG 3.28Å; Q532-Q536 PolarHBondContact O-N 3.48Å; N533-Q536 PolarHBondContact O-N 3.44Å; E534-Q536 VanDerWaalsContact C-N 3.32Å; E534-Q536 PolarHBondContact O-N 2.78Å; Q536-R539 PolarHBondContact O-N 3.44Å; Q536-T540 WeakPolarHBondContact O-CG2 3.28Å; Q536-T540 PolarHBondContact O-N 3.29Å |
| 537 | R | 95.4 | Very high | 93.7 | Very high | 123 Ų | 123 | 108.4 Ų | 108.4 | 46% | 0.464 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 177.5 | -160.6 | -169.5 | -43.6 | 106.9 | 3.7 | 111 | N533 E534 R539 T540 E541 | N533-R537 WeakPolarHBondContact O-CB 3.48Å; N533-R537 PolarHBondContact O-N 3.41Å; E534-R537 VanDerWaalsContact CG-NH2 3.33Å; E534-R537 WeakPolarHBondContact O-CB 3.3Å; E534-R537 PolarHBondContact O-N 2.94Å; E534-R537 VanDerWaalsContact O-N 3.13Å; R537-R539 VanDerWaalsContact C-N 3.32Å; R537-R539 PolarHBondContact O-N 2.87Å; R537-T540 WeakPolarHBondContact O-CA 3.44Å; R537-T540 PolarHBondContact O-N 3.15Å; R537-T540 PolarHBondContact O-OG1 2.93Å; R537-E541 PolarHBondContact O-N 2.94Å |
| 538 | E | 92.6 | Very high | 93.4 | Very high | 128 Ų | 128 | 107.8 Ų | 107.8 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.9 | -42.9 | 177.4 | -167.8 | -164.5 | 164.7 | 0 | 0 | 111.7 | E534 T540 E541 R542 | E534-E538 PolarHBondContact O-N 2.8Å; E538-T540 VanDerWaalsContact C-N 3.34Å; E538-T540 PolarHBondContact O-N 3.36Å; E538-E541 PolarHBondContact O-N 3.37Å; E538-R542 WeakPolarHBondContact O-CB 3.44Å; E538-R542 PolarHBondContact O-N 3.49Å |
| 539 | R | 93.1 | Very high | 92.7 | Very high | 176 Ų | 176 | 108.9 Ų | 108.9 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 173.4 | -73.1 | 173.2 | -173.2 | -164 | 2.7 | 112.4 | C535 Q536 R537 C543 | C535-R539 VanDerWaalsContact O-CG 3.28Å; C535-R539 WeakPolarHBondContact O-CG 3.48Å; C535-R539 PolarHBondContact O-N 2.84Å; Q536-R539 PolarHBondContact O-N 3.44Å; R537-R539 VanDerWaalsContact C-N 3.32Å; R537-R539 PolarHBondContact O-N 2.87Å; R539-C543 WeakPolarHBondContact O-CB 3.36Å; R539-C543 PolarHBondContact O-N 3Å; R539-C543 VanDerWaalsContact O-N 3.1Å |
| 540 | T | 93.7 | Very high | 91.9 | Very high | 73 Ų | 73 | 109.9 Ų | 109.9 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 176.6 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | Q536 R537 E538 C543 K544 | Q536-T540 WeakPolarHBondContact O-CG2 3.28Å; Q536-T540 PolarHBondContact O-N 3.29Å; R537-T540 WeakPolarHBondContact O-CA 3.44Å; R537-T540 PolarHBondContact O-N 3.15Å; R537-T540 PolarHBondContact O-OG1 2.93Å; E538-T540 VanDerWaalsContact C-N 3.34Å; E538-T540 PolarHBondContact O-N 3.36Å; T540-C543 PolarHBondContact O-N 2.88Å; T540-K544 WeakPolarHBondContact O-CG 3.38Å; T540-K544 PolarHBondContact O-N 3Å |
| 541 | E | 92.5 | Very high | 91.1 | Very high | 97 Ų | 97 | 109.8 Ų | 109.8 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71 | -43 | 177.9 | -70.9 | 179.2 | 156.2 | 0 | 0 | 111.6 | R537 E538 C543 K544 L545 | R537-E541 PolarHBondContact O-N 2.94Å; E538-E541 PolarHBondContact O-N 3.37Å; E541-C543 VanDerWaalsContact C-N 3.31Å; E541-C543 PolarHBondContact O-N 3.47Å; E541-K544 WeakPolarHBondContact O-CB 3.19Å; E541-K544 PolarHBondContact O-N 3.46Å; E541-K544 VanDerWaalsContact O-N 3.1Å; E541-L545 WeakPolarHBondContact O-CG 3.32Å; E541-L545 PolarHBondContact O-N 3.2Å |
| 542 | R | 93.1 | Very high | 90 | Very high | 184 Ų | 184 | 112.8 Ų | 112.8 | 69% | 0.694 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.5 | -44 | 171.6 | -176.3 | 174.9 | 173 | 174.8 | -0.9 | 112 | E538 K544 L545 E546 | E538-R542 WeakPolarHBondContact O-CB 3.44Å; E538-R542 PolarHBondContact O-N 3.49Å; R542-K544 PolarHBondContact O-N 2.92Å; R542-L545 PolarHBondContact O-N 3.47Å; R542-E546 WeakPolarHBondContact O-CB 3.41Å; R542-E546 PolarHBondContact O-N 3.24Å |
