| 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 | 42 | Very low | 241 Ų | 241 | 163.7 Ų | 163.7 | 100% | 1.187 | 86% | 0.857 | S | S | * | * | 0 | 139.5 | 0 | -81.3 | -58.9 | -170.4 | 0 | 0 | 109 | |||||
| 2 | P | 60.8 | Low | 42.8 | Very low | 113 Ų | 113 | 160.3 Ų | 160.3 | 73% | 0.734 | 85% | 0.852 | S | S | * | * | trans | -119.6 | 132.3 | -166.8 | 37.7 | -25.4 | 0 | 0 | 0 | 115.5 | ||||
| 3 | R | 37.3 | Very low | 42.9 | Very low | 250 Ų | 250 | 160.6 Ų | 160.6 | 94% | 0.943 | 85% | 0.849 | S | S | * | * | trans | 179.9 | 154.5 | 148.2 | -109.3 | 178.8 | 165.3 | 93 | -3.2 | 109.1 | ||||
| 4 | A | 37.6 | Very low | 43.6 | Very low | 78 Ų | 78 | 157.9 Ų | 157.9 | 65% | 0.645 | 85% | 0.845 | S | S | * | * | cis | -143.5 | 157.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | Q | 45.8 | Very low | 44.4 | Very low | 193 Ų | 193 | 151.8 Ų | 151.8 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -67.9 | 135.4 | 158 | -66.8 | 165.6 | -67.7 | 0 | 0 | 108.9 | ||||
| 6 | Q | 37.3 | Very low | 45.5 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -121.7 | 100.4 | 153.7 | -78.7 | -168.4 | -12.2 | 0 | 0 | 108.4 | A8 | Q6-A8 PolarHBondContact O-N 3.16Å; Q6-A8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | S | 44.8 | Very low | 47.1 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 95.8 | 169.8 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | A | 39.5 | Very low | 48.8 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 140.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q6 | Q6-A8 PolarHBondContact O-N 3.16Å; Q6-A8 VanDerWaalsContact O-N 3.16Å |
| 9 | S | 38.5 | Very low | 50.6 | Low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130.9 | -173.7 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | Q11 | S9-Q11 PolarHBondContact O-N 3.43Š|
| 10 | Y | 46.6 | Very low | 52.2 | Low | 238 Ų | 238 | 137.3 Ų | 137.3 | 93% | 0.933 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 126.8 | 160 | -88.3 | -100.4 | 0 | 0 | 0 | 110 | ||
| 11 | Q | 38.3 | Very low | 53.7 | Low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | -135.8 | 118.8 | 160.8 | -167.8 | 173.6 | 15 | 0 | 0 | 108.2 | S9 | S9-Q11 PolarHBondContact O-N 3.43Š| ||
| 12 | P | 50.9 | Low | 56.2 | Low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | trans | -81.2 | 129.4 | -174.5 | 30.9 | -33.3 | 0 | 0 | 0 | 111.5 | ||||
| 13 | M | 43.9 | Very low | 57.4 | Low | 165 Ų | 165 | 127.7 Ų | 127.7 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | trans | -127.2 | 147.8 | 162.1 | -75.5 | -65.5 | -74.4 | 0 | 0 | 108.4 | A15 | M13-A15 PolarHBondContact O-N 3.38Š| ||
| 14 | P | 52.4 | Low | 59.8 | Low | 123 Ų | 123 | 118 Ų | 118 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128 | -173.5 | 26.5 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 15 | A | 56.5 | Low | 62.2 | Low | 66 Ų | 66 | 120.5 Ų | 120.5 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -103.7 | 133.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | M13 | M13-A15 PolarHBondContact O-N 3.38Š|
| 16 | D | 61.6 | Low | 64.5 | Low | 87 Ų | 87 | 116.8 Ų | 116.8 | 47% | 0.465 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 129.1 | 178.2 | 159.1 | 44 | 0 | 0 | 0 | 112.4 | F18 A19 M20 | D16-F18 VanDerWaalsContact C-N 3.3Å; D16-F18 PolarHBondContact O-N 3.24Å; D16-F18 PolarHBondContact OD1-N 3.15Å; D16-F18 WeakPolarHBondContact OD2-CB 3.47Å; D16-A19 HydrophobicContact CB-CB 4.28Å; D16-A19 PolarHBondContact O-N 3.15Å; D16-A19 WeakPolarHBondContact OD2-CB 3.43Å; D16-A19 PolarHBondContact OD2-N 3.37Å; D16-M20 WeakPolarHBondContact O-CG 3.45Å; D16-M20 PolarHBondContact O-N 3.06Å; D16-M20 VanDerWaalsContact O-N 3.15Å |
| 17 | P | 73 | Confident | 67.2 | Low | 86 Ų | 86 | 113.1 Ų | 113.1 | 56% | 0.558 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.4 | -36.9 | 174.5 | -26.9 | 35.5 | 0 | 0 | 0 | 114.8 | M20 V21 | P17-M20 WeakPolarHBondContact O-CB 3.41Å; P17-M20 PolarHBondContact O-N 3.34Å; P17-M20 VanDerWaalsContact O-N 3.15Å; P17-V21 PolarHBondContact O-N 2.94Å |
| 18 | F | 77 | Confident | 69.5 | Low | 157 Ų | 157 | 111.6 Ų | 111.6 | 69% | 0.689 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.9 | -47.1 | -178.8 | -174.8 | -101.3 | 0 | 0 | 0 | 110.5 | D16 M20 V21 S22 | D16-F18 VanDerWaalsContact C-N 3.3Å; D16-F18 PolarHBondContact O-N 3.24Å; D16-F18 PolarHBondContact OD1-N 3.15Å; D16-F18 WeakPolarHBondContact OD2-CB 3.47Å; F18-M20 PolarHBondContact O-N 3.32Å; F18-V21 PolarHBondContact O-N 2.89Å; F18-V21 VanDerWaalsContact O-N 3.09Å; F18-S22 PolarHBondContact O-N 3.35Å; F18-S22 PolarHBondContact O-OG 3.02Å |
| 19 | A | 83.3 | Confident | 72.1 | Confident | 32 Ų | 32 | 113.1 Ų | 113.1 | 26% | 0.264 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.9 | -25.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D16 R23 | D16-A19 HydrophobicContact CB-CB 4.28Å; D16-A19 PolarHBondContact O-N 3.15Å; D16-A19 WeakPolarHBondContact OD2-CB 3.43Å; D16-A19 PolarHBondContact OD2-N 3.37Å; A19-R23 WeakPolarHBondContact O-CG 3.42Å; A19-R23 VanDerWaalsContact O-CZ 3.27Å; A19-R23 PolarHBondContact O-N 3.27Å; A19-R23 PolarHBondContact O-NE 3.19Å; A19-R23 PolarHBondContact O-NH2 2.85Å |
| 20 | M | 83.7 | Confident | 74.8 | Confident | 106 Ų | 106 | 111.7 Ų | 111.7 | 52% | 0.522 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.6 | -46.3 | 169.9 | -62.1 | -156.7 | -58.5 | 0 | 0 | 111.8 | D16 P17 F18 R23 A24 | D16-M20 WeakPolarHBondContact O-CG 3.45Å; D16-M20 PolarHBondContact O-N 3.06Å; D16-M20 VanDerWaalsContact O-N 3.15Å; P17-M20 WeakPolarHBondContact O-CB 3.41Å; P17-M20 PolarHBondContact O-N 3.34Å; P17-M20 VanDerWaalsContact O-N 3.15Å; F18-M20 PolarHBondContact O-N 3.32Å; M20-R23 PolarHBondContact O-N 3.09Å; M20-A24 PolarHBondContact O-N 2.98Å |
| 21 | V | 83.6 | Confident | 77.1 | Confident | 95 Ų | 95 | 104.8 Ų | 104.8 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.3 | -43.6 | 179.1 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | P17 F18 R23 A24 Q25 | P17-V21 PolarHBondContact O-N 2.94Å; F18-V21 PolarHBondContact O-N 2.89Å; F18-V21 VanDerWaalsContact O-N 3.09Å; V21-R23 VanDerWaalsContact C-N 3.35Å; V21-R23 PolarHBondContact O-N 2.97Å; V21-A24 PolarHBondContact O-N 3.45Å; V21-Q25 WeakPolarHBondContact O-CB 3.45Å; V21-Q25 PolarHBondContact O-N 3.41Å |
| 22 | S | 87.3 | Confident | 79.7 | Confident | 57 Ų | 57 | 99 Ų | 99 | 40% | 0.399 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.3 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | F18 Q25 Q26 | F18-S22 PolarHBondContact O-N 3.35Å; F18-S22 PolarHBondContact O-OG 3.02Å; S22-Q25 PolarHBondContact O-N 2.96Å; S22-Q26 WeakPolarHBondContact O-CB 3.45Å; S22-Q26 PolarHBondContact O-N 3.24Å |
| 23 | R | 86.8 | Confident | 81.8 | Confident | 138 Ų | 138 | 96.4 Ų | 96.4 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 174.5 | -79.4 | -179.2 | -70.3 | -118.6 | -4.3 | 112.5 | A19 M20 V21 M27 | A19-R23 WeakPolarHBondContact O-CG 3.42Å; A19-R23 VanDerWaalsContact O-CZ 3.27Å; A19-R23 PolarHBondContact O-N 3.27Å; A19-R23 PolarHBondContact O-NE 3.19Å; A19-R23 PolarHBondContact O-NH2 2.85Å; M20-R23 PolarHBondContact O-N 3.09Å; V21-R23 VanDerWaalsContact C-N 3.35Å; V21-R23 PolarHBondContact O-N 2.97Å; R23-M27 VanDerWaalsContact O-CB 3.31Å; R23-M27 WeakPolarHBondContact O-CB 3.18Å; R23-M27 PolarHBondContact O-N 3.43Å |
| 24 | A | 87.7 | Confident | 84.3 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M20 V21 M27 V28 | M20-A24 PolarHBondContact O-N 2.98Å; V21-A24 PolarHBondContact O-N 3.45Å; A24-M27 PolarHBondContact O-N 3.31Å; A24-V28 WeakPolarHBondContact O-CG2 3.37Å; A24-V28 PolarHBondContact O-N 3.37Å |
| 25 | Q | 88.8 | Confident | 86.3 | Confident | 131 Ų | 131 | 90.9 Ų | 90.9 | 61% | 0.612 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.1 | -49.1 | 175.8 | -168.4 | 73.4 | 26.2 | 0 | 0 | 111.2 | V21 S22 M27 V28 E29 | V21-Q25 WeakPolarHBondContact O-CB 3.45Å; V21-Q25 PolarHBondContact O-N 3.41Å; S22-Q25 PolarHBondContact O-N 2.96Å; Q25-M27 VanDerWaalsContact C-N 3.33Å; Q25-M27 PolarHBondContact O-N 2.97Å; Q25-V28 PolarHBondContact O-N 2.94Å; Q25-E29 PolarHBondContact O-N 3.21Å |
| 26 | Q | 93.9 | Very high | 88.2 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.4 | -174.4 | -178.5 | 17.4 | 0 | 0 | 112 | S22 E29 I30 | S22-Q26 WeakPolarHBondContact O-CB 3.45Å; S22-Q26 PolarHBondContact O-N 3.24Å; Q26-E29 PolarHBondContact O-N 2.92Å; Q26-I30 HydrophobicContact CG-CD1 4.03Å; Q26-I30 VanDerWaalsContact O-CG1 3.28Å; Q26-I30 WeakPolarHBondContact O-CG1 3.3Å; Q26-I30 PolarHBondContact O-N 2.93Å |
