| 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 | 36 | Very low | 38.8 | Very low | 232 Ų | 232 | 150.4 Ų | 150.4 | 100% | 1.143 | 80% | 0.796 | S | S | * | * | 0 | 97.5 | 0 | -71 | -179.3 | 166.1 | 0 | 0 | 106 | |||||
| 2 | S | 39.5 | Very low | 39 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | 101.5 | 136.8 | 108.1 | -60.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 3 | D | 36.3 | Very low | 39 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | cis | -166.8 | 163.5 | 4.1 | -155.8 | -90.2 | 0 | 0 | 0 | 108.6 | ||||
| 4 | S | 47.7 | Very low | 39 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -6.4 | 130.9 | 161.8 | -55.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 5 | V | 44.7 | Very low | 38.9 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | 68 | 116.8 | 81.2 | 178.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 6 | K | 38.7 | Very low | 38.8 | Very low | 194 Ų | 194 | 145.3 Ų | 145.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -177.7 | 135.7 | 137.7 | -150.9 | 147.3 | -179.5 | -176.2 | 0 | 108.1 | ||||
| 7 | D | 35.8 | Very low | 38.9 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | cis | -160.3 | 166.1 | -7 | -149.7 | -69.8 | 0 | 0 | 0 | 106.7 | ||||
| 8 | K | 38.2 | Very low | 39.6 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -55.5 | 141.3 | -177.7 | -72.5 | 166.6 | 161.1 | -178.1 | 0 | 114.2 | ||||
| 9 | H | 34.2 | Very low | 40.8 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -125.3 | 112.7 | 134 | -157.3 | -84.9 | 0 | 0 | 0 | 108.7 | ||||
| 10 | V | 43.2 | Very low | 42.1 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 123.8 | 167.5 | 160.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 11 | N | 32.4 | Very low | 43.2 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | -156.9 | 134.6 | 132.5 | -141.9 | 5.8 | 0 | 0 | 0 | 108.7 | ||||
| 12 | P | 42 | Very low | 44.7 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | trans | -84.8 | 135.3 | -157.2 | 34.1 | -31.3 | 0 | 0 | 0 | 112.2 | ||||
| 13 | E | 38.5 | Very low | 46 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 80% | 0.799 | 66% | 0.659 | S | S | * | * | trans | 20.4 | 121.6 | 139.1 | -53.8 | -157.9 | 100.6 | 0 | 0 | 119.4 | ||||
| 14 | T | 38.7 | Very low | 47.5 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | trans | 64.1 | 117 | 140.9 | 52.1 | 0 | 0 | 0 | 0 | 119.7 | L16 | T14-L16 PolarHBondContact O-N 3.42Š| ||
| 15 | P | 38.1 | Very low | 48.6 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 86% | 0.857 | 61% | 0.61 | S | S | * | * | trans | -71.7 | 102.1 | 158.7 | 29.1 | -26.6 | 0 | 0 | 0 | 108 | R17 | P15-R17 PolarHBondContact O-N 2.99Å; P15-R17 VanDerWaalsContact O-N 3.08Å | ||
| 16 | L | 37.3 | Very low | 49.6 | Very low | 160 Ų | 160 | 120.8 Ų | 120.8 | 84% | 0.838 | 60% | 0.6 | S | S | * | * | trans | -43.4 | 111.7 | 175.5 | -71.2 | 160.5 | 0 | 0 | 0 | 111.1 | T14 S18 | T14-L16 PolarHBondContact O-N 3.42Å; L16-S18 PolarHBondContact O-N 3.05Å | ||
| 17 | R | 40.9 | Very low | 50.6 | Low | 241 Ų | 241 | 112.4 Ų | 112.4 | 91% | 0.909 | 57% | 0.566 | S | S | * | * | trans | -64 | 122.6 | 166.7 | -91.9 | -177.7 | 168.5 | 179.4 | -2.8 | 108.9 | P15 | P15-R17 PolarHBondContact O-N 2.99Å; P15-R17 VanDerWaalsContact O-N 3.08Å | ||
| 18 | S | 50 | Low | 51.4 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | trans | 70.6 | 61.3 | 150 | -52.4 | 0 | 0 | 0 | 0 | 118.7 | L16 R20 | L16-S18 PolarHBondContact O-N 3.05Å; S18-R20 PolarHBondContact O-N 3.09Å | ||
| 19 | D | 63.6 | Low | 52 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | trans | -87.1 | 64.2 | 158.7 | -166.3 | 26.6 | 0 | 0 | 0 | 110.6 | G38 | D19-G38 PolarHBondContact O-N 2.95Å; D19-G38 WeakPolarHBondContact OD2-CA 3.49Å | ||
| 20 | R | 65.7 | Low | 53.1 | Low | 164 Ų | 164 | 103.8 Ų | 103.8 | 62% | 0.619 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.6 | 174.4 | -71.8 | -179.6 | 89.2 | 146.9 | 2.3 | 108.1 | S18 T35 V36 | S18-R20 PolarHBondContact O-N 3.09Å; R20-T35 HydrophobicContact CB-CG2 3.84Å; R20-T35 HydrophobicContact CG-CG2 4.47Å; R20-V36 CarbonylContact C-O 3.52Å; R20-V36 WeakPolarHBondContact CA-O 3.29Å |
| 21 | T | 66.9 | Low | 53.9 | Low | 5 Ų | 5 | 101.1 Ų | 101.1 | 3% | 0.031 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.6 | -179.9 | -48.6 | 0 | 0 | 0 | 0 | 109.3 | V36 T79 I85 | T21-V36 PolarHBondContact N-O 3.46Å; T21-V36 PolarHBondContact O-N 2.97Å; T21-T79 HydrophobicContact CG2-CG2 3.27Å; T21-I85 HydrophobicContact CG2-CD1 3.77Å; T21-I85 HydrophobicContact CG2-CG1 3.87Å |
| 22 | H | 65.8 | Low | 55.7 | Low | 88 Ų | 88 | 98.9 Ų | 98.9 | 41% | 0.407 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 132.1 | 169.9 | -66.7 | -85 | 0 | 0 | 0 | 108.8 | T35 G83 S84 I85 | H22-T35 PolarHBondContact CE1-OG1 3.39Å; H22-T35 PolarHBondContact ND1-OG1 2.99Å; H22-G83 PolarHBondContact N-O 3.49Å; H22-S84 CarbonylContact O-C 3.58Å; H22-S84 WeakPolarHBondContact O-CA 3.36Å; H22-I85 PolarHBondContact O-N 3.37Å |
| 23 | V | 66.6 | Low | 57 | Low | 0 Ų | 0 | 98.3 Ų | 98.3 | 0% | 0 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 112.8 | -178.6 | 164.6 | 0 | 0 | 0 | 0 | 106.9 | T33 F34 V36 I85 L87 | V23-T33 CarbonylContact O-C 3.6Å; V23-T33 WeakPolarHBondContact O-CA 3.17Å; V23-F34 PolarHBondContact N-O 3.39Å; V23-F34 PolarHBondContact O-N 3.19Å; V23-V36 HydrophobicContact CB-CG2 4.38Å; V23-V36 HydrophobicContact CG2-CB 4.41Å; V23-V36 HydrophobicContact CG2-CG2 4.09Å; V23-I85 CarbonylContact C-O 3.54Å; V23-I85 WeakPolarHBondContact CA-O 3.25Å; V23-I85 HydrophobicContact CG2-CB 4.33Å; V23-L87 HydrophobicContact CB-CD1 4.3Å; V23-L87 HydrophobicContact CG1-CB 4.49Å; V23-L87 HydrophobicContact CG1-CD1 3.25Å; V23-L87 HydrophobicContact CG1-CG 4.38Å; V23-L87 HydrophobicContact CG2-CD1 4.2Å |
| 24 | V | 69.1 | Low | 58.6 | Low | 56 Ų | 56 | 91.8 Ų | 91.8 | 34% | 0.339 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 108.7 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | T33 I85 S86 L87 | V24-T33 HydrophobicContact CG2-CG2 4.02Å; V24-I85 PolarHBondContact N-O 3.2Å; V24-S86 CarbonylContact O-C 3.59Å; V24-S86 VanDerWaalsContact O-CA 3.29Å; V24-S86 WeakPolarHBondContact O-CA 3.44Å; V24-L87 PolarHBondContact O-N 3.49Å |
| 25 | L | 70.3 | Confident | 60.3 | Low | 1 Ų | 1 | 89.8 Ų | 89.8 | 1% | 0.005 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 126.4 | 175.5 | -155.6 | 74.8 | 0 | 0 | 0 | 109.7 | G31 R32 F34 L49 L53 L62 L87 V89 | L25-G31 CarbonylContact O-C 3.52Å; L25-G31 WeakPolarHBondContact O-CA 3.42Å; L25-R32 WeakPolarHBondContact CA-O 3.35Å; L25-R32 WeakPolarHBondContact CB-O 3.37Å; L25-R32 PolarHBondContact N-O 2.83Å; L25-R32 PolarHBondContact O-N 3.35Å; L25-F34 HydrophobicContact CB-CD2 4.31Å; L25-F34 HydrophobicContact CB-CE2 3.98Å; L25-F34 HydrophobicContact CD2-CE2 4.08Å; L25-L49 HydrophobicContact CD1-CD1 3.85Å; L25-L49 HydrophobicContact CD2-CD1 4.39Å; L25-L49 HydrophobicContact CD2-CD2 4.04Å; L25-L53 HydrophobicContact CD2-CD1 3.55Å; L25-L53 HydrophobicContact CD2-CD2 4.34Å; L25-L53 HydrophobicContact CD2-CG 4.47Å; L25-L62 HydrophobicContact CD1-CD2 4Å; L25-L87 CarbonylContact C-O 3.55Å; L25-L87 WeakPolarHBondContact CA-O 3.41Å; L25-L87 HydrophobicContact CD1-CB 3.75Å; L25-V89 HydrophobicContact CD1-CB 4.39Å; L25-V89 HydrophobicContact CD1-CG2 3.29Å; L25-V89 HydrophobicContact CD2-CB 4.33Å; L25-V89 HydrophobicContact CD2-CG2 3.78Å; L25-V89 HydrophobicContact CG-CB 4.34Å; L25-V89 HydrophobicContact CG-CG2 3.69Å |
| 26 | R | 65.2 | Low | 62 | Low | 172 Ų | 172 | 84.5 Ų | 84.5 | 65% | 0.649 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 97.2 | 170.9 | -168.6 | -175.4 | -67.3 | -135.8 | 1.8 | 107.9 | L87 C88 V89 | R26-L87 PolarHBondContact N-O 2.8Å; R26-C88 WeakPolarHBondContact O-CA 3.27Å; R26-V89 PolarHBondContact O-N 3.34Å |
| 27 | S | 59.4 | Low | 63.7 | Low | 18 Ų | 18 | 85 Ų | 85 | 13% | 0.126 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 154.3 | 171.1 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | S29 E30 | S27-S29 PolarHBondContact O-N 2.94Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S27-E30 VanDerWaalsContact CB-O 3.28Å; S27-E30 WeakPolarHBondContact CB-O 3.34Å; S27-E30 PolarHBondContact N-O 2.92Å; S27-E30 PolarHBondContact O-N 3.23Å |
| 28 | A | 53.7 | Low | 64.8 | Low | 112 Ų | 112 | 73.5 Ų | 73.5 | 93% | 0.926 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 29 | S | 51.2 | Low | 65.7 | Low | 92 Ų | 92 | 73.8 Ų | 73.8 | 64% | 0.643 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -21.3 | -178.2 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | S27 | S27-S29 PolarHBondContact O-N 2.94Å; S27-S29 VanDerWaalsContact O-N 3.07Å |
| 30 | E | 56 | Low | 66.3 | Low | 103 Ų | 103 | 70.5 Ų | 70.5 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 143.1 | -177.6 | -157.1 | -176.1 | -179.8 | 0 | 0 | 111.8 | S27 R32 | S27-E30 VanDerWaalsContact CB-O 3.28Å; S27-E30 WeakPolarHBondContact CB-O 3.34Å; S27-E30 PolarHBondContact N-O 2.92Å; S27-E30 PolarHBondContact O-N 3.23Å; E30-R32 IonicContact OE2-CZ 3.27Å; E30-R32 VanDerWaalsContact OE2-CZ 3.26Å; E30-R32 IonicContact OE2-NE 2.74Å; E30-R32 PolarHBondContact OE2-NE 3.1Å; E30-R32 IonicContact OE2-NH2 3.28Å; E30-R32 PolarHBondContact OE2-NH2 3.44Å |
| 31 | G | 60.4 | Low | 67 | Low | 56 Ų | 56 | 64.6 Ų | 64.6 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | L25 | L25-G31 CarbonylContact O-C 3.52Å; L25-G31 WeakPolarHBondContact O-CA 3.42Å |
| 32 | R | 69.8 | Low | 67.6 | Low | 97 Ų | 97 | 64.3 Ų | 64.3 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.9 | 179.6 | -69.5 | -174 | -175.6 | -165.7 | -0.7 | 112.1 | L25 E30 F34 R52 | L25-R32 WeakPolarHBondContact CA-O 3.35Å; L25-R32 WeakPolarHBondContact CB-O 3.37Å; L25-R32 PolarHBondContact N-O 2.83Å; L25-R32 PolarHBondContact O-N 3.35Å; E30-R32 IonicContact OE2-CZ 3.27Å; E30-R32 VanDerWaalsContact OE2-CZ 3.26Å; E30-R32 IonicContact OE2-NE 2.74Å; E30-R32 PolarHBondContact OE2-NE 3.1Å; E30-R32 IonicContact OE2-NH2 3.28Å; E30-R32 PolarHBondContact OE2-NH2 3.44Å; R32-F34 HydrophobicContact CB-CE2 3.57Å; R32-F34 HydrophobicContact CB-CZ 3.65Å; R32-R52 PolarHBondContact NH1-O 2.78Å |
| 33 | T | 69.9 | Low | 68.2 | Low | 90 Ų | 90 | 62.2 Ų | 62.2 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 131 | 179 | -53 | 0 | 0 | 0 | 0 | 111 | V23 V24 | V23-T33 CarbonylContact O-C 3.6Å; V23-T33 WeakPolarHBondContact O-CA 3.17Å; V24-T33 HydrophobicContact CG2-CG2 4.02Å |
| 34 | F | 72.7 | Confident | 69 | Low | 34 Ų | 34 | 66.9 Ų | 66.9 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150 | 177.9 | -55 | -83.6 | 0 | 0 | 0 | 110 | V23 L25 R32 V36 L49 R52 | V23-F34 PolarHBondContact N-O 3.39Å; V23-F34 PolarHBondContact O-N 3.19Å; L25-F34 HydrophobicContact CB-CD2 4.31Å; L25-F34 HydrophobicContact CB-CE2 3.98Å; L25-F34 HydrophobicContact CD2-CE2 4.08Å; R32-F34 HydrophobicContact CB-CE2 3.57Å; R32-F34 HydrophobicContact CB-CZ 3.65Å; F34-V36 HydrophobicContact CB-CG2 4.34Å; F34-L49 HydrophobicContact CD2-CD2 3.7Å; F34-L49 HydrophobicContact CE1-CD2 4.47Å; F34-L49 HydrophobicContact CE2-CD2 3.46Å; F34-L49 VanDerWaalsContact CE2-CD2 3.46Å; F34-L49 HydrophobicContact CG-CD2 4.3Å; F34-L49 HydrophobicContact CZ-CD2 3.88Å; F34-R52 HydrophobicContact CE1-CB 4Å; F34-R52 HydrophobicContact CE1-CG 4.23Å; F34-R52 HydrophobicContact CZ-CB 4.34Å |
| 35 | T | 73.5 | Confident | 69.4 | Low | 64 Ų | 64 | 64.3 Ų | 64.3 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.6 | 173 | -52.2 | 0 | 0 | 0 | 0 | 108.6 | R20 H22 | R20-T35 HydrophobicContact CB-CG2 3.84Å; R20-T35 HydrophobicContact CG-CG2 4.47Å; H22-T35 PolarHBondContact CE1-OG1 3.39Å; H22-T35 PolarHBondContact ND1-OG1 2.99Å |
| 36 | V | 73.2 | Confident | 69.8 | Low | 21 Ų | 21 | 65.4 Ų | 65.4 | 13% | 0.127 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.7 | -173.8 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | R20 T21 V23 F34 C40 L45 | R20-V36 CarbonylContact C-O 3.52Å; R20-V36 WeakPolarHBondContact CA-O 3.29Å; T21-V36 PolarHBondContact N-O 3.46Å; T21-V36 PolarHBondContact O-N 2.97Å; V23-V36 HydrophobicContact CB-CG2 4.38Å; V23-V36 HydrophobicContact CG2-CB 4.41Å; V23-V36 HydrophobicContact CG2-CG2 4.09Å; F34-V36 HydrophobicContact CB-CG2 4.34Å; V36-C40 HydrophobicContact CG1-CB 3.64Å; V36-L45 HydrophobicContact CG1-CD1 4.31Å; V36-L45 HydrophobicContact CG2-CD1 3.68Å |
| 37 | R | 73.9 | Confident | 70.6 | Confident | 170 Ų | 170 | 64 Ų | 64 | 64% | 0.642 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 142.5 | 174 | -69 | -178.6 | 156.4 | 133.5 | -5.1 | 109.7 | N39 C40 | R37-N39 VanDerWaalsContact CB-OD1 3.23Å; R37-N39 WeakPolarHBondContact CB-OD1 3.35Å; R37-N39 PolarHBondContact O-N 2.81Å; R37-C40 WeakPolarHBondContact O-CB 3.47Å; R37-C40 PolarHBondContact O-N 3.44Å |
| 38 | G | 64.8 | Low | 71.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | D19 C40 S76 | D19-G38 PolarHBondContact O-N 2.95Å; D19-G38 WeakPolarHBondContact OD2-CA 3.49Å; G38-C40 VanDerWaalsContact C-N 3.33Å; G38-C40 PolarHBondContact O-N 3.47Å; G38-S76 WeakPolarHBondContact O-CB 3.25Å; G38-S76 PolarHBondContact O-N 3.01Å |
| 39 | N | 68.9 | Low | 72.5 | Confident | 112 Ų | 112 | 61.4 Ų | 61.4 | 60% | 0.599 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 5.7 | 175.8 | 72.5 | -26.9 | 0 | 0 | 0 | 115 | R37 | R37-N39 VanDerWaalsContact CB-OD1 3.23Å; R37-N39 WeakPolarHBondContact CB-OD1 3.35Å; R37-N39 PolarHBondContact O-N 2.81Å |
| 40 | C | 74.9 | Confident | 73.9 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | trans | -75.9 | 139.5 | 175.9 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | V36 R37 G38 M75 | V36-C40 HydrophobicContact CG1-CB 3.64Å; R37-C40 WeakPolarHBondContact O-CB 3.47Å; R37-C40 PolarHBondContact O-N 3.44Å; G38-C40 VanDerWaalsContact C-N 3.33Å; G38-C40 PolarHBondContact O-N 3.47Å; C40-M75 WeakPolarHBondContact O-CG 3.31Å; C40-M75 PolarHBondContact O-N 3.05Å; C40-M75 VanDerWaalsContact O-N 3.08Å | ||
| 41 | T | 80.8 | Confident | 75 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -81.5 | 159.8 | 169.7 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | T43 Q44 L45 E73 L74 | T41-T43 PolarHBondContact O-N 3.47Å; T41-Q44 PolarHBondContact O-N 3.46Å; T41-Q44 VanDerWaalsContact O-N 3.09Å; T41-Q44 PolarHBondContact OG1-N 2.74Å; T41-L45 PolarHBondContact O-N 2.97Å; T41-E73 WeakPolarHBondContact CA-O 3.13Å; T41-L74 HydrophobicContact CG2-CD2 3.75Å |
| 42 | V | 79.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.5 | -36.8 | 173.7 | 175 | 0 | 0 | 0 | 0 | 111.4 | Q44 L45 K46 L62 L69 R70 E73 M75 | V42-Q44 PolarHBondContact O-N 3.19Å; V42-L45 PolarHBondContact O-N 3.35Å; V42-K46 HydrophobicContact CG1-CG 4.42Å; V42-K46 WeakPolarHBondContact O-CG 3.21Å; V42-K46 PolarHBondContact O-N 2.82Å; V42-L62 HydrophobicContact CG1-CD1 3.94Å; V42-L69 HydrophobicContact CG1-CB 3.96Å; V42-L69 HydrophobicContact CG2-CB 3.87Å; V42-L69 HydrophobicContact CG2-CD1 4.12Å; V42-R70 VanDerWaalsContact CB-O 3.26Å; V42-R70 WeakPolarHBondContact CB-O 3.36Å; V42-R70 WeakPolarHBondContact CG2-O 3.28Å; V42-E73 HydrophobicContact CG2-CB 4.07Å; V42-E73 WeakPolarHBondContact CG2-O 3.09Å; V42-E73 PolarHBondContact N-O 3.3Å; V42-M75 HydrophobicContact CG2-CE 3.43Å; V42-M75 VanDerWaalsContact CG2-CE 3.43Å |
| 43 | T | 79.8 | Confident | 75.6 | Confident | 44 Ų | 44 | 62.8 Ų | 62.8 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.8 | -47.1 | 0 | 0 | 0 | 0 | 112.6 | T41 L45 K46 R47 E71 | T41-T43 PolarHBondContact O-N 3.47Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-K46 PolarHBondContact O-N 2.88Å; T43-R47 PolarHBondContact O-N 3.41Å; T43-E71 PolarHBondContact N-O 3.31Å; T43-E71 WeakPolarHBondContact OG1-CB 3.19Å; T43-E71 PolarHBondContact OG1-O 2.88Å |
| 44 | Q | 81.8 | Confident | 75.7 | Confident | 97 Ų | 97 | 69.8 Ų | 69.8 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.1 | -36.3 | 177.6 | -116.4 | 151.7 | 12.9 | 0 | 0 | 111.5 | T41 V42 R47 C48 | T41-Q44 PolarHBondContact O-N 3.46Å; T41-Q44 VanDerWaalsContact O-N 3.09Å; T41-Q44 PolarHBondContact OG1-N 2.74Å; V42-Q44 PolarHBondContact O-N 3.19Å; Q44-R47 PolarHBondContact O-N 2.74Å; Q44-C48 PolarHBondContact O-N 3.16Å; Q44-C48 PolarHBondContact O-SG 2.87Å |
| 45 | L | 78.4 | Confident | 75.8 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 172.3 | -177.9 | 58.7 | 0 | 0 | 0 | 111.8 | V36 T41 V42 T43 R47 C48 L49 L62 M75 L87 | V36-L45 HydrophobicContact CG1-CD1 4.31Å; V36-L45 HydrophobicContact CG2-CD1 3.68Å; T41-L45 PolarHBondContact O-N 2.97Å; V42-L45 PolarHBondContact O-N 3.35Å; T43-L45 VanDerWaalsContact C-N 3.34Å; L45-R47 VanDerWaalsContact C-N 3.28Å; L45-R47 PolarHBondContact O-N 2.92Å; L45-C48 PolarHBondContact O-N 3.39Å; L45-L49 HydrophobicContact CD1-CD1 4.24Å; L45-L49 HydrophobicContact CD1-CG 4.19Å; L45-L49 HydrophobicContact CG-CD1 4.04Å; L45-L49 HydrophobicContact CG-CG 4.4Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.9Å; L45-L62 HydrophobicContact CD2-CD1 4.04Å; L45-L62 HydrophobicContact CG-CD1 4.16Å; L45-M75 HydrophobicContact CD2-CE 4.28Å; L45-M75 HydrophobicContact CD2-SD 3.69Å; L45-L87 HydrophobicContact CD2-CD1 3.92Å |
| 46 | K | 78.6 | Confident | 76 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 10% | 0.104 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.6 | -41 | 174.9 | -74.9 | -174.6 | -178.7 | -169.8 | 0 | 111.8 | V42 T43 L49 S50 A57 L60 L62 E71 | V42-K46 HydrophobicContact CG1-CG 4.42Å; V42-K46 WeakPolarHBondContact O-CG 3.21Å; V42-K46 PolarHBondContact O-N 2.82Å; T43-K46 PolarHBondContact O-N 2.88Å; K46-L49 PolarHBondContact O-N 3.47Å; K46-S50 WeakPolarHBondContact O-CB 3.47Å; K46-S50 PolarHBondContact O-N 2.87Å; K46-A57 HydrophobicContact CB-CB 4.31Å; K46-L60 WeakPolarHBondContact CE-O 3.36Å; K46-L60 PolarHBondContact NZ-O 3.35Å; K46-L60 VanDerWaalsContact NZ-O 3.15Å; K46-L62 HydrophobicContact CG-CD1 3.56Å; K46-L62 HydrophobicContact CG-CG 4.25Å; K46-E71 IonicContact NZ-OE1 2.74Å |
| 47 | R | 80.7 | Confident | 75.9 | Confident | 143 Ų | 143 | 69.4 Ų | 69.4 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 175.1 | -168.8 | -179.2 | -62.7 | 127.9 | 2.3 | 111.6 | T43 Q44 L45 L49 S50 E51 | T43-R47 PolarHBondContact O-N 3.41Å; Q44-R47 PolarHBondContact O-N 2.74Å; L45-R47 VanDerWaalsContact C-N 3.28Å; L45-R47 PolarHBondContact O-N 2.92Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 2.78Å; R47-S50 WeakPolarHBondContact CA-OG 3.37Å; R47-S50 PolarHBondContact O-N 2.83Å; R47-S50 PolarHBondContact O-OG 3.29Å; R47-E51 PolarHBondContact O-N 3.44Å |
| 48 | C | 77.6 | Confident | 75.9 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 175 | -74 | 0 | 0 | 0 | 0 | 112.3 | Q44 L45 R52 | Q44-C48 PolarHBondContact O-N 3.16Å; Q44-C48 PolarHBondContact O-SG 2.87Å; L45-C48 PolarHBondContact O-N 3.39Å; C48-R52 WeakPolarHBondContact O-CG 3.48Å; C48-R52 PolarHBondContact O-N 3.1Å |
| 49 | L | 76.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.3 | -34.5 | 177 | -69.7 | 178.1 | 0 | 0 | 0 | 112.3 | L25 F34 L45 K46 R47 E51 R52 L53 L60 L62 | L25-L49 HydrophobicContact CD1-CD1 3.85Å; L25-L49 HydrophobicContact CD2-CD1 4.39Å; L25-L49 HydrophobicContact CD2-CD2 4.04Å; F34-L49 HydrophobicContact CD2-CD2 3.7Å; F34-L49 HydrophobicContact CE1-CD2 4.47Å; F34-L49 HydrophobicContact CE2-CD2 3.46Å; F34-L49 VanDerWaalsContact CE2-CD2 3.46Å; F34-L49 HydrophobicContact CG-CD2 4.3Å; F34-L49 HydrophobicContact CZ-CD2 3.88Å; L45-L49 HydrophobicContact CD1-CD1 4.24Å; L45-L49 HydrophobicContact CD1-CG 4.19Å; L45-L49 HydrophobicContact CG-CD1 4.04Å; L45-L49 HydrophobicContact CG-CG 4.4Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.9Å; K46-L49 PolarHBondContact O-N 3.47Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 2.78Å; L49-E51 VanDerWaalsContact C-N 3.32Å; L49-E51 PolarHBondContact O-N 3.04Å; L49-R52 PolarHBondContact O-N 2.88Å; L49-L53 HydrophobicContact CB-CD1 4.11Å; L49-L53 HydrophobicContact CD2-CD1 4.41Å; L49-L53 WeakPolarHBondContact O-CB 3.19Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.11Å; L49-L53 PolarHBondContact O-N 3.43Å; L49-L60 HydrophobicContact CB-CD1 4.23Å; L49-L62 HydrophobicContact CD1-CD1 4.33Å; L49-L62 HydrophobicContact CD1-CD2 3.64Å |
| 50 | S | 79.9 | Confident | 76.3 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.5 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | K46 R47 R54 V55 | K46-S50 WeakPolarHBondContact O-CB 3.47Å; K46-S50 PolarHBondContact O-N 2.87Å; R47-S50 WeakPolarHBondContact CA-OG 3.37Å; R47-S50 PolarHBondContact O-N 2.83Å; R47-S50 PolarHBondContact O-OG 3.29Å; S50-R54 VanDerWaalsContact O-CA 3.28Å; S50-R54 WeakPolarHBondContact O-CA 3.45Å; S50-R54 PolarHBondContact O-N 2.75Å; S50-V55 WeakPolarHBondContact CA-O 3.19Å; S50-V55 WeakPolarHBondContact CB-O 3.45Å; S50-V55 PolarHBondContact O-N 2.84Å |
| 51 | E | 79.1 | Confident | 76.4 | Confident | 156 Ų | 156 | 65 Ų | 65 | 73% | 0.729 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.6 | -37 | 177.1 | -167.2 | -179.9 | 174.1 | 0 | 0 | 112.2 | R47 L49 | R47-E51 PolarHBondContact O-N 3.44Å; L49-E51 VanDerWaalsContact C-N 3.32Å; L49-E51 PolarHBondContact O-N 3.04Å |
| 52 | R | 70.8 | Confident | 76.2 | Confident | 168 Ų | 168 | 63.2 Ų | 63.2 | 63% | 0.634 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -84.2 | -26.6 | -175.9 | -59.3 | -68 | -86.8 | -166 | -3.3 | 113.6 | R32 F34 C48 L49 | R32-R52 PolarHBondContact NH1-O 2.78Å; F34-R52 HydrophobicContact CE1-CB 4Å; F34-R52 HydrophobicContact CE1-CG 4.23Å; F34-R52 HydrophobicContact CZ-CB 4.34Å; C48-R52 WeakPolarHBondContact O-CG 3.48Å; C48-R52 PolarHBondContact O-N 3.1Å; L49-R52 PolarHBondContact O-N 2.88Å |
| 53 | L | 71.8 | Confident | 76 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -102.5 | -8.1 | 179.9 | -60 | 171.6 | 0 | 0 | 0 | 112.9 | L25 L49 V55 | L25-L53 HydrophobicContact CD2-CD1 3.55Å; L25-L53 HydrophobicContact CD2-CD2 4.34Å; L25-L53 HydrophobicContact CD2-CG 4.47Å; L49-L53 HydrophobicContact CB-CD1 4.11Å; L49-L53 HydrophobicContact CD2-CD1 4.41Å; L49-L53 WeakPolarHBondContact O-CB 3.19Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.11Å; L49-L53 PolarHBondContact O-N 3.43Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 HydrophobicContact CB-CG2 4.29Å; L53-V55 PolarHBondContact O-N 3.46Å |
| 54 | R | 72.6 | Confident | 75.7 | Confident | 237 Ų | 237 | 63.8 Ų | 63.8 | 89% | 0.894 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 44 | -173.9 | -64.4 | -172.6 | 174.9 | 150.8 | -2.2 | 113.2 | S50 | S50-R54 VanDerWaalsContact O-CA 3.28Å; S50-R54 WeakPolarHBondContact O-CA 3.45Å; S50-R54 PolarHBondContact O-N 2.75Å |
| 55 | V | 76.1 | Confident | 74.9 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -130.4 | 133.9 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | S50 L53 Q59 L60 R91 | S50-V55 WeakPolarHBondContact CA-O 3.19Å; S50-V55 WeakPolarHBondContact CB-O 3.45Å; S50-V55 PolarHBondContact O-N 2.84Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 HydrophobicContact CB-CG2 4.29Å; L53-V55 PolarHBondContact O-N 3.46Å; V55-Q59 HydrophobicContact CG1-CB 4.09Å; V55-L60 HydrophobicContact CB-CD2 4.01Å; V55-L60 HydrophobicContact CB-CG 4.35Å; V55-L60 HydrophobicContact CG1-CD2 3.72Å; V55-L60 HydrophobicContact CG1-CG 4.01Å; V55-R91 HydrophobicContact CG1-CG 4.28Å; V55-R91 VanDerWaalsContact CG2-NE 3.29Å |
| 56 | P | 77.1 | Confident | 74 | Confident | 65 Ų | 65 | 68 Ų | 68 | 42% | 0.422 | 35% | 0.352 | S | S | . | . | trans | -61.5 | 142.6 | -179.1 | 26.4 | -35 | 0 | 0 | 0 | 111.6 | E58 Q59 | P56-E58 PolarHBondContact O-N 2.83Å; P56-Q59 HydrophobicContact CG-CB 4.14Å; P56-Q59 HydrophobicContact CG-CG 3.75Å; P56-Q59 PolarHBondContact O-N 2.7Å | ||
| 57 | A | 71.8 | Confident | 73.8 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -58.8 | -24 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K46 L60 | K46-A57 HydrophobicContact CB-CB 4.31Å; A57-L60 PolarHBondContact O-N 2.85Å |
| 58 | E | 71.9 | Confident | 73.6 | Confident | 166 Ų | 166 | 73.4 Ų | 73.4 | 78% | 0.776 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -73.3 | -28.6 | 179.7 | -60 | -177.7 | -178.1 | 0 | 0 | 112.9 | P56 L60 | P56-E58 PolarHBondContact O-N 2.83Å; E58-L60 VanDerWaalsContact C-N 3.33Å |
| 59 | Q | 72 | Confident | 73.4 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -86.1 | -8.3 | 177.1 | -66.7 | 175 | 5.1 | 0 | 0 | 112.3 | V55 P56 I90 R91 R92 E94 | V55-Q59 HydrophobicContact CG1-CB 4.09Å; P56-Q59 HydrophobicContact CG-CB 4.14Å; P56-Q59 HydrophobicContact CG-CG 3.75Å; P56-Q59 PolarHBondContact O-N 2.7Å; Q59-I90 VanDerWaalsContact O-O 3.11Å; Q59-R91 WeakPolarHBondContact O-CA 3.17Å; Q59-R92 WeakPolarHBondContact CG-O 3.38Å; Q59-R92 PolarHBondContact O-N 2.62Å; Q59-E94 PolarHBondContact NE2-OE2 3.45Å |
| 60 | L | 71.9 | Confident | 73.4 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 112.6 | -176.5 | -65 | 175.6 | 0 | 0 | 0 | 111.4 | K46 L49 V55 A57 E58 V89 | K46-L60 WeakPolarHBondContact CE-O 3.36Å; K46-L60 PolarHBondContact NZ-O 3.35Å; K46-L60 VanDerWaalsContact NZ-O 3.15Å; L49-L60 HydrophobicContact CB-CD1 4.23Å; V55-L60 HydrophobicContact CB-CD2 4.01Å; V55-L60 HydrophobicContact CB-CG 4.35Å; V55-L60 HydrophobicContact CG1-CD2 3.72Å; V55-L60 HydrophobicContact CG1-CG 4.01Å; A57-L60 PolarHBondContact O-N 2.85Å; E58-L60 VanDerWaalsContact C-N 3.33Å; L60-V89 HydrophobicContact CD2-CG1 3.48Å; L60-V89 VanDerWaalsContact CD2-CG1 3.48Å |
| 61 | V | 76.1 | Confident | 73.1 | Confident | 10 Ų | 10 | 82.5 Ų | 82.5 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.7 | 168.5 | -170.6 | 0 | 0 | 0 | 0 | 108.8 | L63 V68 V89 I90 R92 | V61-L63 HydrophobicContact CB-CD1 4.36Å; V61-L63 HydrophobicContact CG1-CD1 3.95Å; V61-L63 HydrophobicContact CG1-CG 4.43Å; V61-V68 HydrophobicContact CG1-CG1 3.76Å; V61-V68 HydrophobicContact CG1-CG2 4.42Å; V61-V89 WeakPolarHBondContact O-CA 3.35Å; V61-I90 PolarHBondContact N-O 2.89Å; V61-I90 VanDerWaalsContact N-O 3.16Å; V61-I90 PolarHBondContact O-N 3.34Å; V61-R92 HydrophobicContact CG2-CG 4.05Å; V61-R92 VanDerWaalsContact CG2-NE 3.33Å |
| 62 | L | 76.7 | Confident | 72.7 | Confident | 1 Ų | 1 | 79.4 Ų | 79.4 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.5 | 177.3 | -72.3 | 168.4 | 0 | 0 | 0 | 109 | L25 V42 L45 K46 L49 L69 L87 V89 | L25-L62 HydrophobicContact CD1-CD2 4Å; V42-L62 HydrophobicContact CG1-CD1 3.94Å; L45-L62 HydrophobicContact CD2-CD1 4.04Å; L45-L62 HydrophobicContact CG-CD1 4.16Å; K46-L62 HydrophobicContact CG-CD1 3.56Å; K46-L62 HydrophobicContact CG-CG 4.25Å; L49-L62 HydrophobicContact CD1-CD1 4.33Å; L49-L62 HydrophobicContact CD1-CD2 3.64Å; L62-L69 HydrophobicContact CB-CB 4.38Å; L62-L69 HydrophobicContact CB-CD1 4.3Å; L62-L69 PolarHBondContact O-N 3.08Å; L62-L87 HydrophobicContact CB-CD2 4.01Å; L62-L87 HydrophobicContact CD2-CB 4.33Å; L62-L87 HydrophobicContact CD2-CD2 4.14Å; L62-V89 HydrophobicContact CD2-CG2 3.44Å; L62-V89 VanDerWaalsContact CD2-CG2 3.44Å |
| 63 | L | 75.9 | Confident | 72.8 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.1 | 175.5 | -59.4 | 92.2 | 0 | 0 | 0 | 110 | V61 R67 V68 L87 C88 I90 | V61-L63 HydrophobicContact CB-CD1 4.36Å; V61-L63 HydrophobicContact CG1-CD1 3.95Å; V61-L63 HydrophobicContact CG1-CG 4.43Å; L63-R67 CarbonylContact C-O 3.59Å; L63-R67 VanDerWaalsContact CA-O 3.27Å; L63-R67 WeakPolarHBondContact CA-O 3.16Å; L63-V68 HydrophobicContact CD2-CG2 4.06Å; L63-V68 HydrophobicContact CG-CG2 4.21Å; L63-L87 CarbonylContact O-C 3.46Å; L63-L87 WeakPolarHBondContact O-CA 3.45Å; L63-C88 HydrophobicContact CB-CB 4.23Å; L63-C88 PolarHBondContact N-O 2.7Å; L63-C88 PolarHBondContact O-N 3.3Å; L63-I90 HydrophobicContact CD1-CB 4.43Å; L63-I90 HydrophobicContact CD1-CD1 3.51Å; L63-I90 HydrophobicContact CD1-CG1 3.72Å; L63-I90 HydrophobicContact CD2-CD1 4.31Å |