| 543 | C | 92.2 | Very high | 88.4 | Confident | 65 Ų | 65 | 114.9 Ų | 114.9 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 112.9 | R539 T540 E541 R547 | R539-C543 WeakPolarHBondContact O-CB 3.36Å; R539-C543 PolarHBondContact O-N 3Å; R539-C543 VanDerWaalsContact O-N 3.1Å; T540-C543 PolarHBondContact O-N 2.88Å; E541-C543 VanDerWaalsContact C-N 3.31Å; E541-C543 PolarHBondContact O-N 3.47Å; C543-R547 WeakPolarHBondContact O-CB 3.47Å; C543-R547 PolarHBondContact O-N 2.99Å; C543-R547 VanDerWaalsContact O-N 3.16Å |
| 544 | K | 94 | Very high | 86.8 | Confident | 128 Ų | 128 | 118.9 Ų | 118.9 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.3 | -45.3 | 172.1 | -70.2 | 167.1 | -173.2 | 171.1 | 0 | 111.5 | T540 E541 R542 R547 L548 | T540-K544 WeakPolarHBondContact O-CG 3.38Å; T540-K544 PolarHBondContact O-N 3Å; E541-K544 WeakPolarHBondContact O-CB 3.19Å; E541-K544 PolarHBondContact O-N 3.46Å; E541-K544 VanDerWaalsContact O-N 3.1Å; R542-K544 PolarHBondContact O-N 2.92Å; K544-R547 WeakPolarHBondContact O-CB 3.3Å; K544-R547 PolarHBondContact O-N 3.05Å; K544-L548 WeakPolarHBondContact O-CG 3.4Å; K544-L548 PolarHBondContact O-N 2.85Å |
| 545 | L | 91 | Very high | 84.9 | Confident | 115 Ų | 115 | 121.5 Ų | 121.5 | 60% | 0.602 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -44.6 | 179.1 | -71.2 | 171 | 0 | 0 | 0 | 112 | E541 R542 R547 L548 Q549 | E541-L545 WeakPolarHBondContact O-CG 3.32Å; E541-L545 PolarHBondContact O-N 3.2Å; R542-L545 PolarHBondContact O-N 3.47Å; L545-R547 VanDerWaalsContact C-N 3.31Å; L545-R547 PolarHBondContact O-N 3.25Å; L545-L548 PolarHBondContact O-N 3.37Å; L545-Q549 WeakPolarHBondContact O-CB 3.31Å; L545-Q549 PolarHBondContact O-N 3.39Å |
| 546 | E | 87.9 | Confident | 83 | Confident | 108 Ų | 108 | 123.7 Ų | 123.7 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.3 | -40.1 | 175.4 | -176 | 172.1 | -160.7 | 0 | 0 | 111.7 | R542 Q549 M550 | R542-E546 WeakPolarHBondContact O-CB 3.41Å; R542-E546 PolarHBondContact O-N 3.24Å; E546-Q549 PolarHBondContact O-N 2.96Å; E546-M550 WeakPolarHBondContact O-CB 3.38Å; E546-M550 VanDerWaalsContact O-CG 3.31Å; E546-M550 WeakPolarHBondContact O-CG 3.25Å; E546-M550 PolarHBondContact O-N 3.41Å |
| 547 | R | 89.2 | Confident | 80.7 | Confident | 185 Ų | 185 | 122.1 Ų | 122.1 | 70% | 0.698 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.1 | -41.8 | 174.3 | -170.2 | -177.3 | -60 | -160.5 | 0.2 | 112.5 | C543 K544 L545 M550 Q551 | C543-R547 WeakPolarHBondContact O-CB 3.47Å; C543-R547 PolarHBondContact O-N 2.99Å; C543-R547 VanDerWaalsContact O-N 3.16Å; K544-R547 WeakPolarHBondContact O-CB 3.3Å; K544-R547 PolarHBondContact O-N 3.05Å; L545-R547 VanDerWaalsContact C-N 3.31Å; L545-R547 PolarHBondContact O-N 3.25Å; R547-M550 PolarHBondContact O-N 2.98Å; R547-Q551 PolarHBondContact O-N 3.02Å |
| 548 | L | 89 | Confident | 78.5 | Confident | 102 Ų | 102 | 121.7 Ų | 121.7 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.4 | -41.5 | 175.7 | -70.2 | 169.3 | 0 | 0 | 0 | 111.5 | K544 L545 M550 Q551 H552 | K544-L548 WeakPolarHBondContact O-CG 3.4Å; K544-L548 PolarHBondContact O-N 2.85Å; L545-L548 PolarHBondContact O-N 3.37Å; L548-M550 PolarHBondContact O-N 3.48Å; L548-Q551 WeakPolarHBondContact O-CB 3.36Å; L548-Q551 PolarHBondContact O-N 3.47Å; L548-H552 PolarHBondContact O-N 2.89Å |
| 549 | Q | 82.3 | Confident | 76.3 | Confident | 130 Ų | 130 | 124.1 Ų | 124.1 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.2 | -43 | 175.7 | -172.5 | -178.7 | 12 | 0 | 0 | 111.8 | L545 E546 Q551 H552 H553 | L545-Q549 WeakPolarHBondContact O-CB 3.31Å; L545-Q549 PolarHBondContact O-N 3.39Å; E546-Q549 PolarHBondContact O-N 2.96Å; Q549-Q551 VanDerWaalsContact C-N 3.33Å; Q549-Q551 PolarHBondContact O-N 2.99Å; Q549-H552 PolarHBondContact O-N 2.85Å; Q549-H553 PolarHBondContact O-N 3.29Å |