| 27 | M | 92.6 | Very high | 89.9 | Confident | 113 Ų | 113 | 94 Ų | 94 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.4 | -37.7 | 176.6 | -175.3 | 170.9 | 62.3 | 0 | 0 | 112.2 | R23 A24 Q25 L31 | R23-M27 VanDerWaalsContact O-CB 3.31Å; R23-M27 WeakPolarHBondContact O-CB 3.18Å; R23-M27 PolarHBondContact O-N 3.43Å; A24-M27 PolarHBondContact O-N 3.31Å; Q25-M27 VanDerWaalsContact C-N 3.33Å; Q25-M27 PolarHBondContact O-N 2.97Å; M27-L31 HydrophobicContact CG-CD1 3.98Å; M27-L31 HydrophobicContact CG-CG 4.48Å; M27-L31 VanDerWaalsContact O-CB 3.3Å; M27-L31 WeakPolarHBondContact O-CB 3.31Å; M27-L31 WeakPolarHBondContact O-CD1 3.37Å; M27-L31 WeakPolarHBondContact O-CG 3.28Å; M27-L31 PolarHBondContact O-N 2.99Å |
| 28 | V | 93.6 | Very high | 91 | Very high | 90 Ų | 90 | 94.9 Ų | 94.9 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 174.1 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | A24 Q25 L31 S32 | A24-V28 WeakPolarHBondContact O-CG2 3.37Å; A24-V28 PolarHBondContact O-N 3.37Å; Q25-V28 PolarHBondContact O-N 2.94Å; V28-L31 PolarHBondContact O-N 2.74Å; V28-S32 WeakPolarHBondContact O-CB 3.26Å; V28-S32 PolarHBondContact O-N 2.86Å |
| 29 | E | 93.8 | Very high | 91.9 | Very high | 123 Ų | 123 | 94.9 Ų | 94.9 | 58% | 0.575 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.9 | -51.8 | 175.9 | -172.2 | 166.5 | -146.4 | 0 | 0 | 111 | Q25 Q26 L31 S32 D33 | Q25-E29 PolarHBondContact O-N 3.21Å; Q26-E29 PolarHBondContact O-N 2.92Å; E29-L31 PolarHBondContact O-N 3.04Å; E29-S32 WeakPolarHBondContact O-CA 3.39Å; E29-S32 WeakPolarHBondContact O-CB 3.49Å; E29-S32 PolarHBondContact O-N 2.85Å; E29-S32 PolarHBondContact O-OG 3.18Å; E29-D33 PolarHBondContact O-N 3.28Å |
| 30 | I | 95.3 | Very high | 92.6 | Very high | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.415 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 174.7 | -67.6 | 165.1 | 0 | 0 | 0 | 111.2 | Q26 S32 D33 E34 | Q26-I30 HydrophobicContact CG-CD1 4.03Å; Q26-I30 VanDerWaalsContact O-CG1 3.28Å; Q26-I30 WeakPolarHBondContact O-CG1 3.3Å; Q26-I30 PolarHBondContact O-N 2.93Å; I30-S32 PolarHBondContact O-N 3.44Å; I30-D33 PolarHBondContact O-N 3.48Å; I30-E34 HydrophobicContact CG2-CG 4.41Å; I30-E34 WeakPolarHBondContact O-CB 3.45Å; I30-E34 WeakPolarHBondContact O-CG 3.36Å; I30-E34 PolarHBondContact O-N 2.95Å |
| 31 | L | 95.5 | Very high | 93.2 | Very high | 94 Ų | 94 | 100.8 Ų | 100.8 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -29.6 | 177.3 | -74 | 168.5 | 0 | 0 | 0 | 112.6 | M27 V28 E29 N35 | M27-L31 HydrophobicContact CG-CD1 3.98Å; M27-L31 HydrophobicContact CG-CG 4.48Å; M27-L31 VanDerWaalsContact O-CB 3.3Å; M27-L31 WeakPolarHBondContact O-CB 3.31Å; M27-L31 WeakPolarHBondContact O-CD1 3.37Å; M27-L31 WeakPolarHBondContact O-CG 3.28Å; M27-L31 PolarHBondContact O-N 2.99Å; V28-L31 PolarHBondContact O-N 2.74Å; E29-L31 PolarHBondContact O-N 3.04Å; L31-N35 VanDerWaalsContact O-CB 3.28Å; L31-N35 WeakPolarHBondContact O-CB 3.49Å; L31-N35 PolarHBondContact O-N 2.89Å |
| 32 | S | 92 | Very high | 93.9 | Very high | 52 Ų | 52 | 100.5 Ų | 100.5 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.1 | -35.5 | 175.9 | 84.8 | 0 | 0 | 0 | 0 | 112.5 | V28 E29 I30 N35 R36 | V28-S32 WeakPolarHBondContact O-CB 3.26Å; V28-S32 PolarHBondContact O-N 2.86Å; E29-S32 WeakPolarHBondContact O-CA 3.39Å; E29-S32 WeakPolarHBondContact O-CB 3.49Å; E29-S32 PolarHBondContact O-N 2.85Å; E29-S32 PolarHBondContact O-OG 3.18Å; I30-S32 PolarHBondContact O-N 3.44Å; S32-N35 PolarHBondContact O-N 2.89Å; S32-R36 WeakPolarHBondContact O-CB 3.28Å; S32-R36 PolarHBondContact O-N 2.68Å |
| 33 | D | 95.7 | Very high | 94.4 | Very high | 66 Ų | 66 | 102.4 Ų | 102.4 | 35% | 0.353 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -46.5 | 172.7 | -75.9 | -6.7 | 0 | 0 | 0 | 110.5 | E29 I30 N35 R36 N37 | E29-D33 PolarHBondContact O-N 3.28Å; I30-D33 PolarHBondContact O-N 3.48Å; D33-N35 VanDerWaalsContact C-N 3.34Å; D33-N35 PolarHBondContact O-N 2.83Å; D33-R36 WeakPolarHBondContact O-CB 3.33Å; D33-R36 PolarHBondContact O-N 2.81Å; D33-R36 VanDerWaalsContact O-N 3.13Å; D33-R36 IonicContact OD1-CZ 3.45Å; D33-R36 IonicContact OD1-NH1 2.9Å; D33-R36 PolarHBondContact OD1-NH1 3.33Å; D33-R36 IonicContact OD1-NH2 2.6Å; D33-R36 PolarHBondContact OD1-NH2 3.39Å; D33-N37 WeakPolarHBondContact O-CB 3.44Å; D33-N37 PolarHBondContact O-N 3.33Å; D33-N37 PolarHBondContact O-ND2 2.99Å; D33-N37 PolarHBondContact O-OD1 3.31Å |
| 34 | E | 95.5 | Very high | 94.9 | Very high | 97 Ų | 97 | 96.8 Ų | 96.8 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 171.9 | -72.7 | 176.6 | -178.6 | 0 | 0 | 111.5 | I30 R36 N37 L38 | I30-E34 HydrophobicContact CG2-CG 4.41Å; I30-E34 WeakPolarHBondContact O-CB 3.45Å; I30-E34 WeakPolarHBondContact O-CG 3.36Å; I30-E34 PolarHBondContact O-N 2.95Å; E34-R36 VanDerWaalsContact C-N 3.3Å; E34-R36 PolarHBondContact O-N 2.93Å; E34-N37 PolarHBondContact O-N 3.43Å; E34-L38 WeakPolarHBondContact O-CB 3.44Å; E34-L38 VanDerWaalsContact O-CG 3.26Å; E34-L38 WeakPolarHBondContact O-CG 3.44Å; E34-L38 PolarHBondContact O-N 3.49Å |
| 35 | N | 94.6 | Very high | 95.3 | Very high | 75 Ų | 75 | 97.4 Ų | 97.4 | 40% | 0.401 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -32.1 | 177.1 | -154.3 | -96.2 | 0 | 0 | 0 | 112.6 | L31 S32 D33 R39 | L31-N35 VanDerWaalsContact O-CB 3.28Å; L31-N35 WeakPolarHBondContact O-CB 3.49Å; L31-N35 PolarHBondContact O-N 2.89Å; S32-N35 PolarHBondContact O-N 2.89Å; D33-N35 VanDerWaalsContact C-N 3.34Å; D33-N35 PolarHBondContact O-N 2.83Å; N35-R39 WeakPolarHBondContact O-CD 3.32Å; N35-R39 VanDerWaalsContact O-CG 3.23Å; N35-R39 WeakPolarHBondContact O-CG 3.42Å; N35-R39 PolarHBondContact O-N 3.13Å; N35-R39 VanDerWaalsContact OD1-CZ 3.3Å; N35-R39 PolarHBondContact OD1-NE 3.35Å; N35-R39 PolarHBondContact OD1-NH2 2.69Å |
| 36 | R | 96.3 | Very high | 95.8 | Very high | 137 Ų | 137 | 98.3 Ų | 98.3 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.3 | -44.2 | 174.8 | -161.9 | -173.3 | -47.2 | 109.2 | 11 | 111.2 | S32 D33 E34 R39 Q40 | S32-R36 WeakPolarHBondContact O-CB 3.28Å; S32-R36 PolarHBondContact O-N 2.68Å; D33-R36 WeakPolarHBondContact O-CB 3.33Å; D33-R36 PolarHBondContact O-N 2.81Å; D33-R36 VanDerWaalsContact O-N 3.13Å; D33-R36 IonicContact OD1-CZ 3.45Å; D33-R36 IonicContact OD1-NH1 2.9Å; D33-R36 PolarHBondContact OD1-NH1 3.33Å; D33-R36 IonicContact OD1-NH2 2.6Å; D33-R36 PolarHBondContact OD1-NH2 3.39Å; E34-R36 VanDerWaalsContact C-N 3.3Å; E34-R36 PolarHBondContact O-N 2.93Å; R36-R39 PolarHBondContact O-N 3.38Å; R36-Q40 PolarHBondContact O-N 3.09Å |
| 37 | N | 97.1 | Very high | 96 | Very high | 81 Ų | 81 | 97.9 Ų | 97.9 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.8 | -65.4 | -16.2 | 0 | 0 | 0 | 110.8 | D33 E34 R39 Q40 E41 | D33-N37 WeakPolarHBondContact O-CB 3.44Å; D33-N37 PolarHBondContact O-N 3.33Å; D33-N37 PolarHBondContact O-ND2 2.99Å; D33-N37 PolarHBondContact O-OD1 3.31Å; E34-N37 PolarHBondContact O-N 3.43Å; N37-R39 VanDerWaalsContact C-N 3.3Å; N37-R39 PolarHBondContact O-N 3.43Å; N37-Q40 CarbonylContact O-C 3.57Å; N37-Q40 PolarHBondContact O-N 2.84Å; N37-Q40 VanDerWaalsContact O-N 3.09Å; N37-E41 WeakPolarHBondContact O-CG 3.4Å; N37-E41 PolarHBondContact O-N 3.23Å |
| 38 | L | 97.3 | Very high | 96.2 | Very high | 106 Ų | 106 | 98.1 Ų | 98.1 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.8 | -34.9 | 176.4 | -73.8 | 169.5 | 0 | 0 | 0 | 112.9 | E34 L42 | E34-L38 WeakPolarHBondContact O-CB 3.44Å; E34-L38 VanDerWaalsContact O-CG 3.26Å; E34-L38 WeakPolarHBondContact O-CG 3.44Å; E34-L38 PolarHBondContact O-N 3.49Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 PolarHBondContact O-N 3.47Å |
| 39 | R | 96.1 | Very high | 96.5 | Very high | 157 Ų | 157 | 98 Ų | 98 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.6 | -45.4 | 171.7 | -71.2 | 167.8 | -163.3 | -131.3 | 4.8 | 111.4 | N35 R36 N37 E41 L42 D43 | N35-R39 WeakPolarHBondContact O-CD 3.32Å; N35-R39 VanDerWaalsContact O-CG 3.23Å; N35-R39 WeakPolarHBondContact O-CG 3.42Å; N35-R39 PolarHBondContact O-N 3.13Å; N35-R39 VanDerWaalsContact OD1-CZ 3.3Å; N35-R39 PolarHBondContact OD1-NE 3.35Å; N35-R39 PolarHBondContact OD1-NH2 2.69Å; R36-R39 PolarHBondContact O-N 3.38Å; N37-R39 VanDerWaalsContact C-N 3.3Å; N37-R39 PolarHBondContact O-N 3.43Å; R39-E41 VanDerWaalsContact C-N 3.28Å; R39-E41 PolarHBondContact O-N 3.1Å; R39-L42 WeakPolarHBondContact O-CB 3.38Å; R39-L42 PolarHBondContact O-N 2.84Å; R39-L42 VanDerWaalsContact O-N 3.1Å; R39-D43 PolarHBondContact O-N 2.99Å |