| 64 | L | 72.9 | Confident | 72.9 | Confident | 22 Ų | 22 | 75 Ų | 75 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 113.5 | 172.9 | 177.4 | 57.8 | 0 | 0 | 0 | 109.3 | G66 R67 L69 L78 I85 S86 L87 | L64-G66 PolarHBondContact O-N 2.75Å; L64-G66 VanDerWaalsContact O-N 3.12Å; L64-R67 PolarHBondContact N-O 2.73Å; L64-R67 WeakPolarHBondContact O-CB 3.49Å; L64-R67 PolarHBondContact O-N 3.46Å; L64-L69 HydrophobicContact CB-CD1 4.1Å; L64-L69 HydrophobicContact CB-CD2 3.99Å; L64-L69 HydrophobicContact CB-CG 4.1Å; L64-L69 HydrophobicContact CD2-CD2 4.49Å; L64-L78 HydrophobicContact CD2-CB 3.64Å; L64-L78 HydrophobicContact CD2-CD1 4.41Å; L64-L78 HydrophobicContact CD2-CD2 4.05Å; L64-L78 HydrophobicContact CD2-CG 4.23Å; L64-I85 HydrophobicContact CD1-CG2 3.33Å; L64-I85 HydrophobicContact CD2-CG2 3.97Å; L64-I85 HydrophobicContact CG-CG2 4.23Å; L64-S86 VanDerWaalsContact CD1-O 3.27Å; L64-S86 WeakPolarHBondContact CD1-O 3.28Å; L64-L87 HydrophobicContact CB-CD2 4.32Å |
| 65 | S | 64.9 | Low | 72.6 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 81% | 0.811 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 43.8 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 66 | G | 60.2 | Low | 72 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 74% | 0.742 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -1.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L64 | L64-G66 PolarHBondContact O-N 2.75Å; L64-G66 VanDerWaalsContact O-N 3.12Å |
| 67 | R | 72.9 | Confident | 71.3 | Confident | 198 Ų | 198 | 69 Ų | 69 | 75% | 0.747 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.6 | 175.1 | -62.8 | -173.5 | 179.5 | -158.6 | -0.2 | 111.5 | L63 L64 L69 | L63-R67 CarbonylContact C-O 3.59Å; L63-R67 VanDerWaalsContact CA-O 3.27Å; L63-R67 WeakPolarHBondContact CA-O 3.16Å; L64-R67 PolarHBondContact N-O 2.73Å; L64-R67 WeakPolarHBondContact O-CB 3.49Å; L64-R67 PolarHBondContact O-N 3.46Å; R67-L69 PolarHBondContact O-N 3.4Å |
| 68 | V | 77.3 | Confident | 70.8 | Confident | 82 Ų | 82 | 69.3 Ų | 69.3 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 120.6 | 170.8 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | V61 L63 | V61-V68 HydrophobicContact CG1-CG1 3.76Å; V61-V68 HydrophobicContact CG1-CG2 4.42Å; L63-V68 HydrophobicContact CD2-CG2 4.06Å; L63-V68 HydrophobicContact CG-CG2 4.21Å |
| 69 | L | 73.9 | Confident | 70.2 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 131 | -179.1 | -66.1 | -177 | 0 | 0 | 0 | 111.3 | V42 L62 L64 R67 E73 M75 L78 L87 | V42-L69 HydrophobicContact CG1-CB 3.96Å; V42-L69 HydrophobicContact CG2-CB 3.87Å; V42-L69 HydrophobicContact CG2-CD1 4.12Å; L62-L69 HydrophobicContact CB-CB 4.38Å; L62-L69 HydrophobicContact CB-CD1 4.3Å; L62-L69 PolarHBondContact O-N 3.08Å; L64-L69 HydrophobicContact CB-CD1 4.1Å; L64-L69 HydrophobicContact CB-CD2 3.99Å; L64-L69 HydrophobicContact CB-CG 4.1Å; L64-L69 HydrophobicContact CD2-CD2 4.49Å; R67-L69 PolarHBondContact O-N 3.4Å; L69-E73 WeakPolarHBondContact CD2-OE2 3.11Å; L69-M75 HydrophobicContact CD1-CE 4.27Å; L69-L78 HydrophobicContact CD1-CD1 3.86Å; L69-L78 HydrophobicContact CD2-CD1 3.44Å; L69-L78 VanDerWaalsContact CD2-CD1 3.44Å; L69-L78 HydrophobicContact CD2-CD2 3.76Å; L69-L78 HydrophobicContact CD2-CG 4.24Å; L69-L78 HydrophobicContact CG-CD1 4.29Å; L69-L87 HydrophobicContact CD1-CD2 3.4Å |
| 70 | R | 76.1 | Confident | 69.4 | Low | 176 Ų | 176 | 70 Ų | 70 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 149.4 | 175.2 | -70 | 177.6 | -68.5 | -137.4 | -1.9 | 110.7 | V42 A72 E73 | V42-R70 VanDerWaalsContact CB-O 3.26Å; V42-R70 WeakPolarHBondContact CB-O 3.36Å; V42-R70 WeakPolarHBondContact CG2-O 3.28Å; R70-A72 PolarHBondContact O-N 3.15Å; R70-A72 VanDerWaalsContact O-N 3.14Å; R70-E73 HydrophobicContact CB-CG 4.26Å; R70-E73 IonicContact CZ-OE1 3.04Å; R70-E73 VanDerWaalsContact CZ-OE1 3.28Å; R70-E73 IonicContact NE-OE1 3.18Å; R70-E73 PolarHBondContact NE-OE1 3.42Å; R70-E73 IonicContact NH2-OE1 2.89Å; R70-E73 PolarHBondContact NH2-OE1 3.18Å; R70-E73 PolarHBondContact O-N 3.27Å |
| 71 | E | 74.2 | Confident | 68.4 | Low | 114 Ų | 114 | 77.9 Ų | 77.9 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.6 | -176.7 | -78.3 | -173.8 | -167.3 | 0 | 0 | 114.4 | T43 K46 | T43-E71 PolarHBondContact N-O 3.31Å; T43-E71 WeakPolarHBondContact OG1-CB 3.19Å; T43-E71 PolarHBondContact OG1-O 2.88Å; K46-E71 IonicContact NZ-OE1 2.74Å |
| 72 | A | 70.4 | Confident | 67 | Low | 91 Ų | 91 | 86.4 Ų | 86.4 | 75% | 0.752 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R70 | R70-A72 PolarHBondContact O-N 3.15Å; R70-A72 VanDerWaalsContact O-N 3.14Å |
| 73 | E | 72.3 | Confident | 66.1 | Low | 45 Ų | 45 | 88.2 Ų | 88.2 | 21% | 0.21 | 47% | 0.469 | C | S | . | . | trans | -79.6 | 142.5 | -179.3 | -73.6 | 174.1 | -177 | 0 | 0 | 111.8 | T41 V42 L69 R70 L78 | T41-E73 WeakPolarHBondContact CA-O 3.13Å; V42-E73 HydrophobicContact CG2-CB 4.07Å; V42-E73 WeakPolarHBondContact CG2-O 3.09Å; V42-E73 PolarHBondContact N-O 3.3Å; L69-E73 WeakPolarHBondContact CD2-OE2 3.11Å; R70-E73 HydrophobicContact CB-CG 4.26Å; R70-E73 IonicContact CZ-OE1 3.04Å; R70-E73 VanDerWaalsContact CZ-OE1 3.28Å; R70-E73 IonicContact NE-OE1 3.18Å; R70-E73 PolarHBondContact NE-OE1 3.42Å; R70-E73 IonicContact NH2-OE1 2.89Å; R70-E73 PolarHBondContact NH2-OE1 3.18Å; R70-E73 PolarHBondContact O-N 3.27Å; E73-L78 HydrophobicContact CB-CD1 4.44Å | ||
| 74 | L | 73.2 | Confident | 65.1 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 29% | 0.293 | 48% | 0.484 | S | S | . | . | B | Isolated β-bridge | trans | -94.5 | 141.6 | 179.4 | -69.7 | 168.6 | 0 | 0 | 0 | 110.4 | T41 S76 H77 | T41-L74 HydrophobicContact CG2-CD2 3.75Å; L74-S76 PolarHBondContact O-N 2.97Å; L74-H77 PolarHBondContact O-N 2.94Å; L74-H77 VanDerWaalsContact O-N 3.16Å |
| 75 | M | 66.7 | Low | 64.7 | Low | 0 Ų | 0 | 89.2 Ų | 89.2 | 0% | 0 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -60.3 | -33 | 176.9 | -69.1 | -62.4 | 96.4 | 0 | 0 | 112.7 | C40 V42 L45 L69 H77 L78 T79 I85 | C40-M75 WeakPolarHBondContact O-CG 3.31Å; C40-M75 PolarHBondContact O-N 3.05Å; C40-M75 VanDerWaalsContact O-N 3.08Å; V42-M75 HydrophobicContact CG2-CE 3.43Å; V42-M75 VanDerWaalsContact CG2-CE 3.43Å; L45-M75 HydrophobicContact CD2-CE 4.28Å; L45-M75 HydrophobicContact CD2-SD 3.69Å; L69-M75 HydrophobicContact CD1-CE 4.27Å; M75-H77 VanDerWaalsContact C-N 3.26Å; M75-H77 PolarHBondContact O-N 3.45Å; M75-L78 HydrophobicContact CE-CD1 3.48Å; M75-L78 VanDerWaalsContact CE-CD1 3.48Å; M75-L78 PolarHBondContact O-N 3.37Å; M75-L78 VanDerWaalsContact O-N 3.09Å; M75-T79 PolarHBondContact O-N 3.45Å; M75-I85 HydrophobicContact SD-CD1 4.2Å |
| 76 | S | 64.5 | Low | 64.4 | Low | 44 Ų | 44 | 86.1 Ų | 86.1 | 31% | 0.308 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -60.5 | -29.4 | 176.5 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | G38 L74 L78 T79 | G38-S76 WeakPolarHBondContact O-CB 3.25Å; G38-S76 PolarHBondContact O-N 3.01Å; L74-S76 PolarHBondContact O-N 2.97Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-T79 PolarHBondContact O-OG1 3.33Å |
| 77 | H | 61 | Low | 64.7 | Low | 143 Ų | 143 | 82.7 Ų | 82.7 | 66% | 0.662 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -83.6 | -12.1 | 178 | -66.8 | 171.1 | 0 | 0 | 0 | 113 | L74 M75 | L74-H77 PolarHBondContact O-N 2.94Å; L74-H77 VanDerWaalsContact O-N 3.16Å; M75-H77 VanDerWaalsContact C-N 3.26Å; M75-H77 PolarHBondContact O-N 3.45Å |
| 78 | L | 61.1 | Low | 64 | Low | 40 Ų | 40 | 75.8 Ų | 75.8 | 21% | 0.209 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -11.3 | -174.8 | -62.6 | 169.7 | 0 | 0 | 0 | 112.3 | L64 L69 E73 M75 S76 E80 I85 | L64-L78 HydrophobicContact CD2-CB 3.64Å; L64-L78 HydrophobicContact CD2-CD1 4.41Å; L64-L78 HydrophobicContact CD2-CD2 4.05Å; L64-L78 HydrophobicContact CD2-CG 4.23Å; L69-L78 HydrophobicContact CD1-CD1 3.86Å; L69-L78 HydrophobicContact CD2-CD1 3.44Å; L69-L78 VanDerWaalsContact CD2-CD1 3.44Å; L69-L78 HydrophobicContact CD2-CD2 3.76Å; L69-L78 HydrophobicContact CD2-CG 4.24Å; L69-L78 HydrophobicContact CG-CD1 4.29Å; E73-L78 HydrophobicContact CB-CD1 4.44Å; M75-L78 HydrophobicContact CE-CD1 3.48Å; M75-L78 VanDerWaalsContact CE-CD1 3.48Å; M75-L78 PolarHBondContact O-N 3.37Å; M75-L78 VanDerWaalsContact O-N 3.09Å; S76-L78 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 2.87Å; L78-I85 HydrophobicContact CB-CD1 4.41Å |
| 79 | T | 59.8 | Low | 63.6 | Low | 43 Ų | 43 | 72.3 Ų | 72.3 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | trans | -76.5 | 66.1 | 169.9 | 42.6 | 0 | 0 | 0 | 0 | 111.3 | T21 M75 S76 I85 | T21-T79 HydrophobicContact CG2-CG2 3.27Å; M75-T79 PolarHBondContact O-N 3.45Å; S76-T79 PolarHBondContact O-OG1 3.33Å; T79-I85 HydrophobicContact CG2-CD1 3.69Å; T79-I85 HydrophobicContact CG2-CG1 3.96Å | ||
| 80 | E | 56 | Low | 63.4 | Low | 176 Ų | 176 | 75.3 Ų | 75.3 | 82% | 0.822 | 40% | 0.399 | S | S | * | . | trans | -78.4 | -27.8 | -176.2 | -113.9 | 174.9 | -176.4 | 0 | 0 | 113.5 | L78 | L78-E80 PolarHBondContact O-N 2.87Š| ||
| 81 | Q | 50.6 | Low | 63.1 | Low | 167 Ų | 167 | 72.9 Ų | 72.9 | 78% | 0.78 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -155.6 | 140.2 | 169.2 | -72.6 | -162.5 | 25.8 | 0 | 0 | 111.5 | ||
| 82 | K | 47.3 | Very low | 62.6 | Low | 189 Ų | 189 | 74.2 Ų | 74.2 | 82% | 0.822 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 78.8 | 19.3 | 167 | -65.8 | -173 | 173 | -177.6 | 0 | 120.4 | S84 | K82-S84 PolarHBondContact O-N 3.13Š|
| 83 | G | 56.6 | Low | 61.4 | Low | 40 Ų | 40 | 75.6 Ų | 75.6 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 58.3 | 8.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | H22 | H22-G83 PolarHBondContact N-O 3.49Š|
| 84 | S | 55.3 | Low | 60 | Low | 69 Ų | 69 | 79.5 Ų | 79.5 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 112 | -177 | -65.2 | 0 | 0 | 0 | 0 | 108 | H22 K82 | H22-S84 CarbonylContact O-C 3.58Å; H22-S84 WeakPolarHBondContact O-CA 3.36Å; K82-S84 PolarHBondContact O-N 3.13Å |
| 85 | I | 63.5 | Low | 58.5 | Low | 7 Ų | 7 | 81.9 Ų | 81.9 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120.7 | 179.3 | -59.5 | 179.6 | 0 | 0 | 0 | 108.1 | T21 H22 V23 V24 L64 M75 L78 T79 L87 | T21-I85 HydrophobicContact CG2-CD1 3.77Å; T21-I85 HydrophobicContact CG2-CG1 3.87Å; H22-I85 PolarHBondContact O-N 3.37Å; V23-I85 CarbonylContact C-O 3.54Å; V23-I85 WeakPolarHBondContact CA-O 3.25Å; V23-I85 HydrophobicContact CG2-CB 4.33Å; V24-I85 PolarHBondContact N-O 3.2Å; L64-I85 HydrophobicContact CD1-CG2 3.33Å; L64-I85 HydrophobicContact CD2-CG2 3.97Å; L64-I85 HydrophobicContact CG-CG2 4.23Å; M75-I85 HydrophobicContact SD-CD1 4.2Å; L78-I85 HydrophobicContact CB-CD1 4.41Å; T79-I85 HydrophobicContact CG2-CD1 3.69Å; T79-I85 HydrophobicContact CG2-CG1 3.96Å; I85-L87 HydrophobicContact CB-CD1 4.41Å; I85-L87 HydrophobicContact CG2-CD1 3.71Å; I85-L87 HydrophobicContact CG2-CD2 4.48Å; I85-L87 HydrophobicContact CG2-CG 3.75Å |
| 86 | S | 60.2 | Low | 56.9 | Low | 51 Ų | 51 | 87.9 Ų | 87.9 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 111.2 | 171.7 | -176 | 0 | 0 | 0 | 0 | 109.8 | V24 L64 | V24-S86 CarbonylContact O-C 3.59Å; V24-S86 VanDerWaalsContact O-CA 3.29Å; V24-S86 WeakPolarHBondContact O-CA 3.44Å; L64-S86 VanDerWaalsContact CD1-O 3.27Å; L64-S86 WeakPolarHBondContact CD1-O 3.28Å |
| 87 | L | 65.7 | Low | 55.6 | Low | 0 Ų | 0 | 90.9 Ų | 90.9 | 0% | 0 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.1 | -177.9 | -80.9 | 149 | 0 | 0 | 0 | 110.1 | V23 V24 L25 R26 L45 L62 L63 L64 L69 I85 | V23-L87 HydrophobicContact CB-CD1 4.3Å; V23-L87 HydrophobicContact CG1-CB 4.49Å; V23-L87 HydrophobicContact CG1-CD1 3.25Å; V23-L87 HydrophobicContact CG1-CG 4.38Å; V23-L87 HydrophobicContact CG2-CD1 4.2Å; V24-L87 PolarHBondContact O-N 3.49Å; L25-L87 CarbonylContact C-O 3.55Å; L25-L87 WeakPolarHBondContact CA-O 3.41Å; L25-L87 HydrophobicContact CD1-CB 3.75Å; R26-L87 PolarHBondContact N-O 2.8Å; L45-L87 HydrophobicContact CD2-CD1 3.92Å; L62-L87 HydrophobicContact CB-CD2 4.01Å; L62-L87 HydrophobicContact CD2-CB 4.33Å; L62-L87 HydrophobicContact CD2-CD2 4.14Å; L63-L87 CarbonylContact O-C 3.46Å; L63-L87 WeakPolarHBondContact O-CA 3.45Å; L64-L87 HydrophobicContact CB-CD2 4.32Å; L69-L87 HydrophobicContact CD1-CD2 3.4Å; I85-L87 HydrophobicContact CB-CD1 4.41Å; I85-L87 HydrophobicContact CG2-CD1 3.71Å; I85-L87 HydrophobicContact CG2-CD2 4.48Å; I85-L87 HydrophobicContact CG2-CG 3.75Å |
| 88 | C | 59.3 | Low | 54.2 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 37% | 0.365 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 133.9 | 170.4 | -65.2 | 0 | 0 | 0 | 0 | 109.6 | R26 L63 | R26-C88 WeakPolarHBondContact O-CA 3.27Å; L63-C88 HydrophobicContact CB-CB 4.23Å; L63-C88 PolarHBondContact N-O 2.7Å; L63-C88 PolarHBondContact O-N 3.3Å |
| 89 | V | 68.9 | Low | 52.9 | Low | 8 Ų | 8 | 98.1 Ų | 98.1 | 5% | 0.048 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.9 | 176.3 | 167.2 | 0 | 0 | 0 | 0 | 110.1 | L25 R26 L60 V61 L62 | L25-V89 HydrophobicContact CD1-CB 4.39Å; L25-V89 HydrophobicContact CD1-CG2 3.29Å; L25-V89 HydrophobicContact CD2-CB 4.33Å; L25-V89 HydrophobicContact CD2-CG2 3.78Å; L25-V89 HydrophobicContact CG-CB 4.34Å; L25-V89 HydrophobicContact CG-CG2 3.69Å; R26-V89 PolarHBondContact O-N 3.34Å; L60-V89 HydrophobicContact CD2-CG1 3.48Å; L60-V89 VanDerWaalsContact CD2-CG1 3.48Å; V61-V89 WeakPolarHBondContact O-CA 3.35Å; L62-V89 HydrophobicContact CD2-CG2 3.44Å; L62-V89 VanDerWaalsContact CD2-CG2 3.44Å |
| 90 | I | 69.3 | Low | 51.4 | Low | 68 Ų | 68 | 102.6 Ų | 102.6 | 35% | 0.349 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 128.7 | 172.7 | -56.4 | 176.9 | 0 | 0 | 0 | 107.4 | Q59 V61 L63 | Q59-I90 VanDerWaalsContact O-O 3.11Å; V61-I90 PolarHBondContact N-O 2.89Å; V61-I90 VanDerWaalsContact N-O 3.16Å; V61-I90 PolarHBondContact O-N 3.34Å; L63-I90 HydrophobicContact CD1-CB 4.43Å; L63-I90 HydrophobicContact CD1-CD1 3.51Å; L63-I90 HydrophobicContact CD1-CG1 3.72Å; L63-I90 HydrophobicContact CD2-CD1 4.31Å |
| 91 | R | 68.5 | Low | 50.2 | Low | 126 Ų | 126 | 99.4 Ų | 99.4 | 48% | 0.475 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 116 | 171.7 | -67.7 | -179.2 | 178.2 | 170.1 | -8.2 | 108 | V55 Q59 | V55-R91 HydrophobicContact CG1-CG 4.28Å; V55-R91 VanDerWaalsContact CG2-NE 3.29Å; Q59-R91 WeakPolarHBondContact O-CA 3.17Å |
| 92 | R | 63.6 | Low | 49.3 | Very low | 141 Ų | 141 | 96.7 Ų | 96.7 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -81.6 | 137.6 | 169.5 | -64.1 | -161.6 | -156.9 | 116.2 | -5 | 110.3 | Q59 V61 | Q59-R92 WeakPolarHBondContact CG-O 3.38Å; Q59-R92 PolarHBondContact O-N 2.62Å; V61-R92 HydrophobicContact CG2-CG 4.05Å; V61-R92 VanDerWaalsContact CG2-NE 3.33Å |
| 93 | P | 45.9 | Very low | 48.6 | Very low | 121 Ų | 121 | 95.2 Ų | 95.2 | 79% | 0.786 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.3 | 160.6 | -14.5 | 27.6 | 0 | 0 | 0 | 108.9 | ||
| 94 | E | 44.2 | Very low | 48.4 | Very low | 127 Ų | 127 | 98.5 Ų | 98.5 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 134.7 | -175.8 | -142.8 | -176.8 | 143.4 | 0 | 0 | 111.2 | Q59 S96 | Q59-E94 PolarHBondContact NE2-OE2 3.45Å; E94-S96 PolarHBondContact O-N 2.87Å |
| 95 | P | 41.4 | Very low | 47.1 | Very low | 106 Ų | 106 | 101.7 Ų | 101.7 | 69% | 0.688 | 58% | 0.584 | S | S | * | * | trans | -73.3 | 113.9 | 159.5 | 28.8 | -28.2 | 0 | 0 | 0 | 107.6 | S97 | P95-S97 VanDerWaalsContact C-N 3.35Å; P95-S97 PolarHBondContact O-N 2.84Å | ||
| 96 | S | 31.9 | Very low | 45.5 | Very low | 125 Ų | 125 | 106.9 Ų | 106.9 | 87% | 0.874 | 62% | 0.621 | S | S | * | * | trans | -56.6 | 96.4 | 170.7 | -79.1 | 0 | 0 | 0 | 0 | 109.9 | E94 A98 | E94-S96 PolarHBondContact O-N 2.87Å; S96-A98 PolarHBondContact O-N 3.37Å | ||
| 97 | S | 36.8 | Very low | 44 | Very low | 107 Ų | 107 | 113.2 Ų | 113.2 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | trans | -79.1 | 112 | 165.1 | -85.8 | 0 | 0 | 0 | 0 | 108.4 | P95 R99 | P95-S97 VanDerWaalsContact C-N 3.35Å; P95-S97 PolarHBondContact O-N 2.84Å; S97-R99 PolarHBondContact O-N 3.11Å | ||
| 98 | A | 32.2 | Very low | 43.3 | Very low | 88 Ų | 88 | 118.2 Ų | 118.2 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -49.3 | 126.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S96 T100 | S96-A98 PolarHBondContact O-N 3.37Å; A98-T100 PolarHBondContact O-N 3.34Å | ||
| 99 | R | 33.6 | Very low | 41.7 | Very low | 247 Ų | 247 | 122.6 Ų | 122.6 | 93% | 0.932 | 70% | 0.702 | S | S | * | * | trans | -68.1 | 119.4 | 169.6 | -69.8 | 179.2 | -121.6 | -161.5 | -1.7 | 108.1 | S97 | S97-R99 PolarHBondContact O-N 3.11Š| ||
| 100 | T | 28.5 | Very low | 39.8 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -120.2 | 106.3 | 161.6 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | A98 | A98-T100 PolarHBondContact O-N 3.34Š| ||
| 101 | S | 32 | Very low | 38 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -138.8 | 124.4 | 146.4 | 61.2 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 102 | S | 31.1 | Very low | 35.8 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | cis | -178 | 135.2 | 39.6 | 41.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 103 | D | 31.6 | Very low | 34.3 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | 51.6 | 168.9 | 139.2 | -107.3 | -50.4 | 0 | 0 | 0 | 122.6 | ||||
| 104 | P | 52.8 | Low | 33.3 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -117.5 | 168.7 | -112.9 | 41.8 | -27.3 | 0 | 0 | 0 | 116.2 | |||||
| 105 | V | 28.3 | Very low | 32.4 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | 155.7 | 129.5 | 135 | 76.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 106 | S | 29 | Very low | 31.9 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 26 | 141.5 | 153.1 | -48.9 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 107 | E | 29.4 | Very low | 32.2 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -43.3 | -169.3 | 166.3 | -60.7 | -173.2 | 91.5 | 0 | 0 | 119.8 | ||||
| 108 | P | 50.6 | Low | 32 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | cis | -131.5 | -178.2 | -49.9 | 32.5 | -13.6 | 0 | 0 | 0 | 113.5 | ||||
| 109 | V | 26.3 | Very low | 32 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | 129.1 | 128.5 | 151.4 | 163.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 110 | G | 27.9 | Very low | 32.1 | Very low | 72 Ų | 72 | 135.4 Ų | 135.4 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 114.8 | 107.5 | 132.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 111 | S | 31.5 | Very low | 32.5 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -64.4 | 147.4 | 170.4 | -58.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 112 | E | 23.5 | Very low | 32.4 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | -175 | 157.5 | 119.2 | -147.9 | 162.5 | 91.8 | 0 | 0 | 112.2 | |||||
| 113 | L | 31.3 | Very low | 32.4 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 141.7 | -164.8 | -68.5 | 131.4 | 0 | 0 | 0 | 117.3 | ||||
| 114 | K | 25 | Very low | 32.5 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | 172.4 | 146.9 | 117.5 | -117.1 | 178.3 | 173.8 | 177.2 | 0 | 114.2 | |||||
| 115 | A | 24.8 | Very low | 32 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 94.3 | 132.7 | 154 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 116 | V | 32.8 | Very low | 32.4 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -92.6 | 170.6 | -177.4 | 171.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 117 | P | 36.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | cis | -121.5 | 179.6 | -41.8 | 35.4 | -17.2 | 0 | 0 | 0 | 112.9 | ||||
| 118 | D | 32.5 | Very low | 33.8 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | -40.5 | 141.4 | 170.6 | -149.2 | -98.1 | 0 | 0 | 0 | 117.8 | ||||
| 119 | P | 32.4 | Very low | 33.5 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -118.8 | 126.5 | 148.1 | 32.9 | -22 | 0 | 0 | 0 | 113.2 | ||||
| 120 | E | 35.5 | Very low | 34.6 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | -40.4 | 147.6 | 166.7 | -102.5 | 170.9 | 72.1 | 0 | 0 | 116.8 | N122 | E120-N122 PolarHBondContact O-N 2.98Š| ||
| 121 | P | 37.2 | Very low | 35.5 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -87.2 | 98.6 | 162.6 | 32.9 | -28.9 | 0 | 0 | 0 | 112.6 | ||||
| 122 | N | 29.7 | Very low | 36.4 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 31.1 | 100.1 | 128.4 | -147.6 | 22.7 | 0 | 0 | 0 | 118.8 | E120 | E120-N122 PolarHBondContact O-N 2.98Š| |||
| 123 | Q | 32.5 | Very low | 37.5 | Very low | 189 Ų | 189 | 134 Ų | 134 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -90.6 | 135.6 | 160.3 | -61.5 | -174.6 | 7.6 | 0 | 0 | 110.2 | ||||
| 124 | T | 32.7 | Very low | 38.1 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -119.4 | 153.4 | 165.6 | 8.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 125 | P | 43.3 | Very low | 39.2 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -111.7 | 156.9 | -138.8 | 40.1 | -34.6 | 0 | 0 | 0 | 115 | ||||
| 126 | T | 35.4 | Very low | 40.6 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | trans | -146.4 | 158.9 | 156.7 | 33.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 127 | P | 47.8 | Very low | 41.3 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -87.2 | 124.1 | -134.3 | 33.5 | -34.1 | 0 | 0 | 0 | 112.6 | ||||
| 128 | T | 40 | Very low | 41.7 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -140.9 | 141.3 | 168.5 | -44.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 129 | S | 44.5 | Very low | 42.5 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | -40 | 137.7 | -173.1 | -51.1 | 0 | 0 | 0 | 0 | 114.1 | L131 | S129-L131 PolarHBondContact O-N 3.35Š| ||
| 130 | P | 49.1 | Very low | 43.1 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 22.4 | -161.7 | 34.5 | -37.8 | 0 | 0 | 0 | 115 | ||
| 131 | L | 48 | Very low | 43.7 | Very low | 144 Ų | 144 | 123 Ų | 123 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -8.9 | 176.4 | -124.7 | 158 | 0 | 0 | 0 | 113 | S129 | S129-L131 PolarHBondContact O-N 3.35Š|
| 132 | C | 50.4 | Low | 44.3 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -110.7 | 1.6 | -177.1 | -77.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 133 | S | 46 | Very low | 45.2 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -108.8 | 63.5 | 171.4 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 134 | A | 43.5 | Very low | 46.1 | Very low | 67 Ų | 67 | 119.4 Ų | 119.4 | 55% | 0.554 | 74% | 0.738 | S | S | * | * | trans | -123.2 | 86.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | G136 | A134-G136 PolarHBondContact O-N 2.76Š| ||
| 135 | E | 48.4 | Very low | 47 | Very low | 191 Ų | 191 | 116.3 Ų | 116.3 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 43.5 | 165.4 | -68 | 172.8 | 81.5 | 0 | 0 | 111.7 | ||
| 136 | G | 53.8 | Low | 47.5 | Very low | 53 Ų | 53 | 119.8 Ų | 119.8 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141.7 | 14.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | A134 D138 | A134-G136 PolarHBondContact O-N 2.76Å; G136-D138 PolarHBondContact O-N 2.76Å |
| 137 | L | 48.3 | Very low | 48.4 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 67% | 0.665 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -81.4 | 3.6 | -178.1 | -110.8 | 155.3 | 0 | 0 | 0 | 114.3 | S139 L140 | L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 2.97Å; L137-L140 HydrophobicContact CD2-CD1 3.32Å; L137-L140 HydrophobicContact CD2-CG 4.02Å |
| 138 | D | 44.5 | Very low | 48.7 | Very low | 163 Ų | 163 | 114.6 Ų | 114.6 | 87% | 0.872 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -81.6 | -0.2 | 172.7 | -150.8 | -108.7 | 0 | 0 | 0 | 113 | G136 | G136-D138 PolarHBondContact O-N 2.76Š|
| 139 | S | 49 | Very low | 49.6 | Very low | 88 Ų | 88 | 114.4 Ų | 114.4 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -127.5 | 37.9 | -173.7 | -75.7 | 0 | 0 | 0 | 0 | 114.6 | L137 G141 | L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 2.97Å; S139-G141 PolarHBondContact O-N 3.12Å |
| 140 | L | 46.2 | Very low | 50.3 | Low | 140 Ų | 140 | 114 Ų | 114 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 31.3 | 173.1 | -93.3 | 173.5 | 0 | 0 | 0 | 114.6 | L137 | L137-L140 HydrophobicContact CD2-CD1 3.32Å; L137-L140 HydrophobicContact CD2-CG 4.02Å |
| 141 | G | 46.7 | Very low | 51 | Low | 84 Ų | 84 | 112.3 Ų | 112.3 | 87% | 0.866 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -2 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | S139 | S139-G141 PolarHBondContact O-N 3.12Š|
| 142 | S | 50.5 | Low | 51.6 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 56% | 0.559 | 65% | 0.647 | S | S | * | * | trans | -126.4 | 129.6 | -170.7 | -162.2 | 0 | 0 | 0 | 0 | 114 | N144 S145 | S142-N144 PolarHBondContact O-N 3.28Å; S142-S145 PolarHBondContact O-N 3.2Å | ||
| 143 | E | 48.2 | Very low | 52.5 | Low | 166 Ų | 166 | 106.9 Ų | 106.9 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -17.2 | -176.5 | -162.1 | 159 | 84.4 | 0 | 0 | 114.5 | ||
| 144 | N | 52.4 | Low | 53.1 | Low | 131 Ų | 131 | 107.9 Ų | 107.9 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -19.9 | -178.9 | -110.2 | 65.3 | 0 | 0 | 0 | 114.9 | S142 | S142-N144 PolarHBondContact O-N 3.28Š|
| 145 | S | 51.3 | Low | 54 | Low | 61 Ų | 61 | 108.1 Ų | 108.1 | 43% | 0.427 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -84.7 | -14.1 | -175.6 | -58.4 | 0 | 0 | 0 | 0 | 114.3 | S142 S147 S148 F149 | S142-S145 PolarHBondContact O-N 3.2Å; S145-S147 VanDerWaalsContact C-N 3.3Å; S145-S148 PolarHBondContact O-N 3.35Å; S145-F149 PolarHBondContact O-N 2.73Å |
| 146 | R | 53.4 | Low | 54.6 | Low | 188 Ų | 188 | 104.4 Ų | 104.4 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67 | -35 | 169.9 | -73.2 | -175.7 | 171.3 | 115.2 | 0.3 | 111.7 | L150 | R146-L150 PolarHBondContact O-N 3.44Å |
| 147 | S | 53.8 | Low | 54.7 | Low | 73 Ų | 73 | 104.1 Ų | 104.1 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.3 | -44.8 | 175.2 | -176 | 0 | 0 | 0 | 0 | 110.6 | S145 F149 L150 T151 | S145-S147 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 3.49Å; S147-L150 PolarHBondContact O-N 3.2Å; S147-T151 WeakPolarHBondContact O-CB 3.43Å; S147-T151 PolarHBondContact O-N 3.08Å; S147-T151 PolarHBondContact O-OG1 2.78Å |
| 148 | S | 54.1 | Low | 54.7 | Low | 81 Ų | 81 | 101.8 Ų | 101.8 | 57% | 0.566 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.9 | -35.4 | 177 | -70.3 | 0 | 0 | 0 | 0 | 114.2 | S145 A152 | S145-S148 PolarHBondContact O-N 3.35Å; S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.22Å; S148-A152 PolarHBondContact O-N 3.34Å |
| 149 | F | 59.7 | Low | 55.4 | Low | 124 Ų | 124 | 98 Ų | 98 | 54% | 0.544 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.9 | -45.1 | 173.6 | 176.2 | -101.8 | 0 | 0 | 0 | 111.8 | S145 S147 A152 L153 | S145-F149 PolarHBondContact O-N 2.73Å; S147-F149 PolarHBondContact O-N 3.49Å; F149-A152 PolarHBondContact O-N 2.69Å; F149-L153 WeakPolarHBondContact O-CB 2.94Å; F149-L153 PolarHBondContact O-N 2.97Å |
| 150 | L | 59.4 | Low | 55.4 | Low | 90 Ų | 90 | 99 Ų | 99 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.3 | -34.7 | 176.5 | -72.8 | -178.3 | 0 | 0 | 0 | 112.6 | R146 S147 L153 W154 | R146-L150 PolarHBondContact O-N 3.44Å; S147-L150 PolarHBondContact O-N 3.2Å; L150-L153 HydrophobicContact CD2-CD2 4.26Å; L150-L153 PolarHBondContact O-N 3.37Å; L150-W154 VanDerWaalsContact O-CB 3.28Å; L150-W154 WeakPolarHBondContact O-CB 3.01Å; L150-W154 PolarHBondContact O-N 2.89Å |
| 151 | T | 63.6 | Low | 55.6 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 173.6 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | S147 W154 S155 | S147-T151 WeakPolarHBondContact O-CB 3.43Å; S147-T151 PolarHBondContact O-N 3.08Å; S147-T151 PolarHBondContact O-OG1 2.78Å; T151-W154 PolarHBondContact O-N 2.77Å; T151-S155 PolarHBondContact O-N 3.48Å; T151-S155 PolarHBondContact O-OG 3.47Å |