| 550 | M | 80.3 | Confident | 73.9 | Confident | 117 Ų | 117 | 119.2 Ų | 119.2 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.1 | -35.8 | 174.3 | -74.3 | -70.6 | -171.9 | 0 | 0 | 112.6 | E546 R547 L548 K554 | E546-M550 WeakPolarHBondContact O-CB 3.38Å; E546-M550 VanDerWaalsContact O-CG 3.31Å; E546-M550 WeakPolarHBondContact O-CG 3.25Å; E546-M550 PolarHBondContact O-N 3.41Å; R547-M550 PolarHBondContact O-N 2.98Å; L548-M550 PolarHBondContact O-N 3.48Å; M550-K554 WeakPolarHBondContact O-CG 3.5Å; M550-K554 PolarHBondContact O-N 3.41Å; M550-K554 VanDerWaalsContact O-N 3.13Å |
| 551 | Q | 76.9 | Confident | 71.2 | Confident | 112 Ų | 112 | 123.5 Ų | 123.5 | 52% | 0.523 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.9 | -41.3 | 174.3 | -170.4 | 174.7 | 11.7 | 0 | 0 | 111.7 | R547 L548 Q549 K554 Q555 | R547-Q551 PolarHBondContact O-N 3.02Å; L548-Q551 WeakPolarHBondContact O-CB 3.36Å; L548-Q551 PolarHBondContact O-N 3.47Å; Q549-Q551 VanDerWaalsContact C-N 3.33Å; Q549-Q551 PolarHBondContact O-N 2.99Å; Q551-K554 PolarHBondContact O-N 3.28Å; Q551-Q555 PolarHBondContact O-N 2.94Å |
| 552 | H | 70.5 | Confident | 68.9 | Low | 118 Ų | 118 | 128.3 Ų | 128.3 | 55% | 0.546 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.5 | -44.9 | 175.2 | -169.6 | -89.2 | 0 | 0 | 0 | 111.8 | L548 Q549 K554 Q555 V556 | L548-H552 PolarHBondContact O-N 2.89Å; Q549-H552 PolarHBondContact O-N 2.85Å; H552-K554 VanDerWaalsContact C-N 3.28Å; H552-K554 PolarHBondContact O-N 2.9Å; H552-Q555 PolarHBondContact O-N 3.04Å; H552-V556 WeakPolarHBondContact O-CG2 3.47Å; H552-V556 PolarHBondContact O-N 3.05Å |
| 553 | H | 63.6 | Low | 66.4 | Low | 135 Ų | 135 | 122.7 Ų | 122.7 | 63% | 0.625 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -59.5 | -36.9 | 174.9 | -107.5 | 76.2 | 0 | 0 | 0 | 112.8 | Q549 Q555 V556 G557 | Q549-H553 PolarHBondContact O-N 3.29Å; H553-Q555 VanDerWaalsContact C-N 3.31Å; H553-Q555 PolarHBondContact O-N 2.85Å; H553-V556 PolarHBondContact O-N 3.4Å; H553-G557 PolarHBondContact O-N 3.23Å |
| 554 | K | 61.8 | Low | 63.7 | Low | 172 Ų | 172 | 130.5 Ų | 130.5 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70 | -22.3 | 174.4 | -76.8 | -174.4 | 176.4 | -173 | 0 | 114.3 | M550 Q551 H552 | M550-K554 WeakPolarHBondContact O-CG 3.5Å; M550-K554 PolarHBondContact O-N 3.41Å; M550-K554 VanDerWaalsContact O-N 3.13Å; Q551-K554 PolarHBondContact O-N 3.28Å; H552-K554 VanDerWaalsContact C-N 3.28Å; H552-K554 PolarHBondContact O-N 2.9Å |
| 555 | Q | 54.8 | Low | 61.3 | Low | 135 Ų | 135 | 130 Ų | 130 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -85.6 | -34.2 | 173.7 | -71.7 | -177.1 | 3.4 | 0 | 0 | 112.6 | Q551 H552 H553 T558 | Q551-Q555 PolarHBondContact O-N 2.94Å; H552-Q555 PolarHBondContact O-N 3.04Å; H553-Q555 VanDerWaalsContact C-N 3.31Å; H553-Q555 PolarHBondContact O-N 2.85Å; Q555-T558 PolarHBondContact O-OG1 3.05Å |
| 556 | V | 53.4 | Low | 59.1 | Low | 94 Ų | 94 | 131 Ų | 131 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.2 | -30 | 176.7 | 179 | 0 | 0 | 0 | 0 | 111.8 | H552 H553 T558 | H552-V556 WeakPolarHBondContact O-CG2 3.47Å; H552-V556 PolarHBondContact O-N 3.05Å; H553-V556 PolarHBondContact O-N 3.4Å; V556-T558 PolarHBondContact O-N 2.8Å; V556-T558 VanDerWaalsContact O-N 3.1Å |
| 557 | G | 46.9 | Very low | 56.4 | Low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 2.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | H553 | H553-G557 PolarHBondContact O-N 3.23Š|
| 558 | T | 48.9 | Very low | 54 | Low | 115 Ų | 115 | 134.2 Ų | 134.2 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 2 | -177.4 | 47.9 | 0 | 0 | 0 | 0 | 115.4 | Q555 V556 | Q555-T558 PolarHBondContact O-OG1 3.05Å; V556-T558 PolarHBondContact O-N 2.8Å; V556-T558 VanDerWaalsContact O-N 3.1Å |
| 559 | Q | 46.5 | Very low | 51.7 | Low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -136.1 | 103.7 | 170.8 | -68.1 | -164.4 | 11.4 | 0 | 0 | 112.9 | ||