| 40 | Q | 97.3 | Very high | 96.7 | Very high | 139 Ų | 139 | 94.4 Ų | 94.4 | 65% | 0.65 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.6 | -34.1 | 177.2 | -168.8 | 175 | 10.3 | 0 | 0 | 112.4 | R36 N37 G44 | R36-Q40 PolarHBondContact O-N 3.09Å; N37-Q40 CarbonylContact O-C 3.57Å; N37-Q40 PolarHBondContact O-N 2.84Å; N37-Q40 VanDerWaalsContact O-N 3.09Å; Q40-G44 PolarHBondContact O-N 3.46Å |
| 41 | E | 97.2 | Very high | 96.8 | Very high | 122 Ų | 122 | 96.7 Ų | 96.7 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.9 | -39.9 | 170.9 | -73.8 | -175.9 | 171 | 0 | 0 | 112.2 | N37 R39 G44 C45 | N37-E41 WeakPolarHBondContact O-CG 3.4Å; N37-E41 PolarHBondContact O-N 3.23Å; R39-E41 VanDerWaalsContact C-N 3.28Å; R39-E41 PolarHBondContact O-N 3.1Å; E41-G44 CarbonylContact O-C 3.6Å; E41-G44 PolarHBondContact O-N 2.98Å; E41-C45 WeakPolarHBondContact O-CB 3.4Å; E41-C45 PolarHBondContact O-N 2.87Å; E41-C45 PolarHBondContact O-SG 2.87Å |
| 42 | L | 97.4 | Very high | 97 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 175 | -170.8 | 75.9 | 0 | 0 | 0 | 111.5 | L38 R39 C45 Y46 | L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 PolarHBondContact O-N 3.47Å; R39-L42 WeakPolarHBondContact O-CB 3.38Å; R39-L42 PolarHBondContact O-N 2.84Å; R39-L42 VanDerWaalsContact O-N 3.1Å; L42-C45 CarbonylContact O-C 3.59Å; L42-C45 WeakPolarHBondContact O-CA 3.23Å; L42-C45 WeakPolarHBondContact O-CB 3.3Å; L42-C45 PolarHBondContact O-N 3.27Å; L42-Y46 HydrophobicContact CD1-CE2 4.39Å; L42-Y46 HydrophobicContact CD2-CE2 3.85Å; L42-Y46 HydrophobicContact CG-CD2 4.25Å; L42-Y46 HydrophobicContact CG-CE2 3.66Å; L42-Y46 WeakPolarHBondContact O-CD2 3.46Å; L42-Y46 PolarHBondContact O-N 3.22Å |
| 43 | D | 97.1 | Very high | 97.3 | Very high | 97 Ų | 97 | 101.7 Ų | 101.7 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 175.4 | -67.9 | -30.3 | 0 | 0 | 0 | 111 | R39 C45 Y46 E47 | R39-D43 PolarHBondContact O-N 2.99Å; D43-C45 PolarHBondContact O-N 3.03Å; D43-Y46 PolarHBondContact O-N 3.14Å; D43-Y46 VanDerWaalsContact O-N 3.13Å; D43-E47 PolarHBondContact O-N 2.93Å |
| 44 | G | 97.5 | Very high | 97.4 | Very high | 19 Ų | 19 | 105.9 Ų | 105.9 | 20% | 0.196 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -61.3 | -27.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q40 E41 K48 | Q40-G44 PolarHBondContact O-N 3.46Å; E41-G44 CarbonylContact O-C 3.6Å; E41-G44 PolarHBondContact O-N 2.98Å; G44-K48 VanDerWaalsContact O-CD 3.3Å; G44-K48 WeakPolarHBondContact O-CD 3.47Å; G44-K48 WeakPolarHBondContact O-CE 3.31Å; G44-K48 WeakPolarHBondContact O-CG 3.37Å; G44-K48 PolarHBondContact O-N 3.18Å |
| 45 | C | 97.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 105.1 Ų | 105.1 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -76.6 | -40.3 | 171.1 | -76 | 0 | 0 | 0 | 0 | 112.4 | E41 L42 D43 E47 K48 V49 | E41-C45 WeakPolarHBondContact O-CB 3.4Å; E41-C45 PolarHBondContact O-N 2.87Å; E41-C45 PolarHBondContact O-SG 2.87Å; L42-C45 CarbonylContact O-C 3.59Å; L42-C45 WeakPolarHBondContact O-CA 3.23Å; L42-C45 WeakPolarHBondContact O-CB 3.3Å; L42-C45 PolarHBondContact O-N 3.27Å; D43-C45 PolarHBondContact O-N 3.03Å; C45-E47 VanDerWaalsContact C-N 3.34Å; C45-E47 PolarHBondContact O-N 2.91Å; C45-K48 WeakPolarHBondContact O-CB 3.44Å; C45-K48 PolarHBondContact O-N 2.93Å; C45-K48 VanDerWaalsContact O-N 3.14Å; C45-V49 WeakPolarHBondContact O-CG2 3.15Å; C45-V49 PolarHBondContact O-N 3.13Å |
| 46 | Y | 98.1 | Very high | 97.7 | Very high | 149 Ų | 149 | 107.4 Ų | 107.4 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -42.4 | 171.5 | -70.4 | -53.6 | 0 | 0 | 0 | 111.8 | L42 D43 K48 V49 A50 | L42-Y46 HydrophobicContact CD1-CE2 4.39Å; L42-Y46 HydrophobicContact CD2-CE2 3.85Å; L42-Y46 HydrophobicContact CG-CD2 4.25Å; L42-Y46 HydrophobicContact CG-CE2 3.66Å; L42-Y46 WeakPolarHBondContact O-CD2 3.46Å; L42-Y46 PolarHBondContact O-N 3.22Å; D43-Y46 PolarHBondContact O-N 3.14Å; D43-Y46 VanDerWaalsContact O-N 3.13Å; Y46-K48 PolarHBondContact O-N 2.92Å; Y46-V49 PolarHBondContact O-N 2.72Å; Y46-A50 WeakPolarHBondContact O-CB 3.48Å; Y46-A50 PolarHBondContact O-N 3.32Å |
| 47 | E | 97.9 | Very high | 97.8 | Very high | 108 Ų | 108 | 104.4 Ų | 104.4 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 172.9 | -68 | -164.9 | 161.9 | 0 | 0 | 113 | D43 C45 A50 R51 | D43-E47 PolarHBondContact O-N 2.93Å; C45-E47 VanDerWaalsContact C-N 3.34Å; C45-E47 PolarHBondContact O-N 2.91Å; E47-A50 PolarHBondContact O-N 3.35Å; E47-R51 WeakPolarHBondContact O-CB 3.5Å; E47-R51 WeakPolarHBondContact O-CG 3.4Å; E47-R51 PolarHBondContact O-N 3.46Å; E47-R51 PolarHBondContact O-NE 3.44Å; E47-R51 IonicContact OE2-CZ 3.13Å; E47-R51 IonicContact OE2-NH1 2.68Å; E47-R51 PolarHBondContact OE2-NH1 3.45Å; E47-R51 IonicContact OE2-NH2 2.69Å; E47-R51 PolarHBondContact OE2-NH2 3.12Å |
| 48 | K | 98.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 105 Ų | 105 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 176 | -73.8 | 161 | -160.9 | 163.3 | 0 | 110.4 | G44 C45 Y46 R51 L52 | G44-K48 VanDerWaalsContact O-CD 3.3Å; G44-K48 WeakPolarHBondContact O-CD 3.47Å; G44-K48 WeakPolarHBondContact O-CE 3.31Å; G44-K48 WeakPolarHBondContact O-CG 3.37Å; G44-K48 PolarHBondContact O-N 3.18Å; C45-K48 WeakPolarHBondContact O-CB 3.44Å; C45-K48 PolarHBondContact O-N 2.93Å; C45-K48 VanDerWaalsContact O-N 3.14Å; Y46-K48 PolarHBondContact O-N 2.92Å; K48-R51 PolarHBondContact O-N 2.87Å; K48-L52 WeakPolarHBondContact O-CB 3.4Å; K48-L52 VanDerWaalsContact O-CG 3.31Å; K48-L52 WeakPolarHBondContact O-CG 3.46Å; K48-L52 PolarHBondContact O-N 3.31Å |
| 49 | V | 98.5 | Very high | 97.9 | Very high | 87 Ų | 87 | 104.5 Ų | 104.5 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.1 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | C45 Y46 R51 L52 Q53 | C45-V49 WeakPolarHBondContact O-CG2 3.15Å; C45-V49 PolarHBondContact O-N 3.13Å; Y46-V49 PolarHBondContact O-N 2.72Å; V49-R51 VanDerWaalsContact C-N 3.31Å; V49-R51 PolarHBondContact O-N 2.82Å; V49-L52 PolarHBondContact O-N 3.36Å; V49-Q53 WeakPolarHBondContact O-CB 3.41Å; V49-Q53 PolarHBondContact O-N 2.87Å |
| 50 | A | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 101.8 Ų | 101.8 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y46 E47 K54 | Y46-A50 WeakPolarHBondContact O-CB 3.48Å; Y46-A50 PolarHBondContact O-N 3.32Å; E47-A50 PolarHBondContact O-N 3.35Å; A50-K54 WeakPolarHBondContact O-CG 3.46Å; A50-K54 PolarHBondContact O-N 3.38Å |
| 51 | R | 98.2 | Very high | 98 | Very high | 130 Ų | 130 | 101.1 Ų | 101.1 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.9 | -44.9 | 171.7 | -77.4 | -179.4 | -76.2 | -120.2 | -1.3 | 111.7 | E47 K48 V49 K54 V55 | E47-R51 WeakPolarHBondContact O-CB 3.5Å; E47-R51 WeakPolarHBondContact O-CG 3.4Å; E47-R51 PolarHBondContact O-N 3.46Å; E47-R51 PolarHBondContact O-NE 3.44Å; E47-R51 IonicContact OE2-CZ 3.13Å; E47-R51 IonicContact OE2-NH1 2.68Å; E47-R51 PolarHBondContact OE2-NH1 3.45Å; E47-R51 IonicContact OE2-NH2 2.69Å; E47-R51 PolarHBondContact OE2-NH2 3.12Å; K48-R51 PolarHBondContact O-N 2.87Å; V49-R51 VanDerWaalsContact C-N 3.31Å; V49-R51 PolarHBondContact O-N 2.82Å; R51-K54 PolarHBondContact O-N 2.9Å; R51-V55 WeakPolarHBondContact O-CG2 3.37Å; R51-V55 PolarHBondContact O-N 2.85Å |
| 52 | L | 98.3 | Very high | 98.1 | Very high | 117 Ų | 117 | 99.5 Ų | 99.5 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 176.2 | -74.5 | 167.3 | 0 | 0 | 0 | 111.8 | K48 V49 K54 V55 E56 | K48-L52 WeakPolarHBondContact O-CB 3.4Å; K48-L52 VanDerWaalsContact O-CG 3.31Å; K48-L52 WeakPolarHBondContact O-CG 3.46Å; K48-L52 PolarHBondContact O-N 3.31Å; V49-L52 PolarHBondContact O-N 3.36Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 3.3Å; L52-V55 WeakPolarHBondContact O-CB 3.48Å; L52-V55 PolarHBondContact O-N 3.31Å; L52-V55 VanDerWaalsContact O-N 3.12Å; L52-E56 PolarHBondContact O-N 3.07Å |
| 53 | Q | 98.3 | Very high | 98.1 | Very high | 134 Ų | 134 | 97.5 Ų | 97.5 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -37.2 | 178.3 | -169.1 | 178.4 | 12.4 | 0 | 0 | 112.3 | V49 E56 T57 | V49-Q53 WeakPolarHBondContact O-CB 3.41Å; V49-Q53 PolarHBondContact O-N 2.87Å; Q53-E56 PolarHBondContact O-N 3.47Å; Q53-T57 WeakPolarHBondContact O-CG2 3.47Å; Q53-T57 PolarHBondContact O-N 3.23Å; Q53-T57 PolarHBondContact O-OG1 3.06Å |
| 54 | K | 98.1 | Very high | 98.2 | Very high | 154 Ų | 154 | 97.5 Ų | 97.5 | 67% | 0.67 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -47.1 | 171.9 | -75.1 | 175.4 | 179.9 | -179.5 | 0 | 111.5 | A50 R51 L52 E56 T57 E58 | A50-K54 WeakPolarHBondContact O-CG 3.46Å; A50-K54 PolarHBondContact O-N 3.38Å; R51-K54 PolarHBondContact O-N 2.9Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 3.3Å; K54-E56 VanDerWaalsContact C-N 3.32Å; K54-E56 PolarHBondContact O-N 3.04Å; K54-T57 PolarHBondContact O-N 3.42Å; K54-T57 PolarHBondContact O-OG1 3.39Å; K54-E58 PolarHBondContact O-N 3.07Å |