| 152 | A | 61 | Low | 56.1 | Low | 64 Ų | 64 | 97.2 Ų | 97.2 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | S148 F149 Q156 | S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.22Å; S148-A152 PolarHBondContact O-N 3.34Å; F149-A152 PolarHBondContact O-N 2.69Å; A152-Q156 PolarHBondContact O-N 3.5Å |
| 153 | L | 67.7 | Low | 56.4 | Low | 88 Ų | 88 | 97.1 Ų | 97.1 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.2 | -172.4 | 66.5 | 0 | 0 | 0 | 112.1 | F149 L150 M157 | F149-L153 WeakPolarHBondContact O-CB 2.94Å; F149-L153 PolarHBondContact O-N 2.97Å; L150-L153 HydrophobicContact CD2-CD2 4.26Å; L150-L153 PolarHBondContact O-N 3.37Å; L153-M157 WeakPolarHBondContact O-CB 3.47Å; L153-M157 PolarHBondContact O-N 3.21Å |
| 154 | W | 59.7 | Low | 56.4 | Low | 129 Ų | 129 | 92.5 Ų | 92.5 | 49% | 0.489 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.8 | -43.5 | 178.2 | -169.7 | -86.2 | 0 | 0 | 0 | 112.5 | L150 T151 Q156 M157 E158 L181 | L150-W154 VanDerWaalsContact O-CB 3.28Å; L150-W154 WeakPolarHBondContact O-CB 3.01Å; L150-W154 PolarHBondContact O-N 2.89Å; T151-W154 PolarHBondContact O-N 2.77Å; W154-Q156 VanDerWaalsContact C-N 3.28Å; W154-Q156 PolarHBondContact O-N 2.87Å; W154-M157 WeakPolarHBondContact O-CB 3.13Å; W154-M157 PolarHBondContact O-N 2.97Å; W154-M157 VanDerWaalsContact O-N 3.08Å; W154-E158 PolarHBondContact O-N 3.05Å; W154-L181 HydrophobicContact CH2-CD2 4.49Å; W154-L181 HydrophobicContact CZ3-CD2 4.49Å |
| 155 | S | 63.3 | Low | 56.4 | Low | 72 Ų | 72 | 90.6 Ų | 90.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -32.3 | 176.1 | -73.4 | 0 | 0 | 0 | 0 | 113 | T151 M157 | T151-S155 PolarHBondContact O-N 3.48Å; T151-S155 PolarHBondContact O-OG 3.47Å; S155-M157 VanDerWaalsContact C-N 3.32Å |
| 156 | Q | 60.4 | Low | 56.4 | Low | 113 Ų | 113 | 94.5 Ų | 94.5 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -33.5 | 173.4 | -176.9 | 62.5 | 75.9 | 0 | 0 | 112 | A152 W154 | A152-Q156 PolarHBondContact O-N 3.5Å; W154-Q156 VanDerWaalsContact C-N 3.28Å; W154-Q156 PolarHBondContact O-N 2.87Å |
| 157 | M | 54.6 | Low | 56.9 | Low | 47 Ų | 47 | 90 Ų | 90 | 23% | 0.232 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -77.6 | -39 | 179.9 | -171.4 | -177.6 | -67 | 0 | 0 | 112.4 | L153 W154 S155 S159 E160 L161 V171 | L153-M157 WeakPolarHBondContact O-CB 3.47Å; L153-M157 PolarHBondContact O-N 3.21Å; W154-M157 WeakPolarHBondContact O-CB 3.13Å; W154-M157 PolarHBondContact O-N 2.97Å; W154-M157 VanDerWaalsContact O-N 3.08Å; S155-M157 VanDerWaalsContact C-N 3.32Å; M157-S159 PolarHBondContact O-N 3.44Å; M157-E160 CarbonylContact O-C 3.54Å; M157-E160 PolarHBondContact O-N 3.08Å; M157-L161 HydrophobicContact CG-CD1 4.29Å; M157-L161 WeakPolarHBondContact O-CB 3.46Å; M157-L161 PolarHBondContact O-N 2.83Å; M157-V171 HydrophobicContact CE-CB 4.34Å; M157-V171 HydrophobicContact CE-CG1 3.4Å; M157-V171 HydrophobicContact CE-CG2 4.07Å; M157-V171 HydrophobicContact SD-CG1 3.69Å |
| 158 | E | 48.6 | Very low | 57 | Low | 78 Ų | 78 | 89.8 Ų | 89.8 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -29.6 | 177.1 | -172 | 163.1 | 84 | 0 | 0 | 112.5 | W154 E160 | W154-E158 PolarHBondContact O-N 3.05Å; E158-E160 VanDerWaalsContact C-N 3.33Å |
| 159 | S | 59 | Low | 57 | Low | 82 Ų | 82 | 90.7 Ų | 90.7 | 57% | 0.573 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.5 | 175 | -170.8 | 0 | 0 | 0 | 0 | 113.9 | M157 | M157-S159 PolarHBondContact O-N 3.44Š|
| 160 | E | 48.7 | Very low | 57.1 | Low | 110 Ų | 110 | 94.8 Ų | 94.8 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -3 | -176.6 | -72.1 | -78.7 | 92.9 | 0 | 0 | 112 | M157 E158 S163 | M157-E160 CarbonylContact O-C 3.54Å; M157-E160 PolarHBondContact O-N 3.08Å; E158-E160 VanDerWaalsContact C-N 3.33Å; E160-S163 WeakPolarHBondContact O-CB 3.28Å; E160-S163 PolarHBondContact O-N 3.13Å; E160-S163 VanDerWaalsContact O-N 3.15Å |
| 161 | L | 51.9 | Low | 57.1 | Low | 68 Ų | 68 | 91.9 Ų | 91.9 | 36% | 0.356 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -34.7 | -179 | -149.5 | 70.6 | 0 | 0 | 0 | 115.3 | M157 S163 M168 | M157-L161 HydrophobicContact CG-CD1 4.29Å; M157-L161 WeakPolarHBondContact O-CB 3.46Å; M157-L161 PolarHBondContact O-N 2.83Å; L161-S163 PolarHBondContact O-N 2.98Å; L161-M168 HydrophobicContact CD1-CB 4.38Å; L161-M168 HydrophobicContact CD1-CE 3.59Å; L161-M168 HydrophobicContact CD1-CG 4.2Å; L161-M168 HydrophobicContact CD2-CE 3.85Å; L161-M168 HydrophobicContact CG-CE 3.48Å; L161-M168 VanDerWaalsContact CG-CE 3.48Å |
| 162 | P | 56.6 | Low | 56.9 | Low | 118 Ų | 118 | 91 Ų | 91 | 77% | 0.766 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9.8 | 174 | 29.7 | -33.2 | 0 | 0 | 0 | 112.9 | ||
| 163 | S | 57 | Low | 56.6 | Low | 79 Ų | 79 | 91.2 Ų | 91.2 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -24.4 | -171.1 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | E160 L161 | E160-S163 WeakPolarHBondContact O-CB 3.28Å; E160-S163 PolarHBondContact O-N 3.13Å; E160-S163 VanDerWaalsContact O-N 3.15Å; L161-S163 PolarHBondContact O-N 2.98Å |
| 164 | D | 47.2 | Very low | 56.1 | Low | 68 Ų | 68 | 88.7 Ų | 88.7 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -150.4 | 101.5 | -174.1 | -156.7 | -66.7 | 0 | 0 | 0 | 113.9 | E166 L167 M168 | D164-E166 VanDerWaalsContact C-N 3.33Å; D164-E166 WeakPolarHBondContact OD1-CB 3.44Å; D164-E166 PolarHBondContact OD1-N 3.04Å; D164-E166 VanDerWaalsContact OD1-N 3.11Å; D164-L167 HydrophobicContact CB-CB 3.87Å; D164-L167 HydrophobicContact CB-CD1 4.48Å; D164-L167 WeakPolarHBondContact OD1-CB 3.21Å; D164-L167 PolarHBondContact OD1-N 3.27Å; D164-M168 PolarHBondContact O-N 3.46Å | ||
| 165 | P | 52.3 | Low | 55.7 | Low | 91 Ų | 91 | 86.8 Ų | 86.8 | 59% | 0.591 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.3 | -25 | 177.9 | 28.1 | -33.2 | 0 | 0 | 0 | 113.1 | M168 H169 | P165-M168 WeakPolarHBondContact O-CB 3.12Å; P165-M168 PolarHBondContact O-N 3.18Å; P165-H169 PolarHBondContact O-CD2 2.77Å; P165-H169 PolarHBondContact O-N 3.26Å |
| 166 | E | 52.9 | Low | 55.6 | Low | 144 Ų | 144 | 89.8 Ų | 89.8 | 67% | 0.673 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -74.7 | -34.8 | 178.9 | -80.1 | -76.4 | 110.5 | 0 | 0 | 111.6 | D164 M168 H169 R170 | D164-E166 VanDerWaalsContact C-N 3.33Å; D164-E166 WeakPolarHBondContact OD1-CB 3.44Å; D164-E166 PolarHBondContact OD1-N 3.04Å; D164-E166 VanDerWaalsContact OD1-N 3.11Å; E166-M168 VanDerWaalsContact C-N 3.34Å; E166-H169 PolarHBondContact O-N 3.18Å; E166-R170 WeakPolarHBondContact O-CB 3.13Å; E166-R170 PolarHBondContact O-N 3.4Å |
| 167 | L | 63.3 | Low | 55.7 | Low | 92 Ų | 92 | 85.8 Ų | 85.8 | 48% | 0.482 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 174.7 | -143.2 | 166.3 | 0 | 0 | 0 | 110.6 | D164 R170 V171 | D164-L167 HydrophobicContact CB-CB 3.87Å; D164-L167 HydrophobicContact CB-CD1 4.48Å; D164-L167 WeakPolarHBondContact OD1-CB 3.21Å; D164-L167 PolarHBondContact OD1-N 3.27Å; L167-R170 PolarHBondContact O-N 2.77Å; L167-V171 HydrophobicContact CD2-CG2 3.67Å; L167-V171 VanDerWaalsContact O-CB 3.29Å; L167-V171 WeakPolarHBondContact O-CB 3.39Å; L167-V171 WeakPolarHBondContact O-CG2 3.34Å; L167-V171 PolarHBondContact O-N 3.26Å |
| 168 | M | 55 | Low | 55.7 | Low | 69 Ų | 69 | 86.3 Ų | 86.3 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 171 | -171.2 | -166 | -73 | 0 | 0 | 111.1 | L161 D164 P165 E166 R170 V171 L172 | L161-M168 HydrophobicContact CD1-CB 4.38Å; L161-M168 HydrophobicContact CD1-CE 3.59Å; L161-M168 HydrophobicContact CD1-CG 4.2Å; L161-M168 HydrophobicContact CD2-CE 3.85Å; L161-M168 HydrophobicContact CG-CE 3.48Å; L161-M168 VanDerWaalsContact CG-CE 3.48Å; D164-M168 PolarHBondContact O-N 3.46Å; P165-M168 WeakPolarHBondContact O-CB 3.12Å; P165-M168 PolarHBondContact O-N 3.18Å; E166-M168 VanDerWaalsContact C-N 3.34Å; M168-R170 PolarHBondContact O-N 3.3Å; M168-V171 PolarHBondContact O-N 2.77Å; M168-L172 HydrophobicContact CG-CD1 3.75Å; M168-L172 HydrophobicContact CG-CG 4.27Å; M168-L172 WeakPolarHBondContact O-CB 3.44Å; M168-L172 VanDerWaalsContact O-CG 3.28Å; M168-L172 WeakPolarHBondContact O-CG 3.1Å; M168-L172 PolarHBondContact O-N 3.21Å; M168-L172 HydrophobicContact SD-CD1 4.22Å |
| 169 | H | 55.4 | Low | 55.8 | Low | 101 Ų | 101 | 87.3 Ų | 87.3 | 47% | 0.468 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.6 | -85.4 | -119.9 | 0 | 0 | 0 | 112.1 | P165 E166 V171 A173 | P165-H169 PolarHBondContact O-CD2 2.77Å; P165-H169 PolarHBondContact O-N 3.26Å; E166-H169 PolarHBondContact O-N 3.18Å; H169-V171 VanDerWaalsContact C-N 3.33Å; H169-V171 PolarHBondContact O-N 2.72Å; H169-A173 WeakPolarHBondContact O-CB 3.32Å; H169-A173 PolarHBondContact O-N 2.91Å |
| 170 | R | 61.2 | Low | 55.8 | Low | 210 Ų | 210 | 85.3 Ų | 85.3 | 79% | 0.792 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.5 | -38.6 | 177.9 | -166.6 | 82.4 | 176 | -157.1 | 1.2 | 112.6 | E166 L167 M168 S174 | E166-R170 WeakPolarHBondContact O-CB 3.13Å; E166-R170 PolarHBondContact O-N 3.4Å; L167-R170 PolarHBondContact O-N 2.77Å; M168-R170 PolarHBondContact O-N 3.3Å; R170-S174 PolarHBondContact O-N 3.09Å |
| 171 | V | 60.2 | Low | 56 | Low | 28 Ų | 28 | 83.7 Ų | 83.7 | 17% | 0.17 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -77.5 | -43.9 | -179 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | M157 L167 M168 H169 A173 S174 V177 | M157-V171 HydrophobicContact CE-CB 4.34Å; M157-V171 HydrophobicContact CE-CG1 3.4Å; M157-V171 HydrophobicContact CE-CG2 4.07Å; M157-V171 HydrophobicContact SD-CG1 3.69Å; L167-V171 HydrophobicContact CD2-CG2 3.67Å; L167-V171 VanDerWaalsContact O-CB 3.29Å; L167-V171 WeakPolarHBondContact O-CB 3.39Å; L167-V171 WeakPolarHBondContact O-CG2 3.34Å; L167-V171 PolarHBondContact O-N 3.26Å; M168-V171 PolarHBondContact O-N 2.77Å; H169-V171 VanDerWaalsContact C-N 3.33Å; H169-V171 PolarHBondContact O-N 2.72Å; V171-A173 VanDerWaalsContact C-N 3.31Å; V171-A173 PolarHBondContact O-N 3.47Å; V171-S174 WeakPolarHBondContact O-CB 3.44Å; V171-S174 PolarHBondContact O-N 3Å; V171-V177 HydrophobicContact CG1-CG1 4.4Å; V171-V177 HydrophobicContact CG1-CG2 3.87Å; V171-V177 WeakPolarHBondContact O-CB 3.31Å; V171-V177 VanDerWaalsContact O-CG2 3.29Å; V171-V177 WeakPolarHBondContact O-CG2 3.48Å |
| 172 | L | 59.1 | Low | 55.9 | Low | 60 Ų | 60 | 84.9 Ų | 84.9 | 31% | 0.314 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 175.8 | -70.4 | 174.1 | 0 | 0 | 0 | 112 | M168 S174 V177 Q178 L181 | M168-L172 HydrophobicContact CG-CD1 3.75Å; M168-L172 HydrophobicContact CG-CG 4.27Å; M168-L172 WeakPolarHBondContact O-CB 3.44Å; M168-L172 VanDerWaalsContact O-CG 3.28Å; M168-L172 WeakPolarHBondContact O-CG 3.1Å; M168-L172 PolarHBondContact O-N 3.21Å; M168-L172 HydrophobicContact SD-CD1 4.22Å; L172-S174 PolarHBondContact O-N 2.74Å; L172-V177 HydrophobicContact CD2-CG1 4.38Å; L172-Q178 WeakPolarHBondContact O-CG 3.41Å; L172-L181 HydrophobicContact CD2-CD1 3.73Å |
| 173 | A | 54.5 | Low | 55.6 | Low | 68 Ų | 68 | 84.3 Ų | 84.3 | 56% | 0.562 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -4.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H169 V171 P175 Q178 | H169-A173 WeakPolarHBondContact O-CB 3.32Å; H169-A173 PolarHBondContact O-N 2.91Å; V171-A173 VanDerWaalsContact C-N 3.31Å; V171-A173 PolarHBondContact O-N 3.47Å; A173-P175 WeakPolarHBondContact O-CD 3.39Å; A173-Q178 PolarHBondContact O-NE2 2.99Å |
| 174 | S | 56.3 | Low | 55.1 | Low | 35 Ų | 35 | 84 Ų | 84 | 25% | 0.245 | 47% | 0.466 | C | S | . | . | trans | -73.9 | 124.5 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | R170 V171 L172 L176 V177 Q178 | R170-S174 PolarHBondContact O-N 3.09Å; V171-S174 WeakPolarHBondContact O-CB 3.44Å; V171-S174 PolarHBondContact O-N 3Å; L172-S174 PolarHBondContact O-N 2.74Å; S174-L176 PolarHBondContact O-N 3.33Å; S174-V177 PolarHBondContact O-N 3.42Å; S174-Q178 PolarHBondContact O-N 3.18Å; S174-Q178 PolarHBondContact O-NE2 3.36Å; S174-Q178 VanDerWaalsContact O-NE2 3.15Å | ||
| 175 | P | 52.6 | Low | 55.1 | Low | 89 Ų | 89 | 85.4 Ų | 85.4 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.6 | -23.1 | 178.6 | -25.7 | 35.1 | 0 | 0 | 0 | 113.4 | A173 N179 | A173-P175 WeakPolarHBondContact O-CD 3.39Å; P175-N179 VanDerWaalsContact O-CB 3.26Å; P175-N179 WeakPolarHBondContact O-CB 3.37Å; P175-N179 VanDerWaalsContact O-CG 3.26Å; P175-N179 PolarHBondContact O-N 2.88Å |
| 176 | L | 60.5 | Low | 54.2 | Low | 136 Ų | 136 | 85.5 Ų | 85.5 | 71% | 0.712 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -74 | -35.9 | 175.8 | -64.4 | 171.5 | 0 | 0 | 0 | 112.2 | S174 A180 | S174-L176 PolarHBondContact O-N 3.33Å; L176-A180 VanDerWaalsContact O-CB 3.32Å; L176-A180 WeakPolarHBondContact O-CB 3.36Å; L176-A180 PolarHBondContact O-N 3.4Å |
| 177 | V | 63.8 | Low | 53.9 | Low | 29 Ų | 29 | 83.9 Ų | 83.9 | 18% | 0.176 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -79.6 | -37.5 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 110 | V171 L172 S174 N179 A180 L181 | V171-V177 HydrophobicContact CG1-CG1 4.4Å; V171-V177 HydrophobicContact CG1-CG2 3.87Å; V171-V177 WeakPolarHBondContact O-CB 3.31Å; V171-V177 VanDerWaalsContact O-CG2 3.29Å; V171-V177 WeakPolarHBondContact O-CG2 3.48Å; L172-V177 HydrophobicContact CD2-CG1 4.38Å; S174-V177 PolarHBondContact O-N 3.42Å; V177-N179 VanDerWaalsContact C-N 3.32Å; V177-N179 PolarHBondContact O-N 3.19Å; V177-A180 CarbonylContact O-C 3.57Å; V177-A180 PolarHBondContact O-N 2.84Å; V177-A180 VanDerWaalsContact O-N 3.16Å; V177-L181 HydrophobicContact CG1-CD1 3.6Å; V177-L181 HydrophobicContact CG1-CG 4.01Å; V177-L181 VanDerWaalsContact O-CB 3.26Å; V177-L181 WeakPolarHBondContact O-CB 3.24Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.49Å; V177-L181 PolarHBondContact O-N 2.89Å |
| 178 | Q | 54.2 | Low | 53.4 | Low | 57 Ų | 57 | 85.9 Ų | 85.9 | 27% | 0.266 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 169.4 | -70.9 | 164.6 | 81.9 | 0 | 0 | 110.9 | L172 A173 S174 C182 | L172-Q178 WeakPolarHBondContact O-CG 3.41Å; A173-Q178 PolarHBondContact O-NE2 2.99Å; S174-Q178 PolarHBondContact O-N 3.18Å; S174-Q178 PolarHBondContact O-NE2 3.36Å; S174-Q178 VanDerWaalsContact O-NE2 3.15Å; Q178-C182 WeakPolarHBondContact O-CA 3.33Å; Q178-C182 WeakPolarHBondContact O-CB 3.38Å; Q178-C182 PolarHBondContact O-N 3.32Å; Q178-C182 PolarHBondContact O-SG 2.89Å |
| 179 | N | 50.1 | Low | 53 | Low | 99 Ų | 99 | 88.4 Ų | 88.4 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 171.5 | -79.3 | -3.7 | 0 | 0 | 0 | 110.7 | P175 V177 L181 T183 | P175-N179 VanDerWaalsContact O-CB 3.26Å; P175-N179 WeakPolarHBondContact O-CB 3.37Å; P175-N179 VanDerWaalsContact O-CG 3.26Å; P175-N179 PolarHBondContact O-N 2.88Å; V177-N179 VanDerWaalsContact C-N 3.32Å; V177-N179 PolarHBondContact O-N 3.19Å; N179-L181 VanDerWaalsContact C-N 3.35Å; N179-L181 PolarHBondContact O-N 3.31Å; N179-T183 HydrophobicContact CB-CG2 4.31Å; N179-T183 WeakPolarHBondContact O-CA 3.15Å; N179-T183 WeakPolarHBondContact O-CB 2.97Å; N179-T183 WeakPolarHBondContact O-CG2 3.46Å; N179-T183 PolarHBondContact O-N 3.16Å; N179-T183 PolarHBondContact O-OG1 3.2Å |
| 180 | A | 58.1 | Low | 52.2 | Low | 41 Ų | 41 | 87.1 Ų | 87.1 | 34% | 0.339 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L176 V177 S184 | L176-A180 VanDerWaalsContact O-CB 3.32Å; L176-A180 WeakPolarHBondContact O-CB 3.36Å; L176-A180 PolarHBondContact O-N 3.4Å; V177-A180 CarbonylContact O-C 3.57Å; V177-A180 PolarHBondContact O-N 2.84Å; V177-A180 VanDerWaalsContact O-N 3.16Å; A180-S184 WeakPolarHBondContact O-CB 3.44Å; A180-S184 PolarHBondContact O-N 3.45Å |
| 181 | L | 54.8 | Low | 51.4 | Low | 76 Ų | 76 | 85.1 Ų | 85.1 | 40% | 0.398 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -81.6 | -45.8 | 180 | -67.6 | 174 | 0 | 0 | 0 | 111.9 | W154 L172 V177 N179 | W154-L181 HydrophobicContact CH2-CD2 4.49Å; W154-L181 HydrophobicContact CZ3-CD2 4.49Å; L172-L181 HydrophobicContact CD2-CD1 3.73Å; V177-L181 HydrophobicContact CG1-CD1 3.6Å; V177-L181 HydrophobicContact CG1-CG 4.01Å; V177-L181 VanDerWaalsContact O-CB 3.26Å; V177-L181 WeakPolarHBondContact O-CB 3.24Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.49Å; V177-L181 PolarHBondContact O-N 2.89Å; N179-L181 VanDerWaalsContact C-N 3.35Å; N179-L181 PolarHBondContact O-N 3.31Å |
| 182 | C | 48.2 | Very low | 50.9 | Low | 93 Ų | 93 | 90.2 Ų | 90.2 | 63% | 0.628 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -80.2 | -27.1 | -179.3 | -59.1 | 0 | 0 | 0 | 0 | 113.2 | Q178 | Q178-C182 WeakPolarHBondContact O-CA 3.33Å; Q178-C182 WeakPolarHBondContact O-CB 3.38Å; Q178-C182 PolarHBondContact O-N 3.32Å; Q178-C182 PolarHBondContact O-SG 2.89Å |
| 183 | T | 50.8 | Low | 50.4 | Low | 106 Ų | 106 | 90.7 Ų | 90.7 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -85.4 | -15 | 174.1 | 72 | 0 | 0 | 0 | 0 | 113.1 | N179 S185 | N179-T183 HydrophobicContact CB-CG2 4.31Å; N179-T183 WeakPolarHBondContact O-CA 3.15Å; N179-T183 WeakPolarHBondContact O-CB 2.97Å; N179-T183 WeakPolarHBondContact O-CG2 3.46Å; N179-T183 PolarHBondContact O-N 3.16Å; N179-T183 PolarHBondContact O-OG1 3.2Å; T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 2.92Å |
| 184 | S | 46 | Very low | 50.2 | Low | 73 Ų | 73 | 92.7 Ų | 92.7 | 51% | 0.51 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.2 | 20.6 | 174.4 | -169.5 | 0 | 0 | 0 | 0 | 113.5 | A180 P186 | A180-S184 WeakPolarHBondContact O-CB 3.44Å; A180-S184 PolarHBondContact O-N 3.45Å; S184-P186 WeakPolarHBondContact O-CD 3.44Å |
| 185 | S | 47.6 | Very low | 49.5 | Very low | 97 Ų | 97 | 96.2 Ų | 96.2 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | trans | -98.9 | 81.2 | 171.6 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | T183 | T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 2.92Å | ||
| 186 | P | 34.2 | Very low | 49.2 | Very low | 93 Ų | 93 | 94.4 Ų | 94.4 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -123 | 158.6 | 139.1 | 35.4 | -24.7 | 0 | 0 | 0 | 110.1 | S184 L188 | S184-P186 WeakPolarHBondContact O-CD 3.44Å; P186-L188 PolarHBondContact O-N 3.25Å; P186-L188 VanDerWaalsContact O-N 3.11Å |
| 187 | P | 46.2 | Very low | 48.9 | Very low | 110 Ų | 110 | 92.2 Ų | 92.2 | 71% | 0.714 | 56% | 0.563 | S | S | * | * | trans | -61.7 | 120.4 | -153.4 | 27 | -34.5 | 0 | 0 | 0 | 111.1 | T189 | P187-T189 PolarHBondContact O-N 2.83Š| ||
| 188 | L | 52.3 | Low | 48.3 | Very low | 134 Ų | 134 | 96.4 Ų | 96.4 | 70% | 0.702 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 30.2 | 177.4 | -67.9 | 170 | 0 | 0 | 0 | 112.9 | P186 | P186-L188 PolarHBondContact O-N 3.25Å; P186-L188 VanDerWaalsContact O-N 3.11Å |
| 189 | T | 46.2 | Very low | 48.5 | Very low | 121 Ų | 121 | 97.1 Ų | 97.1 | 74% | 0.742 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -16.2 | -174.9 | -28.1 | 0 | 0 | 0 | 0 | 112.2 | P187 | P187-T189 PolarHBondContact O-N 2.83Š|
| 190 | G | 39.9 | Very low | 48.9 | Very low | 74 Ų | 74 | 96.7 Ų | 96.7 | 76% | 0.763 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -120 | -18.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 191 | Q | 44.4 | Very low | 48.8 | Very low | 169 Ų | 169 | 101.2 Ų | 101.2 | 79% | 0.79 | 59% | 0.594 | S | S | * | * | trans | -117.1 | 30.9 | -175.8 | -107.2 | -98.8 | 79.8 | 0 | 0 | 112.1 | S193 | Q191-S193 PolarHBondContact O-N 3.45Š| ||
| 192 | R | 50.2 | Low | 49 | Very low | 135 Ų | 135 | 102 Ų | 102 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | trans | -76.6 | 61.5 | 168.8 | -154.4 | -178.2 | -171.7 | 99.6 | 1.3 | 109.7 | ||||
| 193 | S | 48.2 | Very low | 49.3 | Very low | 70 Ų | 70 | 98.9 Ų | 98.9 | 49% | 0.49 | 58% | 0.575 | S | S | . | * | trans | -64.2 | 148.1 | 159.3 | -79.5 | 0 | 0 | 0 | 0 | 108.3 | Q191 S195 | Q191-S193 PolarHBondContact O-N 3.45Å; S193-S195 PolarHBondContact O-N 2.97Å; S193-S195 PolarHBondContact O-OG 3.18Å | ||
| 194 | P | 49.8 | Very low | 49.6 | Very low | 110 Ų | 110 | 99.7 Ų | 99.7 | 71% | 0.714 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -76.6 | 48.4 | -163.3 | 34.4 | -38.7 | 0 | 0 | 0 | 113 | ||
| 195 | S | 42.5 | Very low | 50 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | trans | -87 | -13.9 | -172 | 48.5 | 0 | 0 | 0 | 0 | 114.1 | S193 | S193-S195 PolarHBondContact O-N 2.97Å; S193-S195 PolarHBondContact O-OG 3.18Å | ||
| 196 | N | 45.2 | Very low | 49.9 | Very low | 51 Ų | 51 | 99.8 Ų | 99.8 | 27% | 0.273 | 57% | 0.571 | S | S | . | * | trans | -128 | 99.7 | 176.5 | -160.4 | -49.6 | 0 | 0 | 0 | 112 | Q198 I199 Q200 | N196-Q198 VanDerWaalsContact C-N 3.28Å; N196-Q198 PolarHBondContact O-N 3.32Å; N196-Q198 WeakPolarHBondContact OD1-CB 3.4Å; N196-Q198 PolarHBondContact OD1-N 3.15Å; N196-I199 HydrophobicContact CB-CB 4.27Å; N196-I199 HydrophobicContact CB-CD1 4.06Å; N196-I199 HydrophobicContact CB-CG1 4.28Å; N196-I199 PolarHBondContact OD1-N 3.47Å; N196-Q200 PolarHBondContact O-N 3.16Å | ||
| 197 | P | 55.2 | Low | 51.1 | Low | 91 Ų | 91 | 100.1 Ų | 100.1 | 59% | 0.591 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.8 | -22.9 | 178.7 | 28.5 | -33.4 | 0 | 0 | 0 | 112.6 | Q200 Q201 | P197-Q200 WeakPolarHBondContact O-CB 3.47Å; P197-Q200 PolarHBondContact O-N 3.11Å; P197-Q201 PolarHBondContact O-N 3.38Å |
| 198 | Q | 50.4 | Low | 51.6 | Low | 117 Ų | 117 | 102.4 Ų | 102.4 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.1 | -38.5 | -177.4 | -148.3 | 148.1 | -55.5 | 0 | 0 | 111.6 | N196 Q200 Q201 L202 | N196-Q198 VanDerWaalsContact C-N 3.28Å; N196-Q198 PolarHBondContact O-N 3.32Å; N196-Q198 WeakPolarHBondContact OD1-CB 3.4Å; N196-Q198 PolarHBondContact OD1-N 3.15Å; Q198-Q200 VanDerWaalsContact C-N 3.33Å; Q198-Q201 WeakPolarHBondContact O-CB 3.35Å; Q198-Q201 PolarHBondContact O-N 2.69Å; Q198-L202 WeakPolarHBondContact O-CG 3.22Å; Q198-L202 PolarHBondContact O-N 3.43Å |
| 199 | I | 58.1 | Low | 51.8 | Low | 71 Ų | 71 | 98.3 Ų | 98.3 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.6 | -34.6 | 171.2 | -65.9 | 174.8 | 0 | 0 | 0 | 110.6 | N196 Q201 L202 L203 | N196-I199 HydrophobicContact CB-CB 4.27Å; N196-I199 HydrophobicContact CB-CD1 4.06Å; N196-I199 HydrophobicContact CB-CG1 4.28Å; N196-I199 PolarHBondContact OD1-N 3.47Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-L202 PolarHBondContact O-N 3.32Å; I199-L203 HydrophobicContact CG2-CD1 3.64Å; I199-L203 WeakPolarHBondContact O-CD1 3.47Å; I199-L203 PolarHBondContact O-N 3.1Å |
| 200 | Q | 57.7 | Low | 52.2 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 170.9 | -90.1 | 173.3 | 77.6 | 0 | 0 | 112.1 | N196 P197 Q198 T204 | N196-Q200 PolarHBondContact O-N 3.16Å; P197-Q200 WeakPolarHBondContact O-CB 3.47Å; P197-Q200 PolarHBondContact O-N 3.11Å; Q198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-T204 WeakPolarHBondContact O-CB 3.28Å; Q200-T204 PolarHBondContact O-N 2.98Å; Q200-T204 PolarHBondContact O-OG1 3.03Å |
| 201 | Q | 57.6 | Low | 53 | Low | 137 Ų | 137 | 99 Ų | 99 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 176.3 | -155.5 | 108.9 | 2.1 | 0 | 0 | 111.6 | P197 Q198 I199 T204 T205 | P197-Q201 PolarHBondContact O-N 3.38Å; Q198-Q201 WeakPolarHBondContact O-CB 3.35Å; Q198-Q201 PolarHBondContact O-N 2.69Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; Q201-T204 PolarHBondContact O-N 3.23Å; Q201-T205 VanDerWaalsContact O-CB 3.24Å; Q201-T205 WeakPolarHBondContact O-CB 3.45Å; Q201-T205 PolarHBondContact O-N 3.42Å; Q201-T205 PolarHBondContact O-OG1 3.17Å |
| 202 | L | 57.7 | Low | 53.5 | Low | 93 Ų | 93 | 95.1 Ų | 95.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 178.6 | -73.8 | 164.4 | 0 | 0 | 0 | 112.6 | Q198 I199 T204 T205 N206 | Q198-L202 WeakPolarHBondContact O-CG 3.22Å; Q198-L202 PolarHBondContact O-N 3.43Å; I199-L202 PolarHBondContact O-N 3.32Å; L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.45Å; L202-T205 PolarHBondContact O-N 3.47Å; L202-N206 PolarHBondContact O-N 2.89Å |
| 203 | L | 55.8 | Low | 53.9 | Low | 26 Ų | 26 | 93.1 Ų | 93.1 | 14% | 0.136 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.9 | -36 | 172.8 | -93.5 | 77.2 | 0 | 0 | 0 | 112.2 | I199 T205 E210 L213 | I199-L203 HydrophobicContact CG2-CD1 3.64Å; I199-L203 WeakPolarHBondContact O-CD1 3.47Å; I199-L203 PolarHBondContact O-N 3.1Å; L203-T205 VanDerWaalsContact C-N 3.33Å; L203-E210 HydrophobicContact CD2-CB 4.45Å; L203-E210 HydrophobicContact CD2-CG 4.09Å; L203-E210 HydrophobicContact CG-CB 4.24Å; L203-E210 HydrophobicContact CG-CG 4.43Å; L203-L213 HydrophobicContact CD1-CD1 3.88Å |
| 204 | T | 55.6 | Low | 54.2 | Low | 124 Ų | 124 | 95.5 Ų | 95.5 | 76% | 0.761 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.5 | -26.6 | 178.9 | -45.8 | 0 | 0 | 0 | 0 | 112 | Q200 Q201 L202 | Q200-T204 WeakPolarHBondContact O-CB 3.28Å; Q200-T204 PolarHBondContact O-N 2.98Å; Q200-T204 PolarHBondContact O-OG1 3.03Å; Q201-T204 PolarHBondContact O-N 3.23Å; L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.45Å |
| 205 | T | 55.6 | Low | 54.4 | Low | 96 Ų | 96 | 94 Ų | 94 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -94.5 | -26.4 | -175.6 | -52 | 0 | 0 | 0 | 0 | 112.6 | Q201 L202 L203 | Q201-T205 VanDerWaalsContact O-CB 3.24Å; Q201-T205 WeakPolarHBondContact O-CB 3.45Å; Q201-T205 PolarHBondContact O-N 3.42Å; Q201-T205 PolarHBondContact O-OG1 3.17Å; L202-T205 PolarHBondContact O-N 3.47Å; L203-T205 VanDerWaalsContact C-N 3.33Å |
| 206 | N | 45.9 | Very low | 54.8 | Low | 75 Ų | 75 | 93.2 Ų | 93.2 | 40% | 0.401 | 50% | 0.5 | S | S | . | . | trans | -136.2 | 97.4 | -176.7 | -109.1 | -61.7 | 0 | 0 | 0 | 111.7 | L202 E208 V209 | L202-N206 PolarHBondContact O-N 2.89Å; N206-E208 PolarHBondContact O-N 3.43Å; N206-V209 HydrophobicContact CB-CB 4.31Å; N206-V209 HydrophobicContact CB-CG2 3.86Å; N206-V209 PolarHBondContact O-N 2.99Å; N206-V209 VanDerWaalsContact O-N 3.11Å | ||
| 207 | P | 59.5 | Low | 55.2 | Low | 101 Ų | 101 | 95.9 Ų | 95.9 | 66% | 0.656 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.6 | -19.7 | 179.5 | 26.7 | -33.6 | 0 | 0 | 0 | 113.3 | E210 D211 | P207-E210 PolarHBondContact O-N 3.07Å; P207-D211 PolarHBondContact O-N 2.81Å |
| 208 | E | 55.3 | Low | 55.3 | Low | 157 Ų | 157 | 93.7 Ų | 93.7 | 73% | 0.734 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.6 | -30.7 | 172.1 | -82.5 | -172.2 | 99.9 | 0 | 0 | 112.9 | N206 E210 D211 M212 | N206-E208 PolarHBondContact O-N 3.43Å; E208-E210 VanDerWaalsContact C-N 3.3Å; E208-E210 PolarHBondContact O-N 3.36Å; E208-D211 PolarHBondContact O-N 3.08Å; E208-M212 VanDerWaalsContact O-CB 3.26Å; E208-M212 WeakPolarHBondContact O-CB 3.42Å; E208-M212 PolarHBondContact O-N 3.26Å |
| 209 | V | 56.3 | Low | 55.5 | Low | 48 Ų | 48 | 90.8 Ų | 90.8 | 29% | 0.291 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.5 | -30.5 | 176.8 | 175 | 0 | 0 | 0 | 0 | 110.6 | N206 L213 | N206-V209 HydrophobicContact CB-CB 4.31Å; N206-V209 HydrophobicContact CB-CG2 3.86Å; N206-V209 PolarHBondContact O-N 2.99Å; N206-V209 VanDerWaalsContact O-N 3.11Å; V209-L213 HydrophobicContact CG1-CD1 3.82Å; V209-L213 HydrophobicContact CG1-CG 4.33Å; V209-L213 VanDerWaalsContact O-CB 3.25Å; V209-L213 WeakPolarHBondContact O-CB 3.07Å; V209-L213 WeakPolarHBondContact O-CD1 3.4Å; V209-L213 WeakPolarHBondContact O-CG 3.11Å; V209-L213 PolarHBondContact O-N 3.06Å |
| 210 | E | 55.4 | Low | 55.1 | Low | 110 Ų | 110 | 93.5 Ų | 93.5 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 172.1 | -170.3 | 172.9 | 122.2 | 0 | 0 | 111.3 | L203 P207 E208 L213 N214 | L203-E210 HydrophobicContact CD2-CB 4.45Å; L203-E210 HydrophobicContact CD2-CG 4.09Å; L203-E210 HydrophobicContact CG-CB 4.24Å; L203-E210 HydrophobicContact CG-CG 4.43Å; P207-E210 PolarHBondContact O-N 3.07Å; E208-E210 VanDerWaalsContact C-N 3.3Å; E208-E210 PolarHBondContact O-N 3.36Å; E210-L213 PolarHBondContact O-N 3.04Å; E210-N214 WeakPolarHBondContact O-CB 3.02Å; E210-N214 PolarHBondContact O-N 2.9Å; E210-N214 VanDerWaalsContact O-N 3.15Å |