| 560 | G | 43.8 | Very low | 49.6 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | trans | 86.7 | 91.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 561 | L | 37.2 | Very low | 47.6 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | -168.8 | 112.7 | 115.9 | -123.8 | 78.1 | 0 | 0 | 0 | 109.7 | |||||
| 562 | E | 43 | Very low | 45.6 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -83.1 | 143.5 | 159 | -72.1 | -164.1 | 155.2 | 0 | 0 | 109.6 | ||||
| 563 | G | 42.2 | Very low | 44.2 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 87.8 | 73.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 564 | W | 35 | Very low | 42.9 | Very low | 230 Ų | 230 | 143.7 Ų | 143.7 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | -138.6 | 140.3 | 142.2 | -85.5 | 88.3 | 0 | 0 | 0 | 110.5 | ||||
| 565 | P | 43.6 | Very low | 41.6 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -73.9 | 136.8 | -175.2 | -15.7 | 31.2 | 0 | 0 | 0 | 112.9 | H567 | P565-H567 PolarHBondContact O-N 2.81Š| ||
| 566 | I | 43.5 | Very low | 40.9 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -74.6 | 123.4 | 176.6 | -63.1 | 169.1 | 0 | 0 | 0 | 109.8 | F568 | I566-F568 HydrophobicContact CG2-CD2 3.38Å; I566-F568 HydrophobicContact CG2-CE2 3.38Å; I566-F568 HydrophobicContact CG2-CG 4.23Å; I566-F568 HydrophobicContact CG2-CZ 4.22Å | ||
| 567 | H | 33 | Very low | 40.3 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -121.5 | 103.5 | 163 | -129.1 | -71.4 | 0 | 0 | 0 | 109.5 | P565 | P565-H567 PolarHBondContact O-N 2.81Š| ||
| 568 | F | 38.6 | Very low | 39.9 | Very low | 176 Ų | 176 | 138 Ų | 138 | 77% | 0.772 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 131 | 173.1 | -80 | -75.2 | 0 | 0 | 0 | 110.6 | I566 | I566-F568 HydrophobicContact CG2-CD2 3.38Å; I566-F568 HydrophobicContact CG2-CE2 3.38Å; I566-F568 HydrophobicContact CG2-CG 4.23Å; I566-F568 HydrophobicContact CG2-CZ 4.22Å |
| 569 | P | 39.5 | Very low | 39.5 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78 | 157.3 | 159 | 30.9 | -28.1 | 0 | 0 | 0 | 110.6 | ||
| 570 | P | 38.8 | Very low | 39.1 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 143.9 | -167.6 | 27 | -35 | 0 | 0 | 0 | 114.4 | M572 | P570-M572 PolarHBondContact O-N 3.34Š|
| 571 | R | 37.8 | Very low | 39 | Very low | 245 Ų | 245 | 134 Ų | 134 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.1 | 175.7 | 174.8 | -178.3 | 177.7 | 136.8 | -4.1 | 111.6 | ||
| 572 | M | 36.1 | Very low | 39.1 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -93 | 155.3 | 162.1 | -74.3 | -69.9 | -80.1 | 0 | 0 | 111.1 | P570 | P570-M572 PolarHBondContact O-N 3.34Š|
| 573 | P | 39.3 | Very low | 39.1 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 159.3 | -170 | -14.8 | 31.5 | 0 | 0 | 0 | 114.7 | A575 | P573-A575 PolarHBondContact O-N 3.13Š|
| 574 | N | 36.4 | Very low | 39 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.8 | 174.2 | -88.3 | -13.6 | 0 | 0 | 0 | 112.8 | ||
| 575 | A | 36.2 | Very low | 39.2 | Very low | 96 Ų | 96 | 117.2 Ų | 117.2 | 79% | 0.793 | 73% | 0.728 | S | S | * | * | trans | -116.9 | 35.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P573 G577 | P573-A575 PolarHBondContact O-N 3.13Å; A575-G577 VanDerWaalsContact C-N 3.25Å; A575-G577 PolarHBondContact O-N 2.93Å | ||
| 576 | A | 40.3 | Very low | 39 | Very low | 100 Ų | 100 | 115.2 Ų | 115.2 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 76.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 577 | G | 39.8 | Very low | 38.8 | Very low | 74 Ų | 74 | 112 Ų | 112 | 76% | 0.763 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.9 | 9.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | A575 | A575-G577 VanDerWaalsContact C-N 3.25Å; A575-G577 PolarHBondContact O-N 2.93Å |