| 55 | V | 98.3 | Very high | 98.2 | Very high | 80 Ų | 80 | 99.4 Ų | 99.4 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | R51 L52 T57 E58 I59 | R51-V55 WeakPolarHBondContact O-CG2 3.37Å; R51-V55 PolarHBondContact O-N 2.85Å; L52-V55 WeakPolarHBondContact O-CB 3.48Å; L52-V55 PolarHBondContact O-N 3.31Å; L52-V55 VanDerWaalsContact O-N 3.12Å; V55-T57 PolarHBondContact O-N 3.28Å; V55-E58 WeakPolarHBondContact O-CB 3.41Å; V55-E58 PolarHBondContact O-N 2.88Å; V55-E58 VanDerWaalsContact O-N 3.07Å; V55-I59 HydrophobicContact CG1-CD1 3.79Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 WeakPolarHBondContact O-CG1 3.49Å; V55-I59 PolarHBondContact O-N 3.38Å |
| 56 | E | 98.2 | Very high | 98.3 | Very high | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.9 | -46.9 | 176.3 | -164.4 | 65.5 | -161.7 | 0 | 0 | 111.9 | L52 Q53 K54 E58 I59 Q60 | L52-E56 PolarHBondContact O-N 3.07Å; Q53-E56 PolarHBondContact O-N 3.47Å; K54-E56 VanDerWaalsContact C-N 3.32Å; K54-E56 PolarHBondContact O-N 3.04Å; E56-E58 PolarHBondContact O-N 2.85Å; E56-I59 PolarHBondContact O-N 2.87Å; E56-Q60 PolarHBondContact O-N 3.36Å |
| 57 | T | 98.1 | Very high | 98.3 | Very high | 74 Ų | 74 | 100.6 Ų | 100.6 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -19.4 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | Q53 K54 V55 R61 | Q53-T57 WeakPolarHBondContact O-CG2 3.47Å; Q53-T57 PolarHBondContact O-N 3.23Å; Q53-T57 PolarHBondContact O-OG1 3.06Å; K54-T57 PolarHBondContact O-N 3.42Å; K54-T57 PolarHBondContact O-OG1 3.39Å; V55-T57 PolarHBondContact O-N 3.28Å; T57-R61 WeakPolarHBondContact O-CB 3.37Å; T57-R61 PolarHBondContact O-N 3.35Å; T57-R61 PolarHBondContact O-NH2 3.27Å |
| 58 | E | 98.3 | Very high | 98.3 | Very high | 93 Ų | 93 | 100.3 Ų | 100.3 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -79.9 | -45 | 171.6 | -159.7 | 63 | -124.2 | 0 | 0 | 110.8 | K54 V55 E56 Q60 R61 V62 | K54-E58 PolarHBondContact O-N 3.07Å; V55-E58 WeakPolarHBondContact O-CB 3.41Å; V55-E58 PolarHBondContact O-N 2.88Å; V55-E58 VanDerWaalsContact O-N 3.07Å; E56-E58 PolarHBondContact O-N 2.85Å; E58-Q60 VanDerWaalsContact C-N 3.31Å; E58-Q60 PolarHBondContact O-N 3.38Å; E58-R61 PolarHBondContact O-N 2.85Å; E58-R61 VanDerWaalsContact O-N 3.16Å; E58-R61 IonicContact OE1-CZ 3.31Å; E58-R61 IonicContact OE1-NH1 3.99Å; E58-R61 PolarHBondContact OE1-NH1 2.92Å; E58-R61 IonicContact OE2-CZ 2.77Å; E58-R61 IonicContact OE2-NH1 3.94Å; E58-R61 PolarHBondContact OE2-NH1 3.37Å; E58-R61 IonicContact OE2-NH2 2.94Å; E58-R61 PolarHBondContact OE2-NH2 2.87Å; E58-V62 WeakPolarHBondContact O-CB 3.49Å; E58-V62 VanDerWaalsContact O-CG2 3.3Å; E58-V62 WeakPolarHBondContact O-CG2 3.36Å; E58-V62 PolarHBondContact O-N 3.02Å |
| 59 | I | 98.1 | Very high | 98.3 | Very high | 96 Ų | 96 | 99.9 Ų | 99.9 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.2 | -46 | 174.6 | -69.9 | 167.2 | 0 | 0 | 0 | 110.5 | V55 E56 V62 S63 | V55-I59 HydrophobicContact CG1-CD1 3.79Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 WeakPolarHBondContact O-CG1 3.49Å; V55-I59 PolarHBondContact O-N 3.38Å; E56-I59 PolarHBondContact O-N 2.87Å; I59-V62 PolarHBondContact O-N 3.16Å; I59-S63 WeakPolarHBondContact O-CB 3.46Å; I59-S63 PolarHBondContact O-N 3.29Å |
| 60 | Q | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 177.4 | -178 | 57.2 | 25.2 | 0 | 0 | 112.5 | E56 E58 S63 E64 | E56-Q60 PolarHBondContact O-N 3.36Å; E58-Q60 VanDerWaalsContact C-N 3.31Å; E58-Q60 PolarHBondContact O-N 3.38Å; Q60-S63 PolarHBondContact O-N 3.32Å; Q60-S63 PolarHBondContact O-OG 3.49Å; Q60-E64 PolarHBondContact NE2-OE1 2.97Å; Q60-E64 WeakPolarHBondContact O-CG 3.35Å; Q60-E64 PolarHBondContact O-N 2.69Å |
| 61 | R | 98.4 | Very high | 98.3 | Very high | 124 Ų | 124 | 101.9 Ų | 101.9 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 177.2 | -162.3 | -174.1 | -46.7 | 122.5 | 18.7 | 112.2 | T57 E58 A65 | T57-R61 WeakPolarHBondContact O-CB 3.37Å; T57-R61 PolarHBondContact O-N 3.35Å; T57-R61 PolarHBondContact O-NH2 3.27Å; E58-R61 PolarHBondContact O-N 2.85Å; E58-R61 VanDerWaalsContact O-N 3.16Å; E58-R61 IonicContact OE1-CZ 3.31Å; E58-R61 IonicContact OE1-NH1 3.99Å; E58-R61 PolarHBondContact OE1-NH1 2.92Å; E58-R61 IonicContact OE2-CZ 2.77Å; E58-R61 IonicContact OE2-NH1 3.94Å; E58-R61 PolarHBondContact OE2-NH1 3.37Å; E58-R61 IonicContact OE2-NH2 2.94Å; E58-R61 PolarHBondContact OE2-NH2 2.87Å; R61-A65 VanDerWaalsContact O-CB 3.3Å; R61-A65 WeakPolarHBondContact O-CB 3.05Å; R61-A65 PolarHBondContact O-N 2.76Å |
| 62 | V | 98.6 | Very high | 98.3 | Very high | 88 Ų | 88 | 98.2 Ų | 98.2 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | E58 I59 A65 Y66 | E58-V62 WeakPolarHBondContact O-CB 3.49Å; E58-V62 VanDerWaalsContact O-CG2 3.3Å; E58-V62 WeakPolarHBondContact O-CG2 3.36Å; E58-V62 PolarHBondContact O-N 3.02Å; I59-V62 PolarHBondContact O-N 3.16Å; V62-A65 PolarHBondContact O-N 2.85Å; V62-Y66 VanDerWaalsContact O-CB 3.32Å; V62-Y66 WeakPolarHBondContact O-CB 3.43Å; V62-Y66 PolarHBondContact O-N 3.09Å |
| 63 | S | 97.9 | Very high | 98.3 | Very high | 49 Ų | 49 | 94.1 Ų | 94.1 | 34% | 0.343 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 176 | 77.6 | 0 | 0 | 0 | 0 | 111.6 | I59 Q60 Y66 E67 | I59-S63 WeakPolarHBondContact O-CB 3.46Å; I59-S63 PolarHBondContact O-N 3.29Å; Q60-S63 PolarHBondContact O-N 3.32Å; Q60-S63 PolarHBondContact O-OG 3.49Å; S63-Y66 PolarHBondContact O-N 2.64Å; S63-E67 WeakPolarHBondContact O-CB 3.41Å; S63-E67 WeakPolarHBondContact O-CG 3.32Å; S63-E67 PolarHBondContact O-N 2.77Å |
| 64 | E | 98.3 | Very high | 98.3 | Very high | 97 Ų | 97 | 91.2 Ų | 91.2 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 172.8 | -73.3 | 170.6 | -163 | 0 | 0 | 112.3 | Q60 E67 N68 | Q60-E64 PolarHBondContact NE2-OE1 2.97Å; Q60-E64 WeakPolarHBondContact O-CG 3.35Å; Q60-E64 PolarHBondContact O-N 2.69Å; E64-E67 PolarHBondContact O-N 2.91Å; E64-N68 WeakPolarHBondContact O-CB 3.3Å; E64-N68 VanDerWaalsContact O-CG 3.28Å; E64-N68 PolarHBondContact O-N 3.5Å; E64-N68 PolarHBondContact O-ND2 3.4Å |
| 65 | A | 98.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 90.9 Ų | 90.9 | 49% | 0.488 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | R61 V62 N68 L69 | R61-A65 VanDerWaalsContact O-CB 3.3Å; R61-A65 WeakPolarHBondContact O-CB 3.05Å; R61-A65 PolarHBondContact O-N 2.76Å; V62-A65 PolarHBondContact O-N 2.85Å; A65-N68 PolarHBondContact O-N 3.5Å; A65-L69 WeakPolarHBondContact O-CB 3.3Å; A65-L69 PolarHBondContact O-N 3.49Å |
| 66 | Y | 98.6 | Very high | 98.3 | Very high | 147 Ų | 147 | 93.5 Ų | 93.5 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.8 | -49.4 | 174.5 | 174.8 | -94.6 | 0 | 0 | 0 | 111.7 | V62 S63 N68 L69 V70 | V62-Y66 VanDerWaalsContact O-CB 3.32Å; V62-Y66 WeakPolarHBondContact O-CB 3.43Å; V62-Y66 PolarHBondContact O-N 3.09Å; S63-Y66 PolarHBondContact O-N 2.64Å; Y66-N68 VanDerWaalsContact C-N 3.31Å; Y66-N68 PolarHBondContact O-N 3.37Å; Y66-L69 WeakPolarHBondContact O-CB 3.4Å; Y66-L69 PolarHBondContact O-N 2.87Å; Y66-L69 VanDerWaalsContact O-N 3.09Å; Y66-V70 HydrophobicContact CD1-CG2 4.14Å; Y66-V70 HydrophobicContact CD2-CG2 4.49Å; Y66-V70 HydrophobicContact CE1-CG2 3.68Å; Y66-V70 HydrophobicContact CE2-CG2 4.07Å; Y66-V70 WeakPolarHBondContact O-CG2 3.28Å; Y66-V70 PolarHBondContact O-N 2.97Å |
| 67 | E | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 92.4 Ų | 92.4 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.4 | -42 | 177.3 | -88.4 | -68.8 | 112.9 | 0 | 0 | 112.3 | S63 E64 V70 K71 | S63-E67 WeakPolarHBondContact O-CB 3.41Å; S63-E67 WeakPolarHBondContact O-CG 3.32Å; S63-E67 PolarHBondContact O-N 2.77Å; E64-E67 PolarHBondContact O-N 2.91Å; E67-V70 PolarHBondContact O-N 2.89Å; E67-K71 WeakPolarHBondContact O-CB 3.23Å; E67-K71 VanDerWaalsContact O-CD 3.28Å; E67-K71 WeakPolarHBondContact O-CD 3.35Å; E67-K71 VanDerWaalsContact O-CG 3.23Å; E67-K71 WeakPolarHBondContact O-CG 3.42Å; E67-K71 PolarHBondContact O-N 2.91Å; E67-K71 WeakPolarHBondContact OE2-CE 3.37Å; E67-K71 IonicContact OE2-NZ 3.18Å; E67-K71 PolarHBondContact OE2-NZ 2.82Å |
| 68 | N | 98.3 | Very high | 98.3 | Very high | 103 Ų | 103 | 91.7 Ų | 91.7 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | 175 | -74.4 | -44.1 | 0 | 0 | 0 | 112.2 | E64 A65 Y66 S72 | E64-N68 WeakPolarHBondContact O-CB 3.3Å; E64-N68 VanDerWaalsContact O-CG 3.28Å; E64-N68 PolarHBondContact O-N 3.5Å; E64-N68 PolarHBondContact O-ND2 3.4Å; A65-N68 PolarHBondContact O-N 3.5Å; Y66-N68 VanDerWaalsContact C-N 3.31Å; Y66-N68 PolarHBondContact O-N 3.37Å; N68-S72 WeakPolarHBondContact O-CB 3.23Å; N68-S72 PolarHBondContact O-N 2.91Å |