| 211 | D | 56.1 | Low | 54.8 | Low | 99 Ų | 99 | 96.1 Ų | 96.1 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 178.3 | -157.9 | -89.8 | 0 | 0 | 0 | 112.1 | P207 E208 N214 N215 | P207-D211 PolarHBondContact O-N 2.81Å; E208-D211 PolarHBondContact O-N 3.08Å; D211-N214 CarbonylContact O-C 3.56Å; D211-N214 WeakPolarHBondContact O-CB 3.16Å; D211-N214 PolarHBondContact O-N 3.48Å; D211-N214 VanDerWaalsContact O-N 3.09Å; D211-N215 WeakPolarHBondContact O-CB 3.17Å; D211-N215 PolarHBondContact O-N 3.01Å; D211-N215 PolarHBondContact OD1-ND2 2.94Å |
| 212 | M | 55.4 | Low | 54.5 | Low | 88 Ų | 88 | 92.8 Ų | 92.8 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 177.6 | -154.2 | 176.1 | 78.9 | 0 | 0 | 112.4 | E208 N214 N215 A218 I219 | E208-M212 VanDerWaalsContact O-CB 3.26Å; E208-M212 WeakPolarHBondContact O-CB 3.42Å; E208-M212 PolarHBondContact O-N 3.26Å; M212-N214 PolarHBondContact O-N 3.5Å; M212-N215 VanDerWaalsContact O-O 3.09Å; M212-A218 HydrophobicContact CG-CB 3.92Å; M212-I219 HydrophobicContact CG-CG1 4.08Å; M212-I219 WeakPolarHBondContact O-CD1 3.46Å; M212-I219 WeakPolarHBondContact O-CG1 3.36Å |
| 213 | L | 58.4 | Low | 54.2 | Low | 94 Ų | 94 | 92.4 Ų | 92.4 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71 | -19.8 | 171 | -76 | 166.8 | 0 | 0 | 0 | 113 | L203 V209 E210 I219 | L203-L213 HydrophobicContact CD1-CD1 3.88Å; V209-L213 HydrophobicContact CG1-CD1 3.82Å; V209-L213 HydrophobicContact CG1-CG 4.33Å; V209-L213 VanDerWaalsContact O-CB 3.25Å; V209-L213 WeakPolarHBondContact O-CB 3.07Å; V209-L213 WeakPolarHBondContact O-CD1 3.4Å; V209-L213 WeakPolarHBondContact O-CG 3.11Å; V209-L213 PolarHBondContact O-N 3.06Å; E210-L213 PolarHBondContact O-N 3.04Å; L213-I219 HydrophobicContact CD2-CD1 4.49Å |
| 214 | N | 55.5 | Low | 54 | Low | 119 Ų | 119 | 92.4 Ų | 92.4 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -93 | -22.9 | 179.6 | -145.5 | 22.3 | 0 | 0 | 0 | 112.5 | E210 D211 M212 P216 | E210-N214 WeakPolarHBondContact O-CB 3.02Å; E210-N214 PolarHBondContact O-N 2.9Å; E210-N214 VanDerWaalsContact O-N 3.15Å; D211-N214 CarbonylContact O-C 3.56Å; D211-N214 WeakPolarHBondContact O-CB 3.16Å; D211-N214 PolarHBondContact O-N 3.48Å; D211-N214 VanDerWaalsContact O-N 3.09Å; M212-N214 PolarHBondContact O-N 3.5Å; N214-P216 WeakPolarHBondContact O-CD 3.31Å |
| 215 | N | 52.3 | Low | 53.7 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | trans | -108.9 | 95.5 | 176.6 | -78.1 | -52 | 0 | 0 | 0 | 110.7 | D211 M212 D217 A218 | D211-N215 WeakPolarHBondContact O-CB 3.17Å; D211-N215 PolarHBondContact O-N 3.01Å; D211-N215 PolarHBondContact OD1-ND2 2.94Å; M212-N215 VanDerWaalsContact O-O 3.09Å; N215-D217 PolarHBondContact O-N 3.44Å; N215-A218 HydrophobicContact CB-CB 4.31Å; N215-A218 WeakPolarHBondContact O-CB 3.43Å; N215-A218 PolarHBondContact O-N 3.13Å | ||
| 216 | P | 51.2 | Low | 53.4 | Low | 91 Ų | 91 | 90.9 Ų | 90.9 | 59% | 0.591 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.1 | -26.6 | -175.8 | 25.1 | -34 | 0 | 0 | 0 | 113.6 | N214 A218 I219 E220 | N214-P216 WeakPolarHBondContact O-CD 3.31Å; P216-A218 VanDerWaalsContact C-N 3.33Å; P216-A218 PolarHBondContact O-N 3.34Å; P216-I219 PolarHBondContact O-N 2.85Å; P216-E220 PolarHBondContact O-N 3.21Å; P216-E220 VanDerWaalsContact O-N 3.14Å |
| 217 | D | 54 | Low | 53.4 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -32 | 174.8 | -101.2 | -91.1 | 0 | 0 | 0 | 113.2 | N215 I219 E220 Q221 | N215-D217 PolarHBondContact O-N 3.44Å; D217-I219 PolarHBondContact O-N 2.79Å; D217-E220 PolarHBondContact O-N 3.26Å; D217-Q221 PolarHBondContact O-N 2.84Å |
| 218 | A | 56.5 | Low | 52.5 | Low | 44 Ų | 44 | 98.4 Ų | 98.4 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.9 | -20.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M212 N215 P216 P222 | M212-A218 HydrophobicContact CG-CB 3.92Å; N215-A218 HydrophobicContact CB-CB 4.31Å; N215-A218 WeakPolarHBondContact O-CB 3.43Å; N215-A218 PolarHBondContact O-N 3.13Å; P216-A218 VanDerWaalsContact C-N 3.33Å; P216-A218 PolarHBondContact O-N 3.34Å; A218-P222 WeakPolarHBondContact O-CD 3.44Å; A218-P222 WeakPolarHBondContact O-CG 3.35Å |
| 219 | I | 54.7 | Low | 52.3 | Low | 56 Ų | 56 | 95.2 Ų | 95.2 | 29% | 0.287 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -87.4 | -32.6 | 173.7 | -61.6 | 174.7 | 0 | 0 | 0 | 110.2 | M212 L213 P216 D217 P222 L223 | M212-I219 HydrophobicContact CG-CG1 4.08Å; M212-I219 WeakPolarHBondContact O-CD1 3.46Å; M212-I219 WeakPolarHBondContact O-CG1 3.36Å; L213-I219 HydrophobicContact CD2-CD1 4.49Å; P216-I219 PolarHBondContact O-N 2.85Å; D217-I219 PolarHBondContact O-N 2.79Å; I219-P222 WeakPolarHBondContact O-CD 3.43Å; I219-P222 WeakPolarHBondContact O-CG 3.32Å; I219-L223 HydrophobicContact CG2-CD1 3.44Å; I219-L223 VanDerWaalsContact CG2-CD1 3.44Å; I219-L223 WeakPolarHBondContact O-CB 3.45Å; I219-L223 WeakPolarHBondContact O-CD1 3.27Å; I219-L223 PolarHBondContact O-N 2.88Å |
| 220 | E | 50.2 | Low | 51.8 | Low | 128 Ų | 128 | 101.5 Ų | 101.5 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.6 | -34.9 | 176.9 | -84.1 | -160.6 | 107.2 | 0 | 0 | 113.9 | P216 D217 G224 | P216-E220 PolarHBondContact O-N 3.21Å; P216-E220 VanDerWaalsContact O-N 3.14Å; D217-E220 PolarHBondContact O-N 3.26Å; E220-G224 WeakPolarHBondContact O-CA 3.47Å; E220-G224 PolarHBondContact O-N 3.43Å |
| 221 | Q | 51.6 | Low | 51.6 | Low | 146 Ų | 146 | 102.2 Ų | 102.2 | 68% | 0.682 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -45.7 | 178.9 | -64.5 | -159.4 | 11.7 | 0 | 0 | 114.4 | D217 L225 | D217-Q221 PolarHBondContact O-N 2.84Å; Q221-L225 PolarHBondContact O-N 3.4Å |
| 222 | P | 50.9 | Low | 51.4 | Low | 66 Ų | 66 | 100.4 Ų | 100.4 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.3 | -34.4 | 173.8 | 25.3 | -31.6 | 0 | 0 | 0 | 113 | A218 I219 G224 L225 I226 | A218-P222 WeakPolarHBondContact O-CD 3.44Å; A218-P222 WeakPolarHBondContact O-CG 3.35Å; I219-P222 WeakPolarHBondContact O-CD 3.43Å; I219-P222 WeakPolarHBondContact O-CG 3.32Å; P222-G224 VanDerWaalsContact C-N 3.33Å; P222-L225 PolarHBondContact O-N 2.89Å; P222-I226 WeakPolarHBondContact O-CG1 3.48Å; P222-I226 PolarHBondContact O-N 2.96Å |
| 223 | L | 52.4 | Low | 51.2 | Low | 85 Ų | 85 | 102.2 Ų | 102.2 | 45% | 0.445 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.1 | -29.6 | 173.5 | -97 | 134.2 | 0 | 0 | 0 | 112.8 | I219 I226 R227 | I219-L223 HydrophobicContact CG2-CD1 3.44Å; I219-L223 VanDerWaalsContact CG2-CD1 3.44Å; I219-L223 WeakPolarHBondContact O-CB 3.45Å; I219-L223 WeakPolarHBondContact O-CD1 3.27Å; I219-L223 PolarHBondContact O-N 2.88Å; L223-I226 PolarHBondContact O-N 2.7Å; L223-R227 WeakPolarHBondContact O-CB 3.34Å; L223-R227 PolarHBondContact O-N 3.18Å |
| 224 | G | 50.4 | Low | 50.7 | Low | 26 Ų | 26 | 103 Ų | 103 | 27% | 0.268 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E220 P222 I226 R227 E228 | E220-G224 WeakPolarHBondContact O-CA 3.47Å; E220-G224 PolarHBondContact O-N 3.43Å; P222-G224 VanDerWaalsContact C-N 3.33Å; G224-I226 VanDerWaalsContact C-N 3.28Å; G224-I226 PolarHBondContact O-N 3.39Å; G224-R227 CarbonylContact O-C 3.56Å; G224-R227 PolarHBondContact O-N 2.79Å; G224-R227 VanDerWaalsContact O-N 3.1Å; G224-E228 PolarHBondContact O-N 3.22Å |
| 225 | L | 49 | Very low | 50.6 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -28 | 173.8 | -166.9 | 63.7 | 0 | 0 | 0 | 112.9 | Q221 P222 M231 | Q221-L225 PolarHBondContact O-N 3.4Å; P222-L225 PolarHBondContact O-N 2.89Å; L225-M231 HydrophobicContact CD1-CB 4.48Å |
| 226 | I | 49.5 | Very low | 50.7 | Low | 99 Ų | 99 | 103.3 Ų | 103.3 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77.7 | -29.8 | 171.7 | -65 | 164.2 | 0 | 0 | 0 | 111.3 | P222 L223 G224 | P222-I226 WeakPolarHBondContact O-CG1 3.48Å; P222-I226 PolarHBondContact O-N 2.96Å; L223-I226 PolarHBondContact O-N 2.7Å; G224-I226 VanDerWaalsContact C-N 3.28Å; G224-I226 PolarHBondContact O-N 3.39Å |
| 227 | R | 46.9 | Very low | 50.6 | Low | 190 Ų | 190 | 105.8 Ų | 105.8 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -82.9 | -24.3 | -178.2 | -166.4 | 175.3 | -170.8 | 171.1 | 4.7 | 113.1 | L223 G224 P229 | L223-R227 WeakPolarHBondContact O-CB 3.34Å; L223-R227 PolarHBondContact O-N 3.18Å; G224-R227 CarbonylContact O-C 3.56Å; G224-R227 PolarHBondContact O-N 2.79Å; G224-R227 VanDerWaalsContact O-N 3.1Å; R227-P229 WeakPolarHBondContact O-CD 3.43Å |
| 228 | E | 39.5 | Very low | 50.3 | Low | 144 Ų | 144 | 107.3 Ų | 107.3 | 67% | 0.673 | 54% | 0.541 | S | S | * | . | trans | -104 | 89.3 | 173.3 | -72.1 | -169.7 | 98 | 0 | 0 | 111 | G224 E230 | G224-E228 PolarHBondContact O-N 3.22Å; E228-E230 PolarHBondContact O-N 3.31Å | ||
| 229 | P | 52.8 | Low | 50 | Low | 89 Ų | 89 | 111.8 Ų | 111.8 | 58% | 0.578 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.5 | -2.1 | -178.1 | 29 | -36.6 | 0 | 0 | 0 | 114.6 | R227 T232 | R227-P229 WeakPolarHBondContact O-CD 3.43Å; P229-T232 PolarHBondContact O-OG1 2.87Å |
| 230 | E | 45.3 | Very low | 49.6 | Very low | 180 Ų | 180 | 115.6 Ų | 115.6 | 84% | 0.841 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -90.4 | -5.1 | -172.8 | -62.4 | -134.9 | 115.8 | 0 | 0 | 114.6 | E228 | E228-E230 PolarHBondContact O-N 3.31Å |
| 231 | M | 50.5 | Low | 49.7 | Very low | 125 Ų | 125 | 112.8 Ų | 112.8 | 62% | 0.616 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -105 | -25.3 | 175.2 | -161.9 | -179.8 | -71.5 | 0 | 0 | 113.4 | L225 V235 | L225-M231 HydrophobicContact CD1-CB 4.48Å; M231-V235 PolarHBondContact O-N 3.28Å |
| 232 | T | 52.4 | Low | 49.3 | Very low | 62 Ų | 62 | 109.6 Ų | 109.6 | 38% | 0.38 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.4 | -38.9 | 174.9 | 33.4 | 0 | 0 | 0 | 0 | 111.8 | P229 V235 I236 | P229-T232 PolarHBondContact O-OG1 2.87Å; T232-V235 PolarHBondContact O-N 2.88Å; T232-I236 VanDerWaalsContact O-CD1 3.26Å; T232-I236 WeakPolarHBondContact O-CD1 3.32Å; T232-I236 WeakPolarHBondContact O-CG1 3.32Å; T232-I236 PolarHBondContact O-N 3.2Å |
| 233 | E | 51.7 | Low | 49 | Very low | 125 Ų | 125 | 113.5 Ų | 113.5 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.6 | -29.7 | 179.1 | -154.6 | 131.2 | 113.4 | 0 | 0 | 112.6 | Q237 | E233-Q237 WeakPolarHBondContact O-CB 3.38Å; E233-Q237 PolarHBondContact O-N 3.05Å |
| 234 | E | 47.5 | Very low | 48.6 | Very low | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.523 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73 | -34.2 | 174.3 | -161.3 | -173.6 | 118 | 0 | 0 | 112 | K238 | E234-K238 HydrophobicContact CG-CD 4.28Å; E234-K238 WeakPolarHBondContact O-CB 3.21Å; E234-K238 PolarHBondContact O-N 3.21Å; E234-K238 IonicContact OE1-NZ 2.89Å; E234-K238 PolarHBondContact OE1-NZ 3.19Å |
| 235 | V | 54.3 | Low | 48.2 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.8 | -41.9 | 172.4 | 157.5 | 0 | 0 | 0 | 0 | 111.2 | M231 T232 Q237 E239 | M231-V235 PolarHBondContact O-N 3.28Å; T232-V235 PolarHBondContact O-N 2.88Å; V235-Q237 PolarHBondContact O-N 2.69Å; V235-E239 PolarHBondContact O-N 3.43Å |
| 236 | I | 53.3 | Low | 47.7 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 60% | 0.6 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.6 | -34.4 | 178.7 | -61.8 | 158.8 | 0 | 0 | 0 | 111.3 | T232 | T232-I236 VanDerWaalsContact O-CD1 3.26Å; T232-I236 WeakPolarHBondContact O-CD1 3.32Å; T232-I236 WeakPolarHBondContact O-CG1 3.32Å; T232-I236 PolarHBondContact O-N 3.2Å |
| 237 | Q | 48.3 | Very low | 46.9 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 67% | 0.673 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.3 | -30.3 | 178.2 | -79.5 | -177.3 | 10 | 0 | 0 | 114.7 | E233 V235 | E233-Q237 WeakPolarHBondContact O-CB 3.38Å; E233-Q237 PolarHBondContact O-N 3.05Å; V235-Q237 PolarHBondContact O-N 2.69Å |
| 238 | K | 49.4 | Very low | 46.4 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 60% | 0.604 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.6 | -22.1 | 177.3 | -86.5 | 177.5 | 175.9 | 164 | 0 | 113.6 | E234 | E234-K238 HydrophobicContact CG-CD 4.28Å; E234-K238 WeakPolarHBondContact O-CB 3.21Å; E234-K238 PolarHBondContact O-N 3.21Å; E234-K238 IonicContact OE1-NZ 2.89Å; E234-K238 PolarHBondContact OE1-NZ 3.19Å |
| 239 | E | 49.8 | Very low | 46.3 | Very low | 138 Ų | 138 | 127 Ų | 127 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -77.4 | -30.6 | 179.5 | -144.8 | 163.6 | 123.4 | 0 | 0 | 112.6 | V235 | V235-E239 PolarHBondContact O-N 3.43Å |
| 240 | D | 46.7 | Very low | 45.8 | Very low | 137 Ų | 137 | 131 Ų | 131 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73 | -30 | -179.6 | -158.7 | -110.4 | 0 | 0 | 0 | 112.7 | A242 | D240-A242 PolarHBondContact O-N 3.24Å |
| 241 | G | 51.8 | Low | 45.3 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -10.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 242 | A | 43.4 | Very low | 44.8 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -3.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D240 | D240-A242 PolarHBondContact O-N 3.24Š|
| 243 | L | 44.2 | Very low | 44.4 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -98.3 | -5.6 | -179.8 | -65.2 | 177.7 | 0 | 0 | 0 | 114.5 | N245 | L243-N245 VanDerWaalsContact C-N 3.3Å; L243-N245 PolarHBondContact O-N 2.98Å |
| 244 | E | 44.1 | Very low | 44.1 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 22.9 | -179.5 | -157.7 | 166.5 | 110.6 | 0 | 0 | 114.4 | ||
| 245 | N | 42.4 | Very low | 44.2 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.1 | 45 | 177.8 | -113.7 | -39.3 | 0 | 0 | 0 | 117.5 | L243 | L243-N245 VanDerWaalsContact C-N 3.3Å; L243-N245 PolarHBondContact O-N 2.98Å |
| 246 | V | 37.7 | Very low | 44 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -148.1 | 127.6 | 155.3 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 247 | P | 33.9 | Very low | 43.6 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | trans | -79.5 | 155.6 | -168.8 | 32.5 | -35.1 | 0 | 0 | 0 | 114 | ||||
| 248 | M | 35.7 | Very low | 43.6 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 94% | 0.936 | 73% | 0.73 | S | S | * | * | trans | -21.5 | 121.6 | 167.7 | -85.7 | -159.8 | 150.3 | 0 | 0 | 116.3 | ||||
| 249 | V | 37.1 | Very low | 43.4 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -140.3 | 123.9 | 140.8 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 250 | Q | 41.5 | Very low | 43.5 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | -59.7 | 124.5 | 167.2 | 170.2 | 173.2 | -3 | 0 | 0 | 112 | ||||
| 251 | D | 35.5 | Very low | 43.3 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 157.2 | 131.4 | 132.8 | -114.3 | -92.4 | 0 | 0 | 0 | 112.4 | ||||
| 252 | N | 40.3 | Very low | 43.1 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | trans | 70.5 | 111.3 | 153 | -149.2 | -11.7 | 0 | 0 | 0 | 120.4 | A254 | N252-A254 VanDerWaalsContact C-N 3.34Å; N252-A254 PolarHBondContact O-N 3.46Å | ||
| 253 | P | 43.4 | Very low | 43 | Very low | 133 Ų | 133 | 130 Ų | 130 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 12.6 | -173.7 | 33.3 | -36.5 | 0 | 0 | 0 | 116.7 | ||
| 254 | A | 45.5 | Very low | 43 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 65% | 0.645 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N252 | N252-A254 VanDerWaalsContact C-N 3.34Å; N252-A254 PolarHBondContact O-N 3.46Å |
| 255 | N | 49.5 | Very low | 43 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -120.4 | -4.3 | -170.3 | -118.7 | 11.3 | 0 | 0 | 0 | 116.3 | ||
| 256 | T | 49.8 | Very low | 43.2 | Very low | 108 Ų | 108 | 123 Ų | 123 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -84 | -24.9 | 179 | -52.2 | 0 | 0 | 0 | 0 | 113 | L258 | T256-L258 VanDerWaalsContact C-N 3.34Å; T256-L258 PolarHBondContact O-N 3.46Å |
| 257 | A | 45.8 | Very low | 43.2 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.4 | -24.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 258 | L | 47.5 | Very low | 43.6 | Very low | 109 Ų | 109 | 129 Ų | 129 | 57% | 0.571 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -84.8 | -22.3 | 179.2 | -86.6 | -164.5 | 0 | 0 | 0 | 114.9 | T256 Q262 | T256-L258 VanDerWaalsContact C-N 3.34Å; T256-L258 PolarHBondContact O-N 3.46Å; L258-Q262 PolarHBondContact O-N 2.69Å |
| 259 | H | 46.4 | Very low | 44.1 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 65% | 0.648 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81.9 | -19 | -177.9 | -156.6 | -87.6 | 0 | 0 | 0 | 113.2 | T263 | H259-T263 PolarHBondContact O-OG1 3.26Å |
| 260 | V | 50.8 | Low | 44.5 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 56% | 0.558 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -83.9 | -39.6 | 176.4 | 180 | 0 | 0 | 0 | 0 | 111.5 | T263 | V260-T263 PolarHBondContact O-N 2.83Å |
| 261 | F | 43.4 | Very low | 44.3 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -69.9 | -34.6 | 175.7 | -85.8 | -80.7 | 0 | 0 | 0 | 113.2 | T263 | F261-T263 VanDerWaalsContact C-N 3.33Å; F261-T263 PolarHBondContact O-N 2.88Å |
| 262 | Q | 47 | Very low | 44.1 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75.1 | -15.6 | 176.6 | -98.6 | 167.3 | 8.2 | 0 | 0 | 115.1 | L258 | L258-Q262 PolarHBondContact O-N 2.69Å |
| 263 | T | 42.6 | Very low | 43.9 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 49% | 0.491 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -87.3 | -17.9 | -178.4 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | H259 V260 F261 | H259-T263 PolarHBondContact O-OG1 3.26Å; V260-T263 PolarHBondContact O-N 2.83Å; F261-T263 VanDerWaalsContact C-N 3.33Å; F261-T263 PolarHBondContact O-N 2.88Å |
| 264 | N | 44 | Very low | 43.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 65% | 0.647 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -87.1 | -23.2 | 177.7 | -71 | -28.8 | 0 | 0 | 0 | 113.6 | ||
| 265 | D | 44.3 | Very low | 42.6 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -14.7 | 174.9 | -82.2 | -74.2 | 0 | 0 | 0 | 114.4 | ||
| 266 | A | 44.7 | Very low | 41.6 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -1.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 267 | K | 39.6 | Very low | 40.6 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -114.9 | -3.2 | 177.3 | -110.8 | -174.7 | 171.6 | -170.5 | 0 | 115.4 | ||
| 268 | M | 40.8 | Very low | 39.7 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -107.2 | 26.3 | 174.1 | -154 | 179.5 | -71 | 0 | 0 | 112.5 | ||
| 269 | Q | 46.1 | Very low | 38.7 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -124.4 | 43.9 | 170.7 | -157.7 | 174 | 76.8 | 0 | 0 | 111.5 | ||
| 270 | Q | 45.5 | Very low | 37.5 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -146.3 | 55.5 | 165.5 | -156.6 | 170.6 | 103.5 | 0 | 0 | 111.4 | ||
| 271 | Q | 37.5 | Very low | 36.5 | Very low | 198 Ų | 198 | 150.1 Ų | 150.1 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -165.1 | 55.1 | 150.2 | -114.4 | 171.3 | -27.7 | 0 | 0 | 112 | ||||
| 272 | D | 32.3 | Very low | 36.1 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | trans | -87.5 | 120.8 | 142.6 | -174.3 | -93 | 0 | 0 | 0 | 106.4 | ||||
| 273 | I | 34.9 | Very low | 34.9 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | -162.9 | 99.1 | 136.7 | -81.9 | 137.8 | 0 | 0 | 0 | 106.4 | ||||
| 274 | K | 30.7 | Very low | 34 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | 25 | 132.3 | 134.9 | -58.7 | -177.2 | -179.9 | -179.1 | 0 | 119.9 | ||||
| 275 | Q | 30.6 | Very low | 32.9 | Very low | 166 Ų | 166 | 150 Ų | 150 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | 85.3 | 117.9 | 128.3 | -88.7 | 172.7 | -51.8 | 0 | 0 | 120.7 | |||||
| 276 | T | 28.7 | Very low | 31.9 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | 87.8 | 124.1 | 126.1 | -60.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 277 | Q | 29 | Very low | 30.8 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | 76.3 | 127.3 | 151.9 | -94.7 | 179.2 | 68 | 0 | 0 | 119.2 | ||||
| 278 | K | 27.9 | Very low | 30 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 82.8 | 104.1 | 128.5 | -155.4 | 169 | -176.3 | 176.8 | 0 | 116.2 | |||||
| 279 | T | 26.1 | Very low | 29.1 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 61% | 0.613 | 77% | 0.767 | S | S | * | * | 82.4 | 123 | 120.9 | -57.3 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 280 | M | 21.9 | Very low | 28.1 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | trans | 77.1 | 119.1 | 132.2 | -164.4 | 175.8 | -73.3 | 0 | 0 | 118.2 | ||||
| 281 | F | 29.1 | Very low | 27.2 | Very low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | -16.9 | 153 | 149.4 | -65.3 | -86.9 | 0 | 0 | 0 | 116.1 | ||||
| 282 | P | 34.5 | Very low | 26.7 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | -139 | 139.5 | 95.8 | 14 | 9.2 | 0 | 0 | 0 | 112.9 | |||||
| 283 | L | 22.3 | Very low | 26.3 | Very low | 129 Ų | 129 | 141 Ų | 141 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | 86.7 | 115.9 | 61.5 | -172.2 | 76.8 | 0 | 0 | 0 | 112.6 | T285 | L283-T285 HydrophobicContact CD1-CG2 3.82Å; L283-T285 HydrophobicContact CD2-CG2 4.08Å; L283-T285 HydrophobicContact CG-CG2 3.73Å | |||
| 284 | L | 23.2 | Very low | 26.4 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | -159.7 | 97.6 | 126.5 | -125 | 71.9 | 0 | 0 | 0 | 107 | |||||
| 285 | T | 22.1 | Very low | 26.1 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 57% | 0.571 | 77% | 0.769 | S | S | * | * | 67.8 | 140.4 | 91.8 | 82.5 | 0 | 0 | 0 | 0 | 112.4 | L283 | L283-T285 HydrophobicContact CD1-CG2 3.82Å; L283-T285 HydrophobicContact CD2-CG2 4.08Å; L283-T285 HydrophobicContact CG-CG2 3.73Å | |||
| 286 | T | 23.2 | Very low | 25.9 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -153.6 | 125.7 | 19.7 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 287 | S | 20.8 | Very low | 25.9 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | 69.7 | 129.2 | 96.6 | -149.2 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 288 | C | 22.8 | Very low | 25.9 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -69 | 163.7 | -179.8 | -48.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 289 | E | 21.9 | Very low | 26 | Very low | 191 Ų | 191 | 133.3 Ų | 133.3 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | -173 | 128.8 | 126.2 | -149.3 | 157.1 | 85.4 | 0 | 0 | 115.4 | |||||
| 290 | S | 24 | Very low | 26.3 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | 47.6 | 131.4 | 139.7 | -57.6 | 0 | 0 | 0 | 0 | 128.3 | ||||
| 291 | H | 27.4 | Very low | 26.5 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 82% | 0.819 | 79% | 0.793 | S | S | * | * | trans | 52.9 | 115.4 | 134.6 | -73.3 | -79.4 | 0 | 0 | 0 | 123.9 | ||||
| 292 | Q | 27.8 | Very low | 26.9 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | 153.9 | 136.8 | 126.3 | -88.1 | 175 | 37.6 | 0 | 0 | 112.4 | |||||
| 293 | G | 24.1 | Very low | 27 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -76 | 177.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 294 | P | 35.4 | Very low | 28.1 | Very low | 135 Ų | 135 | 129 Ų | 129 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | cis | -137.9 | 167.3 | 24.1 | 38.6 | -19.4 | 0 | 0 | 0 | 116.6 | ||||
| 295 | G | 25 | Very low | 28.8 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 98.8 | 121.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 296 | G | 27.5 | Very low | 29.5 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 106.9 | 95.3 | 136 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 297 | R | 27.9 | Very low | 29.6 | Very low | 233 Ų | 233 | 130.1 Ų | 130.1 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | 49.6 | 109.3 | 140.8 | -67.6 | 174.9 | 83 | -154.5 | 7.8 | 118.7 | ||||
| 298 | T | 28.9 | Very low | 30.1 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | 165.4 | 137.7 | 93 | 41.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 299 | S | 29.5 | Very low | 30.4 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | 67.8 | 115.4 | 154.2 | -46.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 300 | P | 33.2 | Very low | 30.8 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91 | 130.6 | 176.7 | 33.8 | -28.8 | 0 | 0 | 0 | 113.4 | ||
| 301 | T | 26.2 | Very low | 30.9 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 145.5 | 158.8 | -62 | 0 | 0 | 0 | 0 | 110 | ||
| 302 | S | 36.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 149 | 159.9 | -48.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 303 | P | 36.7 | Very low | 31.4 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 171.4 | 144 | 29.7 | -10.7 | 0 | 0 | 0 | 114.5 | ||||
| 304 | P | 46.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -98.5 | -175.9 | -172 | 35 | -21.7 | 0 | 0 | 0 | 113.6 | ||||
| 305 | S | 37.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -24.8 | 165.4 | 176.8 | -36 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 306 | P | 37.5 | Very low | 31.8 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | -153.7 | 152.9 | 99.9 | 37.7 | -18.4 | 0 | 0 | 0 | 118.3 | |||||
| 307 | D | 24.3 | Very low | 31.9 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 54.9 | 144.6 | 135.7 | -117.6 | -59.8 | 0 | 0 | 0 | 125.8 | ||||
| 308 | S | 32 | Very low | 32.3 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -91.2 | 155.7 | -175.2 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 309 | T | 28.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -141.7 | 135.9 | 147.3 | 34.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 310 | D | 29.6 | Very low | 33.9 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -74.5 | 146.7 | -174.2 | -167.8 | -80.6 | 0 | 0 | 0 | 113.3 | ||||
| 311 | S | 26.4 | Very low | 34.4 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -177.3 | 111.1 | 135.4 | -79.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 312 | L | 32.9 | Very low | 35.2 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -36.8 | 126.2 | 155.7 | -81.6 | 152.4 | 0 | 0 | 0 | 114.2 | ||||
| 313 | R | 33.5 | Very low | 35.8 | Very low | 227 Ų | 227 | 131.9 Ų | 131.9 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -168.1 | 133.3 | 138.2 | -117.7 | 174.4 | 165.1 | 168.7 | -3.5 | 114.2 | ||||
| 314 | E | 26.3 | Very low | 36.2 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 87 | 90.3 | 148 | -121.9 | 153.1 | 98.5 | 0 | 0 | 119.1 | T316 | E314-T316 PolarHBondContact O-N 2.91Š| ||
| 315 | L | 33.6 | Very low | 36.5 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -47.7 | 119.4 | 146 | -65.9 | 162.4 | 0 | 0 | 0 | 110.3 | ||||
| 316 | T | 33.5 | Very low | 37.2 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -165.7 | 137.6 | 136.7 | 40.3 | 0 | 0 | 0 | 0 | 110.8 | E314 | E314-T316 PolarHBondContact O-N 2.91Š| ||
| 317 | A | 29.3 | Very low | 38 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 78.3 | 105.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 318 | S | 37.1 | Very low | 39.7 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -69.9 | 167 | 157.5 | -37 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 319 | P | 41.4 | Very low | 40.8 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | -123.3 | 143.8 | 54.1 | 23.5 | -3.4 | 0 | 0 | 0 | 115.9 | T321 | P319-T321 PolarHBondContact O-N 2.94Š| |||
| 320 | I | 48.8 | Very low | 42.3 | Very low | 158 Ų | 158 | 120 Ų | 120 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | trans | -62 | 112.8 | 163.1 | -66.3 | 150.1 | 0 | 0 | 0 | 108.9 | ||||
| 321 | T | 45.6 | Very low | 43.8 | Very low | 136 Ų | 136 | 118.3 Ų | 118.3 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | trans | -157.7 | 8.5 | 164.8 | 32.8 | 0 | 0 | 0 | 0 | 115.1 | P319 | P319-T321 PolarHBondContact O-N 2.94Š| ||