| 578 | A | 39 | Very low | 39.1 | Very low | 80 Ų | 80 | 106.3 Ų | 106.3 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -125.4 | -3.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 579 | T | 40.9 | Very low | 39 | Very low | 125 Ų | 125 | 101.4 Ų | 101.4 | 77% | 0.767 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -112.1 | -8.5 | -177.6 | 46.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 580 | A | 38.3 | Very low | 39 | Very low | 85 Ų | 85 | 100.3 Ų | 100.3 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -14.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 581 | A | 40.3 | Very low | 39 | Very low | 72 Ų | 72 | 98.3 Ų | 98.3 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -27 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A585 | A581-A585 PolarHBondContact O-N 3.46Š|
| 582 | A | 39.8 | Very low | 39 | Very low | 69 Ų | 69 | 90.8 Ų | 90.8 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.8 | -33.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 583 | T | 43.7 | Very low | 39.1 | Very low | 108 Ų | 108 | 87.3 Ų | 87.3 | 66% | 0.663 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -81.3 | -22.6 | 179.8 | 42.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 584 | A | 38.2 | Very low | 39.3 | Very low | 63 Ų | 63 | 86.6 Ų | 86.6 | 52% | 0.521 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -75 | -33.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A588 | A584-A588 PolarHBondContact O-N 2.88Å |
| 585 | A | 40.6 | Very low | 39.3 | Very low | 64 Ų | 64 | 83.1 Ų | 83.1 | 53% | 0.529 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -69 | -36.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A581 A588 A589 | A581-A585 PolarHBondContact O-N 3.46Å; A585-A588 PolarHBondContact O-N 3.32Å; A585-A589 PolarHBondContact O-N 3.38Å |
| 586 | A | 39.5 | Very low | 39.9 | Very low | 74 Ų | 74 | 84.7 Ų | 84.7 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.4 | -34 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 587 | A | 39.5 | Very low | 40.1 | Very low | 69 Ų | 69 | 85.6 Ų | 85.6 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -73.8 | -33.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 588 | A | 37.7 | Very low | 40 | Very low | 65 Ų | 65 | 88.2 Ų | 88.2 | 54% | 0.537 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -70.4 | -32.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A584 A585 A590 A591 | A584-A588 PolarHBondContact O-N 2.88Å; A585-A588 PolarHBondContact O-N 3.32Å; A588-A590 VanDerWaalsContact C-N 3.34Å; A588-A590 PolarHBondContact O-N 2.91Å; A588-A591 PolarHBondContact O-N 3.23Å |
| 589 | A | 38.4 | Very low | 40 | Very low | 74 Ų | 74 | 89 Ų | 89 | 61% | 0.612 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.8 | -29.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A585 | A585-A589 PolarHBondContact O-N 3.38Å |
| 590 | A | 39.2 | Very low | 39.5 | Very low | 84 Ų | 84 | 94.5 Ų | 94.5 | 69% | 0.694 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -76.5 | -20.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A588 | A588-A590 VanDerWaalsContact C-N 3.34Å; A588-A590 PolarHBondContact O-N 2.91Å |
| 591 | A | 38 | Very low | 39.3 | Very low | 83 Ų | 83 | 97.4 Ų | 97.4 | 69% | 0.686 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -10.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | A588 | A588-A591 PolarHBondContact O-N 3.23Š|