| 69 | L | 98.4 | Very high | 98.3 | Very high | 108 Ų | 108 | 92.7 Ų | 92.7 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63 | -47.6 | 173.6 | 180 | 61 | 0 | 0 | 0 | 111.4 | A65 Y66 S72 S73 | A65-L69 WeakPolarHBondContact O-CB 3.3Å; A65-L69 PolarHBondContact O-N 3.49Å; Y66-L69 WeakPolarHBondContact O-CB 3.4Å; Y66-L69 PolarHBondContact O-N 2.87Å; Y66-L69 VanDerWaalsContact O-N 3.09Å; L69-S72 PolarHBondContact O-N 2.94Å; L69-S72 PolarHBondContact O-OG 2.98Å; L69-S73 PolarHBondContact O-N 2.89Å |
| 70 | V | 98.6 | Very high | 98.3 | Very high | 60 Ų | 60 | 92.2 Ų | 92.2 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 111 | Y66 E67 S72 S73 S74 | Y66-V70 HydrophobicContact CD1-CG2 4.14Å; Y66-V70 HydrophobicContact CD2-CG2 4.49Å; Y66-V70 HydrophobicContact CE1-CG2 3.68Å; Y66-V70 HydrophobicContact CE2-CG2 4.07Å; Y66-V70 WeakPolarHBondContact O-CG2 3.28Å; Y66-V70 PolarHBondContact O-N 2.97Å; E67-V70 PolarHBondContact O-N 2.89Å; V70-S72 VanDerWaalsContact C-N 3.33Å; V70-S72 PolarHBondContact O-N 2.58Å; V70-S73 PolarHBondContact O-N 3.13Å; V70-S73 VanDerWaalsContact O-N 3.13Å; V70-S74 PolarHBondContact O-N 3.49Å |
| 71 | K | 98.5 | Very high | 98.3 | Very high | 117 Ų | 117 | 94 Ų | 94 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 176.3 | -71.3 | 159.6 | -166.4 | 157.5 | 0 | 112 | E67 S73 K75 | E67-K71 WeakPolarHBondContact O-CB 3.23Å; E67-K71 VanDerWaalsContact O-CD 3.28Å; E67-K71 WeakPolarHBondContact O-CD 3.35Å; E67-K71 VanDerWaalsContact O-CG 3.23Å; E67-K71 WeakPolarHBondContact O-CG 3.42Å; E67-K71 PolarHBondContact O-N 2.91Å; E67-K71 WeakPolarHBondContact OE2-CE 3.37Å; E67-K71 IonicContact OE2-NZ 3.18Å; E67-K71 PolarHBondContact OE2-NZ 2.82Å; K71-S73 VanDerWaalsContact C-N 3.34Å; K71-K75 WeakPolarHBondContact O-CB 3.27Å; K71-K75 PolarHBondContact O-N 2.91Å; K71-K75 VanDerWaalsContact O-N 3.12Å |
| 72 | S | 98.1 | Very high | 98.3 | Very high | 53 Ų | 53 | 90.2 Ų | 90.2 | 37% | 0.371 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 175.2 | 84.2 | 0 | 0 | 0 | 0 | 112.6 | N68 L69 V70 R76 | N68-S72 WeakPolarHBondContact O-CB 3.23Å; N68-S72 PolarHBondContact O-N 2.91Å; L69-S72 PolarHBondContact O-N 2.94Å; L69-S72 PolarHBondContact O-OG 2.98Å; V70-S72 VanDerWaalsContact C-N 3.33Å; V70-S72 PolarHBondContact O-N 2.58Å; S72-R76 WeakPolarHBondContact O-CB 3.34Å; S72-R76 PolarHBondContact O-N 3.22Å |
| 73 | S | 97.8 | Very high | 98.3 | Very high | 31 Ų | 31 | 91.5 Ų | 91.5 | 22% | 0.217 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -72.1 | -49.1 | 179.4 | -154.3 | 0 | 0 | 0 | 0 | 111.4 | L69 V70 K71 K75 R76 E77 | L69-S73 PolarHBondContact O-N 2.89Å; V70-S73 PolarHBondContact O-N 3.13Å; V70-S73 VanDerWaalsContact O-N 3.13Å; K71-S73 VanDerWaalsContact C-N 3.34Å; S73-K75 PolarHBondContact O-N 2.87Å; S73-R76 CarbonylContact O-C 3.54Å; S73-R76 WeakPolarHBondContact O-CA 3.3Å; S73-R76 VanDerWaalsContact O-CB 3.3Å; S73-R76 WeakPolarHBondContact O-CB 3.39Å; S73-R76 PolarHBondContact O-N 3.41Å; S73-R76 PolarHBondContact OG-NH1 2.73Å; S73-E77 VanDerWaalsContact CB-OE1 3.23Å; S73-E77 WeakPolarHBondContact CB-OE1 3.32Å; S73-E77 VanDerWaalsContact O-CD 3.32Å; S73-E77 WeakPolarHBondContact O-CG 3.34Å; S73-E77 PolarHBondContact O-N 3.21Å; S73-E77 PolarHBondContact OG-OE1 2.9Å |
| 74 | S | 98.1 | Very high | 98.4 | Very high | 72 Ų | 72 | 94.8 Ų | 94.8 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.6 | -40 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | V70 A78 | V70-S74 PolarHBondContact O-N 3.49Å; S74-A78 VanDerWaalsContact O-CB 3.27Å; S74-A78 WeakPolarHBondContact O-CB 3.19Å; S74-A78 PolarHBondContact O-N 2.69Å |
| 75 | K | 98.5 | Very high | 98.4 | Very high | 147 Ų | 147 | 94.2 Ų | 94.2 | 64% | 0.639 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.1 | -39.4 | 173.2 | -173.1 | 175 | -179.3 | 178.6 | 0 | 112.8 | K71 S73 L79 | K71-K75 WeakPolarHBondContact O-CB 3.27Å; K71-K75 PolarHBondContact O-N 2.91Å; K71-K75 VanDerWaalsContact O-N 3.12Å; S73-K75 PolarHBondContact O-N 2.87Å; K75-L79 HydrophobicContact CG-CD1 4.4Å; K75-L79 WeakPolarHBondContact O-CG 3.44Å; K75-L79 PolarHBondContact O-N 3.45Å; K75-L79 VanDerWaalsContact O-N 3.11Å |
| 76 | R | 98.4 | Very high | 98.4 | Very high | 136 Ų | 136 | 99.3 Ų | 99.3 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -48 | 176.1 | -163 | -169.2 | -47.3 | 102.2 | 7.5 | 111 | S72 S73 A78 L79 E80 | S72-R76 WeakPolarHBondContact O-CB 3.34Å; S72-R76 PolarHBondContact O-N 3.22Å; S73-R76 CarbonylContact O-C 3.54Å; S73-R76 WeakPolarHBondContact O-CA 3.3Å; S73-R76 VanDerWaalsContact O-CB 3.3Å; S73-R76 WeakPolarHBondContact O-CB 3.39Å; S73-R76 PolarHBondContact O-N 3.41Å; S73-R76 PolarHBondContact OG-NH1 2.73Å; R76-A78 PolarHBondContact O-N 2.85Å; R76-L79 PolarHBondContact O-N 3.21Å; R76-E80 WeakPolarHBondContact O-CB 3.32Å; R76-E80 PolarHBondContact O-N 3.46Å |
| 77 | E | 97.9 | Very high | 98.4 | Very high | 101 Ų | 101 | 97 Ų | 97 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 177.7 | -68.5 | 150.8 | -137.6 | 0 | 0 | 111.7 | S73 E80 K81 | S73-E77 VanDerWaalsContact CB-OE1 3.23Å; S73-E77 WeakPolarHBondContact CB-OE1 3.32Å; S73-E77 VanDerWaalsContact O-CD 3.32Å; S73-E77 WeakPolarHBondContact O-CG 3.34Å; S73-E77 PolarHBondContact O-N 3.21Å; S73-E77 PolarHBondContact OG-OE1 2.9Å; E77-E80 PolarHBondContact O-N 3.12Å; E77-K81 WeakPolarHBondContact O-CB 3.47Å; E77-K81 PolarHBondContact O-N 3.04Å |
| 78 | A | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 97.2 Ų | 97.2 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S74 R76 A82 | S74-A78 VanDerWaalsContact O-CB 3.27Å; S74-A78 WeakPolarHBondContact O-CB 3.19Å; S74-A78 PolarHBondContact O-N 2.69Å; R76-A78 PolarHBondContact O-N 2.85Å; A78-A82 WeakPolarHBondContact O-CB 3.31Å; A78-A82 PolarHBondContact O-N 2.84Å |
| 79 | L | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 93.2 Ų | 93.2 | 60% | 0.597 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.1 | -41.8 | 175.6 | -72.5 | 171.2 | 0 | 0 | 0 | 112.1 | K75 R76 A82 M83 | K75-L79 HydrophobicContact CG-CD1 4.4Å; K75-L79 WeakPolarHBondContact O-CG 3.44Å; K75-L79 PolarHBondContact O-N 3.45Å; K75-L79 VanDerWaalsContact O-N 3.11Å; R76-L79 PolarHBondContact O-N 3.21Å; L79-A82 PolarHBondContact O-N 2.89Å; L79-M83 PolarHBondContact O-N 2.92Å |
| 80 | E | 98.3 | Very high | 98.4 | Very high | 87 Ų | 87 | 92 Ų | 92 | 41% | 0.407 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.7 | -164.4 | -163.8 | -155.3 | 0 | 0 | 111.1 | R76 E77 M83 R84 | R76-E80 WeakPolarHBondContact O-CB 3.32Å; R76-E80 PolarHBondContact O-N 3.46Å; E77-E80 PolarHBondContact O-N 3.12Å; E80-M83 PolarHBondContact O-N 3.27Å; E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 3.11Å; E80-R84 IonicContact OE1-CZ 3.49Å; E80-R84 IonicContact OE1-NH1 2.82Å; E80-R84 IonicContact OE1-NH2 2.64Å; E80-R84 PolarHBondContact OE1-NH2 3.27Å; E80-R84 IonicContact OE2-CZ 2.67Å; E80-R84 IonicContact OE2-NH1 2.72Å; E80-R84 PolarHBondContact OE2-NH1 2.74Å; E80-R84 IonicContact OE2-NH2 3.48Å; E80-R84 PolarHBondContact OE2-NH2 2.88Å |
| 81 | K | 98.7 | Very high | 98.4 | Very high | 136 Ų | 136 | 93.9 Ų | 93.9 | 59% | 0.591 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 172.3 | -173.1 | 171.8 | -175.8 | 173.2 | 0 | 111.8 | E77 M83 R84 N85 | E77-K81 WeakPolarHBondContact O-CB 3.47Å; E77-K81 PolarHBondContact O-N 3.04Å; K81-M83 VanDerWaalsContact C-N 3.31Å; K81-M83 PolarHBondContact O-N 3.45Å; K81-R84 PolarHBondContact O-N 3.28Å; K81-N85 VanDerWaalsContact O-CB 3.31Å; K81-N85 WeakPolarHBondContact O-CB 3.49Å; K81-N85 PolarHBondContact O-N 2.94Å; K81-N85 PolarHBondContact O-OD1 2.72Å |
| 82 | A | 98.5 | Very high | 98.4 | Very high | 46 Ų | 46 | 95.5 Ų | 95.5 | 38% | 0.38 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -34 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A78 L79 K86 | A78-A82 WeakPolarHBondContact O-CB 3.31Å; A78-A82 PolarHBondContact O-N 2.84Å; L79-A82 PolarHBondContact O-N 2.89Å; A82-K86 WeakPolarHBondContact O-CG 3.33Å; A82-K86 PolarHBondContact O-N 2.9Å |
| 83 | M | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 99.4 Ų | 99.4 | 56% | 0.562 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71 | -47.3 | 174.5 | -167.1 | -179.2 | 78.8 | 0 | 0 | 111.8 | L79 E80 K81 K86 L87 | L79-M83 PolarHBondContact O-N 2.92Å; E80-M83 PolarHBondContact O-N 3.27Å; K81-M83 VanDerWaalsContact C-N 3.31Å; K81-M83 PolarHBondContact O-N 3.45Å; M83-K86 PolarHBondContact O-N 3.12Å; M83-L87 HydrophobicContact CG-CD1 4.3Å; M83-L87 WeakPolarHBondContact O-CG 3.31Å; M83-L87 PolarHBondContact O-N 3.03Å |