| 322 | G | 41.6 | Very low | 45.2 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -108.9 | -23 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 323 | S | 49.3 | Very low | 46.5 | Very low | 112 Ų | 112 | 112.9 Ų | 112.9 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -99.3 | -9.5 | -158 | -150.5 | 0 | 0 | 0 | 0 | 116.3 | ||
| 324 | L | 44.3 | Very low | 47.6 | Very low | 161 Ų | 161 | 107.8 Ų | 107.8 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -83.6 | -23.8 | 175.5 | -67.4 | 170.8 | 0 | 0 | 0 | 112.5 | A326 | L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 3.39Å |
| 325 | N | 52.6 | Low | 48.9 | Very low | 96 Ų | 96 | 101.6 Ų | 101.6 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73.1 | -23.4 | -177 | -156.9 | 28.1 | 0 | 0 | 0 | 112.1 | Q329 | N325-Q329 PolarHBondContact ND2-NE2 2.68Å; N325-Q329 WeakPolarHBondContact O-CB 3.19Å; N325-Q329 WeakPolarHBondContact O-CG 3.19Å; N325-Q329 PolarHBondContact O-N 3.09Å; N325-Q329 VanDerWaalsContact O-N 3.09Å; N325-Q329 PolarHBondContact O-NE2 2.75Å |
| 326 | A | 53.8 | Low | 49.9 | Very low | 65 Ų | 65 | 96.9 Ų | 96.9 | 54% | 0.537 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.9 | -46.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L324 L328 S330 | L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 3.39Å; A326-L328 VanDerWaalsContact C-N 3.35Å; A326-L328 PolarHBondContact O-N 3.48Å; A326-S330 PolarHBondContact O-N 3.19Å |
| 327 | G | 54.1 | Low | 50.9 | Low | 55 Ų | 55 | 94.1 Ų | 94.1 | 57% | 0.567 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.1 | -33.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S330 L331 | G327-S330 PolarHBondContact O-N 2.85Å; G327-L331 PolarHBondContact O-N 3.31Å |
| 328 | L | 58.9 | Low | 51.8 | Low | 75 Ų | 75 | 91 Ų | 91 | 39% | 0.393 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -82 | -30.7 | -178.8 | -158.3 | 158.8 | 0 | 0 | 0 | 112 | A326 S330 L331 L332 F364 | A326-L328 VanDerWaalsContact C-N 3.35Å; A326-L328 PolarHBondContact O-N 3.48Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 3.05Å; L328-L331 PolarHBondContact O-N 3.43Å; L328-L332 WeakPolarHBondContact O-CB 3.5Å; L328-L332 PolarHBondContact O-N 2.88Å; L328-F364 HydrophobicContact CD1-CE2 4.46Å; L328-F364 HydrophobicContact CD2-CD2 3.79Å; L328-F364 HydrophobicContact CD2-CE2 3.3Å; L328-F364 HydrophobicContact CD2-CZ 4.26Å; L328-F364 HydrophobicContact CG-CE2 4.37Å |
| 329 | Q | 56 | Low | 52.7 | Low | 101 Ų | 101 | 90.7 Ų | 90.7 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.3 | -35.2 | 167 | -82.6 | 177.1 | 98.9 | 0 | 0 | 112.2 | N325 L332 Q333 | N325-Q329 PolarHBondContact ND2-NE2 2.68Å; N325-Q329 WeakPolarHBondContact O-CB 3.19Å; N325-Q329 WeakPolarHBondContact O-CG 3.19Å; N325-Q329 PolarHBondContact O-N 3.09Å; N325-Q329 VanDerWaalsContact O-N 3.09Å; N325-Q329 PolarHBondContact O-NE2 2.75Å; Q329-L332 PolarHBondContact O-N 3.29Å; Q329-Q333 WeakPolarHBondContact O-CB 3.44Å; Q329-Q333 PolarHBondContact O-N 3.49Å |
| 330 | S | 58.8 | Low | 53.5 | Low | 81 Ų | 81 | 87 Ų | 87 | 57% | 0.566 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.4 | -38.3 | 175.9 | -151.8 | 0 | 0 | 0 | 0 | 112.1 | A326 G327 L328 E334 | A326-S330 PolarHBondContact O-N 3.19Å; G327-S330 PolarHBondContact O-N 2.85Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 3.05Å; S330-E334 WeakPolarHBondContact O-CB 3.46Å; S330-E334 PolarHBondContact O-N 3.47Å |
| 331 | L | 62.3 | Low | 54.1 | Low | 100 Ų | 100 | 83.3 Ų | 83.3 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69 | -38.1 | 173.1 | -165.9 | 93.9 | 0 | 0 | 0 | 111.8 | G327 L328 Q333 E334 I335 | G327-L331 PolarHBondContact O-N 3.31Å; L328-L331 PolarHBondContact O-N 3.43Å; L331-Q333 VanDerWaalsContact C-N 3.34Å; L331-E334 WeakPolarHBondContact O-CB 3.44Å; L331-E334 PolarHBondContact O-N 3.4Å; L331-I335 HydrophobicContact CD2-CD1 3.71Å; L331-I335 HydrophobicContact CG-CD1 3.82Å; L331-I335 HydrophobicContact CG-CG1 4.42Å; L331-I335 WeakPolarHBondContact O-CB 3.46Å; L331-I335 WeakPolarHBondContact O-CD1 3.19Å; L331-I335 WeakPolarHBondContact O-CG1 3.32Å; L331-I335 PolarHBondContact O-N 3.01Å |
| 332 | L | 54.6 | Low | 54.8 | Low | 27 Ų | 27 | 79 Ų | 79 | 14% | 0.141 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -68.9 | -34.6 | 177.2 | -165.9 | 142.3 | 0 | 0 | 0 | 111.4 | L328 Q329 T336 Q367 | L328-L332 WeakPolarHBondContact O-CB 3.5Å; L328-L332 PolarHBondContact O-N 2.88Å; Q329-L332 PolarHBondContact O-N 3.29Å; L332-T336 HydrophobicContact CD2-CG2 4.31Å; L332-T336 WeakPolarHBondContact O-CB 3.32Å; L332-T336 WeakPolarHBondContact O-CG2 3.09Å; L332-T336 PolarHBondContact O-N 2.91Å; L332-T336 PolarHBondContact O-OG1 3.22Å; L332-Q367 HydrophobicContact CD1-CG 4.43Å |
| 333 | Q | 62.1 | Low | 55.3 | Low | 136 Ų | 136 | 82.3 Ų | 82.3 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.1 | -37.5 | 170.8 | -152 | 80.6 | 30.6 | 0 | 0 | 111.4 | Q329 L331 T336 A337 | Q329-Q333 WeakPolarHBondContact O-CB 3.44Å; Q329-Q333 PolarHBondContact O-N 3.49Å; L331-Q333 VanDerWaalsContact C-N 3.34Å; Q333-T336 WeakPolarHBondContact CA-OG1 3.41Å; Q333-T336 PolarHBondContact O-OG1 3.46Å; Q333-A337 WeakPolarHBondContact O-CB 3.11Å; Q333-A337 PolarHBondContact O-N 3.08Å |
| 334 | E | 55.2 | Low | 55.7 | Low | 120 Ų | 120 | 82.1 Ų | 82.1 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.7 | -41 | 176.5 | -169.8 | 98.3 | 60.5 | 0 | 0 | 112.4 | S330 L331 A337 S338 | S330-E334 WeakPolarHBondContact O-CB 3.46Å; S330-E334 PolarHBondContact O-N 3.47Å; L331-E334 WeakPolarHBondContact O-CB 3.44Å; L331-E334 PolarHBondContact O-N 3.4Å; E334-A337 PolarHBondContact O-N 3.44Å; E334-S338 VanDerWaalsContact O-CB 3.28Å; E334-S338 WeakPolarHBondContact O-CB 3.18Å; E334-S338 PolarHBondContact O-N 3.49Å; E334-S338 PolarHBondContact O-OG 3.19Å |
| 335 | I | 54 | Low | 56.4 | Low | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.149 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -69.2 | -40 | 177.6 | -69.5 | 165.1 | 0 | 0 | 0 | 110.6 | L331 S338 T342 M368 | L331-I335 HydrophobicContact CD2-CD1 3.71Å; L331-I335 HydrophobicContact CG-CD1 3.82Å; L331-I335 HydrophobicContact CG-CG1 4.42Å; L331-I335 WeakPolarHBondContact O-CB 3.46Å; L331-I335 WeakPolarHBondContact O-CD1 3.19Å; L331-I335 WeakPolarHBondContact O-CG1 3.32Å; L331-I335 PolarHBondContact O-N 3.01Å; I335-S338 CarbonylContact O-C 3.53Å; I335-S338 PolarHBondContact O-N 2.77Å; I335-T342 HydrophobicContact CG2-CG2 3.36Å; I335-T342 WeakPolarHBondContact O-CG2 3.34Å; I335-M368 HydrophobicContact CG2-CE 4.37Å |
| 336 | T | 55.1 | Low | 56.8 | Low | 68 Ų | 68 | 76.5 Ų | 76.5 | 42% | 0.417 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -75.3 | -28.6 | 174.7 | 51 | 0 | 0 | 0 | 0 | 112.8 | L332 Q333 S338 | L332-T336 HydrophobicContact CD2-CG2 4.31Å; L332-T336 WeakPolarHBondContact O-CB 3.32Å; L332-T336 WeakPolarHBondContact O-CG2 3.09Å; L332-T336 PolarHBondContact O-N 2.91Å; L332-T336 PolarHBondContact O-OG1 3.22Å; Q333-T336 WeakPolarHBondContact CA-OG1 3.41Å; Q333-T336 PolarHBondContact O-OG1 3.46Å; T336-S338 VanDerWaalsContact C-N 3.25Å; T336-S338 PolarHBondContact O-N 2.78Å |
| 337 | A | 54.3 | Low | 57.1 | Low | 73 Ų | 73 | 77.3 Ų | 77.3 | 60% | 0.603 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71.8 | -20.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q333 E334 P339 | Q333-A337 WeakPolarHBondContact O-CB 3.11Å; Q333-A337 PolarHBondContact O-N 3.08Å; E334-A337 PolarHBondContact O-N 3.44Å; A337-P339 VanDerWaalsContact O-CD 3.31Å; A337-P339 WeakPolarHBondContact O-CD 3.25Å |
| 338 | S | 47.2 | Very low | 57.5 | Low | 36 Ų | 36 | 76.2 Ų | 76.2 | 25% | 0.252 | 44% | 0.44 | S | S | . | . | trans | -118.1 | 83.3 | -176.1 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | E334 I335 T336 G340 L341 T342 | E334-S338 VanDerWaalsContact O-CB 3.28Å; E334-S338 WeakPolarHBondContact O-CB 3.18Å; E334-S338 PolarHBondContact O-N 3.49Å; E334-S338 PolarHBondContact O-OG 3.19Å; I335-S338 CarbonylContact O-C 3.53Å; I335-S338 PolarHBondContact O-N 2.77Å; T336-S338 VanDerWaalsContact C-N 3.25Å; T336-S338 PolarHBondContact O-N 2.78Å; S338-G340 PolarHBondContact O-N 3.39Å; S338-G340 VanDerWaalsContact O-N 3.1Å; S338-L341 PolarHBondContact O-N 2.94Å; S338-T342 PolarHBondContact O-N 3.25Å | ||
| 339 | P | 56.8 | Low | 57.6 | Low | 94 Ų | 94 | 77.9 Ų | 77.9 | 61% | 0.61 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.4 | -24.4 | 178.1 | 21.7 | -32.1 | 0 | 0 | 0 | 113.5 | A337 T342 E343 | A337-P339 VanDerWaalsContact O-CD 3.31Å; A337-P339 WeakPolarHBondContact O-CD 3.25Å; P339-T342 WeakPolarHBondContact CA-OG1 3.37Å; P339-T342 PolarHBondContact O-OG1 3.25Å; P339-E343 WeakPolarHBondContact O-CB 3.43Å; P339-E343 PolarHBondContact O-N 3.38Å; P339-E343 VanDerWaalsContact O-N 3.08Å |
| 340 | G | 57.2 | Low | 57.8 | Low | 41 Ų | 41 | 78.4 Ų | 78.4 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.8 | -29.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S338 I344 | S338-G340 PolarHBondContact O-N 3.39Å; S338-G340 VanDerWaalsContact O-N 3.1Å; G340-I344 WeakPolarHBondContact O-CB 3.36Å; G340-I344 VanDerWaalsContact O-CD1 3.24Å; G340-I344 WeakPolarHBondContact O-CD1 3.47Å; G340-I344 WeakPolarHBondContact O-CG1 3.5Å; G340-I344 PolarHBondContact O-N 2.86Å |
| 341 | L | 62.9 | Low | 58.3 | Low | 80 Ų | 80 | 75.9 Ų | 75.9 | 42% | 0.419 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -79.8 | -34.4 | 178.6 | -70.2 | 179.4 | 0 | 0 | 0 | 112 | S338 E343 I344 L345 | S338-L341 PolarHBondContact O-N 2.94Å; L341-E343 VanDerWaalsContact C-N 3.33Å; L341-I344 HydrophobicContact CD2-CD1 4.3Å; L341-I344 PolarHBondContact O-N 3.03Å; L341-L345 WeakPolarHBondContact O-CB 3.31Å; L341-L345 WeakPolarHBondContact O-CG 3.04Å; L341-L345 PolarHBondContact O-N 3.31Å |
| 342 | T | 60.4 | Low | 58.5 | Low | 45 Ų | 45 | 76.4 Ų | 76.4 | 28% | 0.276 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 168.8 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | I335 S338 P339 I344 L345 L346 | I335-T342 HydrophobicContact CG2-CG2 3.36Å; I335-T342 WeakPolarHBondContact O-CG2 3.34Å; S338-T342 PolarHBondContact O-N 3.25Å; P339-T342 WeakPolarHBondContact CA-OG1 3.37Å; P339-T342 PolarHBondContact O-OG1 3.25Å; T342-I344 VanDerWaalsContact C-N 3.33Å; T342-I344 PolarHBondContact O-N 2.78Å; T342-L345 PolarHBondContact O-N 3.34Å; T342-L346 WeakPolarHBondContact O-CB 3.25Å; T342-L346 WeakPolarHBondContact O-CD1 3.4Å; T342-L346 PolarHBondContact O-N 3.42Å |
| 343 | E | 51 | Low | 59.3 | Low | 133 Ų | 133 | 79.5 Ų | 79.5 | 62% | 0.621 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 173.1 | -164.9 | 171.7 | 104.1 | 0 | 0 | 111.9 | P339 L341 S347 | P339-E343 WeakPolarHBondContact O-CB 3.43Å; P339-E343 PolarHBondContact O-N 3.38Å; P339-E343 VanDerWaalsContact O-N 3.08Å; L341-E343 VanDerWaalsContact C-N 3.33Å; E343-S347 WeakPolarHBondContact O-CA 3.33Å; E343-S347 WeakPolarHBondContact O-CB 3.39Å; E343-S347 PolarHBondContact O-N 2.91Å; E343-S347 PolarHBondContact O-OG 3.46Å |
| 344 | I | 58.6 | Low | 59.7 | Low | 108 Ų | 108 | 75 Ų | 75 | 55% | 0.554 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.6 | -35 | 175.6 | -72.3 | 159.4 | 0 | 0 | 0 | 112.7 | G340 L341 T342 | G340-I344 WeakPolarHBondContact O-CB 3.36Å; G340-I344 VanDerWaalsContact O-CD1 3.24Å; G340-I344 WeakPolarHBondContact O-CD1 3.47Å; G340-I344 WeakPolarHBondContact O-CG1 3.5Å; G340-I344 PolarHBondContact O-N 2.86Å; L341-I344 HydrophobicContact CD2-CD1 4.3Å; L341-I344 PolarHBondContact O-N 3.03Å; T342-I344 VanDerWaalsContact C-N 3.33Å; T342-I344 PolarHBondContact O-N 2.78Å |
| 345 | L | 58 | Low | 60.5 | Low | 53 Ų | 53 | 70.3 Ų | 70.3 | 28% | 0.277 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -75.6 | -30.5 | 177.4 | -71.8 | 168.9 | 0 | 0 | 0 | 112.4 | L341 T342 V354 | L341-L345 WeakPolarHBondContact O-CB 3.31Å; L341-L345 WeakPolarHBondContact O-CG 3.04Å; L341-L345 PolarHBondContact O-N 3.31Å; T342-L345 PolarHBondContact O-N 3.34Å; L345-V354 HydrophobicContact CD2-CG2 4.3Å |
| 346 | L | 62.4 | Low | 61.2 | Low | 86 Ų | 86 | 73.2 Ų | 73.2 | 45% | 0.45 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -89.8 | -29 | 176.7 | -84 | 79 | 0 | 0 | 0 | 112.8 | T342 G348 I351 | T342-L346 WeakPolarHBondContact O-CB 3.25Å; T342-L346 WeakPolarHBondContact O-CD1 3.4Å; T342-L346 PolarHBondContact O-N 3.42Å; L346-G348 PolarHBondContact O-N 3.17Å; L346-I351 HydrophobicContact CB-CD1 4.42Å; L346-I351 HydrophobicContact CG-CD1 4.37Å |
| 347 | S | 59.5 | Low | 62 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 58% | 0.58 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -94.8 | 69.6 | -179.6 | -49 | 0 | 0 | 0 | 0 | 110 | E343 | E343-S347 WeakPolarHBondContact O-CA 3.33Å; E343-S347 WeakPolarHBondContact O-CB 3.39Å; E343-S347 PolarHBondContact O-N 2.91Å; E343-S347 PolarHBondContact O-OG 3.46Å |
| 348 | G | 62.6 | Low | 62.8 | Low | 31 Ų | 31 | 70.1 Ų | 70.1 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 164.2 | -178.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | L346 H350 I351 | L346-G348 PolarHBondContact O-N 3.17Å; G348-H350 PolarHBondContact O-N 3.06Å; G348-I351 WeakPolarHBondContact O-CG2 3.4Å; G348-I351 PolarHBondContact O-N 3.01Å |
| 349 | P | 60.1 | Low | 64 | Low | 110 Ų | 110 | 70.9 Ų | 70.9 | 71% | 0.714 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -7.6 | 179.5 | 26.1 | -33 | 0 | 0 | 0 | 113.4 | I351 | P349-I351 VanDerWaalsContact C-N 3.3Š|
| 350 | H | 60.9 | Low | 64.8 | Low | 112 Ų | 112 | 72.4 Ų | 72.4 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -75.3 | -22.2 | 177 | -60.7 | 36.3 | 0 | 0 | 0 | 111.1 | G348 N352 C353 V354 | G348-H350 PolarHBondContact O-N 3.06Å; H350-N352 PolarHBondContact O-N 3.09Å; H350-C353 WeakPolarHBondContact O-CB 3.35Å; H350-C353 PolarHBondContact O-N 3.49Å; H350-V354 WeakPolarHBondContact O-CG2 3.32Å; H350-V354 PolarHBondContact O-N 2.76Å |
| 351 | I | 68.5 | Low | 65.3 | Low | 28 Ų | 28 | 74.2 Ų | 74.2 | 14% | 0.144 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.8 | -32.8 | 175.6 | -155.3 | 165.8 | 0 | 0 | 0 | 111.2 | L346 G348 P349 V354 L355 L402 L406 | L346-I351 HydrophobicContact CB-CD1 4.42Å; L346-I351 HydrophobicContact CG-CD1 4.37Å; G348-I351 WeakPolarHBondContact O-CG2 3.4Å; G348-I351 PolarHBondContact O-N 3.01Å; P349-I351 VanDerWaalsContact C-N 3.3Å; I351-V354 PolarHBondContact O-N 3.49Å; I351-L355 WeakPolarHBondContact O-CA 3.45Å; I351-L355 WeakPolarHBondContact O-CB 3.36Å; I351-L355 PolarHBondContact O-N 2.9Å; I351-L402 HydrophobicContact CD1-CD2 4.08Å; I351-L402 HydrophobicContact CG2-CD2 4.1Å; I351-L406 HydrophobicContact CD1-CD1 4.49Å; I351-L406 HydrophobicContact CD1-CD2 4.32Å |
| 352 | N | 67.8 | Low | 65.4 | Low | 112 Ų | 112 | 73.4 Ų | 73.4 | 60% | 0.599 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.2 | -35 | 175.5 | -92.3 | -46.1 | 0 | 0 | 0 | 112.3 | H350 N356 | H350-N352 PolarHBondContact O-N 3.09Å; N352-N356 WeakPolarHBondContact O-CB 3.02Å; N352-N356 PolarHBondContact O-N 3.41Å |
| 353 | C | 71.1 | Confident | 66.2 | Low | 91 Ų | 91 | 77.9 Ų | 77.9 | 62% | 0.615 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70 | -46.1 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | H350 N356 C357 | H350-C353 WeakPolarHBondContact O-CB 3.35Å; H350-C353 PolarHBondContact O-N 3.49Å; C353-N356 PolarHBondContact O-N 3.01Å; C353-C357 VanDerWaalsContact O-CB 3.3Å; C353-C357 WeakPolarHBondContact O-CB 3.39Å; C353-C357 PolarHBondContact O-N 3.42Å |
| 354 | V | 70.8 | Confident | 67.3 | Low | 41 Ų | 41 | 74.5 Ų | 74.5 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 110 | L345 H350 I351 N356 C357 L358 | L345-V354 HydrophobicContact CD2-CG2 4.3Å; H350-V354 WeakPolarHBondContact O-CG2 3.32Å; H350-V354 PolarHBondContact O-N 2.76Å; I351-V354 PolarHBondContact O-N 3.49Å; V354-N356 VanDerWaalsContact C-N 3.34Å; V354-N356 PolarHBondContact O-N 3.47Å; V354-C357 CarbonylContact O-C 3.53Å; V354-C357 WeakPolarHBondContact O-CB 3.43Å; V354-C357 PolarHBondContact O-N 3.11Å; V354-L358 HydrophobicContact CG1-CD1 3.48Å; V354-L358 VanDerWaalsContact CG1-CD1 3.48Å; V354-L358 WeakPolarHBondContact O-CB 3.46Å; V354-L358 WeakPolarHBondContact O-CD1 3.39Å; V354-L358 PolarHBondContact O-N 3.07Å |
| 355 | L | 70.5 | Confident | 67.9 | Low | 23 Ų | 23 | 69.3 Ų | 69.3 | 12% | 0.12 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 176.7 | -162.7 | 89.3 | 0 | 0 | 0 | 111.7 | I351 L358 S359 M396 L402 | I351-L355 WeakPolarHBondContact O-CA 3.45Å; I351-L355 WeakPolarHBondContact O-CB 3.36Å; I351-L355 PolarHBondContact O-N 2.9Å; L355-L358 PolarHBondContact O-N 2.72Å; L355-S359 VanDerWaalsContact O-CB 3.25Å; L355-S359 WeakPolarHBondContact O-CB 3.49Å; L355-S359 PolarHBondContact O-N 3.16Å; L355-S359 PolarHBondContact O-OG 2.72Å; L355-M396 HydrophobicContact CD1-CB 4.12Å; L355-M396 HydrophobicContact CD1-CE 3.84Å; L355-L402 HydrophobicContact CD1-CD1 4.15Å |
| 356 | N | 70.4 | Confident | 68.3 | Low | 89 Ų | 89 | 67.3 Ų | 67.3 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 174.7 | -168.7 | 15.7 | 0 | 0 | 0 | 111 | N352 C353 V354 S359 Q360 | N352-N356 WeakPolarHBondContact O-CB 3.02Å; N352-N356 PolarHBondContact O-N 3.41Å; C353-N356 PolarHBondContact O-N 3.01Å; V354-N356 VanDerWaalsContact C-N 3.34Å; V354-N356 PolarHBondContact O-N 3.47Å; N356-S359 PolarHBondContact O-N 3.29Å; N356-S359 PolarHBondContact O-OG 2.83Å; N356-Q360 VanDerWaalsContact O-CG 3.3Å; N356-Q360 WeakPolarHBondContact O-CG 3.45Å; N356-Q360 PolarHBondContact O-N 2.89Å; N356-Q360 PolarHBondContact O-NE2 3.09Å; N356-Q360 PolarHBondContact OD1-NE2 3.49Å |
| 357 | C | 71.2 | Confident | 68.7 | Low | 62 Ų | 62 | 68.6 Ų | 68.6 | 42% | 0.419 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 175.6 | -163.1 | 0 | 0 | 0 | 0 | 112.5 | C353 V354 Q360 N361 | C353-C357 VanDerWaalsContact O-CB 3.3Å; C353-C357 WeakPolarHBondContact O-CB 3.39Å; C353-C357 PolarHBondContact O-N 3.42Å; V354-C357 CarbonylContact O-C 3.53Å; V354-C357 WeakPolarHBondContact O-CB 3.43Å; V354-C357 PolarHBondContact O-N 3.11Å; C357-Q360 PolarHBondContact O-N 3.32Å; C357-N361 PolarHBondContact O-N 3.45Å; C357-N361 PolarHBondContact O-ND2 3.22Å |
| 358 | L | 70.1 | Confident | 69.1 | Low | 14 Ų | 14 | 66.9 Ų | 66.9 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 173.8 | -93.5 | 81.3 | 0 | 0 | 0 | 111.7 | V354 L355 Q360 N361 F364 A365 M368 L393 | V354-L358 HydrophobicContact CG1-CD1 3.48Å; V354-L358 VanDerWaalsContact CG1-CD1 3.48Å; V354-L358 WeakPolarHBondContact O-CB 3.46Å; V354-L358 WeakPolarHBondContact O-CD1 3.39Å; V354-L358 PolarHBondContact O-N 3.07Å; L355-L358 PolarHBondContact O-N 2.72Å; L358-Q360 VanDerWaalsContact C-N 3.28Å; L358-Q360 PolarHBondContact O-N 3.47Å; L358-N361 CarbonylContact O-C 3.53Å; L358-N361 PolarHBondContact O-N 3.37Å; L358-N361 VanDerWaalsContact O-O 3.07Å; L358-F364 HydrophobicContact CD1-CD1 4.36Å; L358-F364 HydrophobicContact CD1-CE1 4.16Å; L358-F364 HydrophobicContact CG-CD1 4.47Å; L358-A365 HydrophobicContact CB-CB 3.84Å; L358-A365 HydrophobicContact CD2-CB 3.64Å; L358-A365 HydrophobicContact CG-CB 3.7Å; L358-M368 HydrophobicContact CD1-SD 4.4Å; L358-M368 HydrophobicContact CD2-SD 4.45Å; L358-L393 HydrophobicContact CB-CD2 4.26Å |
| 359 | S | 72.4 | Confident | 69.4 | Low | 52 Ų | 52 | 66.9 Ų | 66.9 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.6 | -33.6 | 175.9 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | L355 N356 N361 | L355-S359 VanDerWaalsContact O-CB 3.25Å; L355-S359 WeakPolarHBondContact O-CB 3.49Å; L355-S359 PolarHBondContact O-N 3.16Å; L355-S359 PolarHBondContact O-OG 2.72Å; N356-S359 PolarHBondContact O-N 3.29Å; N356-S359 PolarHBondContact O-OG 2.83Å; S359-N361 VanDerWaalsContact C-N 3.33Å |
| 360 | Q | 73.5 | Confident | 69.8 | Low | 127 Ų | 127 | 62.5 Ų | 62.5 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -76.4 | -20.9 | 174.3 | -70.6 | 173.1 | 47 | 0 | 0 | 112.5 | N356 C357 L358 | N356-Q360 VanDerWaalsContact O-CG 3.3Å; N356-Q360 WeakPolarHBondContact O-CG 3.45Å; N356-Q360 PolarHBondContact O-N 2.89Å; N356-Q360 PolarHBondContact O-NE2 3.09Å; N356-Q360 PolarHBondContact OD1-NE2 3.49Å; C357-Q360 PolarHBondContact O-N 3.32Å; L358-Q360 VanDerWaalsContact C-N 3.28Å; L358-Q360 PolarHBondContact O-N 3.47Å |
| 361 | N | 67.9 | Low | 70 | Confident | 79 Ų | 79 | 58.7 Ų | 58.7 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | trans | -130.6 | 79 | -178.5 | -63.2 | -81.6 | 0 | 0 | 0 | 111.1 | C357 L358 S359 D363 F364 A365 | C357-N361 PolarHBondContact O-N 3.45Å; C357-N361 PolarHBondContact O-ND2 3.22Å; L358-N361 CarbonylContact O-C 3.53Å; L358-N361 PolarHBondContact O-N 3.37Å; L358-N361 VanDerWaalsContact O-O 3.07Å; S359-N361 VanDerWaalsContact C-N 3.33Å; N361-D363 VanDerWaalsContact C-N 3.31Å; N361-D363 PolarHBondContact O-N 3.27Å; N361-F364 HydrophobicContact CB-CB 3.88Å; N361-F364 PolarHBondContact O-N 3.26Å; N361-F364 VanDerWaalsContact O-N 3.13Å; N361-A365 PolarHBondContact O-N 2.88Å | ||
| 362 | P | 65.1 | Low | 69.7 | Low | 63 Ų | 63 | 61.9 Ų | 61.9 | 41% | 0.409 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -32.2 | -175.8 | 25.3 | -34.5 | 0 | 0 | 0 | 113.3 | A365 A366 L393 | P362-A365 PolarHBondContact O-N 2.93Å; P362-A366 WeakPolarHBondContact O-CB 3.01Å; P362-A366 PolarHBondContact O-N 3.43Å; P362-L393 HydrophobicContact CB-CD1 4.45Å |
| 363 | D | 77.6 | Confident | 69.1 | Low | 138 Ų | 138 | 61.6 Ų | 61.6 | 74% | 0.738 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | 174.3 | -87.3 | -74.7 | 0 | 0 | 0 | 112.4 | N361 Q367 | N361-D363 VanDerWaalsContact C-N 3.31Å; N361-D363 PolarHBondContact O-N 3.27Å; D363-Q367 WeakPolarHBondContact O-CB 3.34Å; D363-Q367 PolarHBondContact O-N 2.66Å |
| 364 | F | 74.7 | Confident | 68.6 | Low | 62 Ų | 62 | 63.6 Ų | 63.6 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.5 | -40.5 | 176.2 | 175.9 | -114.1 | 0 | 0 | 0 | 111.6 | L328 L358 N361 A366 Q367 M368 | L328-F364 HydrophobicContact CD1-CE2 4.46Å; L328-F364 HydrophobicContact CD2-CD2 3.79Å; L328-F364 HydrophobicContact CD2-CE2 3.3Å; L328-F364 HydrophobicContact CD2-CZ 4.26Å; L328-F364 HydrophobicContact CG-CE2 4.37Å; L358-F364 HydrophobicContact CD1-CD1 4.36Å; L358-F364 HydrophobicContact CD1-CE1 4.16Å; L358-F364 HydrophobicContact CG-CD1 4.47Å; N361-F364 HydrophobicContact CB-CB 3.88Å; N361-F364 PolarHBondContact O-N 3.26Å; N361-F364 VanDerWaalsContact O-N 3.13Å; F364-A366 VanDerWaalsContact C-N 3.32Å; F364-A366 PolarHBondContact O-N 3.34Å; F364-Q367 WeakPolarHBondContact O-CB 3.35Å; F364-Q367 PolarHBondContact O-N 3.42Å; F364-M368 WeakPolarHBondContact O-CB 3.45Å; F364-M368 PolarHBondContact O-N 3.04Å |
| 365 | A | 70.9 | Confident | 68.3 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L358 N361 P362 M368 L369 L393 | L358-A365 HydrophobicContact CB-CB 3.84Å; L358-A365 HydrophobicContact CD2-CB 3.64Å; L358-A365 HydrophobicContact CG-CB 3.7Å; N361-A365 PolarHBondContact O-N 2.88Å; P362-A365 PolarHBondContact O-N 2.93Å; A365-M368 PolarHBondContact O-N 2.96Å; A365-L369 WeakPolarHBondContact O-CB 3.18Å; A365-L369 WeakPolarHBondContact O-CD1 3.34Å; A365-L369 PolarHBondContact O-N 3.1Å; A365-L393 HydrophobicContact CB-CD1 3.73Å; A365-L393 HydrophobicContact CB-CD2 4.04Å; A365-L393 HydrophobicContact CB-CG 4.4Å |
| 366 | A | 67.2 | Low | 67.9 | Low | 11 Ų | 11 | 65.6 Ų | 65.6 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P362 F364 M368 L369 L370 I389 | P362-A366 WeakPolarHBondContact O-CB 3.01Å; P362-A366 PolarHBondContact O-N 3.43Å; F364-A366 VanDerWaalsContact C-N 3.32Å; F364-A366 PolarHBondContact O-N 3.34Å; A366-M368 VanDerWaalsContact C-N 3.3Å; A366-M368 PolarHBondContact O-N 3.08Å; A366-L369 PolarHBondContact O-N 3.03Å; A366-L370 HydrophobicContact CB-CD1 4.37Å; A366-L370 WeakPolarHBondContact O-CB 3.37Å; A366-L370 WeakPolarHBondContact O-CG 2.91Å; A366-L370 PolarHBondContact O-N 2.95Å; A366-I389 HydrophobicContact CB-CD1 3.74Å; A366-I389 HydrophobicContact CB-CG2 4.3Å |
| 367 | Q | 69.9 | Low | 67.5 | Low | 112 Ų | 112 | 65.1 Ų | 65.1 | 52% | 0.523 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 177.8 | -164.3 | 66 | 39.1 | 0 | 0 | 112.3 | L332 D363 F364 S371 | L332-Q367 HydrophobicContact CD1-CG 4.43Å; D363-Q367 WeakPolarHBondContact O-CB 3.34Å; D363-Q367 PolarHBondContact O-N 2.66Å; F364-Q367 WeakPolarHBondContact O-CB 3.35Å; F364-Q367 PolarHBondContact O-N 3.42Å; Q367-S371 WeakPolarHBondContact O-CB 3.09Å; Q367-S371 PolarHBondContact O-N 2.83Å; Q367-S371 PolarHBondContact O-OG 3.23Å |
| 368 | M | 67.5 | Low | 67.3 | Low | 48 Ų | 48 | 66 Ų | 66 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.1 | -47.6 | -179.6 | -166.4 | 174 | -164.6 | 0 | 0 | 112.3 | I335 L358 F364 A365 A366 S371 H372 | I335-M368 HydrophobicContact CG2-CE 4.37Å; L358-M368 HydrophobicContact CD1-SD 4.4Å; L358-M368 HydrophobicContact CD2-SD 4.45Å; F364-M368 WeakPolarHBondContact O-CB 3.45Å; F364-M368 PolarHBondContact O-N 3.04Å; A365-M368 PolarHBondContact O-N 2.96Å; A366-M368 VanDerWaalsContact C-N 3.3Å; A366-M368 PolarHBondContact O-N 3.08Å; M368-S371 WeakPolarHBondContact CA-OG 3.4Å; M368-S371 PolarHBondContact O-N 3.49Å; M368-S371 PolarHBondContact O-OG 3.47Å; M368-H372 PolarHBondContact O-N 3.09Å |
| 369 | L | 69.7 | Low | 67.4 | Low | 31 Ų | 31 | 70.5 Ų | 70.5 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.1 | -95.7 | 122.8 | 0 | 0 | 0 | 111.7 | A365 A366 S371 H372 L375 M385 F392 | A365-L369 WeakPolarHBondContact O-CB 3.18Å; A365-L369 WeakPolarHBondContact O-CD1 3.34Å; A365-L369 PolarHBondContact O-N 3.1Å; A366-L369 PolarHBondContact O-N 3.03Å; L369-S371 VanDerWaalsContact C-N 3.27Å; L369-S371 PolarHBondContact O-N 3.38Å; L369-H372 WeakPolarHBondContact O-CB 3.32Å; L369-H372 PolarHBondContact O-N 3.2Å; L369-H372 VanDerWaalsContact O-N 3.11Å; L369-L375 VanDerWaalsContact O-CD1 3.31Å; L369-L375 WeakPolarHBondContact O-CD1 3.36Å; L369-M385 HydrophobicContact CD2-CE 4.03Å; L369-M385 HydrophobicContact CD2-SD 4.46Å; L369-F392 HydrophobicContact CD1-CD1 4.43Å; L369-F392 HydrophobicContact CD1-CE1 4.25Å; L369-F392 HydrophobicContact CD2-CD1 4.22Å; L369-F392 HydrophobicContact CD2-CE1 3.7Å; L369-F392 HydrophobicContact CD2-CZ 4.47Å |
| 370 | L | 68.7 | Low | 67.6 | Low | 17 Ų | 17 | 76 Ų | 76 | 9% | 0.089 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -74.6 | -20.5 | -179.2 | -62.8 | 179.5 | 0 | 0 | 0 | 112.5 | A366 H372 Q382 M385 R386 I389 | A366-L370 HydrophobicContact CB-CD1 4.37Å; A366-L370 WeakPolarHBondContact O-CB 3.37Å; A366-L370 WeakPolarHBondContact O-CG 2.91Å; A366-L370 PolarHBondContact O-N 2.95Å; L370-H372 VanDerWaalsContact C-N 3.26Å; L370-Q382 HydrophobicContact CB-CG 4.11Å; L370-Q382 HydrophobicContact CD1-CG 3.86Å; L370-Q382 HydrophobicContact CD2-CB 4.11Å; L370-Q382 HydrophobicContact CD2-CG 3.66Å; L370-Q382 HydrophobicContact CG-CG 4.03Å; L370-Q382 PolarHBondContact O-NE2 2.74Å; L370-M385 HydrophobicContact CD2-CB 3.99Å; L370-R386 HydrophobicContact CD1-CB 4.25Å; L370-R386 HydrophobicContact CD1-CG 4.36Å; L370-I389 HydrophobicContact CD1-CD1 4.38Å; L370-I389 HydrophobicContact CD2-CD1 4.23Å; L370-I389 HydrophobicContact CG-CD1 4.15Å |
| 371 | S | 64.6 | Low | 67.4 | Low | 32 Ų | 32 | 72.8 Ų | 72.8 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.1 | 169.3 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | Q367 M368 L369 | Q367-S371 WeakPolarHBondContact O-CB 3.09Å; Q367-S371 PolarHBondContact O-N 2.83Å; Q367-S371 PolarHBondContact O-OG 3.23Å; M368-S371 WeakPolarHBondContact CA-OG 3.4Å; M368-S371 PolarHBondContact O-N 3.49Å; M368-S371 PolarHBondContact O-OG 3.47Å; L369-S371 VanDerWaalsContact C-N 3.27Å; L369-S371 PolarHBondContact O-N 3.38Å |