| 592 | A | 38.1 | Very low | 38.8 | Very low | 88 Ų | 88 | 103.5 Ų | 103.5 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -95.6 | 2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 593 | A | 37.8 | Very low | 38.4 | Very low | 92 Ų | 92 | 108.1 Ų | 108.1 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | trans | -97.8 | 23.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 594 | A | 43.4 | Very low | 38 | Very low | 94 Ų | 94 | 108.9 Ų | 108.9 | 78% | 0.777 | 72% | 0.72 | S | S | * | * | trans | -106.5 | 67 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 595 | A | 37.5 | Very low | 37.7 | Very low | 87 Ų | 87 | 112.4 Ų | 112.4 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -154.9 | 137.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 596 | P | 48 | Very low | 37.8 | Very low | 128 Ų | 128 | 115.4 Ų | 115.4 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 141.8 | -173.7 | 34.9 | -34 | 0 | 0 | 0 | 113.6 | ||
| 597 | P | 44.1 | Very low | 37.8 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 161.3 | 161.7 | 34.7 | -29.8 | 0 | 0 | 0 | 111.9 | ||
| 598 | P | 38.5 | Very low | 37.5 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 164.3 | -156.6 | 34.4 | -37.7 | 0 | 0 | 0 | 115.7 | ||
| 599 | A | 37.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 600 | R | 32.1 | Very low | 37.3 | Very low | 242 Ų | 242 | 125.1 Ų | 125.1 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -137.7 | 129.7 | 147.2 | -81.2 | -164.1 | 166.8 | -168 | -4.6 | 109.3 | ||||
| 601 | D | 34.1 | Very low | 36.9 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -64.8 | 141.7 | 174.8 | -48.3 | -83.2 | 0 | 0 | 0 | 111 | ||||
| 602 | F | 28.4 | Very low | 36.6 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | -169.5 | 130.1 | 125.9 | -107.4 | -73.1 | 0 | 0 | 0 | 111.5 | |||||
| 603 | Q | 32.3 | Very low | 36.2 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -2.5 | 144.2 | 172.3 | -63.4 | -172.5 | -26.3 | 0 | 0 | 122.7 | V605 | Q603-V605 PolarHBondContact O-N 2.89Š| ||
| 604 | P | 34.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 120.2 | 171.8 | 32.7 | -32.6 | 0 | 0 | 0 | 111.9 | ||
| 605 | V | 32.4 | Very low | 35.4 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 118.6 | 162.8 | 178 | 0 | 0 | 0 | 0 | 108.5 | Q603 P607 | Q603-V605 PolarHBondContact O-N 2.89Å; V605-P607 WeakPolarHBondContact O-CD 3.13Å |
| 606 | T | 42.8 | Very low | 35.9 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.7 | 178.5 | 36.5 | 0 | 0 | 0 | 0 | 111.9 | G608 | T606-G608 PolarHBondContact O-N 2.79Š|
| 607 | P | 38.8 | Very low | 35.1 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -85.8 | 95.8 | 163.3 | -1.1 | 20.6 | 0 | 0 | 0 | 108.8 | V605 | V605-P607 WeakPolarHBondContact O-CD 3.13Š| ||
| 608 | G | 33.1 | Very low | 35 | Very low | 70 Ų | 70 | 146.5 Ų | 146.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 128.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T606 | T606-G608 PolarHBondContact O-N 2.79Š| ||
| 609 | F | 34 | Very low | 34.7 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -119.4 | 123.9 | 169.4 | -98 | -80 | 0 | 0 | 0 | 110.9 | ||||
| 610 | P | 38.8 | Very low | 34.4 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -82 | 126.8 | -179 | 31.8 | -32.9 | 0 | 0 | 0 | 111.5 | Q612 | P610-Q612 PolarHBondContact O-N 2.95Š| ||
| 611 | W | 31.1 | Very low | 34.5 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | -85.8 | 103.3 | 163.4 | -82 | 82.5 | 0 | 0 | 0 | 109.6 | M613 | W611-M613 HydrophobicContact CE3-CE 4.34Š| ||
| 612 | Q | 30.5 | Very low | 34.5 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -74.9 | 123.1 | 161.2 | -85.7 | -172.7 | -18.5 | 0 | 0 | 109.8 | P610 | P610-Q612 PolarHBondContact O-N 2.95Š| ||
| 613 | M | 30.4 | Very low | 34.5 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -80.8 | 134 | 164.7 | -73 | -79.1 | 96.8 | 0 | 0 | 109.2 | W611 | W611-M613 HydrophobicContact CE3-CE 4.34Š| ||
| 614 | S | 28.2 | Very low | 34.7 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | -152.9 | 88.5 | 172.6 | -77.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 615 | F | 36.8 | Very low | 34.5 | Very low | 212 Ų | 212 | 140.6 Ų | 140.6 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -153.4 | 140.5 | 153.9 | -85.4 | -61.3 | 0 | 0 | 0 | 106.4 | ||||