| 84 | R | 98.3 | Very high | 98.4 | Very high | 119 Ų | 119 | 102.2 Ų | 102.2 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -54.1 | -54.2 | 173.2 | -74.3 | -171.3 | -177.1 | 99.5 | 8.8 | 111.1 | E80 K81 K86 L87 E88 | E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 3.11Å; E80-R84 IonicContact OE1-CZ 3.49Å; E80-R84 IonicContact OE1-NH1 2.82Å; E80-R84 IonicContact OE1-NH2 2.64Å; E80-R84 PolarHBondContact OE1-NH2 3.27Å; E80-R84 IonicContact OE2-CZ 2.67Å; E80-R84 IonicContact OE2-NH1 2.72Å; E80-R84 PolarHBondContact OE2-NH1 2.74Å; E80-R84 IonicContact OE2-NH2 3.48Å; E80-R84 PolarHBondContact OE2-NH2 2.88Å; K81-R84 PolarHBondContact O-N 3.28Å; R84-K86 VanDerWaalsContact C-N 3.25Å; R84-K86 PolarHBondContact O-N 3.22Å; R84-K86 VanDerWaalsContact O-N 3.17Å; R84-L87 PolarHBondContact O-N 3.33Å; R84-L87 VanDerWaalsContact O-N 3.08Å; R84-E88 WeakPolarHBondContact O-CB 3.41Å; R84-E88 VanDerWaalsContact O-CG 3.31Å; R84-E88 WeakPolarHBondContact O-CG 3.49Å; R84-E88 PolarHBondContact O-N 2.85Å |
| 85 | N | 98.5 | Very high | 98.4 | Very high | 85 Ų | 85 | 105 Ų | 105 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -54.4 | -38.1 | 178.2 | -71.6 | 2.7 | 0 | 0 | 0 | 113.1 | K81 G89 | K81-N85 VanDerWaalsContact O-CB 3.31Å; K81-N85 WeakPolarHBondContact O-CB 3.49Å; K81-N85 PolarHBondContact O-N 2.94Å; K81-N85 PolarHBondContact O-OD1 2.72Å; N85-G89 PolarHBondContact O-N 3.08Å |
| 86 | K | 98.6 | Very high | 98.5 | Very high | 165 Ų | 165 | 101.2 Ų | 101.2 | 72% | 0.717 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.2 | -47 | 176.7 | -81.2 | 179.5 | 175.4 | -174.6 | 0 | 112 | A82 M83 R84 G89 E90 | A82-K86 WeakPolarHBondContact O-CG 3.33Å; A82-K86 PolarHBondContact O-N 2.9Å; M83-K86 PolarHBondContact O-N 3.12Å; R84-K86 VanDerWaalsContact C-N 3.25Å; R84-K86 PolarHBondContact O-N 3.22Å; R84-K86 VanDerWaalsContact O-N 3.17Å; K86-G89 PolarHBondContact O-N 3.05Å; K86-E90 PolarHBondContact O-N 3.2Å |
| 87 | L | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 100.2 Ų | 100.2 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 178.8 | -66.2 | 172.4 | 0 | 0 | 0 | 111.4 | M83 R84 G89 E90 I91 | M83-L87 HydrophobicContact CG-CD1 4.3Å; M83-L87 WeakPolarHBondContact O-CG 3.31Å; M83-L87 PolarHBondContact O-N 3.03Å; R84-L87 PolarHBondContact O-N 3.33Å; R84-L87 VanDerWaalsContact O-N 3.08Å; L87-G89 PolarHBondContact O-N 3.17Å; L87-E90 PolarHBondContact O-N 3.21Å; L87-E90 VanDerWaalsContact O-N 3.16Å; L87-I91 WeakPolarHBondContact O-CB 3.47Å; L87-I91 WeakPolarHBondContact O-CD1 3.48Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3.41Å; L87-I91 PolarHBondContact O-N 3.19Å |
| 88 | E | 98.3 | Very high | 98.5 | Very high | 89 Ų | 89 | 98.6 Ų | 98.6 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -29 | 173 | -69.5 | 165.1 | -154.6 | 0 | 0 | 112.9 | R84 R92 | R84-E88 WeakPolarHBondContact O-CB 3.41Å; R84-E88 VanDerWaalsContact O-CG 3.31Å; R84-E88 WeakPolarHBondContact O-CG 3.49Å; R84-E88 PolarHBondContact O-N 2.85Å; E88-R92 WeakPolarHBondContact O-CB 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.29Å; E88-R92 PolarHBondContact O-N 2.97Å; E88-R92 PolarHBondContact O-NE 2.95Å |
| 89 | G | 98.3 | Very high | 98.5 | Very high | 19 Ų | 19 | 101 Ų | 101 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -73.8 | -37.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | N85 K86 L87 R93 | N85-G89 PolarHBondContact O-N 3.08Å; K86-G89 PolarHBondContact O-N 3.05Å; L87-G89 PolarHBondContact O-N 3.17Å; G89-R93 PolarHBondContact O-N 3.21Å; G89-R93 VanDerWaalsContact O-N 3.12Å |
| 90 | E | 98.5 | Very high | 98.5 | Very high | 83 Ų | 83 | 99.6 Ų | 99.6 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.5 | -48.2 | 173.5 | -165.2 | 64.1 | -110.7 | 0 | 0 | 111.3 | K86 L87 R92 R93 M94 | K86-E90 PolarHBondContact O-N 3.2Å; L87-E90 PolarHBondContact O-N 3.21Å; L87-E90 VanDerWaalsContact O-N 3.16Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 3.35Å; E90-R93 VanDerWaalsContact CD-NH1 3.31Å; E90-R93 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-CZ 2.69Å; E90-R93 IonicContact OE1-NH1 2.76Å; E90-R93 PolarHBondContact OE1-NH1 2.96Å; E90-R93 IonicContact OE1-NH2 2.74Å; E90-R93 PolarHBondContact OE1-NH2 2.87Å; E90-R93 IonicContact OE2-CZ 3.63Å; E90-R93 IonicContact OE2-NH1 2.69Å; E90-R93 PolarHBondContact OE2-NH1 2.84Å; E90-R93 IonicContact OE2-NH2 3.57Å; E90-R93 PolarHBondContact OE2-NH2 3.33Å; E90-M94 WeakPolarHBondContact O-CB 3.46Å; E90-M94 WeakPolarHBondContact O-CG 3.36Å; E90-M94 PolarHBondContact O-N 2.9Å |
| 91 | I | 98.4 | Very high | 98.5 | Very high | 100 Ų | 100 | 99.5 Ų | 99.5 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.7 | -45.1 | 176.9 | -71 | 161.1 | 0 | 0 | 0 | 110.6 | L87 M94 H95 | L87-I91 WeakPolarHBondContact O-CB 3.47Å; L87-I91 WeakPolarHBondContact O-CD1 3.48Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3.41Å; L87-I91 PolarHBondContact O-N 3.19Å; I91-M94 PolarHBondContact O-N 2.98Å; I91-H95 WeakPolarHBondContact O-CB 3.47Å; I91-H95 PolarHBondContact O-CD2 3.24Å; I91-H95 PolarHBondContact O-N 2.88Å |
| 92 | R | 98.6 | Very high | 98.5 | Very high | 150 Ų | 150 | 100.2 Ų | 100.2 | 57% | 0.566 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.1 | -53 | 175.7 | -81.3 | 177.1 | -74.8 | 170.1 | -9.1 | 112.5 | E88 E90 M94 H95 D96 | E88-R92 WeakPolarHBondContact O-CB 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.29Å; E88-R92 PolarHBondContact O-N 2.97Å; E88-R92 PolarHBondContact O-NE 2.95Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 3.35Å; R92-M94 VanDerWaalsContact C-N 3.26Å; R92-M94 PolarHBondContact O-N 2.89Å; R92-H95 CarbonylContact O-C 3.58Å; R92-H95 WeakPolarHBondContact O-CA 3.47Å; R92-H95 WeakPolarHBondContact O-CB 3.42Å; R92-H95 PolarHBondContact O-N 3.26Å; R92-D96 PolarHBondContact O-N 3.33Å |
| 93 | R | 98.7 | Very high | 98.5 | Very high | 136 Ų | 136 | 101.5 Ų | 101.5 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.3 | -39 | 178.2 | -77.3 | -173.9 | -73 | 95.9 | 0.6 | 112.7 | G89 E90 F97 | G89-R93 PolarHBondContact O-N 3.21Å; G89-R93 VanDerWaalsContact O-N 3.12Å; E90-R93 VanDerWaalsContact CD-NH1 3.31Å; E90-R93 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-CZ 2.69Å; E90-R93 IonicContact OE1-NH1 2.76Å; E90-R93 PolarHBondContact OE1-NH1 2.96Å; E90-R93 IonicContact OE1-NH2 2.74Å; E90-R93 PolarHBondContact OE1-NH2 2.87Å; E90-R93 IonicContact OE2-CZ 3.63Å; E90-R93 IonicContact OE2-NH1 2.69Å; E90-R93 PolarHBondContact OE2-NH1 2.84Å; E90-R93 IonicContact OE2-NH2 3.57Å; E90-R93 PolarHBondContact OE2-NH2 3.33Å; R93-F97 VanDerWaalsContact O-CB 3.31Å; R93-F97 WeakPolarHBondContact O-CB 3.41Å; R93-F97 PolarHBondContact O-N 2.69Å |
| 94 | M | 98.4 | Very high | 98.5 | Very high | 90 Ų | 90 | 105.4 Ų | 105.4 | 44% | 0.443 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.1 | -35.5 | 174.7 | -71.5 | -57.9 | -60 | 0 | 0 | 112.6 | E90 I91 R92 N98 | E90-M94 WeakPolarHBondContact O-CB 3.46Å; E90-M94 WeakPolarHBondContact O-CG 3.36Å; E90-M94 PolarHBondContact O-N 2.9Å; I91-M94 PolarHBondContact O-N 2.98Å; R92-M94 VanDerWaalsContact C-N 3.26Å; R92-M94 PolarHBondContact O-N 2.89Å; M94-N98 VanDerWaalsContact O-CB 3.32Å; M94-N98 WeakPolarHBondContact O-CB 3.31Å; M94-N98 PolarHBondContact O-N 2.84Å; M94-N98 PolarHBondContact O-ND2 2.72Å |
| 95 | H | 98.6 | Very high | 98.5 | Very high | 130 Ų | 130 | 104.7 Ų | 104.7 | 60% | 0.602 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.1 | -44.1 | 173 | -97.8 | -91.9 | 0 | 0 | 0 | 112.5 | I91 R92 N98 R99 | I91-H95 WeakPolarHBondContact O-CB 3.47Å; I91-H95 PolarHBondContact O-CD2 3.24Å; I91-H95 PolarHBondContact O-N 2.88Å; R92-H95 CarbonylContact O-C 3.58Å; R92-H95 WeakPolarHBondContact O-CA 3.47Å; R92-H95 WeakPolarHBondContact O-CB 3.42Å; R92-H95 PolarHBondContact O-N 3.26Å; H95-N98 PolarHBondContact O-N 3.49Å; H95-R99 PolarHBondContact O-N 2.86Å |
| 96 | D | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 107.2 Ų | 107.2 | 36% | 0.358 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -51.3 | 175.7 | -72.7 | -53.1 | 0 | 0 | 0 | 110.6 | R92 N98 R99 D100 | R92-D96 PolarHBondContact O-N 3.33Å; D96-N98 VanDerWaalsContact C-N 3.28Å; D96-N98 PolarHBondContact O-N 2.86Å; D96-R99 WeakPolarHBondContact O-CA 3.43Å; D96-R99 WeakPolarHBondContact O-CB 3.39Å; D96-R99 PolarHBondContact O-N 3.16Å; D96-R99 IonicContact OD1-CZ 3.24Å; D96-R99 VanDerWaalsContact OD1-CZ 3.24Å; D96-R99 IonicContact OD1-NH1 3.76Å; D96-R99 PolarHBondContact OD1-NH1 3.31Å; D96-R99 IonicContact OD1-NH2 3.21Å; D96-R99 PolarHBondContact OD1-NH2 3.45Å; D96-D100 VanDerWaalsContact O-CG 3.22Å; D96-D100 PolarHBondContact O-N 2.69Å; D96-D100 VanDerWaalsContact O-OD1 3.11Å |