| 372 | H | 62 | Low | 67.4 | Low | 95 Ų | 95 | 71.7 Ų | 71.7 | 44% | 0.44 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -61.5 | 128.9 | 178.3 | -155.6 | -92.3 | 0 | 0 | 0 | 109.4 | M368 L369 L370 L374 L375 S376 | M368-H372 PolarHBondContact O-N 3.09Å; L369-H372 WeakPolarHBondContact O-CB 3.32Å; L369-H372 PolarHBondContact O-N 3.2Å; L369-H372 VanDerWaalsContact O-N 3.11Å; L370-H372 VanDerWaalsContact C-N 3.26Å; H372-L374 PolarHBondContact O-N 2.92Å; H372-L375 HydrophobicContact CB-CD1 4.36Å; H372-L375 PolarHBondContact O-N 2.86Å; H372-S376 PolarHBondContact O-N 3.18Å; H372-S376 VanDerWaalsContact O-N 3.13Å |
| 373 | P | 55.2 | Low | 67.9 | Low | 107 Ų | 107 | 72.7 Ų | 72.7 | 70% | 0.695 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18 | -174.3 | 19.3 | -30.2 | 0 | 0 | 0 | 113.6 | L375 | P373-L375 VanDerWaalsContact C-N 3.35Š|
| 374 | L | 59.8 | Low | 67.4 | Low | 133 Ų | 133 | 72.2 Ų | 72.2 | 70% | 0.696 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -22.3 | 172.3 | -60.9 | 177.6 | 0 | 0 | 0 | 113.9 | H372 | H372-L374 PolarHBondContact O-N 2.92Š|
| 375 | L | 66.1 | Low | 66.9 | Low | 29 Ų | 29 | 70.8 Ų | 70.8 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -22.9 | -172.8 | -65.1 | 171.5 | 0 | 0 | 0 | 112.8 | L369 H372 P373 G377 N378 L381 M385 | L369-L375 VanDerWaalsContact O-CD1 3.31Å; L369-L375 WeakPolarHBondContact O-CD1 3.36Å; H372-L375 HydrophobicContact CB-CD1 4.36Å; H372-L375 PolarHBondContact O-N 2.86Å; P373-L375 VanDerWaalsContact C-N 3.35Å; L375-G377 PolarHBondContact O-N 3.04Å; L375-N378 PolarHBondContact O-N 3.27Å; L375-N378 VanDerWaalsContact O-N 3.13Å; L375-L381 HydrophobicContact CD2-CD2 3.72Å; L375-L381 HydrophobicContact CD2-CG 4.34Å; L375-M385 HydrophobicContact CD1-SD 3.84Å; L375-M385 HydrophobicContact CD2-SD 4.44Å |
| 376 | S | 60.6 | Low | 67.1 | Low | 77 Ų | 77 | 77.2 Ų | 77.2 | 54% | 0.538 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.2 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 113.8 | H372 N378 | H372-S376 PolarHBondContact O-N 3.18Å; H372-S376 VanDerWaalsContact O-N 3.13Å; S376-N378 VanDerWaalsContact C-N 3.29Å; S376-N378 PolarHBondContact O-N 3.05Å |
| 377 | G | 62 | Low | 67.5 | Low | 78 Ų | 78 | 83 Ų | 83 | 80% | 0.804 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L375 | L375-G377 PolarHBondContact O-N 3.04Š|
| 378 | N | 67.9 | Low | 67.3 | Low | 81 Ų | 81 | 81.7 Ų | 81.7 | 43% | 0.433 | 44% | 0.436 | S | S | . | . | trans | -132 | 86.8 | -172.1 | -158.4 | -48.3 | 0 | 0 | 0 | 111.8 | L375 S376 Q380 L381 Q382 | L375-N378 PolarHBondContact O-N 3.27Å; L375-N378 VanDerWaalsContact O-N 3.13Å; S376-N378 VanDerWaalsContact C-N 3.29Å; S376-N378 PolarHBondContact O-N 3.05Å; N378-Q380 VanDerWaalsContact C-N 3.27Å; N378-Q380 PolarHBondContact O-N 2.89Å; N378-L381 HydrophobicContact CB-CB 3.91Å; N378-L381 PolarHBondContact O-N 3.46Å; N378-L381 VanDerWaalsContact O-N 3.15Å; N378-L381 WeakPolarHBondContact OD1-CB 3.16Å; N378-L381 PolarHBondContact OD1-N 3.02Å; N378-L381 VanDerWaalsContact OD1-N 3.1Å; N378-Q382 WeakPolarHBondContact O-CB 3.44Å; N378-Q382 PolarHBondContact O-N 2.96Å | ||
| 379 | V | 72.6 | Confident | 67.4 | Low | 108 Ų | 108 | 79.6 Ų | 79.6 | 66% | 0.655 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59 | -33 | -178 | 170.5 | 0 | 0 | 0 | 0 | 112.9 | E383 | V379-E383 PolarHBondContact O-N 3Å |
| 380 | Q | 75.9 | Confident | 67.6 | Low | 168 Ų | 168 | 81.8 Ų | 81.8 | 79% | 0.785 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.4 | -41.6 | 176.2 | -88.3 | 170.6 | 1.2 | 0 | 0 | 112.1 | N378 Q382 E383 Q384 | N378-Q380 VanDerWaalsContact C-N 3.27Å; N378-Q380 PolarHBondContact O-N 2.89Å; Q380-Q382 VanDerWaalsContact C-N 3.31Å; Q380-E383 PolarHBondContact O-N 3.17Å; Q380-Q384 PolarHBondContact O-N 3.39Å; Q380-Q384 VanDerWaalsContact O-N 3.08Å |
| 381 | L | 69.6 | Low | 67.9 | Low | 60 Ų | 60 | 85.2 Ų | 85.2 | 31% | 0.314 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.7 | -33 | 175.1 | -172.9 | 63.8 | 0 | 0 | 0 | 111.8 | L375 N378 Q384 M385 | L375-L381 HydrophobicContact CD2-CD2 3.72Å; L375-L381 HydrophobicContact CD2-CG 4.34Å; N378-L381 HydrophobicContact CB-CB 3.91Å; N378-L381 PolarHBondContact O-N 3.46Å; N378-L381 VanDerWaalsContact O-N 3.15Å; N378-L381 WeakPolarHBondContact OD1-CB 3.16Å; N378-L381 PolarHBondContact OD1-N 3.02Å; N378-L381 VanDerWaalsContact OD1-N 3.1Å; L381-Q384 PolarHBondContact O-N 2.91Å; L381-M385 WeakPolarHBondContact O-CB 3.45Å; L381-M385 PolarHBondContact O-N 2.84Å |
| 382 | Q | 68.7 | Low | 68.2 | Low | 56 Ų | 56 | 85 Ų | 85 | 26% | 0.262 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 174.7 | 174.1 | 167.6 | 77.5 | 0 | 0 | 111.4 | L370 N378 Q380 R386 | L370-Q382 HydrophobicContact CB-CG 4.11Å; L370-Q382 HydrophobicContact CD1-CG 3.86Å; L370-Q382 HydrophobicContact CD2-CB 4.11Å; L370-Q382 HydrophobicContact CD2-CG 3.66Å; L370-Q382 HydrophobicContact CG-CG 4.03Å; L370-Q382 PolarHBondContact O-NE2 2.74Å; N378-Q382 WeakPolarHBondContact O-CB 3.44Å; N378-Q382 PolarHBondContact O-N 2.96Å; Q380-Q382 VanDerWaalsContact C-N 3.31Å; Q382-R386 WeakPolarHBondContact O-CB 3.37Å; Q382-R386 PolarHBondContact O-N 2.86Å |
| 383 | E | 74.3 | Confident | 68.7 | Low | 84 Ų | 84 | 81.1 Ų | 81.1 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.4 | -36.4 | 176.7 | -162.8 | 61.2 | -147 | 0 | 0 | 112.2 | V379 Q380 R386 Q387 | V379-E383 PolarHBondContact O-N 3Å; Q380-E383 PolarHBondContact O-N 3.17Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.12Å; E383-R386 IonicContact OE1-CZ 2.99Å; E383-R386 IonicContact OE1-NE 3.57Å; E383-R386 PolarHBondContact OE1-NE 3.47Å; E383-R386 IonicContact OE1-NH2 3.21Å; E383-R386 PolarHBondContact OE1-NH2 3.36Å; E383-R386 IonicContact OE2-NE 2.73Å; E383-Q387 PolarHBondContact O-N 2.89Å |
| 384 | Q | 68.6 | Low | 69.4 | Low | 127 Ų | 127 | 83.1 Ų | 83.1 | 59% | 0.593 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.2 | -44.1 | 174.1 | -176 | -175.6 | -31.7 | 0 | 0 | 111.8 | Q380 L381 R386 Q387 H388 | Q380-Q384 PolarHBondContact O-N 3.39Å; Q380-Q384 VanDerWaalsContact O-N 3.08Å; L381-Q384 PolarHBondContact O-N 2.91Å; Q384-R386 VanDerWaalsContact C-N 3.32Å; Q384-R386 PolarHBondContact O-N 3Å; Q384-Q387 PolarHBondContact O-N 3.04Å; Q384-H388 PolarHBondContact O-N 3.02Å; Q384-H388 VanDerWaalsContact O-N 3.12Å |
| 385 | M | 63.8 | Low | 69.6 | Low | 32 Ų | 32 | 80.6 Ų | 80.6 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | 174.4 | -89.9 | -137.9 | 84.7 | 0 | 0 | 111.1 | L369 L370 L375 L381 Q387 H388 I389 F392 | L369-M385 HydrophobicContact CD2-CE 4.03Å; L369-M385 HydrophobicContact CD2-SD 4.46Å; L370-M385 HydrophobicContact CD2-CB 3.99Å; L375-M385 HydrophobicContact CD1-SD 3.84Å; L375-M385 HydrophobicContact CD2-SD 4.44Å; L381-M385 WeakPolarHBondContact O-CB 3.45Å; L381-M385 PolarHBondContact O-N 2.84Å; M385-Q387 PolarHBondContact O-N 3.14Å; M385-H388 CarbonylContact O-C 3.56Å; M385-H388 PolarHBondContact O-N 2.91Å; M385-I389 HydrophobicContact CB-CD1 4.46Å; M385-I389 HydrophobicContact CE-CG1 4.44Å; M385-I389 WeakPolarHBondContact O-CB 3.24Å; M385-I389 WeakPolarHBondContact O-CD1 3.28Å; M385-I389 WeakPolarHBondContact O-CG1 3.15Å; M385-I389 PolarHBondContact O-N 3.21Å; M385-F392 HydrophobicContact CE-CD1 4.38Å; M385-F392 HydrophobicContact CE-CG 4.36Å |
| 386 | R | 75 | Confident | 69.3 | Low | 135 Ų | 135 | 80.4 Ų | 80.4 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -55 | -37.4 | 176 | -163 | 176.1 | 77.2 | 111.4 | -1.2 | 112 | L370 Q382 E383 Q384 | L370-R386 HydrophobicContact CD1-CB 4.25Å; L370-R386 HydrophobicContact CD1-CG 4.36Å; Q382-R386 WeakPolarHBondContact O-CB 3.37Å; Q382-R386 PolarHBondContact O-N 2.86Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.12Å; E383-R386 IonicContact OE1-CZ 2.99Å; E383-R386 IonicContact OE1-NE 3.57Å; E383-R386 PolarHBondContact OE1-NE 3.47Å; E383-R386 IonicContact OE1-NH2 3.21Å; E383-R386 PolarHBondContact OE1-NH2 3.36Å; E383-R386 IonicContact OE2-NE 2.73Å; Q384-R386 VanDerWaalsContact C-N 3.32Å; Q384-R386 PolarHBondContact O-N 3Å |
| 387 | Q | 74.5 | Confident | 69.6 | Low | 132 Ų | 132 | 83.3 Ų | 83.3 | 62% | 0.617 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -78.1 | -29.6 | 175.8 | -62.9 | -174.5 | 11.5 | 0 | 0 | 113.3 | E383 Q384 M385 P390 | E383-Q387 PolarHBondContact O-N 2.89Å; Q384-Q387 PolarHBondContact O-N 3.04Å; M385-Q387 PolarHBondContact O-N 3.14Å; Q387-P390 WeakPolarHBondContact O-CD 3.3Å |
| 388 | H | 66.5 | Low | 69.6 | Low | 86 Ų | 86 | 83.9 Ų | 83.9 | 40% | 0.398 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -89.4 | -14.8 | -179.9 | -164.9 | -108.9 | 0 | 0 | 0 | 113.7 | Q384 M385 P390 L391 F392 | Q384-H388 PolarHBondContact O-N 3.02Å; Q384-H388 VanDerWaalsContact O-N 3.12Å; M385-H388 CarbonylContact O-C 3.56Å; M385-H388 PolarHBondContact O-N 2.91Å; H388-P390 VanDerWaalsContact C-CD 3.45Å; H388-L391 CarbonylContact O-C 3.51Å; H388-L391 PolarHBondContact O-N 2.98Å; H388-L391 VanDerWaalsContact O-N 3.09Å; H388-F392 WeakPolarHBondContact O-CB 3.13Å; H388-F392 PolarHBondContact O-N 3.16Å |
| 389 | I | 69.6 | Low | 69.7 | Low | 3 Ų | 3 | 82.3 Ų | 82.3 | 2% | 0.015 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -55.1 | -42 | -179.1 | -87.1 | 153.7 | 0 | 0 | 0 | 113.4 | A366 L370 M385 L391 F392 L393 | A366-I389 HydrophobicContact CB-CD1 3.74Å; A366-I389 HydrophobicContact CB-CG2 4.3Å; L370-I389 HydrophobicContact CD1-CD1 4.38Å; L370-I389 HydrophobicContact CD2-CD1 4.23Å; L370-I389 HydrophobicContact CG-CD1 4.15Å; M385-I389 HydrophobicContact CB-CD1 4.46Å; M385-I389 HydrophobicContact CE-CG1 4.44Å; M385-I389 WeakPolarHBondContact O-CB 3.24Å; M385-I389 WeakPolarHBondContact O-CD1 3.28Å; M385-I389 WeakPolarHBondContact O-CG1 3.15Å; M385-I389 PolarHBondContact O-N 3.21Å; I389-L391 VanDerWaalsContact C-N 3.3Å; I389-L391 PolarHBondContact O-N 3.09Å; I389-F392 PolarHBondContact O-N 3.29Å; I389-L393 HydrophobicContact CG2-CD1 3.81Å; I389-L393 HydrophobicContact CG2-CG 4.29Å; I389-L393 WeakPolarHBondContact O-CB 3.3Å; I389-L393 WeakPolarHBondContact O-CG 3.48Å; I389-L393 PolarHBondContact O-N 3.07Å |
| 390 | P | 72.7 | Confident | 69.4 | Low | 77 Ų | 77 | 85 Ų | 85 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -38 | 177.3 | -20.7 | 31.8 | 0 | 0 | 0 | 112.4 | Q387 H388 K394 | Q387-P390 WeakPolarHBondContact O-CD 3.3Å; H388-P390 VanDerWaalsContact C-CD 3.45Å; P390-K394 WeakPolarHBondContact O-CB 3.39Å; P390-K394 PolarHBondContact O-N 2.87Å |
| 391 | L | 76.6 | Confident | 69 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 47% | 0.466 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.4 | -39.3 | 175.1 | -65.7 | 178.4 | 0 | 0 | 0 | 111.2 | H388 I389 K394 Q395 | H388-L391 CarbonylContact O-C 3.51Å; H388-L391 PolarHBondContact O-N 2.98Å; H388-L391 VanDerWaalsContact O-N 3.09Å; I389-L391 VanDerWaalsContact C-N 3.3Å; I389-L391 PolarHBondContact O-N 3.09Å; L391-K394 CarbonylContact O-C 3.59Å; L391-K394 WeakPolarHBondContact O-CB 3.42Å; L391-K394 PolarHBondContact O-N 3.3Å; L391-Q395 VanDerWaalsContact O-CB 3.24Å; L391-Q395 WeakPolarHBondContact O-CB 3.47Å; L391-Q395 PolarHBondContact O-N 3.2Å |
| 392 | F | 71.3 | Confident | 68.8 | Low | 27 Ų | 27 | 77.6 Ų | 77.6 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 177.8 | 179.3 | -103.9 | 0 | 0 | 0 | 112.6 | L369 M385 H388 I389 K394 Q395 M396 M405 | L369-F392 HydrophobicContact CD1-CD1 4.43Å; L369-F392 HydrophobicContact CD1-CE1 4.25Å; L369-F392 HydrophobicContact CD2-CD1 4.22Å; L369-F392 HydrophobicContact CD2-CE1 3.7Å; L369-F392 HydrophobicContact CD2-CZ 4.47Å; M385-F392 HydrophobicContact CE-CD1 4.38Å; M385-F392 HydrophobicContact CE-CG 4.36Å; H388-F392 WeakPolarHBondContact O-CB 3.13Å; H388-F392 PolarHBondContact O-N 3.16Å; I389-F392 PolarHBondContact O-N 3.29Å; F392-K394 VanDerWaalsContact C-N 3.32Å; F392-Q395 CarbonylContact O-C 3.53Å; F392-Q395 WeakPolarHBondContact O-CB 3.27Å; F392-Q395 PolarHBondContact O-N 2.78Å; F392-M396 HydrophobicContact CD1-CE 4.26Å; F392-M396 HydrophobicContact CD1-CG 4.25Å; F392-M396 HydrophobicContact CD2-CG 4.46Å; F392-M396 HydrophobicContact CE1-CE 3.49Å; F392-M396 VanDerWaalsContact CE1-CE 3.49Å; F392-M396 HydrophobicContact CE1-CG 3.79Å; F392-M396 HydrophobicContact CE1-SD 3.71Å; F392-M396 HydrophobicContact CE2-CG 4.01Å; F392-M396 HydrophobicContact CE2-SD 4.45Å; F392-M396 HydrophobicContact CZ-CE 4.03Å; F392-M396 HydrophobicContact CZ-CG 3.65Å; F392-M396 HydrophobicContact CZ-SD 3.59Å; F392-M396 VanDerWaalsContact CZ-SD 3.59Å; F392-M396 WeakPolarHBondContact O-CB 3.39Å; F392-M396 WeakPolarHBondContact O-CG 3.44Å; F392-M396 PolarHBondContact O-N 2.93Å; F392-M405 HydrophobicContact CE2-SD 4.36Å; F392-M405 HydrophobicContact CZ-CE 4.25Å; F392-M405 HydrophobicContact CZ-SD 3.87Å |
| 393 | L | 71.4 | Confident | 68.6 | Low | 15 Ų | 15 | 78.6 Ų | 78.6 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.2 | -77.6 | 168.5 | 0 | 0 | 0 | 110.9 | L358 P362 A365 I389 Q395 M396 Q397 | L358-L393 HydrophobicContact CB-CD2 4.26Å; P362-L393 HydrophobicContact CB-CD1 4.45Å; A365-L393 HydrophobicContact CB-CD1 3.73Å; A365-L393 HydrophobicContact CB-CD2 4.04Å; A365-L393 HydrophobicContact CB-CG 4.4Å; I389-L393 HydrophobicContact CG2-CD1 3.81Å; I389-L393 HydrophobicContact CG2-CG 4.29Å; I389-L393 WeakPolarHBondContact O-CB 3.3Å; I389-L393 WeakPolarHBondContact O-CG 3.48Å; I389-L393 PolarHBondContact O-N 3.07Å; L393-Q395 VanDerWaalsContact C-N 3.28Å; L393-Q395 PolarHBondContact O-N 2.88Å; L393-M396 PolarHBondContact O-N 3.2Å; L393-Q397 PolarHBondContact O-N 2.83Å |
| 394 | K | 70.1 | Confident | 68.1 | Low | 149 Ų | 149 | 80.2 Ų | 80.2 | 65% | 0.648 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66 | -32.6 | 174.1 | -171.4 | 167.9 | 179.8 | 170.4 | 0 | 112.3 | P390 L391 F392 Q397 | P390-K394 WeakPolarHBondContact O-CB 3.39Å; P390-K394 PolarHBondContact O-N 2.87Å; L391-K394 CarbonylContact O-C 3.59Å; L391-K394 WeakPolarHBondContact O-CB 3.42Å; L391-K394 PolarHBondContact O-N 3.3Å; F392-K394 VanDerWaalsContact C-N 3.32Å; K394-Q397 WeakPolarHBondContact O-CB 3.48Å |
| 395 | Q | 64 | Low | 67.6 | Low | 80 Ų | 80 | 78.7 Ų | 78.7 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76.2 | -38.7 | 176.7 | -167.4 | 99.4 | 21.7 | 0 | 0 | 111.5 | L391 F392 L393 Q397 N398 L401 | L391-Q395 VanDerWaalsContact O-CB 3.24Å; L391-Q395 WeakPolarHBondContact O-CB 3.47Å; L391-Q395 PolarHBondContact O-N 3.2Å; F392-Q395 CarbonylContact O-C 3.53Å; F392-Q395 WeakPolarHBondContact O-CB 3.27Å; F392-Q395 PolarHBondContact O-N 2.78Å; L393-Q395 VanDerWaalsContact C-N 3.28Å; L393-Q395 PolarHBondContact O-N 2.88Å; Q395-Q397 VanDerWaalsContact C-N 3.26Å; Q395-Q397 PolarHBondContact O-N 2.87Å; Q395-N398 WeakPolarHBondContact O-CB 3.21Å; Q395-N398 PolarHBondContact O-N 2.74Å; Q395-N398 PolarHBondContact O-ND2 3.43Å; Q395-N398 VanDerWaalsContact O-ND2 3.1Å; Q395-L401 HydrophobicContact CB-CD2 4Å; Q395-L401 HydrophobicContact CG-CD2 3.17Å |
| 396 | M | 59.1 | Low | 67.8 | Low | 25 Ų | 25 | 81.1 Ų | 81.1 | 12% | 0.123 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.7 | -20.9 | 175.2 | -79.1 | -136.8 | -65.2 | 0 | 0 | 113 | L355 F392 L393 N398 L402 M405 | L355-M396 HydrophobicContact CD1-CB 4.12Å; L355-M396 HydrophobicContact CD1-CE 3.84Å; F392-M396 HydrophobicContact CD1-CE 4.26Å; F392-M396 HydrophobicContact CD1-CG 4.25Å; F392-M396 HydrophobicContact CD2-CG 4.46Å; F392-M396 HydrophobicContact CE1-CE 3.49Å; F392-M396 VanDerWaalsContact CE1-CE 3.49Å; F392-M396 HydrophobicContact CE1-CG 3.79Å; F392-M396 HydrophobicContact CE1-SD 3.71Å; F392-M396 HydrophobicContact CE2-CG 4.01Å; F392-M396 HydrophobicContact CE2-SD 4.45Å; F392-M396 HydrophobicContact CZ-CE 4.03Å; F392-M396 HydrophobicContact CZ-CG 3.65Å; F392-M396 HydrophobicContact CZ-SD 3.59Å; F392-M396 VanDerWaalsContact CZ-SD 3.59Å; F392-M396 WeakPolarHBondContact O-CB 3.39Å; F392-M396 WeakPolarHBondContact O-CG 3.44Å; F392-M396 PolarHBondContact O-N 2.93Å; L393-M396 PolarHBondContact O-N 3.2Å; M396-N398 PolarHBondContact O-N 3.34Å; M396-L402 HydrophobicContact CB-CD1 4.12Å; M396-L402 HydrophobicContact CG-CD1 4.4Å; M396-L402 HydrophobicContact SD-CD1 3.82Å; M396-M405 HydrophobicContact SD-SD 4.13Å |
| 397 | Q | 66.7 | Low | 67.3 | Low | 138 Ų | 138 | 78.2 Ų | 78.2 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.3 | 165.5 | -168.3 | 174.6 | 84.1 | 0 | 0 | 111.8 | L393 K394 Q395 G399 | L393-Q397 PolarHBondContact O-N 2.83Å; K394-Q397 WeakPolarHBondContact O-CB 3.48Å; Q395-Q397 VanDerWaalsContact C-N 3.26Å; Q395-Q397 PolarHBondContact O-N 2.87Å; Q397-G399 PolarHBondContact O-N 2.84Å |
| 398 | N | 63.5 | Low | 67.1 | Low | 89 Ų | 89 | 76.3 Ų | 76.3 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -75.7 | 109.7 | 166.2 | -60.6 | -65.2 | 0 | 0 | 0 | 109.8 | Q395 M396 E400 L401 L402 | Q395-N398 WeakPolarHBondContact O-CB 3.21Å; Q395-N398 PolarHBondContact O-N 2.74Å; Q395-N398 PolarHBondContact O-ND2 3.43Å; Q395-N398 VanDerWaalsContact O-ND2 3.1Å; M396-N398 PolarHBondContact O-N 3.34Å; N398-E400 PolarHBondContact O-N 2.98Å; N398-L401 PolarHBondContact O-N 3.46Å; N398-L402 PolarHBondContact O-N 3.05Å |
| 399 | G | 69.4 | Low | 67.6 | Low | 49 Ų | 49 | 81.9 Ų | 81.9 | 51% | 0.505 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.2 | -21.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q397 S403 | Q397-G399 PolarHBondContact O-N 2.84Å; G399-S403 WeakPolarHBondContact O-CB 3.26Å; G399-S403 PolarHBondContact O-N 2.8Å; G399-S403 VanDerWaalsContact O-N 3.08Å; G399-S403 PolarHBondContact O-OG 2.8Å |
| 400 | E | 65.8 | Low | 67.6 | Low | 163 Ų | 163 | 83 Ų | 83 | 76% | 0.762 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -73 | -40.1 | 175.3 | -121.5 | -175.4 | 104.7 | 0 | 0 | 112.9 | N398 S403 M404 | N398-E400 PolarHBondContact O-N 2.98Å; E400-S403 PolarHBondContact O-N 3.27Å; E400-M404 PolarHBondContact O-N 3.34Å; E400-M404 VanDerWaalsContact O-N 3.07Å |
| 401 | L | 68.4 | Low | 67.2 | Low | 52 Ų | 52 | 84 Ų | 84 | 27% | 0.272 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.8 | -38.8 | 175.7 | 179.2 | 65.5 | 0 | 0 | 0 | 110.9 | Q395 N398 S403 M404 M405 | Q395-L401 HydrophobicContact CB-CD2 4Å; Q395-L401 HydrophobicContact CG-CD2 3.17Å; N398-L401 PolarHBondContact O-N 3.46Å; L401-S403 VanDerWaalsContact C-N 3.25Å; L401-S403 PolarHBondContact O-N 3.21Å; L401-M404 PolarHBondContact O-N 3.17Å; L401-M405 WeakPolarHBondContact O-CB 3.4Å; L401-M405 PolarHBondContact O-N 3.37Å |
| 402 | L | 64.6 | Low | 67.2 | Low | 22 Ų | 22 | 86.5 Ų | 86.5 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 174.4 | -151.6 | 95.5 | 0 | 0 | 0 | 109.6 | I351 L355 M396 N398 M404 M405 L406 | I351-L402 HydrophobicContact CD1-CD2 4.08Å; I351-L402 HydrophobicContact CG2-CD2 4.1Å; L355-L402 HydrophobicContact CD1-CD1 4.15Å; M396-L402 HydrophobicContact CB-CD1 4.12Å; M396-L402 HydrophobicContact CG-CD1 4.4Å; M396-L402 HydrophobicContact SD-CD1 3.82Å; N398-L402 PolarHBondContact O-N 3.05Å; L402-M404 VanDerWaalsContact C-N 3.33Å; L402-M404 PolarHBondContact O-N 3.37Å; L402-M405 PolarHBondContact O-N 3.4Å; L402-L406 HydrophobicContact CB-CD1 4.29Å; L402-L406 HydrophobicContact CD2-CD1 3.57Å; L402-L406 HydrophobicContact CG-CD1 3.7Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 WeakPolarHBondContact O-CD1 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.26Å; L402-L406 PolarHBondContact O-N 3.06Å |
| 403 | S | 64.3 | Low | 67.2 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 54% | 0.538 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -33.9 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 113.4 | G399 E400 L401 N407 | G399-S403 WeakPolarHBondContact O-CB 3.26Å; G399-S403 PolarHBondContact O-N 2.8Å; G399-S403 VanDerWaalsContact O-N 3.08Å; G399-S403 PolarHBondContact O-OG 2.8Å; E400-S403 PolarHBondContact O-N 3.27Å; L401-S403 VanDerWaalsContact C-N 3.25Å; L401-S403 PolarHBondContact O-N 3.21Å; S403-N407 WeakPolarHBondContact O-CB 3.38Å; S403-N407 PolarHBondContact O-N 3.21Å |
| 404 | M | 64.5 | Low | 67 | Low | 117 Ų | 117 | 91.8 Ų | 91.8 | 58% | 0.576 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71 | -38.7 | 173.2 | -174 | -175.8 | -67.5 | 0 | 0 | 111.7 | E400 L401 L402 N407 A410 | E400-M404 PolarHBondContact O-N 3.34Å; E400-M404 VanDerWaalsContact O-N 3.07Å; L401-M404 PolarHBondContact O-N 3.17Å; L402-M404 VanDerWaalsContact C-N 3.33Å; L402-M404 PolarHBondContact O-N 3.37Å; M404-N407 WeakPolarHBondContact O-CB 3.4Å; M404-N407 PolarHBondContact O-N 3Å; M404-A410 HydrophobicContact CG-CB 3.96Å; M404-A410 VanDerWaalsContact O-CB 3.28Å; M404-A410 WeakPolarHBondContact O-CB 3.45Å |
| 405 | M | 58.3 | Low | 67.1 | Low | 95 Ų | 95 | 89.6 Ų | 89.6 | 47% | 0.468 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76.8 | -31.2 | 179.8 | -161.6 | 177.5 | 160.7 | 0 | 0 | 112.5 | F392 M396 L401 L402 N407 | F392-M405 HydrophobicContact CE2-SD 4.36Å; F392-M405 HydrophobicContact CZ-CE 4.25Å; F392-M405 HydrophobicContact CZ-SD 3.87Å; M396-M405 HydrophobicContact SD-SD 4.13Å; L401-M405 WeakPolarHBondContact O-CB 3.4Å; L401-M405 PolarHBondContact O-N 3.37Å; L402-M405 PolarHBondContact O-N 3.4Å; M405-N407 PolarHBondContact O-N 3.3Å |
| 406 | L | 67.9 | Low | 67.8 | Low | 83 Ų | 83 | 93 Ų | 93 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -73.6 | -12.7 | 170.8 | -75.7 | 155.9 | 0 | 0 | 0 | 112.5 | I351 L402 P408 | I351-L406 HydrophobicContact CD1-CD1 4.49Å; I351-L406 HydrophobicContact CD1-CD2 4.32Å; L402-L406 HydrophobicContact CB-CD1 4.29Å; L402-L406 HydrophobicContact CD2-CD1 3.57Å; L402-L406 HydrophobicContact CG-CD1 3.7Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 WeakPolarHBondContact O-CD1 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.26Å; L402-L406 PolarHBondContact O-N 3.06Å; L406-P408 WeakPolarHBondContact O-CD 3.38Å |
| 407 | N | 64.6 | Low | 68.3 | Low | 75 Ų | 75 | 96.3 Ų | 96.3 | 40% | 0.401 | 50% | 0.504 | S | S | . | . | trans | -84.3 | 107 | 174.7 | -176.6 | -11.6 | 0 | 0 | 0 | 109.1 | S403 M404 M405 R409 A410 M411 | S403-N407 WeakPolarHBondContact O-CB 3.38Å; S403-N407 PolarHBondContact O-N 3.21Å; M404-N407 WeakPolarHBondContact O-CB 3.4Å; M404-N407 PolarHBondContact O-N 3Å; M405-N407 PolarHBondContact O-N 3.3Å; N407-R409 PolarHBondContact O-N 3.15Å; N407-R409 VanDerWaalsContact O-N 3.15Å; N407-R409 WeakPolarHBondContact OD1-CB 3.36Å; N407-R409 PolarHBondContact OD1-N 3.4Å; N407-R409 VanDerWaalsContact OD1-N 3.16Å; N407-A410 HydrophobicContact CB-CB 3.88Å; N407-A410 PolarHBondContact O-N 3.16Å; N407-M411 PolarHBondContact O-N 2.97Å; N407-M411 VanDerWaalsContact O-N 3.08Å | ||
| 408 | P | 69.3 | Low | 67.9 | Low | 92 Ų | 92 | 95.9 Ų | 95.9 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -32.5 | -176.1 | 23.9 | -34.1 | 0 | 0 | 0 | 112.3 | L406 M411 E412 | L406-P408 WeakPolarHBondContact O-CD 3.38Å; P408-M411 PolarHBondContact O-N 2.94Å; P408-E412 PolarHBondContact O-N 2.94Å |
| 409 | R | 78.4 | Confident | 68.3 | Low | 202 Ų | 202 | 97.9 Ų | 97.9 | 76% | 0.762 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -36.3 | 175.7 | -109.9 | -176.3 | -177.5 | -166.5 | 1.3 | 113 | N407 A413 | N407-R409 PolarHBondContact O-N 3.15Å; N407-R409 VanDerWaalsContact O-N 3.15Å; N407-R409 WeakPolarHBondContact OD1-CB 3.36Å; N407-R409 PolarHBondContact OD1-N 3.4Å; N407-R409 VanDerWaalsContact OD1-N 3.16Å; R409-A413 WeakPolarHBondContact O-CB 3.33Å; R409-A413 PolarHBondContact O-N 2.85Å |
| 410 | A | 68.4 | Low | 68.2 | Low | 27 Ų | 27 | 97.4 Ų | 97.4 | 22% | 0.223 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -74 | -34 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M404 N407 A413 L414 | M404-A410 HydrophobicContact CG-CB 3.96Å; M404-A410 VanDerWaalsContact O-CB 3.28Å; M404-A410 WeakPolarHBondContact O-CB 3.45Å; N407-A410 HydrophobicContact CB-CB 3.88Å; N407-A410 PolarHBondContact O-N 3.16Å; A410-A413 PolarHBondContact O-N 3.16Å; A410-L414 VanDerWaalsContact O-CB 3.25Å; A410-L414 WeakPolarHBondContact O-CB 3.08Å; A410-L414 PolarHBondContact O-N 2.8Å |
| 411 | M | 63.8 | Low | 68.1 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 48% | 0.478 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 172.5 | -160.8 | 174.5 | 82.5 | 0 | 0 | 111.9 | N407 P408 L414 L415 | N407-M411 PolarHBondContact O-N 2.97Å; N407-M411 VanDerWaalsContact O-N 3.08Å; P408-M411 PolarHBondContact O-N 2.94Å; M411-L414 PolarHBondContact O-N 3.38Å; M411-L415 WeakPolarHBondContact O-CB 3.44Å; M411-L415 PolarHBondContact O-N 2.81Å |
| 412 | E | 77.3 | Confident | 67.9 | Low | 142 Ų | 142 | 97.1 Ų | 97.1 | 66% | 0.664 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61 | -47.4 | 172.3 | -103.5 | 169.2 | 60.4 | 0 | 0 | 112.3 | P408 L414 L415 Q416 | P408-E412 PolarHBondContact O-N 2.94Å; E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L414 PolarHBondContact O-N 2.94Å; E412-L415 PolarHBondContact O-N 3.3Å; E412-Q416 WeakPolarHBondContact O-CB 3.29Å; E412-Q416 PolarHBondContact O-N 3.48Å |
| 413 | A | 71.9 | Confident | 67.9 | Low | 42 Ų | 42 | 99.8 Ų | 99.8 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R409 A410 Q416 I417 | R409-A413 WeakPolarHBondContact O-CB 3.33Å; R409-A413 PolarHBondContact O-N 2.85Å; A410-A413 PolarHBondContact O-N 3.16Å; A413-Q416 WeakPolarHBondContact O-CB 3.41Å; A413-Q416 PolarHBondContact O-N 2.5Å; A413-I417 VanDerWaalsContact O-CG1 3.25Å; A413-I417 WeakPolarHBondContact O-CG1 3.18Å; A413-I417 PolarHBondContact O-N 2.89Å |
| 414 | L | 66.6 | Low | 67.5 | Low | 112 Ų | 112 | 100.8 Ų | 100.8 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -38.4 | 178.3 | -170.4 | 67.5 | 0 | 0 | 0 | 111.9 | A410 M411 E412 Q416 I417 Q418 | A410-L414 VanDerWaalsContact O-CB 3.25Å; A410-L414 WeakPolarHBondContact O-CB 3.08Å; A410-L414 PolarHBondContact O-N 2.8Å; M411-L414 PolarHBondContact O-N 3.38Å; E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L414 PolarHBondContact O-N 2.94Å; L414-Q416 VanDerWaalsContact C-N 3.33Å; L414-I417 PolarHBondContact O-N 3.08Å; L414-Q418 WeakPolarHBondContact O-CB 3.35Å; L414-Q418 PolarHBondContact O-N 3.28Å |
| 415 | L | 72.1 | Confident | 66.9 | Low | 103 Ų | 103 | 97.4 Ų | 97.4 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 174.8 | -159.9 | 152.2 | 0 | 0 | 0 | 110.7 | M411 E412 Q418 Q419 | M411-L415 WeakPolarHBondContact O-CB 3.44Å; M411-L415 PolarHBondContact O-N 2.81Å; E412-L415 PolarHBondContact O-N 3.3Å; L415-Q418 PolarHBondContact O-N 3.19Å; L415-Q419 WeakPolarHBondContact O-CB 3.45Å; L415-Q419 PolarHBondContact O-N 3.48Å |
| 416 | Q | 77.8 | Confident | 66.8 | Low | 150 Ų | 150 | 96.8 Ų | 96.8 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | 173.9 | -164.1 | 171.9 | 22.7 | 0 | 0 | 112.4 | E412 A413 L414 G420 | E412-Q416 WeakPolarHBondContact O-CB 3.29Å; E412-Q416 PolarHBondContact O-N 3.48Å; A413-Q416 WeakPolarHBondContact O-CB 3.41Å; A413-Q416 PolarHBondContact O-N 2.5Å; L414-Q416 VanDerWaalsContact C-N 3.33Å; Q416-G420 PolarHBondContact O-N 3.07Å |
| 417 | I | 71.1 | Confident | 65.8 | Low | 96 Ų | 96 | 99 Ų | 99 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.6 | -41.9 | 175.9 | -70.7 | 163.7 | 0 | 0 | 0 | 111.4 | A413 L414 Q419 G420 L421 | A413-I417 VanDerWaalsContact O-CG1 3.25Å; A413-I417 WeakPolarHBondContact O-CG1 3.18Å; A413-I417 PolarHBondContact O-N 2.89Å; L414-I417 PolarHBondContact O-N 3.08Å; I417-Q419 VanDerWaalsContact C-N 3.26Å; I417-Q419 PolarHBondContact O-N 2.97Å; I417-G420 PolarHBondContact O-N 3.15Å; I417-G420 VanDerWaalsContact O-N 3.16Å; I417-L421 HydrophobicContact CG2-CD1 4.02Å; I417-L421 WeakPolarHBondContact O-CB 3.37Å; I417-L421 PolarHBondContact O-N 3.07Å |
| 418 | Q | 57.1 | Low | 64.6 | Low | 129 Ų | 129 | 97.8 Ų | 97.8 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.6 | -44.1 | 176 | -172.3 | -172.3 | 94.3 | 0 | 0 | 110 | L414 L415 Q422 | L414-Q418 WeakPolarHBondContact O-CB 3.35Å; L414-Q418 PolarHBondContact O-N 3.28Å; L415-Q418 PolarHBondContact O-N 3.19Å; Q418-Q422 WeakPolarHBondContact O-CB 3.32Å; Q418-Q422 PolarHBondContact O-N 2.84Å |