| 616 | P | 47.5 | Very low | 34.4 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | -146.2 | 149.2 | 83.3 | 37.1 | -20.6 | 0 | 0 | 0 | 115.7 | |||||
| 617 | Q | 30.2 | Very low | 33.9 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -147.6 | 151.5 | 142.8 | -110.1 | -171.8 | -21.7 | 0 | 0 | 111 | ||||
| 618 | P | 42.3 | Very low | 33.8 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -99.8 | 156.2 | -160.5 | 37.9 | -35.4 | 0 | 0 | 0 | 114.5 | ||||
| 619 | R | 33.1 | Very low | 33.7 | Very low | 252 Ų | 252 | 150.6 Ų | 150.6 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | -128 | 141.5 | 146 | -62.6 | -172.9 | -171.7 | -150.6 | 3.3 | 106.8 | ||||
| 620 | G | 29.9 | Very low | 34.1 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | cis | 124.1 | 86.4 | 15 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 621 | A | 36 | Very low | 34.3 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -80.5 | 134.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 622 | R | 32.5 | Very low | 34.9 | Very low | 246 Ų | 246 | 143.3 Ų | 143.3 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | trans | 173.8 | 152.9 | 156.5 | -100.4 | -179.6 | 173.2 | 179.8 | -2.2 | 107.2 | ||||
| 623 | A | 30 | Very low | 35.1 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | cis | -155.4 | 160.6 | -12.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 624 | V | 34.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | trans | -65.7 | 138.7 | 166.6 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 625 | G | 30.3 | Very low | 35.5 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -147.3 | 121.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 626 | E | 31.8 | Very low | 35.2 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -75 | 148.7 | -169.5 | -63.3 | 159.3 | 114.4 | 0 | 0 | 113 | ||||
| 627 | S | 32.5 | Very low | 34.5 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -147.2 | 107.7 | 153 | -174.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 628 | S | 35.1 | Very low | 34.5 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -84.8 | 130.4 | -174.4 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 629 | R | 31.1 | Very low | 34 | Very low | 246 Ų | 246 | 141.7 Ų | 141.7 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | -162.3 | 158 | 139.3 | -104.5 | -153.1 | 160.7 | 152.2 | -5.1 | 111.8 | ||||
| 630 | P | 43.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 168.4 | -151.8 | 38.8 | -34.2 | 0 | 0 | 0 | 114.4 | ||
| 631 | P | 43.2 | Very low | 34 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 150.7 | 172.2 | 33.7 | -35.2 | 0 | 0 | 0 | 111.9 | ||
| 632 | P | 42.4 | Very low | 33.7 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 136.8 | 163.8 | 33.4 | -30.4 | 0 | 0 | 0 | 110.3 | ||
| 633 | E | 36.3 | Very low | 33.6 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | -126.7 | 144.7 | 173.3 | -149.3 | -172 | -143.5 | 0 | 0 | 110.1 | ||||
| 634 | N | 34.6 | Very low | 33.8 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | 71.2 | 115 | 167.4 | -54.9 | -58.6 | 0 | 0 | 0 | 119.5 | ||||
| 635 | A | 31 | Very low | 33.5 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | -150 | 111.4 | 123.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 636 | D | 30.2 | Very low | 33.6 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | 78.5 | 138.7 | 144.8 | -60.8 | -28.8 | 0 | 0 | 0 | 125.1 | ||||
| 637 | Q | 33.4 | Very low | 33.7 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -101.8 | 153.7 | -177.4 | -55.9 | 165.1 | 2.7 | 0 | 0 | 109.9 | ||||