| 97 | F | 98.5 | Very high | 98.4 | Very high | 116 Ų | 116 | 103 Ų | 103 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.8 | -38.6 | 175.7 | -179.8 | -108.6 | 0 | 0 | 0 | 113 | R93 L101 | R93-F97 VanDerWaalsContact O-CB 3.31Å; R93-F97 WeakPolarHBondContact O-CB 3.41Å; R93-F97 PolarHBondContact O-N 2.69Å; F97-L101 HydrophobicContact CD1-CD1 3.97Å; F97-L101 HydrophobicContact CE1-CD1 3.46Å; F97-L101 VanDerWaalsContact CE1-CD1 3.46Å; F97-L101 HydrophobicContact CE1-CG 4.22Å; F97-L101 HydrophobicContact CE2-CD1 4.43Å; F97-L101 HydrophobicContact CE2-CG 4.36Å; F97-L101 HydrophobicContact CZ-CD1 3.73Å; F97-L101 HydrophobicContact CZ-CD2 4.42Å; F97-L101 HydrophobicContact CZ-CG 4.12Å; F97-L101 WeakPolarHBondContact O-CB 3.31Å; F97-L101 WeakPolarHBondContact O-CG 3.41Å; F97-L101 PolarHBondContact O-N 2.94Å |
| 98 | N | 98.6 | Very high | 98.4 | Very high | 66 Ų | 66 | 100.3 Ų | 100.3 | 35% | 0.353 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.5 | -24.9 | 174.6 | -84.1 | -79.1 | 0 | 0 | 0 | 113.4 | M94 H95 D96 R102 | M94-N98 VanDerWaalsContact O-CB 3.32Å; M94-N98 WeakPolarHBondContact O-CB 3.31Å; M94-N98 PolarHBondContact O-N 2.84Å; M94-N98 PolarHBondContact O-ND2 2.72Å; H95-N98 PolarHBondContact O-N 3.49Å; D96-N98 VanDerWaalsContact C-N 3.28Å; D96-N98 PolarHBondContact O-N 2.86Å; N98-R102 VanDerWaalsContact O-CG 3.31Å; N98-R102 WeakPolarHBondContact O-CG 3.32Å; N98-R102 PolarHBondContact O-N 3.05Å; N98-R102 PolarHBondContact O-NH1 2.81Å |
| 99 | R | 98.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 100.4 Ų | 100.4 | 41% | 0.408 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.2 | -55.2 | 169.7 | -179 | -169.6 | 60 | -111.9 | -21.4 | 108.9 | H95 D96 L101 R102 D103 | H95-R99 PolarHBondContact O-N 2.86Å; D96-R99 WeakPolarHBondContact O-CA 3.43Å; D96-R99 WeakPolarHBondContact O-CB 3.39Å; D96-R99 PolarHBondContact O-N 3.16Å; D96-R99 IonicContact OD1-CZ 3.24Å; D96-R99 VanDerWaalsContact OD1-CZ 3.24Å; D96-R99 IonicContact OD1-NH1 3.76Å; D96-R99 PolarHBondContact OD1-NH1 3.31Å; D96-R99 IonicContact OD1-NH2 3.21Å; D96-R99 PolarHBondContact OD1-NH2 3.45Å; R99-L101 PolarHBondContact O-N 3.3Å; R99-L101 VanDerWaalsContact O-N 3.11Å; R99-R102 CarbonylContact O-C 3.58Å; R99-R102 WeakPolarHBondContact O-CA 3.4Å; R99-R102 WeakPolarHBondContact O-CB 3.35Å; R99-R102 PolarHBondContact O-N 2.87Å; R99-D103 VanDerWaalsContact O-CG 3.29Å; R99-D103 PolarHBondContact O-N 3.4Å; R99-D103 VanDerWaalsContact O-OD1 3.09Å |
| 100 | D | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 106.6 Ų | 106.6 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.6 | -33.3 | -177.5 | -56.5 | -0.3 | 0 | 0 | 0 | 112.2 | D96 R104 | D96-D100 VanDerWaalsContact O-CG 3.22Å; D96-D100 PolarHBondContact O-N 2.69Å; D96-D100 VanDerWaalsContact O-OD1 3.11Å; D100-R104 VanDerWaalsContact O-CB 3.23Å; D100-R104 WeakPolarHBondContact O-CB 3.23Å; D100-R104 PolarHBondContact O-N 3Å |
| 101 | L | 98.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 107.1 Ų | 107.1 | 45% | 0.445 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 170.1 | -80.2 | 180 | 0 | 0 | 0 | 114 | F97 R99 L105 | F97-L101 HydrophobicContact CD1-CD1 3.97Å; F97-L101 HydrophobicContact CE1-CD1 3.46Å; F97-L101 VanDerWaalsContact CE1-CD1 3.46Å; F97-L101 HydrophobicContact CE1-CG 4.22Å; F97-L101 HydrophobicContact CE2-CD1 4.43Å; F97-L101 HydrophobicContact CE2-CG 4.36Å; F97-L101 HydrophobicContact CZ-CD1 3.73Å; F97-L101 HydrophobicContact CZ-CD2 4.42Å; F97-L101 HydrophobicContact CZ-CG 4.12Å; F97-L101 WeakPolarHBondContact O-CB 3.31Å; F97-L101 WeakPolarHBondContact O-CG 3.41Å; F97-L101 PolarHBondContact O-N 2.94Å; R99-L101 PolarHBondContact O-N 3.3Å; R99-L101 VanDerWaalsContact O-N 3.11Å; L101-L105 WeakPolarHBondContact O-CB 3.31Å; L101-L105 PolarHBondContact O-N 3.01Å |
| 102 | R | 98.4 | Very high | 98.1 | Very high | 150 Ų | 150 | 106.8 Ų | 106.8 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.2 | -47.4 | 175.3 | -72.4 | 177.5 | -162.3 | 103.7 | -7.5 | 110.6 | N98 R99 R104 L105 E106 | N98-R102 VanDerWaalsContact O-CG 3.31Å; N98-R102 WeakPolarHBondContact O-CG 3.32Å; N98-R102 PolarHBondContact O-N 3.05Å; N98-R102 PolarHBondContact O-NH1 2.81Å; R99-R102 CarbonylContact O-C 3.58Å; R99-R102 WeakPolarHBondContact O-CA 3.4Å; R99-R102 WeakPolarHBondContact O-CB 3.35Å; R99-R102 PolarHBondContact O-N 2.87Å; R102-R104 PolarHBondContact O-N 2.77Å; R102-L105 CarbonylContact O-C 3.59Å; R102-L105 WeakPolarHBondContact O-CA 3.47Å; R102-L105 WeakPolarHBondContact O-CB 3.26Å; R102-L105 PolarHBondContact O-N 3.06Å; R102-E106 WeakPolarHBondContact O-CB 3.38Å; R102-E106 PolarHBondContact O-N 3.49Å |
| 103 | D | 98.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 102.2 Ų | 102.2 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 179.4 | -57.9 | 1.5 | 0 | 0 | 0 | 110.7 | R99 T107 | R99-D103 VanDerWaalsContact O-CG 3.29Å; R99-D103 PolarHBondContact O-N 3.4Å; R99-D103 VanDerWaalsContact O-OD1 3.09Å; D103-T107 VanDerWaalsContact O-CB 3.31Å; D103-T107 WeakPolarHBondContact O-CB 3.48Å; D103-T107 PolarHBondContact O-N 3.11Å; D103-T107 PolarHBondContact O-OG1 3.26Å |
| 104 | R | 98.4 | Very high | 97.7 | Very high | 196 Ų | 196 | 101.7 Ų | 101.7 | 74% | 0.74 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.2 | -36.3 | 174.4 | -171.4 | 172.7 | -176.2 | 171.2 | 1.8 | 113.2 | D100 R102 A108 | D100-R104 VanDerWaalsContact O-CB 3.23Å; D100-R104 WeakPolarHBondContact O-CB 3.23Å; D100-R104 PolarHBondContact O-N 3Å; R102-R104 PolarHBondContact O-N 2.77Å; R104-A108 WeakPolarHBondContact O-CB 3.33Å; R104-A108 PolarHBondContact O-N 3.41Å |
| 105 | L | 98.2 | Very high | 97.5 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 175.3 | -172.9 | 158.3 | 0 | 0 | 0 | 111 | L101 R102 A108 N109 | L101-L105 WeakPolarHBondContact O-CB 3.31Å; L101-L105 PolarHBondContact O-N 3.01Å; R102-L105 CarbonylContact O-C 3.59Å; R102-L105 WeakPolarHBondContact O-CA 3.47Å; R102-L105 WeakPolarHBondContact O-CB 3.26Å; R102-L105 PolarHBondContact O-N 3.06Å; L105-A108 PolarHBondContact O-N 3.42Å; L105-N109 WeakPolarHBondContact CD2-ND2 3.39Å; L105-N109 WeakPolarHBondContact O-CB 3.34Å; L105-N109 PolarHBondContact O-N 3.49Å |
| 106 | E | 97.9 | Very high | 97.2 | Very high | 137 Ų | 137 | 104.3 Ų | 104.3 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 174.5 | -174 | 173.7 | 170.9 | 0 | 0 | 111 | R102 A108 N109 K110 | R102-E106 WeakPolarHBondContact O-CB 3.38Å; R102-E106 PolarHBondContact O-N 3.49Å; E106-A108 VanDerWaalsContact C-N 3.35Å; E106-A108 PolarHBondContact O-N 2.93Å; E106-N109 PolarHBondContact O-N 3.48Å; E106-K110 WeakPolarHBondContact O-CB 3.06Å; E106-K110 PolarHBondContact O-N 2.85Å |
| 107 | T | 98 | Very high | 96.9 | Very high | 77 Ų | 77 | 107 Ų | 107 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 112 | D103 K110 Q111 | D103-T107 VanDerWaalsContact O-CB 3.31Å; D103-T107 WeakPolarHBondContact O-CB 3.48Å; D103-T107 PolarHBondContact O-N 3.11Å; D103-T107 PolarHBondContact O-OG1 3.26Å; T107-K110 PolarHBondContact O-N 3.36Å; T107-Q111 WeakPolarHBondContact O-CG 3.49Å; T107-Q111 PolarHBondContact O-N 2.79Å |
| 108 | A | 97.7 | Very high | 96.7 | Very high | 44 Ų | 44 | 105.9 Ų | 105.9 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R104 L105 E106 K110 Q111 L112 | R104-A108 WeakPolarHBondContact O-CB 3.33Å; R104-A108 PolarHBondContact O-N 3.41Å; L105-A108 PolarHBondContact O-N 3.42Å; E106-A108 VanDerWaalsContact C-N 3.35Å; E106-A108 PolarHBondContact O-N 2.93Å; A108-K110 VanDerWaalsContact C-N 3.34Å; A108-K110 PolarHBondContact O-N 2.84Å; A108-Q111 PolarHBondContact O-N 3.03Å; A108-L112 WeakPolarHBondContact O-CG 3.5Å; A108-L112 PolarHBondContact O-N 2.74Å |
| 109 | N | 97.2 | Very high | 96.4 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 175.5 | -78.5 | 1.1 | 0 | 0 | 0 | 111.8 | L105 E106 Q111 L112 A113 | L105-N109 WeakPolarHBondContact CD2-ND2 3.39Å; L105-N109 WeakPolarHBondContact O-CB 3.34Å; L105-N109 PolarHBondContact O-N 3.49Å; E106-N109 PolarHBondContact O-N 3.48Å; N109-Q111 PolarHBondContact O-N 3.02Å; N109-L112 PolarHBondContact O-N 3.11Å; N109-L112 VanDerWaalsContact O-N 3.17Å; N109-A113 PolarHBondContact O-N 2.84Å |
| 110 | K | 97.4 | Very high | 96 | Very high | 148 Ų | 148 | 102.2 Ų | 102.2 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.4 | -44.9 | 174.7 | -172.9 | 177.5 | 179.1 | -179.7 | 0 | 111.4 | E106 T107 A108 L112 A113 E114 | E106-K110 WeakPolarHBondContact O-CB 3.06Å; E106-K110 PolarHBondContact O-N 2.85Å; T107-K110 PolarHBondContact O-N 3.36Å; A108-K110 VanDerWaalsContact C-N 3.34Å; A108-K110 PolarHBondContact O-N 2.84Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 3.45Å; K110-A113 PolarHBondContact O-N 3.21Å; K110-E114 VanDerWaalsContact O-CB 3.26Å; K110-E114 WeakPolarHBondContact O-CB 3.38Å; K110-E114 PolarHBondContact O-N 2.97Å |