| 419 | Q | 71.9 | Confident | 63.7 | Low | 130 Ų | 130 | 98.2 Ų | 98.2 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.1 | -36 | 176.6 | -162.3 | 133.5 | 78.3 | 0 | 0 | 112.6 | L415 I417 T423 | L415-Q419 WeakPolarHBondContact O-CB 3.45Å; L415-Q419 PolarHBondContact O-N 3.48Å; I417-Q419 VanDerWaalsContact C-N 3.26Å; I417-Q419 PolarHBondContact O-N 2.97Å; Q419-T423 WeakPolarHBondContact O-CB 3.11Å; Q419-T423 PolarHBondContact O-N 3.02Å; Q419-T423 PolarHBondContact O-OG1 3.45Å |
| 420 | G | 67.9 | Low | 62.2 | Low | 40 Ų | 40 | 92.9 Ų | 92.9 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q416 I417 T423 L424 | Q416-G420 PolarHBondContact O-N 3.07Å; I417-G420 PolarHBondContact O-N 3.15Å; I417-G420 VanDerWaalsContact O-N 3.16Å; G420-T423 PolarHBondContact O-N 3.28Å; G420-L424 WeakPolarHBondContact O-CB 3.05Å; G420-L424 PolarHBondContact O-N 2.94Å |
| 421 | L | 64.6 | Low | 61.3 | Low | 77 Ų | 77 | 97 Ų | 97 | 40% | 0.403 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.3 | -36.2 | 176.8 | -85.4 | 168.3 | 0 | 0 | 0 | 112.3 | I417 T423 L424 A425 | I417-L421 HydrophobicContact CG2-CD1 4.02Å; I417-L421 WeakPolarHBondContact O-CB 3.37Å; I417-L421 PolarHBondContact O-N 3.07Å; L421-T423 VanDerWaalsContact C-N 3.29Å; L421-T423 PolarHBondContact O-N 3.18Å; L421-L424 PolarHBondContact O-N 3.41Å; L421-A425 WeakPolarHBondContact O-CB 3.37Å; L421-A425 PolarHBondContact O-N 3.3Å |
| 422 | Q | 64 | Low | 60.7 | Low | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.3 | -37.3 | 174.2 | -146.2 | 91.6 | 80.6 | 0 | 0 | 111.3 | Q418 A426 | Q418-Q422 WeakPolarHBondContact O-CB 3.32Å; Q418-Q422 PolarHBondContact O-N 2.84Å; Q422-A426 WeakPolarHBondContact O-CB 3.36Å; Q422-A426 PolarHBondContact O-N 2.89Å; Q422-A426 VanDerWaalsContact O-N 3.1Å |
| 423 | T | 63.6 | Low | 59.6 | Low | 78 Ų | 78 | 98.1 Ų | 98.1 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.6 | -42.6 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | Q419 G420 L421 A426 D427 | Q419-T423 WeakPolarHBondContact O-CB 3.11Å; Q419-T423 PolarHBondContact O-N 3.02Å; Q419-T423 PolarHBondContact O-OG1 3.45Å; G420-T423 PolarHBondContact O-N 3.28Å; L421-T423 VanDerWaalsContact C-N 3.29Å; L421-T423 PolarHBondContact O-N 3.18Å; T423-A426 PolarHBondContact O-N 3.47Å; T423-D427 PolarHBondContact O-N 3.32Å |
| 424 | L | 56 | Low | 58.5 | Low | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.4 | -34.9 | 179.2 | -160.6 | 71 | 0 | 0 | 0 | 112.9 | G420 L421 A426 T428 | G420-L424 WeakPolarHBondContact O-CB 3.05Å; G420-L424 PolarHBondContact O-N 2.94Å; L421-L424 PolarHBondContact O-N 3.41Å; L424-A426 VanDerWaalsContact C-N 3.32Å; L424-T428 PolarHBondContact O-N 2.75Å; L424-T428 PolarHBondContact O-OG1 3.02Å |
| 425 | A | 53.1 | Low | 57.6 | Low | 47 Ų | 47 | 101.1 Ų | 101.1 | 39% | 0.388 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.2 | -30.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L421 | L421-A425 WeakPolarHBondContact O-CB 3.37Å; L421-A425 PolarHBondContact O-N 3.3Å |
| 426 | A | 54.8 | Low | 56.2 | Low | 82 Ų | 82 | 98.6 Ų | 98.6 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -76.7 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q422 T423 L424 | Q422-A426 WeakPolarHBondContact O-CB 3.36Å; Q422-A426 PolarHBondContact O-N 2.89Å; Q422-A426 VanDerWaalsContact O-N 3.1Å; T423-A426 PolarHBondContact O-N 3.47Å; L424-A426 VanDerWaalsContact C-N 3.32Å |
| 427 | D | 48.1 | Very low | 54.7 | Low | 129 Ų | 129 | 98.2 Ų | 98.2 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -89.1 | -25.4 | -175.4 | -97.5 | -25.8 | 0 | 0 | 0 | 114.6 | T423 | T423-D427 PolarHBondContact O-N 3.32Å |
| 428 | T | 39.1 | Very low | 53.5 | Low | 50 Ų | 50 | 96.9 Ų | 96.9 | 31% | 0.307 | 60% | 0.603 | S | S | . | * | trans | -147.2 | 80 | -177.2 | 39.2 | 0 | 0 | 0 | 0 | 113.7 | L424 S430 L431 | L424-T428 PolarHBondContact O-N 2.75Å; L424-T428 PolarHBondContact O-OG1 3.02Å; T428-S430 PolarHBondContact O-N 2.77Å; T428-L431 HydrophobicContact CG2-CD1 4.12Å; T428-L431 HydrophobicContact CG2-CG 4.47Å | ||
| 429 | P | 50.7 | Low | 52.5 | Low | 101 Ų | 101 | 97.3 Ų | 97.3 | 66% | 0.656 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -2.9 | 174.3 | 25.9 | -33.5 | 0 | 0 | 0 | 114.4 | ||
| 430 | S | 47.1 | Very low | 50.9 | Low | 89 Ų | 89 | 96.8 Ų | 96.8 | 62% | 0.622 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -10.5 | -171.8 | -39.6 | 0 | 0 | 0 | 0 | 115.1 | T428 | T428-S430 PolarHBondContact O-N 2.77Š|
| 431 | L | 49 | Very low | 49.3 | Very low | 115 Ų | 115 | 99.9 Ų | 99.9 | 60% | 0.602 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -88.8 | -11.9 | -175.6 | -66.3 | -179.1 | 0 | 0 | 0 | 113.8 | T428 T433 | T428-L431 HydrophobicContact CG2-CD1 4.12Å; T428-L431 HydrophobicContact CG2-CG 4.47Å; L431-T433 VanDerWaalsContact C-N 3.26Å; L431-T433 PolarHBondContact O-N 2.78Å |
| 432 | M | 51.7 | Low | 47.8 | Very low | 139 Ų | 139 | 99.7 Ų | 99.7 | 69% | 0.685 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -15.5 | 176 | -65.2 | -169.8 | 178.5 | 0 | 0 | 113.3 | ||
| 433 | T | 52.8 | Low | 46.2 | Very low | 122 Ų | 122 | 99.5 Ų | 99.5 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -10.5 | -179.4 | -39.6 | 0 | 0 | 0 | 0 | 113.7 | L431 | L431-T433 VanDerWaalsContact C-N 3.26Å; L431-T433 PolarHBondContact O-N 2.78Å |
| 434 | V | 49.8 | Very low | 44.6 | Very low | 125 Ų | 125 | 99.7 Ų | 99.7 | 76% | 0.758 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -92.1 | -12.5 | -175.1 | 155.5 | 0 | 0 | 0 | 0 | 114.1 | G436 | V434-G436 PolarHBondContact O-N 2.85Š|
| 435 | A | 47.1 | Very low | 43.3 | Very low | 93 Ų | 93 | 104.3 Ų | 104.3 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -97.5 | 29.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 436 | G | 43.3 | Very low | 42.2 | Very low | 49 Ų | 49 | 110.7 Ų | 110.7 | 51% | 0.505 | 73% | 0.727 | S | S | . | * | trans | -73.7 | 134.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | V434 G438 | V434-G436 PolarHBondContact O-N 2.85Å; G436-G438 PolarHBondContact O-N 2.75Å; G436-G438 VanDerWaalsContact O-N 3.09Å | ||
| 437 | P | 46.2 | Very low | 42 | Very low | 142 Ų | 142 | 111.3 Ų | 111.3 | 92% | 0.922 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -73.6 | 105.2 | 178.6 | 29.7 | -30.4 | 0 | 0 | 0 | 109.1 | ||
| 438 | G | 46.5 | Very low | 41 | Very low | 68 Ų | 68 | 110.5 Ų | 110.5 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 149.8 | 55.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116 | G436 | G436-G438 PolarHBondContact O-N 2.75Å; G436-G438 VanDerWaalsContact O-N 3.09Å | ||
| 439 | T | 36.2 | Very low | 40.6 | Very low | 138 Ų | 138 | 115.5 Ų | 115.5 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -134.8 | 94.9 | 156.9 | 63.3 | 0 | 0 | 0 | 0 | 110 | A441 | T439-A441 PolarHBondContact O-N 3.38Š| ||
| 440 | S | 37.8 | Very low | 40.4 | Very low | 119 Ų | 119 | 115.5 Ų | 115.5 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -74.1 | 112.2 | 168.5 | 51.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 441 | A | 34.7 | Very low | 39.5 | Very low | 106 Ų | 106 | 117.3 Ų | 117.3 | 88% | 0.876 | 77% | 0.766 | S | S | * | * | trans | -69 | 129.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | T439 | T439-A441 PolarHBondContact O-N 3.38Š| ||
| 442 | G | 32.3 | Very low | 38.8 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -83.8 | 163.8 | -162.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 443 | S | 29.5 | Very low | 37.7 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -155.1 | 134.1 | 140 | -120.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 444 | A | 30.5 | Very low | 36.7 | Very low | 83 Ų | 83 | 121 Ų | 121 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | 68.4 | 101.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 445 | Q | 30 | Very low | 35.8 | Very low | 194 Ų | 194 | 123.9 Ų | 123.9 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | 51.1 | 113.5 | 125.1 | -69.3 | 172.8 | -55.3 | 0 | 0 | 121 | |||||
| 446 | H | 30.1 | Very low | 35.1 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | 175.8 | 147.6 | 102.5 | -162.4 | -100.5 | 0 | 0 | 0 | 111.2 | |||||
| 447 | P | 49 | Very low | 34.3 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 62% | 0.623 | 80% | 0.801 | S | S | * | * | trans | -104.8 | -177.4 | -168.2 | 39.1 | -30.5 | 0 | 0 | 0 | 115.5 | ||||
| 448 | S | 27.6 | Very low | 33.4 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 101.8 | 132.8 | 170.4 | -56.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 449 | D | 30.9 | Very low | 32.8 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | cis | -164.9 | 164.8 | -5.4 | -132.7 | -25.1 | 0 | 0 | 0 | 105.6 | ||||
| 450 | P | 46.5 | Very low | 32.8 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -98.1 | 156.7 | -169.9 | 38.7 | -32.4 | 0 | 0 | 0 | 112.6 | ||||
| 451 | S | 28.8 | Very low | 32.6 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -163.7 | 134 | 149 | -84.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 452 | L | 33.5 | Very low | 33.1 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -54.2 | 143.1 | -177 | -67.4 | 144.7 | 0 | 0 | 0 | 115.6 | ||||
| 453 | N | 28.1 | Very low | 33.2 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | -151.9 | 126 | 123.8 | -156.7 | 5.9 | 0 | 0 | 0 | 110.8 | |||||
| 454 | N | 32.8 | Very low | 33.8 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -116.1 | 114 | -176.1 | -171.7 | 20.9 | 0 | 0 | 0 | 106.9 | ||||
| 455 | Q | 30.9 | Very low | 34.4 | Very low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -142.3 | 138.2 | 154 | -75.5 | -162.7 | 53.4 | 0 | 0 | 110.1 | ||||
| 456 | T | 32.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -100.7 | 149.3 | -149.3 | -43.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 457 | G | 26.2 | Very low | 36.9 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -171.3 | 63.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 458 | C | 26.6 | Very low | 37.1 | Very low | 123 Ų | 123 | 131 Ų | 131 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | 42.6 | 93 | 153.8 | -58.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 459 | R | 33.9 | Very low | 38.6 | Very low | 197 Ų | 197 | 130.7 Ų | 130.7 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | -92 | 129.8 | 150.1 | 168.7 | 177.5 | 152.6 | 171.4 | -9 | 108.5 | Q461 D462 | R459-Q461 PolarHBondContact O-N 2.91Å; R459-D462 IonicContact NH2-OD2 3Å; R459-D462 PolarHBondContact NH2-OD2 3.28Å | ||
| 460 | P | 36.8 | Very low | 40.2 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | trans | -72.6 | 123.3 | 159.4 | -9.3 | 26.3 | 0 | 0 | 0 | 109 | ||||
| 461 | Q | 34.2 | Very low | 40.9 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | -15.5 | 124.8 | 153.7 | -61.1 | 169.6 | 11.5 | 0 | 0 | 113.2 | R459 A463 | R459-Q461 PolarHBondContact O-N 2.91Å; Q461-A463 PolarHBondContact O-N 3.28Å | ||
| 462 | D | 45.8 | Very low | 42.4 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | 43.8 | 76 | 96 | -84.3 | -82.8 | 0 | 0 | 0 | 111.5 | R459 | R459-D462 IonicContact NH2-OD2 3Å; R459-D462 PolarHBondContact NH2-OD2 3.28Å | |||
| 463 | A | 33.3 | Very low | 43.9 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | -84.8 | 138.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q461 L465 | Q461-A463 PolarHBondContact O-N 3.28Å; A463-L465 PolarHBondContact O-N 3.28Å | ||
| 464 | P | 41.3 | Very low | 45.7 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | trans | -59.8 | 114.1 | 167.9 | 27.1 | -30.2 | 0 | 0 | 0 | 105.9 | T466 | P464-T466 PolarHBondContact O-N 3.45Š| ||
| 465 | L | 43.2 | Very low | 47.3 | Very low | 97 Ų | 97 | 120 Ų | 120 | 51% | 0.508 | 65% | 0.646 | S | S | . | * | trans | -53.3 | 115.1 | 168.3 | -71.8 | 164.5 | 0 | 0 | 0 | 105.5 | A463 E467 Q469 | A463-L465 PolarHBondContact O-N 3.28Å; L465-E467 PolarHBondContact O-N 3.34Å; L465-Q469 HydrophobicContact CD2-CB 4.41Å | ||
| 466 | T | 56.8 | Low | 48.9 | Very low | 95 Ų | 95 | 116.8 Ų | 116.8 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | trans | -51.4 | 141.7 | 177.1 | -29.5 | 0 | 0 | 0 | 0 | 107.3 | P464 Q468 Q469 L470 | P464-T466 PolarHBondContact O-N 3.45Å; T466-Q468 HydrophobicContact CG2-CB 4.49Å; T466-Q468 CarbonylContact O-C 3.11Å; T466-Q468 PolarHBondContact O-N 2.92Å; T466-Q469 WeakPolarHBondContact O-CA 3.26Å; T466-Q469 PolarHBondContact O-N 2.85Å; T466-L470 PolarHBondContact O-N 3.48Å | ||
| 467 | E | 55.6 | Low | 50.5 | Low | 168 Ų | 168 | 116.7 Ų | 116.7 | 79% | 0.785 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -48.3 | -31.5 | 178.1 | -166.1 | 166.3 | 90.8 | 0 | 0 | 111.9 | L465 L470 Q471 | L465-E467 PolarHBondContact O-N 3.34Å; E467-L470 PolarHBondContact O-N 3.09Å; E467-Q471 VanDerWaalsContact O-CB 3.31Å; E467-Q471 WeakPolarHBondContact O-CB 3.29Å; E467-Q471 PolarHBondContact O-N 3Å |
| 468 | Q | 54 | Low | 52.3 | Low | 122 Ų | 122 | 116.9 Ų | 116.9 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.6 | -43.7 | 171.4 | -166.6 | 179.1 | -15.8 | 0 | 0 | 114.2 | T466 Q471 E472 | T466-Q468 HydrophobicContact CG2-CB 4.49Å; T466-Q468 CarbonylContact O-C 3.11Å; T466-Q468 PolarHBondContact O-N 2.92Å; Q468-Q471 PolarHBondContact O-N 3.36Å; Q468-E472 WeakPolarHBondContact O-CB 3.2Å; Q468-E472 WeakPolarHBondContact O-CG 3.22Å; Q468-E472 PolarHBondContact O-N 3.41Å |
| 469 | Q | 58.3 | Low | 54 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 50% | 0.495 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.6 | -32.4 | 178.8 | -121.5 | -164.6 | -17 | 0 | 0 | 112.4 | L465 T466 E472 Q473 | L465-Q469 HydrophobicContact CD2-CB 4.41Å; T466-Q469 WeakPolarHBondContact O-CA 3.26Å; T466-Q469 PolarHBondContact O-N 2.85Å; Q469-E472 PolarHBondContact O-N 2.77Å; Q469-Q473 WeakPolarHBondContact O-CB 3.28Å; Q469-Q473 PolarHBondContact O-N 3.45Å |
| 470 | L | 65.1 | Low | 55.5 | Low | 105 Ų | 105 | 112.7 Ų | 112.7 | 55% | 0.55 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.9 | -36.8 | 173.5 | -171.1 | 142 | 0 | 0 | 0 | 111 | T466 E467 Q473 F474 | T466-L470 PolarHBondContact O-N 3.48Å; E467-L470 PolarHBondContact O-N 3.09Å; L470-Q473 PolarHBondContact O-N 3.43Å; L470-F474 VanDerWaalsContact O-CB 3.29Å; L470-F474 WeakPolarHBondContact O-CB 3.06Å; L470-F474 PolarHBondContact O-N 3.34Å |
| 471 | Q | 60.6 | Low | 56.7 | Low | 125 Ų | 125 | 109.6 Ų | 109.6 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.5 | -39 | 172 | -168.7 | 160.2 | 47.9 | 0 | 0 | 111.6 | E467 Q468 F474 V475 | E467-Q471 VanDerWaalsContact O-CB 3.31Å; E467-Q471 WeakPolarHBondContact O-CB 3.29Å; E467-Q471 PolarHBondContact O-N 3Å; Q468-Q471 PolarHBondContact O-N 3.36Å; Q471-F474 PolarHBondContact O-N 3.21Å; Q471-V475 WeakPolarHBondContact O-CB 3.37Å; Q471-V475 WeakPolarHBondContact O-CG2 3.12Å; Q471-V475 PolarHBondContact O-N 3.39Å |
| 472 | E | 60.8 | Low | 57.8 | Low | 74 Ų | 74 | 106.2 Ų | 106.2 | 35% | 0.346 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -38.2 | 172.3 | -77.6 | -168.5 | 102.2 | 0 | 0 | 112.4 | Q468 Q469 H476 | Q468-E472 WeakPolarHBondContact O-CB 3.2Å; Q468-E472 WeakPolarHBondContact O-CG 3.22Å; Q468-E472 PolarHBondContact O-N 3.41Å; Q469-E472 PolarHBondContact O-N 2.77Å; E472-H476 WeakPolarHBondContact O-CB 3.29Å; E472-H476 PolarHBondContact O-N 3.35Å; E472-H476 PolarHBondContact O-ND1 2.8Å |
| 473 | Q | 64.8 | Low | 58.3 | Low | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.5 | -35.5 | 175.6 | -169 | 172.6 | 12.1 | 0 | 0 | 111.6 | Q469 L470 H476 Q477 | Q469-Q473 WeakPolarHBondContact O-CB 3.28Å; Q469-Q473 PolarHBondContact O-N 3.45Å; L470-Q473 PolarHBondContact O-N 3.43Å; Q473-H476 PolarHBondContact O-N 2.84Å; Q473-Q477 WeakPolarHBondContact O-CB 3.34Å; Q473-Q477 PolarHBondContact O-N 2.95Å |
| 474 | F | 66.8 | Low | 59.2 | Low | 120 Ų | 120 | 103.8 Ų | 103.8 | 53% | 0.526 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 172.8 | -178.4 | -97.8 | 0 | 0 | 0 | 111.4 | L470 Q471 Q477 M478 | L470-F474 VanDerWaalsContact O-CB 3.29Å; L470-F474 WeakPolarHBondContact O-CB 3.06Å; L470-F474 PolarHBondContact O-N 3.34Å; Q471-F474 PolarHBondContact O-N 3.21Å; F474-Q477 PolarHBondContact O-N 3.39Å; F474-M478 HydrophobicContact CE1-SD 3.98Å; F474-M478 HydrophobicContact CZ-SD 4.44Å; F474-M478 WeakPolarHBondContact O-CB 3.43Å; F474-M478 PolarHBondContact O-N 2.77Å |
| 475 | V | 66.8 | Low | 59.8 | Low | 71 Ų | 71 | 101.4 Ų | 101.4 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 173.6 | 169.7 | 0 | 0 | 0 | 0 | 110.1 | Q471 M478 L479 | Q471-V475 WeakPolarHBondContact O-CB 3.37Å; Q471-V475 WeakPolarHBondContact O-CG2 3.12Å; Q471-V475 PolarHBondContact O-N 3.39Å; V475-M478 PolarHBondContact O-N 2.97Å; V475-L479 WeakPolarHBondContact O-CB 3.16Å; V475-L479 PolarHBondContact O-N 3.2Å |
| 476 | H | 63.1 | Low | 60.1 | Low | 120 Ų | 120 | 100.3 Ų | 100.3 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -37.5 | 174.1 | -82.9 | 84.5 | 0 | 0 | 0 | 112.6 | E472 Q473 K480 | E472-H476 WeakPolarHBondContact O-CB 3.29Å; E472-H476 PolarHBondContact O-N 3.35Å; E472-H476 PolarHBondContact O-ND1 2.8Å; Q473-H476 PolarHBondContact O-N 2.84Å; H476-K480 WeakPolarHBondContact O-CB 3.41Å; H476-K480 PolarHBondContact O-N 3.39Å |
| 477 | Q | 66.4 | Low | 59.7 | Low | 125 Ų | 125 | 100.3 Ų | 100.3 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.4 | -39 | 177 | -170.3 | 85.9 | 90.8 | 0 | 0 | 111.1 | Q473 F474 K480 A481 | Q473-Q477 WeakPolarHBondContact O-CB 3.34Å; Q473-Q477 PolarHBondContact O-N 2.95Å; F474-Q477 PolarHBondContact O-N 3.39Å; Q477-K480 CarbonylContact O-C 3.57Å; Q477-K480 PolarHBondContact O-N 2.73Å; Q477-A481 WeakPolarHBondContact O-CB 3.16Å; Q477-A481 PolarHBondContact O-N 3.4Å |
| 478 | M | 63.8 | Low | 59.2 | Low | 77 Ų | 77 | 93.9 Ų | 93.9 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.4 | -40.1 | 176.1 | -170.1 | 176.8 | 73.9 | 0 | 0 | 110.5 | F474 V475 K480 A481 L482 | F474-M478 HydrophobicContact CE1-SD 3.98Å; F474-M478 HydrophobicContact CZ-SD 4.44Å; F474-M478 WeakPolarHBondContact O-CB 3.43Å; F474-M478 PolarHBondContact O-N 2.77Å; V475-M478 PolarHBondContact O-N 2.97Å; M478-K480 VanDerWaalsContact C-N 3.31Å; M478-A481 CarbonylContact O-C 3.59Å; M478-A481 PolarHBondContact O-N 2.82Å; M478-L482 HydrophobicContact CG-CD1 3.83Å; M478-L482 WeakPolarHBondContact O-CB 3.35Å; M478-L482 WeakPolarHBondContact O-CD1 3.4Å; M478-L482 VanDerWaalsContact O-CG 3.28Å; M478-L482 WeakPolarHBondContact O-CG 3.2Å; M478-L482 PolarHBondContact O-N 2.81Å |
| 479 | L | 63.3 | Low | 59 | Low | 95 Ų | 95 | 90.9 Ų | 90.9 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68 | -33.4 | 173.6 | -162.6 | 73 | 0 | 0 | 0 | 111.1 | V475 A483 | V475-L479 WeakPolarHBondContact O-CB 3.16Å; V475-L479 PolarHBondContact O-N 3.2Å; L479-A483 WeakPolarHBondContact O-CB 3.18Å; L479-A483 PolarHBondContact O-N 3.23Å |
| 480 | K | 65.5 | Low | 58.7 | Low | 137 Ų | 137 | 91 Ų | 91 | 60% | 0.596 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -75.1 | -33.5 | 172.7 | -166.4 | 122.3 | -175.9 | 171.6 | 0 | 112.3 | H476 Q477 M478 N484 | H476-K480 WeakPolarHBondContact O-CB 3.41Å; H476-K480 PolarHBondContact O-N 3.39Å; Q477-K480 CarbonylContact O-C 3.57Å; Q477-K480 PolarHBondContact O-N 2.73Å; M478-K480 VanDerWaalsContact C-N 3.31Å; K480-N484 WeakPolarHBondContact O-CB 3.39Å; K480-N484 VanDerWaalsContact O-CG 3.3Å; K480-N484 PolarHBondContact O-N 3.5Å; K480-N484 PolarHBondContact O-OD1 3.41Å |
| 481 | A | 60.5 | Low | 58 | Low | 50 Ų | 50 | 91.4 Ų | 91.4 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.9 | -31.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q477 M478 N484 T485 | Q477-A481 WeakPolarHBondContact O-CB 3.16Å; Q477-A481 PolarHBondContact O-N 3.4Å; M478-A481 CarbonylContact O-C 3.59Å; M478-A481 PolarHBondContact O-N 2.82Å; A481-N484 CarbonylContact O-C 3.55Å; A481-T485 WeakPolarHBondContact O-CA 3.4Å; A481-T485 VanDerWaalsContact O-CB 3.28Å; A481-T485 WeakPolarHBondContact O-CB 3.38Å; A481-T485 WeakPolarHBondContact O-CG2 2.96Å; A481-T485 PolarHBondContact O-N 3.08Å; A481-T485 PolarHBondContact O-OG1 3.19Å |
| 482 | L | 58.6 | Low | 57.7 | Low | 97 Ų | 97 | 91.4 Ų | 91.4 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.2 | -35.9 | 171.1 | -79.6 | 156.3 | 0 | 0 | 0 | 111.6 | M478 T485 N486 | M478-L482 HydrophobicContact CG-CD1 3.83Å; M478-L482 WeakPolarHBondContact O-CB 3.35Å; M478-L482 WeakPolarHBondContact O-CD1 3.4Å; M478-L482 VanDerWaalsContact O-CG 3.28Å; M478-L482 WeakPolarHBondContact O-CG 3.2Å; M478-L482 PolarHBondContact O-N 2.81Å; L482-T485 WeakPolarHBondContact CA-OG1 3.47Å; L482-T485 CarbonylContact O-C 3.52Å; L482-T485 PolarHBondContact O-OG1 3.37Å; L482-N486 VanDerWaalsContact O-CB 3.28Å; L482-N486 WeakPolarHBondContact O-CB 3.08Å; L482-N486 PolarHBondContact O-N 2.95Å |
| 483 | A | 55.7 | Low | 57.5 | Low | 54 Ų | 54 | 90.7 Ų | 90.7 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.1 | -38 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L479 N486 D487 | L479-A483 WeakPolarHBondContact O-CB 3.18Å; L479-A483 PolarHBondContact O-N 3.23Å; A483-N486 WeakPolarHBondContact O-CB 3.29Å; A483-N486 PolarHBondContact O-N 3.47Å; A483-D487 PolarHBondContact O-N 3.36Å; A483-D487 VanDerWaalsContact O-N 3.11Å |
| 484 | N | 52.7 | Low | 57.2 | Low | 105 Ų | 105 | 87.4 Ų | 87.4 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -77.4 | -26.4 | 174 | -80.2 | 11.8 | 0 | 0 | 0 | 113.1 | K480 A481 D487 G488 | K480-N484 WeakPolarHBondContact O-CB 3.39Å; K480-N484 VanDerWaalsContact O-CG 3.3Å; K480-N484 PolarHBondContact O-N 3.5Å; K480-N484 PolarHBondContact O-OD1 3.41Å; A481-N484 CarbonylContact O-C 3.55Å; N484-D487 CarbonylContact O-C 3.45Å; N484-D487 WeakPolarHBondContact O-CB 3.43Å; N484-D487 PolarHBondContact O-N 2.81Å; N484-G488 PolarHBondContact O-N 3.19Å |
| 485 | T | 52.9 | Low | 57 | Low | 71 Ų | 71 | 89 Ų | 89 | 44% | 0.436 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -81.9 | -18.3 | 167.6 | 43.4 | 0 | 0 | 0 | 0 | 111.1 | A481 L482 D487 G488 V489 | A481-T485 WeakPolarHBondContact O-CA 3.4Å; A481-T485 VanDerWaalsContact O-CB 3.28Å; A481-T485 WeakPolarHBondContact O-CB 3.38Å; A481-T485 WeakPolarHBondContact O-CG2 2.96Å; A481-T485 PolarHBondContact O-N 3.08Å; A481-T485 PolarHBondContact O-OG1 3.19Å; L482-T485 WeakPolarHBondContact CA-OG1 3.47Å; L482-T485 CarbonylContact O-C 3.52Å; L482-T485 PolarHBondContact O-OG1 3.37Å; T485-D487 VanDerWaalsContact C-N 3.26Å; T485-G488 PolarHBondContact O-N 2.91Å; T485-V489 WeakPolarHBondContact O-CA 3.29Å; T485-V489 WeakPolarHBondContact O-CB 3.44Å; T485-V489 WeakPolarHBondContact O-CG2 3.22Å; T485-V489 PolarHBondContact O-N 3.28Å |
| 486 | N | 50.2 | Low | 57.2 | Low | 74 Ų | 74 | 91.8 Ų | 91.8 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.2 | -29.9 | 162.6 | -155.5 | 3.1 | 0 | 0 | 0 | 109.9 | L482 A483 R490 | L482-N486 VanDerWaalsContact O-CB 3.28Å; L482-N486 WeakPolarHBondContact O-CB 3.08Å; L482-N486 PolarHBondContact O-N 2.95Å; A483-N486 WeakPolarHBondContact O-CB 3.29Å; A483-N486 PolarHBondContact O-N 3.47Å; N486-R490 WeakPolarHBondContact O-CB 3.06Å; N486-R490 VanDerWaalsContact O-CD 3.22Å; N486-R490 WeakPolarHBondContact O-CD 3.02Å; N486-R490 WeakPolarHBondContact O-CG 3.28Å; N486-R490 PolarHBondContact O-N 3.01Å |
| 487 | D | 48.1 | Very low | 57.9 | Low | 95 Ų | 95 | 87.9 Ų | 87.9 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.6 | -37.6 | 167.6 | -121.9 | -91.6 | 0 | 0 | 0 | 112.3 | A483 N484 T485 H491 | A483-D487 PolarHBondContact O-N 3.36Å; A483-D487 VanDerWaalsContact O-N 3.11Å; N484-D487 CarbonylContact O-C 3.45Å; N484-D487 WeakPolarHBondContact O-CB 3.43Å; N484-D487 PolarHBondContact O-N 2.81Å; T485-D487 VanDerWaalsContact C-N 3.26Å; D487-H491 VanDerWaalsContact O-CB 3.27Å; D487-H491 WeakPolarHBondContact O-CB 3.47Å; D487-H491 PolarHBondContact O-CD2 3.19Å; D487-H491 PolarHBondContact O-N 3.45Å |
| 488 | G | 45.2 | Very low | 58.7 | Low | 32 Ų | 32 | 85.8 Ų | 85.8 | 33% | 0.33 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.2 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N484 T485 H491 E492 | N484-G488 PolarHBondContact O-N 3.19Å; T485-G488 PolarHBondContact O-N 2.91Å; G488-H491 PolarHBondContact O-N 3.48Å; G488-E492 WeakPolarHBondContact O-CG 3.37Å; G488-E492 PolarHBondContact O-N 3.48Å |
| 489 | V | 50.3 | Low | 59.6 | Low | 59 Ų | 59 | 89.6 Ų | 89.6 | 36% | 0.358 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -74.5 | -35.5 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | T485 H491 E492 E493 | T485-V489 WeakPolarHBondContact O-CA 3.29Å; T485-V489 WeakPolarHBondContact O-CB 3.44Å; T485-V489 WeakPolarHBondContact O-CG2 3.22Å; T485-V489 PolarHBondContact O-N 3.28Å; V489-H491 VanDerWaalsContact C-N 3.29Å; V489-H491 PolarHBondContact O-N 2.79Å; V489-E492 PolarHBondContact O-N 3.19Å; V489-E493 HydrophobicContact CG1-CG 4.09Å; V489-E493 WeakPolarHBondContact O-CB 3.44Å; V489-E493 WeakPolarHBondContact O-CG 3.32Å; V489-E493 PolarHBondContact O-N 3.1Å |
| 490 | R | 51 | Low | 60.7 | Low | 109 Ų | 109 | 87.5 Ų | 87.5 | 41% | 0.411 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.5 | -32.6 | 168.7 | -78.6 | 174.1 | 156.5 | -177.6 | -2.8 | 112.9 | N486 E494 | N486-R490 WeakPolarHBondContact O-CB 3.06Å; N486-R490 VanDerWaalsContact O-CD 3.22Å; N486-R490 WeakPolarHBondContact O-CD 3.02Å; N486-R490 WeakPolarHBondContact O-CG 3.28Å; N486-R490 PolarHBondContact O-N 3.01Å; R490-E494 WeakPolarHBondContact O-CB 3.47Å; R490-E494 PolarHBondContact O-N 3.19Å |
| 491 | H | 51.6 | Low | 61.5 | Low | 113 Ų | 113 | 81.3 Ų | 81.3 | 52% | 0.523 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.7 | -39.5 | 173.2 | -101.2 | -94.8 | 0 | 0 | 0 | 112.1 | D487 G488 V489 E494 E495 | D487-H491 VanDerWaalsContact O-CB 3.27Å; D487-H491 WeakPolarHBondContact O-CB 3.47Å; D487-H491 PolarHBondContact O-CD2 3.19Å; D487-H491 PolarHBondContact O-N 3.45Å; G488-H491 PolarHBondContact O-N 3.48Å; V489-H491 VanDerWaalsContact C-N 3.29Å; V489-H491 PolarHBondContact O-N 2.79Å; H491-E494 PolarHBondContact O-N 3.11Å; H491-E495 PolarHBondContact O-N 3.41Å; H491-E495 VanDerWaalsContact O-N 3.08Å |
| 492 | E | 54.2 | Low | 62.6 | Low | 125 Ų | 125 | 85.1 Ų | 85.1 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.8 | -44.4 | 173.3 | -74.4 | 176.9 | 160.5 | 0 | 0 | 111.4 | G488 V489 E494 E495 D496 | G488-E492 WeakPolarHBondContact O-CG 3.37Å; G488-E492 PolarHBondContact O-N 3.48Å; V489-E492 PolarHBondContact O-N 3.19Å; E492-E494 PolarHBondContact O-N 2.91Å; E492-E495 PolarHBondContact O-N 2.9Å; E492-D496 PolarHBondContact O-N 3.06Å |
| 493 | E | 55.2 | Low | 63.7 | Low | 59 Ų | 59 | 85.4 Ų | 85.4 | 28% | 0.276 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 175.3 | -69.9 | 169.3 | 160.7 | 0 | 0 | 112.1 | V489 E495 D496 F497 | V489-E493 HydrophobicContact CG1-CG 4.09Å; V489-E493 WeakPolarHBondContact O-CB 3.44Å; V489-E493 WeakPolarHBondContact O-CG 3.32Å; V489-E493 PolarHBondContact O-N 3.1Å; E493-E495 VanDerWaalsContact C-N 3.34Å; E493-D496 PolarHBondContact O-N 3Å; E493-F497 HydrophobicContact CB-CD2 4.28Å; E493-F497 HydrophobicContact CB-CE2 4.19Å; E493-F497 WeakPolarHBondContact O-CB 3.23Å; E493-F497 WeakPolarHBondContact O-CD2 3.33Å; E493-F497 WeakPolarHBondContact O-CG 3.28Å; E493-F497 PolarHBondContact O-N 3.35Å |