| 638 | S | 31.4 | Very low | 33.9 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 137.7 | 115 | 132 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 639 | T | 30 | Very low | 34 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | -172.6 | 145.2 | 99.3 | 23.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 640 | A | 32 | Very low | 34.1 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -95.6 | 149.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 641 | A | 30.8 | Very low | 34 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | -164.8 | 130.3 | 143.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 642 | T | 31.3 | Very low | 33.6 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | 42.4 | 151.5 | 141.1 | 57.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 643 | A | 30.8 | Very low | 33.5 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | cis | 173.3 | 152.7 | -20.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 644 | T | 32.2 | Very low | 33.7 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | 61.6 | 139.4 | 170.9 | 63.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 645 | G | 30.5 | Very low | 34.3 | Very low | 59 Ų | 59 | 142 Ų | 142 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | 171.1 | 165.5 | -8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 646 | F | 32.2 | Very low | 35.5 | Very low | 223 Ų | 223 | 143 Ų | 143 | 98% | 0.978 | 79% | 0.792 | S | S | * | * | trans | 59.2 | 133 | 164.9 | -63.1 | -91.8 | 0 | 0 | 0 | 119 | ||||
| 647 | G | 32.7 | Very low | 35.9 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | cis | 179.2 | 170.6 | -4.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 648 | K | 37 | Very low | 36.4 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -5.6 | 136.5 | 150.9 | -67.8 | 175.5 | -177.8 | 178.1 | 0 | 115.1 | ||||
| 649 | R | 36.8 | Very low | 37 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | -178.3 | 166.9 | 54.5 | -119.9 | -178.2 | -146.7 | -101.5 | 11.1 | 106.4 | |||||
| 650 | E | 34.2 | Very low | 37.3 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | cis | -155.6 | -161 | -6.4 | -164.3 | 119.7 | -105.7 | 0 | 0 | 108.2 | ||||
| 651 | R | 41.8 | Very low | 37.6 | Very low | 223 Ų | 223 | 148.8 Ų | 148.8 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -113.5 | 147.8 | 161.6 | -73.5 | 172.4 | 165.9 | -106.6 | 2.8 | 109.7 | ||||
| 652 | Q | 34.5 | Very low | 38 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -158.7 | 145.8 | 134.5 | -116.8 | 168.6 | 16.6 | 0 | 0 | 113 | ||||
| 653 | N | 39.1 | Very low | 38.4 | Very low | 142 Ų | 142 | 153.4 Ų | 153.4 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -74.1 | 160.3 | 170.8 | -52.7 | -49.7 | 0 | 0 | 0 | 110.1 | ||||
| 654 | I | 40.2 | Very low | 38.8 | Very low | 171 Ų | 171 | 158.3 Ų | 158.3 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | -165 | 144.5 | 129.8 | -98.6 | 147.4 | 0 | 0 | 0 | 109 | |||||
| 655 | D | 47.4 | Very low | 39.3 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -98.7 | -160 | -176.9 | -163.2 | 28.2 | 0 | 0 | 0 | 109.8 | ||||
| 656 | P | 57.7 | Low | 39.9 | Very low | 110 Ų | 110 | 166.1 Ų | 166.1 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | -113.4 | 168.3 | -106.8 | 36 | -21.1 | 0 | 0 | 0 | 116 | |||||
| 657 | G | 38.1 | Very low | 40.5 | Very low | 70 Ų | 70 | 161.7 Ų | 161.7 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 117 | 149.9 | 135.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 658 | K | 43.3 | Very low | 41.2 | Very low | 200 Ų | 200 | 169.6 Ų | 169.6 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | 74.3 | 118 | 175.4 | -51.5 | 178.2 | -177 | 179.7 | 0 | 114.1 | ||||
| 659 | H | 43.7 | Very low | 41.5 | Very low | 252 Ų | 252 | 167.3 Ų | 167.3 | 100% | 1.167 | 82% | 0.819 | S | S | * | * | -143.5 | 0 | 51.9 | -120.2 | -63.4 | 0 | 0 | 0 | 115.5 |
Retrieved 659 of 659 residues in 280.2 ms
(Link to these results)