| 494 | E | 58.9 | Low | 64.9 | Low | 47 Ų | 47 | 82.9 Ų | 82.9 | 22% | 0.22 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.7 | -31.6 | 173.5 | -170.9 | 174.4 | -179.8 | 0 | 0 | 111.9 | R490 H491 E492 Q498 R512 L516 | R490-E494 WeakPolarHBondContact O-CB 3.47Å; R490-E494 PolarHBondContact O-N 3.19Å; H491-E494 PolarHBondContact O-N 3.11Å; E492-E494 PolarHBondContact O-N 2.91Å; E494-Q498 PolarHBondContact O-N 3Å; E494-Q498 PolarHBondContact O-OE1 2.66Å; E494-R512 IonicContact OE1-CZ 3.89Å; E494-R512 IonicContact OE1-NE 3.26Å; E494-R512 PolarHBondContact OE1-NE 3.41Å; E494-R512 IonicContact OE1-NH1 2.66Å; E494-R512 PolarHBondContact OE1-NH1 3.2Å; E494-R512 IonicContact OE1-NH2 2.87Å; E494-R512 PolarHBondContact OE1-NH2 3.32Å; E494-L516 HydrophobicContact CB-CD1 3.87Å; E494-L516 HydrophobicContact CG-CD1 4.06Å |
| 495 | E | 62.4 | Low | 66.4 | Low | 155 Ų | 155 | 82.2 Ų | 82.2 | 72% | 0.724 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.2 | -41.3 | 171 | -74.9 | -168.9 | 167.8 | 0 | 0 | 112 | H491 E492 E493 F497 Q498 | H491-E495 PolarHBondContact O-N 3.41Å; H491-E495 VanDerWaalsContact O-N 3.08Å; E492-E495 PolarHBondContact O-N 2.9Å; E493-E495 VanDerWaalsContact C-N 3.34Å; E495-F497 PolarHBondContact O-N 3.08Å; E495-Q498 WeakPolarHBondContact O-CB 3.39Å |
| 496 | D | 72.3 | Confident | 68 | Low | 129 Ų | 129 | 83.6 Ų | 83.6 | 69% | 0.69 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.2 | -33.7 | 177.9 | -79.8 | -37.3 | 0 | 0 | 0 | 112.8 | E492 E493 | E492-D496 PolarHBondContact O-N 3.06Å; E493-D496 PolarHBondContact O-N 3Å |
| 497 | F | 77.8 | Confident | 69.3 | Low | 38 Ų | 38 | 83.8 Ų | 83.8 | 17% | 0.167 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 13.4 | -178.8 | -59 | -52.1 | 0 | 0 | 0 | 114.3 | E493 E495 E499 E500 L501 L519 I520 | E493-F497 HydrophobicContact CB-CD2 4.28Å; E493-F497 HydrophobicContact CB-CE2 4.19Å; E493-F497 WeakPolarHBondContact O-CB 3.23Å; E493-F497 WeakPolarHBondContact O-CD2 3.33Å; E493-F497 WeakPolarHBondContact O-CG 3.28Å; E493-F497 PolarHBondContact O-N 3.35Å; E495-F497 PolarHBondContact O-N 3.08Å; F497-E499 VanDerWaalsContact C-N 3.33Å; F497-E499 PolarHBondContact O-N 3.11Å; F497-E500 PolarHBondContact O-N 3.37Å; F497-L501 HydrophobicContact CB-CD1 4.19Å; F497-L501 WeakPolarHBondContact O-CB 3.14Å; F497-L501 WeakPolarHBondContact O-CD1 3.39Å; F497-L501 PolarHBondContact O-N 3.22Å; F497-L519 HydrophobicContact CB-CD1 4.2Å; F497-L519 HydrophobicContact CG-CB 4.39Å; F497-I520 HydrophobicContact CE2-CG1 4.45Å |
| 498 | Q | 82.1 | Confident | 70.8 | Confident | 81 Ų | 81 | 81.7 Ų | 81.7 | 38% | 0.379 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | -176.5 | -172.9 | 72.7 | -1.9 | 0 | 0 | 112.6 | E494 E495 Q502 | E494-Q498 PolarHBondContact O-N 3Å; E494-Q498 PolarHBondContact O-OE1 2.66Å; E495-Q498 WeakPolarHBondContact O-CB 3.39Å; Q498-Q502 WeakPolarHBondContact O-CB 3.41Å; Q498-Q502 PolarHBondContact O-N 3.48Å |
| 499 | E | 83.9 | Confident | 72.4 | Confident | 156 Ų | 156 | 83.2 Ų | 83.2 | 73% | 0.729 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.6 | -48.7 | 177.8 | -68.7 | -166.6 | 156 | 0 | 0 | 111.2 | F497 L501 Q502 Q503 | F497-E499 VanDerWaalsContact C-N 3.33Å; F497-E499 PolarHBondContact O-N 3.11Å; E499-L501 PolarHBondContact O-N 2.63Å; E499-Q502 PolarHBondContact O-N 3.27Å; E499-Q502 VanDerWaalsContact O-N 3.17Å; E499-Q503 WeakPolarHBondContact O-CB 3.12Å; E499-Q503 PolarHBondContact O-N 3.31Å |
| 500 | E | 84.9 | Confident | 73.9 | Confident | 52 Ų | 52 | 90.5 Ų | 90.5 | 24% | 0.243 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 177 | -88.9 | 81.1 | 135.5 | 0 | 0 | 112 | F497 Q502 Q503 M504 L519 L526 | F497-E500 PolarHBondContact O-N 3.37Å; E500-Q502 VanDerWaalsContact C-N 3.34Å; E500-Q502 PolarHBondContact O-N 3.49Å; E500-Q503 CarbonylContact O-C 3.59Å; E500-Q503 PolarHBondContact O-N 3.27Å; E500-M504 WeakPolarHBondContact O-CB 3.49Å; E500-M504 VanDerWaalsContact O-CG 3.27Å; E500-M504 WeakPolarHBondContact O-CG 3.22Å; E500-M504 PolarHBondContact O-N 3.29Å; E500-L519 HydrophobicContact CB-CD1 3.76Å; E500-L519 HydrophobicContact CB-CD2 3.78Å; E500-L519 HydrophobicContact CB-CG 4.46Å; E500-L519 HydrophobicContact CG-CD2 4.02Å; E500-L526 HydrophobicContact CB-CD1 4.27Å; E500-L526 HydrophobicContact CG-CB 4.07Å; E500-L526 HydrophobicContact CG-CD1 4.19Å |
| 501 | L | 82.9 | Confident | 75.5 | Confident | 6 Ų | 6 | 89.9 Ų | 89.9 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 174.4 | -96.7 | 140.5 | 0 | 0 | 0 | 112.3 | F497 E499 Q503 M504 N505 R512 N515 L516 L519 | F497-L501 HydrophobicContact CB-CD1 4.19Å; F497-L501 WeakPolarHBondContact O-CB 3.14Å; F497-L501 WeakPolarHBondContact O-CD1 3.39Å; F497-L501 PolarHBondContact O-N 3.22Å; E499-L501 PolarHBondContact O-N 2.63Å; L501-Q503 VanDerWaalsContact C-N 3.32Å; L501-M504 PolarHBondContact O-N 3.2Å; L501-N505 VanDerWaalsContact O-CB 3.31Å; L501-N505 WeakPolarHBondContact O-CB 3.26Å; L501-N505 PolarHBondContact O-N 3.36Å; L501-R512 HydrophobicContact CD2-CB 4.33Å; L501-R512 HydrophobicContact CD2-CG 3.39Å; L501-R512 WeakPolarHBondContact CD2-O 3.33Å; L501-N515 HydrophobicContact CD2-CB 3.75Å; L501-N515 HydrophobicContact CG-CB 4.43Å; L501-L516 HydrophobicContact CD1-CB 4.22Å; L501-L516 HydrophobicContact CD1-CD1 3.53Å; L501-L516 HydrophobicContact CD1-CG 4.5Å; L501-L519 HydrophobicContact CD1-CD1 4.25Å; L501-L519 HydrophobicContact CG-CD1 3.92Å |
| 502 | Q | 83 | Confident | 76.8 | Confident | 131 Ų | 131 | 90.6 Ų | 90.6 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.5 | -34.7 | 176 | -169.7 | 168.1 | -6.6 | 0 | 0 | 111.5 | Q498 E499 E500 N505 S506 | Q498-Q502 WeakPolarHBondContact O-CB 3.41Å; Q498-Q502 PolarHBondContact O-N 3.48Å; E499-Q502 PolarHBondContact O-N 3.27Å; E499-Q502 VanDerWaalsContact O-N 3.17Å; E500-Q502 VanDerWaalsContact C-N 3.34Å; E500-Q502 PolarHBondContact O-N 3.49Å; Q502-N505 PolarHBondContact O-N 2.95Å; Q502-S506 WeakPolarHBondContact O-CB 3.28Å; Q502-S506 PolarHBondContact O-N 3.46Å; Q502-S506 PolarHBondContact O-OG 2.74Å |
| 503 | Q | 82.1 | Confident | 78.2 | Confident | 103 Ų | 103 | 92 Ų | 92 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 174.4 | -165.8 | 161.8 | -11.5 | 0 | 0 | 111.5 | E499 E500 L501 S506 M507 L526 | E499-Q503 WeakPolarHBondContact O-CB 3.12Å; E499-Q503 PolarHBondContact O-N 3.31Å; E500-Q503 CarbonylContact O-C 3.59Å; E500-Q503 PolarHBondContact O-N 3.27Å; L501-Q503 VanDerWaalsContact C-N 3.32Å; Q503-S506 CarbonylContact O-C 3.44Å; Q503-S506 WeakPolarHBondContact O-CB 3.41Å; Q503-S506 PolarHBondContact O-N 3.14Å; Q503-M507 HydrophobicContact CG-CE 4Å; Q503-M507 WeakPolarHBondContact O-CE 3.39Å; Q503-M507 WeakPolarHBondContact O-CG 3.33Å; Q503-M507 PolarHBondContact O-N 2.89Å; Q503-L526 HydrophobicContact CB-CD2 4.36Å; Q503-L526 HydrophobicContact CG-CD2 3.89Å |
| 504 | M | 81.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 90.8 Ų | 90.8 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 173.2 | -70.5 | 176.5 | 83 | 0 | 0 | 112.1 | E500 L501 S506 M507 G508 F509 N515 L519 L526 A529 L530 L533 | E500-M504 WeakPolarHBondContact O-CB 3.49Å; E500-M504 VanDerWaalsContact O-CG 3.27Å; E500-M504 WeakPolarHBondContact O-CG 3.22Å; E500-M504 PolarHBondContact O-N 3.29Å; L501-M504 PolarHBondContact O-N 3.2Å; M504-S506 VanDerWaalsContact C-N 3.31Å; M504-S506 PolarHBondContact O-N 3.18Å; M504-M507 HydrophobicContact CG-CE 4.1Å; M504-M507 CarbonylContact O-C 3.58Å; M504-M507 WeakPolarHBondContact O-CA 3.45Å; M504-M507 WeakPolarHBondContact O-CB 3.47Å; M504-M507 PolarHBondContact O-N 2.92Å; M504-M507 VanDerWaalsContact O-N 3.09Å; M504-G508 PolarHBondContact O-N 3.15Å; M504-G508 VanDerWaalsContact O-N 3.09Å; M504-F509 HydrophobicContact CB-CB 4.2Å; M504-F509 WeakPolarHBondContact O-CB 3.38Å; M504-F509 PolarHBondContact O-N 3.19Å; M504-N515 HydrophobicContact CE-CB 3.89Å; M504-N515 HydrophobicContact SD-CB 3.95Å; M504-L519 HydrophobicContact SD-CD1 3.62Å; M504-L519 HydrophobicContact SD-CD2 4.13Å; M504-L519 HydrophobicContact SD-CG 3.79Å; M504-L526 HydrophobicContact CG-CD1 3.28Å; M504-L526 HydrophobicContact SD-CD1 3.88Å; M504-A529 HydrophobicContact CE-CB 4.18Å; M504-A529 HydrophobicContact SD-CB 4.43Å; M504-L530 HydrophobicContact CE-CD2 4.12Å; M504-L530 HydrophobicContact CG-CD2 4.3Å; M504-L533 HydrophobicContact CE-CD1 3.07Å |
| 505 | N | 84 | Confident | 80.7 | Confident | 91 Ų | 91 | 88.7 Ų | 88.7 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 174.6 | -161.4 | 4.9 | 0 | 0 | 0 | 111.5 | L501 Q502 M507 G508 F509 | L501-N505 VanDerWaalsContact O-CB 3.31Å; L501-N505 WeakPolarHBondContact O-CB 3.26Å; L501-N505 PolarHBondContact O-N 3.36Å; Q502-N505 PolarHBondContact O-N 2.95Å; N505-M507 VanDerWaalsContact C-N 3.29Å; N505-M507 PolarHBondContact O-N 2.89Å; N505-G508 PolarHBondContact O-N 3.28Å; N505-G508 VanDerWaalsContact O-N 3.08Å; N505-F509 WeakPolarHBondContact CA-O 3.38Å |
| 506 | S | 85.2 | Confident | 81.7 | Confident | 100 Ų | 100 | 82.3 Ų | 82.3 | 70% | 0.699 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.9 | -30.7 | 172.3 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | Q502 Q503 M504 G508 | Q502-S506 WeakPolarHBondContact O-CB 3.28Å; Q502-S506 PolarHBondContact O-N 3.46Å; Q502-S506 PolarHBondContact O-OG 2.74Å; Q503-S506 CarbonylContact O-C 3.44Å; Q503-S506 WeakPolarHBondContact O-CB 3.41Å; Q503-S506 PolarHBondContact O-N 3.14Å; M504-S506 VanDerWaalsContact C-N 3.31Å; M504-S506 PolarHBondContact O-N 3.18Å; S506-G508 PolarHBondContact O-N 3.04Å |
| 507 | M | 78.3 | Confident | 82.2 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 39% | 0.389 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.9 | 173.2 | -70.7 | -176.2 | -69.7 | 0 | 0 | 113.4 | Q503 M504 N505 F509 L526 L530 | Q503-M507 HydrophobicContact CG-CE 4Å; Q503-M507 WeakPolarHBondContact O-CE 3.39Å; Q503-M507 WeakPolarHBondContact O-CG 3.33Å; Q503-M507 PolarHBondContact O-N 2.89Å; M504-M507 HydrophobicContact CG-CE 4.1Å; M504-M507 CarbonylContact O-C 3.58Å; M504-M507 WeakPolarHBondContact O-CA 3.45Å; M504-M507 WeakPolarHBondContact O-CB 3.47Å; M504-M507 PolarHBondContact O-N 2.92Å; M504-M507 VanDerWaalsContact O-N 3.09Å; N505-M507 VanDerWaalsContact C-N 3.29Å; N505-M507 PolarHBondContact O-N 2.89Å; M507-F509 HydrophobicContact CB-CD2 4.14Å; M507-F509 HydrophobicContact CB-CE2 4.43Å; M507-L526 HydrophobicContact CE-CD1 3.82Å; M507-L526 HydrophobicContact CE-CD2 3.94Å; M507-L526 HydrophobicContact CE-CG 4.07Å; M507-L530 HydrophobicContact CE-CD1 3.66Å; M507-L530 HydrophobicContact CE-CD2 3.99Å; M507-L530 HydrophobicContact CE-CG 4.28Å; M507-L530 HydrophobicContact SD-CD1 3.94Å |
| 508 | G | 79.3 | Confident | 82.4 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | 3.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M504 N505 S506 R510 | M504-G508 PolarHBondContact O-N 3.15Å; M504-G508 VanDerWaalsContact O-N 3.09Å; N505-G508 PolarHBondContact O-N 3.28Å; N505-G508 VanDerWaalsContact O-N 3.08Å; S506-G508 PolarHBondContact O-N 3.04Å; G508-R510 PolarHBondContact O-N 2.71Å |
| 509 | F | 80.1 | Confident | 82.6 | Confident | 64 Ų | 64 | 76 Ų | 76 | 28% | 0.281 | 38% | 0.377 | S | S | . | . | trans | -81.7 | 93.3 | 170.7 | -64.1 | -94 | 0 | 0 | 0 | 108.7 | M504 N505 M507 N515 L530 L533 | M504-F509 HydrophobicContact CB-CB 4.2Å; M504-F509 WeakPolarHBondContact O-CB 3.38Å; M504-F509 PolarHBondContact O-N 3.19Å; N505-F509 WeakPolarHBondContact CA-O 3.38Å; M507-F509 HydrophobicContact CB-CD2 4.14Å; M507-F509 HydrophobicContact CB-CE2 4.43Å; F509-N515 WeakPolarHBondContact CB-OD1 3.43Å; F509-N515 PolarHBondContact O-ND2 3.25Å; F509-L530 HydrophobicContact CD2-CD2 3.55Å; F509-L530 HydrophobicContact CE1-CD2 4.4Å; F509-L530 HydrophobicContact CE2-CD2 3.17Å; F509-L530 HydrophobicContact CG-CD2 4.33Å; F509-L530 HydrophobicContact CZ-CD2 3.65Å; F509-L533 HydrophobicContact CD1-CB 4.03Å; F509-L533 HydrophobicContact CD1-CD1 4.28Å; F509-L533 HydrophobicContact CE1-CB 3.77Å | ||
| 510 | R | 80.9 | Confident | 82.5 | Confident | 211 Ų | 211 | 71.5 Ų | 71.5 | 80% | 0.796 | 36% | 0.357 | S | S | * | . | trans | -85.1 | -12.1 | -175.4 | -67.6 | 178.6 | 176.3 | 166.5 | -1.6 | 113.9 | G508 R512 | G508-R510 PolarHBondContact O-N 2.71Å; R510-R512 PolarHBondContact O-N 3.37Å; R510-R512 VanDerWaalsContact O-N 3.09Å | ||
| 511 | D | 83.9 | Confident | 82.3 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | trans | -80.5 | 93.2 | -179.6 | -161.8 | -60.7 | 0 | 0 | 0 | 110.1 | K513 A514 N515 | D511-K513 PolarHBondContact O-N 3Å; D511-K513 PolarHBondContact OD1-N 3.44Å; D511-A514 HydrophobicContact CB-CB 3.97Å; D511-A514 PolarHBondContact O-N 3.31Å; D511-A514 WeakPolarHBondContact OD1-CB 3.37Å; D511-A514 PolarHBondContact OD1-N 3.34Å; D511-N515 WeakPolarHBondContact O-CB 3.25Å; D511-N515 PolarHBondContact O-N 2.89Å; D511-N515 PolarHBondContact O-ND2 3.17Å; D511-N515 PolarHBondContact O-OD1 3.06Å | ||
| 512 | R | 79.9 | Confident | 82.3 | Confident | 127 Ų | 127 | 74.2 Ų | 74.2 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -34.1 | -175.6 | -154.5 | 178.4 | -175.6 | -160.2 | -5.4 | 112 | E494 L501 R510 L516 | E494-R512 IonicContact OE1-CZ 3.89Å; E494-R512 IonicContact OE1-NE 3.26Å; E494-R512 PolarHBondContact OE1-NE 3.41Å; E494-R512 IonicContact OE1-NH1 2.66Å; E494-R512 PolarHBondContact OE1-NH1 3.2Å; E494-R512 IonicContact OE1-NH2 2.87Å; E494-R512 PolarHBondContact OE1-NH2 3.32Å; L501-R512 HydrophobicContact CD2-CB 4.33Å; L501-R512 HydrophobicContact CD2-CG 3.39Å; L501-R512 WeakPolarHBondContact CD2-O 3.33Å; R510-R512 PolarHBondContact O-N 3.37Å; R510-R512 VanDerWaalsContact O-N 3.09Å; R512-L516 WeakPolarHBondContact O-CB 3.34Å; R512-L516 PolarHBondContact O-N 2.9Å |
| 513 | K | 82.6 | Confident | 82.2 | Confident | 155 Ų | 155 | 71.2 Ų | 71.2 | 67% | 0.674 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -75.5 | -44.1 | -177.7 | -173 | 175.5 | 179.3 | 178.4 | 0 | 111.7 | D511 N515 Q517 | D511-K513 PolarHBondContact O-N 3Å; D511-K513 PolarHBondContact OD1-N 3.44Å; K513-N515 VanDerWaalsContact C-N 3.34Å; K513-Q517 WeakPolarHBondContact O-CB 3.22Å; K513-Q517 PolarHBondContact O-N 2.73Å |
| 514 | A | 81.4 | Confident | 81.9 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | D511 Q517 A518 L533 | D511-A514 HydrophobicContact CB-CB 3.97Å; D511-A514 PolarHBondContact O-N 3.31Å; D511-A514 WeakPolarHBondContact OD1-CB 3.37Å; D511-A514 PolarHBondContact OD1-N 3.34Å; A514-Q517 PolarHBondContact O-N 3.4Å; A514-A518 WeakPolarHBondContact O-CB 3.49Å; A514-A518 PolarHBondContact O-N 3.49Å; A514-L533 HydrophobicContact CB-CD2 3.68Å |
| 515 | N | 84.8 | Confident | 81.9 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 175.4 | -67.3 | -4.2 | 0 | 0 | 0 | 112.6 | L501 M504 F509 D511 K513 Q517 A518 L519 L533 | L501-N515 HydrophobicContact CD2-CB 3.75Å; L501-N515 HydrophobicContact CG-CB 4.43Å; M504-N515 HydrophobicContact CE-CB 3.89Å; M504-N515 HydrophobicContact SD-CB 3.95Å; F509-N515 WeakPolarHBondContact CB-OD1 3.43Å; F509-N515 PolarHBondContact O-ND2 3.25Å; D511-N515 WeakPolarHBondContact O-CB 3.25Å; D511-N515 PolarHBondContact O-N 2.89Å; D511-N515 PolarHBondContact O-ND2 3.17Å; D511-N515 PolarHBondContact O-OD1 3.06Å; K513-N515 VanDerWaalsContact C-N 3.34Å; N515-Q517 VanDerWaalsContact C-N 3.3Å; N515-Q517 PolarHBondContact O-N 2.79Å; N515-A518 PolarHBondContact O-N 3.04Å; N515-L519 WeakPolarHBondContact O-CB 3.01Å; N515-L519 WeakPolarHBondContact O-CG 3.39Å; N515-L519 PolarHBondContact O-N 2.99Å; N515-L533 WeakPolarHBondContact OD1-CD1 3.17Å |
| 516 | L | 84.8 | Confident | 81.8 | Confident | 21 Ų | 21 | 67.8 Ų | 67.8 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 176.1 | -173.5 | 82.5 | 0 | 0 | 0 | 110.2 | E494 L501 R512 A518 L519 I520 | E494-L516 HydrophobicContact CB-CD1 3.87Å; E494-L516 HydrophobicContact CG-CD1 4.06Å; L501-L516 HydrophobicContact CD1-CB 4.22Å; L501-L516 HydrophobicContact CD1-CD1 3.53Å; L501-L516 HydrophobicContact CD1-CG 4.5Å; R512-L516 WeakPolarHBondContact O-CB 3.34Å; R512-L516 PolarHBondContact O-N 2.9Å; L516-A518 VanDerWaalsContact C-N 3.34Å; L516-A518 PolarHBondContact O-N 3.03Å; L516-L519 PolarHBondContact O-N 3.43Å; L516-I520 HydrophobicContact CD2-CD1 4.18Å; L516-I520 HydrophobicContact CG-CD1 3.86Å; L516-I520 VanDerWaalsContact O-CG1 3.22Å; L516-I520 WeakPolarHBondContact O-CG1 3.18Å; L516-I520 PolarHBondContact O-N 2.92Å |
| 517 | Q | 82.6 | Confident | 81.6 | Confident | 111 Ų | 111 | 67.3 Ų | 67.3 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.1 | -34.5 | -179.8 | -171.3 | 161.8 | -14.4 | 0 | 0 | 113.1 | K513 A514 N515 S521 | K513-Q517 WeakPolarHBondContact O-CB 3.22Å; K513-Q517 PolarHBondContact O-N 2.73Å; A514-Q517 PolarHBondContact O-N 3.4Å; N515-Q517 VanDerWaalsContact C-N 3.3Å; N515-Q517 PolarHBondContact O-N 2.79Å; Q517-S521 VanDerWaalsContact O-CB 3.32Å; Q517-S521 WeakPolarHBondContact O-CB 3.4Å; Q517-S521 PolarHBondContact O-N 3.29Å; Q517-S521 PolarHBondContact O-OG 3.44Å |
| 518 | A | 82.2 | Confident | 81.8 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72 | -35.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A514 N515 L516 S521 S522 A529 L532 L533 | A514-A518 WeakPolarHBondContact O-CB 3.49Å; A514-A518 PolarHBondContact O-N 3.49Å; N515-A518 PolarHBondContact O-N 3.04Å; L516-A518 VanDerWaalsContact C-N 3.34Å; L516-A518 PolarHBondContact O-N 3.03Å; A518-S521 PolarHBondContact O-N 3.22Å; A518-S522 WeakPolarHBondContact O-CB 3.42Å; A518-S522 PolarHBondContact O-N 3.15Å; A518-S522 PolarHBondContact O-OG 3.09Å; A518-A529 HydrophobicContact CB-CB 3.97Å; A518-L532 HydrophobicContact CB-CB 4.38Å; A518-L533 HydrophobicContact CB-CD1 3.52Å; A518-L533 HydrophobicContact CB-CD2 4.16Å; A518-L533 HydrophobicContact CB-CG 3.61Å |
| 519 | L | 85 | Confident | 82 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 173.4 | -74.8 | 164.6 | 0 | 0 | 0 | 111.4 | F497 E500 L501 M504 N515 L516 S521 S522 G523 G524 A529 | F497-L519 HydrophobicContact CB-CD1 4.2Å; F497-L519 HydrophobicContact CG-CB 4.39Å; E500-L519 HydrophobicContact CB-CD1 3.76Å; E500-L519 HydrophobicContact CB-CD2 3.78Å; E500-L519 HydrophobicContact CB-CG 4.46Å; E500-L519 HydrophobicContact CG-CD2 4.02Å; L501-L519 HydrophobicContact CD1-CD1 4.25Å; L501-L519 HydrophobicContact CG-CD1 3.92Å; M504-L519 HydrophobicContact SD-CD1 3.62Å; M504-L519 HydrophobicContact SD-CD2 4.13Å; M504-L519 HydrophobicContact SD-CG 3.79Å; N515-L519 WeakPolarHBondContact O-CB 3.01Å; N515-L519 WeakPolarHBondContact O-CG 3.39Å; N515-L519 PolarHBondContact O-N 2.99Å; L516-L519 PolarHBondContact O-N 3.43Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-S521 PolarHBondContact O-N 2.98Å; L519-S522 WeakPolarHBondContact CA-OG 3.49Å; L519-S522 CarbonylContact O-C 3.49Å; L519-S522 PolarHBondContact O-N 3.45Å; L519-S522 PolarHBondContact O-OG 3.49Å; L519-S522 VanDerWaalsContact O-OG 3.05Å; L519-G523 PolarHBondContact O-N 2.96Å; L519-G524 PolarHBondContact O-N 3.35Å; L519-A529 HydrophobicContact CD2-CB 3.72Å; L519-A529 HydrophobicContact CG-CB 3.95Å |
| 520 | I | 83.4 | Confident | 82.1 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 172.9 | -65.8 | 163.3 | 0 | 0 | 0 | 110.4 | F497 L516 S522 G523 | F497-I520 HydrophobicContact CE2-CG1 4.45Å; L516-I520 HydrophobicContact CD2-CD1 4.18Å; L516-I520 HydrophobicContact CG-CD1 3.86Å; L516-I520 VanDerWaalsContact O-CG1 3.22Å; L516-I520 WeakPolarHBondContact O-CG1 3.18Å; L516-I520 PolarHBondContact O-N 2.92Å; I520-S522 VanDerWaalsContact C-N 3.25Å; I520-S522 PolarHBondContact O-N 3.37Å; I520-G523 PolarHBondContact O-N 2.9Å |
| 521 | S | 80.4 | Confident | 82.1 | Confident | 87 Ų | 87 | 59.7 Ų | 59.7 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.3 | -25.8 | 179.6 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | Q517 A518 L519 | Q517-S521 VanDerWaalsContact O-CB 3.32Å; Q517-S521 WeakPolarHBondContact O-CB 3.4Å; Q517-S521 PolarHBondContact O-N 3.29Å; Q517-S521 PolarHBondContact O-OG 3.44Å; A518-S521 PolarHBondContact O-N 3.22Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-S521 PolarHBondContact O-N 2.98Å |
| 522 | S | 82.9 | Confident | 81.8 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 1 | 176.8 | 55 | 0 | 0 | 0 | 0 | 113.6 | A518 L519 I520 G524 D525 A529 | A518-S522 WeakPolarHBondContact O-CB 3.42Å; A518-S522 PolarHBondContact O-N 3.15Å; A518-S522 PolarHBondContact O-OG 3.09Å; L519-S522 WeakPolarHBondContact CA-OG 3.49Å; L519-S522 CarbonylContact O-C 3.49Å; L519-S522 PolarHBondContact O-N 3.45Å; L519-S522 PolarHBondContact O-OG 3.49Å; L519-S522 VanDerWaalsContact O-OG 3.05Å; I520-S522 VanDerWaalsContact C-N 3.25Å; I520-S522 PolarHBondContact O-N 3.37Å; S522-G524 VanDerWaalsContact C-N 3.29Å; S522-G524 PolarHBondContact O-N 3.3Å; S522-D525 PolarHBondContact O-N 3.43Å; S522-D525 PolarHBondContact OG-O 3.11Å; S522-A529 WeakPolarHBondContact OG-CB 3.43Å |
| 523 | G | 80.8 | Confident | 81.7 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 30 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L519 I520 | L519-G523 PolarHBondContact O-N 2.96Å; I520-G523 PolarHBondContact O-N 2.9Å |
| 524 | G | 75.6 | Confident | 81.3 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L519 S522 L526 | L519-G524 PolarHBondContact O-N 3.35Å; S522-G524 VanDerWaalsContact C-N 3.29Å; S522-G524 PolarHBondContact O-N 3.3Å; G524-L526 PolarHBondContact O-N 3.5Å |
| 525 | D | 82.7 | Confident | 80.1 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | trans | -81.3 | 107.1 | -179.8 | -172.7 | -92.4 | 0 | 0 | 0 | 112 | S522 S527 S528 A529 | S522-D525 PolarHBondContact O-N 3.43Å; S522-D525 PolarHBondContact OG-O 3.11Å; D525-S527 VanDerWaalsContact C-N 3.26Å; D525-S527 PolarHBondContact O-N 2.95Å; D525-S527 PolarHBondContact OD1-N 3.41Å; D525-S528 PolarHBondContact O-N 2.65Å; D525-S528 VanDerWaalsContact OD1-CB 3.25Å; D525-S528 WeakPolarHBondContact OD1-CB 3.36Å; D525-S528 PolarHBondContact OD1-N 3.48Å; D525-S528 PolarHBondContact OD1-OG 3.32Å; D525-A529 WeakPolarHBondContact O-CB 3.35Å; D525-A529 PolarHBondContact O-N 3.03Å | ||
| 526 | L | 80.4 | Confident | 79.9 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -53.2 | -39.4 | -180 | -175.6 | 65.9 | 0 | 0 | 0 | 113.3 | E500 Q503 M504 M507 G524 L530 | E500-L526 HydrophobicContact CB-CD1 4.27Å; E500-L526 HydrophobicContact CG-CB 4.07Å; E500-L526 HydrophobicContact CG-CD1 4.19Å; Q503-L526 HydrophobicContact CB-CD2 4.36Å; Q503-L526 HydrophobicContact CG-CD2 3.89Å; M504-L526 HydrophobicContact CG-CD1 3.28Å; M504-L526 HydrophobicContact SD-CD1 3.88Å; M507-L526 HydrophobicContact CE-CD1 3.82Å; M507-L526 HydrophobicContact CE-CD2 3.94Å; M507-L526 HydrophobicContact CE-CG 4.07Å; G524-L526 PolarHBondContact O-N 3.5Å; L526-L530 HydrophobicContact CG-CD1 4.18Å; L526-L530 WeakPolarHBondContact O-CB 3.26Å; L526-L530 WeakPolarHBondContact O-CD1 3.43Å; L526-L530 WeakPolarHBondContact O-CG 3.48Å; L526-L530 PolarHBondContact O-N 3.42Å |
| 527 | S | 80.9 | Confident | 79.6 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 63% | 0.629 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.2 | -38.6 | -176.2 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | D525 H531 | D525-S527 VanDerWaalsContact C-N 3.26Å; D525-S527 PolarHBondContact O-N 2.95Å; D525-S527 PolarHBondContact OD1-N 3.41Å; S527-H531 PolarHBondContact O-N 3.21Å |
| 528 | S | 83.4 | Confident | 79.4 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 39% | 0.385 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.3 | -41.9 | 175.9 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | D525 L530 H531 L532 | D525-S528 PolarHBondContact O-N 2.65Å; D525-S528 VanDerWaalsContact OD1-CB 3.25Å; D525-S528 WeakPolarHBondContact OD1-CB 3.36Å; D525-S528 PolarHBondContact OD1-N 3.48Å; D525-S528 PolarHBondContact OD1-OG 3.32Å; S528-L530 VanDerWaalsContact C-N 3.35Å; S528-L530 PolarHBondContact O-N 2.77Å; S528-H531 WeakPolarHBondContact O-CB 3.48Å; S528-H531 PolarHBondContact O-N 2.64Å; S528-H531 VanDerWaalsContact O-N 3.16Å; S528-L532 PolarHBondContact O-N 2.98Å; S528-L532 VanDerWaalsContact O-N 3.07Å |
| 529 | A | 83.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M504 A518 L519 S522 D525 H531 L532 L533 | M504-A529 HydrophobicContact CE-CB 4.18Å; M504-A529 HydrophobicContact SD-CB 4.43Å; A518-A529 HydrophobicContact CB-CB 3.97Å; L519-A529 HydrophobicContact CD2-CB 3.72Å; L519-A529 HydrophobicContact CG-CB 3.95Å; S522-A529 WeakPolarHBondContact OG-CB 3.43Å; D525-A529 WeakPolarHBondContact O-CB 3.35Å; D525-A529 PolarHBondContact O-N 3.03Å; A529-H531 VanDerWaalsContact C-N 3.29Å; A529-H531 PolarHBondContact O-N 3.26Å; A529-L532 PolarHBondContact O-N 2.9Å; A529-L533 PolarHBondContact O-N 3.42Å; A529-L533 VanDerWaalsContact O-N 3.11Å |
| 530 | L | 81.2 | Confident | 78.9 | Confident | 37 Ų | 37 | 68 Ų | 68 | 19% | 0.194 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.2 | -33.7 | 175.9 | -72.2 | 168.8 | 0 | 0 | 0 | 112.7 | M504 M507 F509 L526 S528 L532 L533 S534 | M504-L530 HydrophobicContact CE-CD2 4.12Å; M504-L530 HydrophobicContact CG-CD2 4.3Å; M507-L530 HydrophobicContact CE-CD1 3.66Å; M507-L530 HydrophobicContact CE-CD2 3.99Å; M507-L530 HydrophobicContact CE-CG 4.28Å; M507-L530 HydrophobicContact SD-CD1 3.94Å; F509-L530 HydrophobicContact CD2-CD2 3.55Å; F509-L530 HydrophobicContact CE1-CD2 4.4Å; F509-L530 HydrophobicContact CE2-CD2 3.17Å; F509-L530 HydrophobicContact CG-CD2 4.33Å; F509-L530 HydrophobicContact CZ-CD2 3.65Å; L526-L530 HydrophobicContact CG-CD1 4.18Å; L526-L530 WeakPolarHBondContact O-CB 3.26Å; L526-L530 WeakPolarHBondContact O-CD1 3.43Å; L526-L530 WeakPolarHBondContact O-CG 3.48Å; L526-L530 PolarHBondContact O-N 3.42Å; S528-L530 VanDerWaalsContact C-N 3.35Å; S528-L530 PolarHBondContact O-N 2.77Å; L530-L532 VanDerWaalsContact C-N 3.34Å; L530-L533 PolarHBondContact O-N 3.44Å; L530-S534 WeakPolarHBondContact O-CB 3.24Å; L530-S534 PolarHBondContact O-N 3.35Å |
| 531 | H | 81.6 | Confident | 78.6 | Confident | 154 Ų | 154 | 68.5 Ų | 68.5 | 71% | 0.713 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -69.9 | -32.8 | 176 | -163.6 | -101.4 | 0 | 0 | 0 | 112 | S527 S528 A529 | S527-H531 PolarHBondContact O-N 3.21Å; S528-H531 WeakPolarHBondContact O-CB 3.48Å; S528-H531 PolarHBondContact O-N 2.64Å; S528-H531 VanDerWaalsContact O-N 3.16Å; A529-H531 VanDerWaalsContact C-N 3.29Å; A529-H531 PolarHBondContact O-N 3.26Å |
| 532 | L | 78.5 | Confident | 78.5 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 56% | 0.56 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -73.3 | -29.2 | 175.2 | -74.1 | 166.5 | 0 | 0 | 0 | 113.3 | A518 S528 A529 L530 | A518-L532 HydrophobicContact CB-CB 4.38Å; S528-L532 PolarHBondContact O-N 2.98Å; S528-L532 VanDerWaalsContact O-N 3.07Å; A529-L532 PolarHBondContact O-N 2.9Å; L530-L532 VanDerWaalsContact C-N 3.34Å |
| 533 | L | 77.3 | Confident | 78.1 | Confident | 43 Ų | 43 | 70.2 Ų | 70.2 | 23% | 0.225 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -91.2 | -9.8 | 177.8 | -69.6 | 161 | 0 | 0 | 0 | 113.5 | M504 F509 A514 N515 A518 A529 L530 | M504-L533 HydrophobicContact CE-CD1 3.07Å; F509-L533 HydrophobicContact CD1-CB 4.03Å; F509-L533 HydrophobicContact CD1-CD1 4.28Å; F509-L533 HydrophobicContact CE1-CB 3.77Å; A514-L533 HydrophobicContact CB-CD2 3.68Å; N515-L533 WeakPolarHBondContact OD1-CD1 3.17Å; A518-L533 HydrophobicContact CB-CD1 3.52Å; A518-L533 HydrophobicContact CB-CD2 4.16Å; A518-L533 HydrophobicContact CB-CG 3.61Å; A529-L533 PolarHBondContact O-N 3.42Å; A529-L533 VanDerWaalsContact O-N 3.11Å; L530-L533 PolarHBondContact O-N 3.44Å |
| 534 | S | 73.2 | Confident | 77.9 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | trans | -83.9 | 120.5 | 169.9 | -174 | 0 | 0 | 0 | 0 | 108.4 | L530 | L530-S534 WeakPolarHBondContact O-CB 3.24Å; L530-S534 PolarHBondContact O-N 3.35Å | ||
| 535 | P | 57.1 | Low | 78.1 | Confident | 181 Ų | 181 | 75.7 Ų | 75.7 | 100% | 1.175 | 44% | 0.442 | S | S | * | . | trans | -67.3 | 0 | 173.9 | 29.8 | -35.3 | 0 | 0 | 0 | 112.9 |
Retrieved 535 of 535 residues in 174.4 ms
(Link to these results)