| 111 | Q | 96.9 | Very high | 95.8 | Very high | 94 Ų | 94 | 100.4 Ų | 100.4 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -27.2 | 175.2 | -71.9 | 179.1 | 19.5 | 0 | 0 | 113.7 | T107 A108 N109 K115 | T107-Q111 WeakPolarHBondContact O-CG 3.49Å; T107-Q111 PolarHBondContact O-N 2.79Å; A108-Q111 PolarHBondContact O-N 3.03Å; N109-Q111 PolarHBondContact O-N 3.02Å; Q111-K115 WeakPolarHBondContact O-CB 3.4Å; Q111-K115 VanDerWaalsContact O-CD 3.24Å; Q111-K115 WeakPolarHBondContact O-CD 3.41Å; Q111-K115 WeakPolarHBondContact O-CG 3.47Å; Q111-K115 PolarHBondContact O-N 2.74Å |
| 112 | L | 95.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 100.1 Ų | 100.1 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.1 | -51 | 172.9 | -72.2 | 170.4 | 0 | 0 | 0 | 110.4 | A108 N109 K110 E114 K115 E116 | A108-L112 WeakPolarHBondContact O-CG 3.5Å; A108-L112 PolarHBondContact O-N 2.74Å; N109-L112 PolarHBondContact O-N 3.11Å; N109-L112 VanDerWaalsContact O-N 3.17Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 3.45Å; L112-E114 VanDerWaalsContact C-N 3.27Å; L112-E114 PolarHBondContact O-N 3.13Å; L112-K115 PolarHBondContact O-N 3.12Å; L112-K115 VanDerWaalsContact O-N 3.1Å; L112-E116 WeakPolarHBondContact O-CG 3.34Å; L112-E116 PolarHBondContact O-N 3Å |
| 113 | A | 95 | Very high | 95.5 | Very high | 54 Ų | 54 | 96.9 Ų | 96.9 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N109 K110 Y117 | N109-A113 PolarHBondContact O-N 2.84Å; K110-A113 PolarHBondContact O-N 3.21Å; A113-Y117 WeakPolarHBondContact O-CB 3.24Å; A113-Y117 PolarHBondContact O-N 2.89Å |
| 114 | E | 94.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 99.5 Ų | 99.5 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.5 | -39.7 | 175.5 | -170.8 | 166 | -134 | 0 | 0 | 112.1 | K110 L112 Y117 E118 | K110-E114 VanDerWaalsContact O-CB 3.26Å; K110-E114 WeakPolarHBondContact O-CB 3.38Å; K110-E114 PolarHBondContact O-N 2.97Å; L112-E114 VanDerWaalsContact C-N 3.27Å; L112-E114 PolarHBondContact O-N 3.13Å; E114-Y117 PolarHBondContact O-N 3.15Å; E114-E118 PolarHBondContact O-N 2.85Å |
| 115 | K | 93.9 | Very high | 95.4 | Very high | 135 Ų | 135 | 94.3 Ų | 94.3 | 59% | 0.587 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.7 | -37.2 | 173.8 | -72.3 | 165.1 | -168.6 | 163.4 | 0 | 112.8 | Q111 L112 G119 | Q111-K115 WeakPolarHBondContact O-CB 3.4Å; Q111-K115 VanDerWaalsContact O-CD 3.24Å; Q111-K115 WeakPolarHBondContact O-CD 3.41Å; Q111-K115 WeakPolarHBondContact O-CG 3.47Å; Q111-K115 PolarHBondContact O-N 2.74Å; L112-K115 PolarHBondContact O-N 3.12Å; L112-K115 VanDerWaalsContact O-N 3.1Å; K115-G119 PolarHBondContact O-N 3.24Å |
| 116 | E | 91.7 | Very high | 95.3 | Very high | 140 Ų | 140 | 92.8 Ų | 92.8 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 173.2 | -73.8 | 172.7 | -178.3 | 0 | 0 | 110.8 | L112 S120 | L112-E116 WeakPolarHBondContact O-CG 3.34Å; L112-E116 PolarHBondContact O-N 3Å; E116-S120 VanDerWaalsContact O-CB 3.26Å; E116-S120 WeakPolarHBondContact O-CB 3.49Å; E116-S120 PolarHBondContact O-N 3.29Å; E116-S120 PolarHBondContact O-OG 2.96Å |
| 117 | Y | 93.7 | Very high | 95.3 | Very high | 122 Ų | 122 | 90.2 Ų | 90.2 | 48% | 0.478 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.9 | -54.8 | 174.3 | -177.7 | -87.3 | 0 | 0 | 0 | 111.4 | A113 E114 G119 S120 E121 R124 | A113-Y117 WeakPolarHBondContact O-CB 3.24Å; A113-Y117 PolarHBondContact O-N 2.89Å; E114-Y117 PolarHBondContact O-N 3.15Å; Y117-G119 PolarHBondContact O-N 3.43Å; Y117-S120 PolarHBondContact O-N 3.47Å; Y117-S120 VanDerWaalsContact O-N 3.15Å; Y117-S120 PolarHBondContact O-OG 3.45Å; Y117-E121 HydrophobicContact CE1-CB 4.38Å; Y117-E121 PolarHBondContact O-N 2.88Å; Y117-E121 PolarHBondContact OH-OE2 2.92Å; Y117-R124 PolarHBondContact OH-NH2 2.84Å; Y117-R124 VanDerWaalsContact OH-NH2 3.11Å |
| 118 | E | 93.5 | Very high | 95.3 | Very high | 93 Ų | 93 | 89.9 Ų | 89.9 | 44% | 0.435 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | -178.1 | -166.2 | 63.1 | -139.1 | 0 | 0 | 111.6 | E114 S120 E121 D122 K125 | E114-E118 PolarHBondContact O-N 2.85Å; E118-S120 VanDerWaalsContact C-N 3.32Å; E118-S120 PolarHBondContact O-N 2.93Å; E118-E121 CarbonylContact O-C 3.6Å; E118-E121 PolarHBondContact O-N 2.71Å; E118-D122 PolarHBondContact O-N 3.47Å; E118-K125 IonicContact OE1-NZ 3.47Å; E118-K125 PolarHBondContact OE1-NZ 2.73Å; E118-K125 VanDerWaalsContact OE1-NZ 3.12Å |
| 119 | G | 91.2 | Very high | 95.3 | Very high | 35 Ų | 35 | 94.5 Ų | 94.5 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K115 Y117 E121 T123 | K115-G119 PolarHBondContact O-N 3.24Å; Y117-G119 PolarHBondContact O-N 3.43Å; G119-E121 VanDerWaalsContact C-N 3.34Å; G119-T123 WeakPolarHBondContact O-CB 3.18Å; G119-T123 PolarHBondContact O-N 3.44Å; G119-T123 PolarHBondContact O-OG1 3.1Å |
| 120 | S | 91.2 | Very high | 95.4 | Very high | 63 Ų | 63 | 95.4 Ų | 95.4 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.7 | -34.6 | 172.1 | 82.7 | 0 | 0 | 0 | 0 | 111.9 | E116 Y117 E118 R124 | E116-S120 VanDerWaalsContact O-CB 3.26Å; E116-S120 WeakPolarHBondContact O-CB 3.49Å; E116-S120 PolarHBondContact O-N 3.29Å; E116-S120 PolarHBondContact O-OG 2.96Å; Y117-S120 PolarHBondContact O-N 3.47Å; Y117-S120 VanDerWaalsContact O-N 3.15Å; Y117-S120 PolarHBondContact O-OG 3.45Å; E118-S120 VanDerWaalsContact C-N 3.32Å; E118-S120 PolarHBondContact O-N 2.93Å; S120-R124 WeakPolarHBondContact O-CB 3.3Å; S120-R124 PolarHBondContact O-N 3.17Å |
| 121 | E | 95.4 | Very high | 95.4 | Very high | 47 Ų | 47 | 95.3 Ų | 95.3 | 22% | 0.22 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -72.9 | -42.6 | 178.1 | -172 | 170.9 | 121.2 | 0 | 0 | 111.7 | Y117 E118 G119 T123 R124 K125 | Y117-E121 HydrophobicContact CE1-CB 4.38Å; Y117-E121 PolarHBondContact O-N 2.88Å; Y117-E121 PolarHBondContact OH-OE2 2.92Å; E118-E121 CarbonylContact O-C 3.6Å; E118-E121 PolarHBondContact O-N 2.71Å; G119-E121 VanDerWaalsContact C-N 3.34Å; E121-T123 VanDerWaalsContact C-N 3.29Å; E121-T123 PolarHBondContact O-N 3.03Å; E121-R124 CarbonylContact O-C 3.59Å; E121-R124 WeakPolarHBondContact O-CA 3.35Å; E121-R124 WeakPolarHBondContact O-CB 3.47Å; E121-R124 PolarHBondContact O-N 3.22Å; E121-R124 VanDerWaalsContact O-N 3.09Å; E121-R124 IonicContact OE2-CZ 3.82Å; E121-R124 IonicContact OE2-NH2 3.4Å; E121-R124 PolarHBondContact OE2-NH2 3.09Å; E121-K125 HydrophobicContact CG-CD 4.37Å; E121-K125 HydrophobicContact CG-CG 4.41Å; E121-K125 VanDerWaalsContact O-CG 3.3Å; E121-K125 WeakPolarHBondContact O-CG 3.26Å; E121-K125 PolarHBondContact O-N 2.9Å; E121-K125 WeakPolarHBondContact OE1-CE 3.29Å; E121-K125 IonicContact OE1-NZ 2.74Å; E121-K125 PolarHBondContact OE1-NZ 2.94Å; E121-K125 VanDerWaalsContact OE1-NZ 3.13Å |
| 122 | D | 95.4 | Very high | 95.5 | Very high | 79 Ų | 79 | 93.8 Ų | 93.8 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 173.1 | -81.3 | -2.7 | 0 | 0 | 0 | 112.2 | E118 K125 T126 | E118-D122 PolarHBondContact O-N 3.47Å; D122-K125 PolarHBondContact O-N 3.06Å; D122-K125 WeakPolarHBondContact OD1-CD 3.34Å; D122-K125 IonicContact OD1-NZ 3.27Å; D122-K125 PolarHBondContact OD1-NZ 2.73Å; D122-T126 VanDerWaalsContact O-CB 3.29Å; D122-T126 WeakPolarHBondContact O-CB 3.33Å; D122-T126 PolarHBondContact O-N 2.73Å; D122-T126 PolarHBondContact O-OG1 2.76Å |
| 123 | T | 94.4 | Very high | 95.6 | Very high | 82 Ų | 82 | 95.2 Ų | 95.2 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 169.6 | -59 | 0 | 0 | 0 | 0 | 110.9 | G119 E121 T126 I127 | G119-T123 WeakPolarHBondContact O-CB 3.18Å; G119-T123 PolarHBondContact O-N 3.44Å; G119-T123 PolarHBondContact O-OG1 3.1Å; E121-T123 VanDerWaalsContact C-N 3.29Å; E121-T123 PolarHBondContact O-N 3.03Å; T123-T126 PolarHBondContact O-N 3.31Å; T123-I127 HydrophobicContact CG2-CD1 3.84Å; T123-I127 WeakPolarHBondContact O-CB 3.47Å; T123-I127 VanDerWaalsContact O-CG1 3.25Å; T123-I127 WeakPolarHBondContact O-CG1 3.4Å; T123-I127 PolarHBondContact O-N 2.95Å |
| 124 | R | 96.5 | Very high | 95.7 | Very high | 129 Ų | 129 | 98.7 Ų | 98.7 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 175.7 | 173 | 173.7 | 66.9 | -172.4 | -0.4 | 112.3 | Y117 S120 E121 I127 S128 | Y117-R124 PolarHBondContact OH-NH2 2.84Å; Y117-R124 VanDerWaalsContact OH-NH2 3.11Å; S120-R124 WeakPolarHBondContact O-CB 3.3Å; S120-R124 PolarHBondContact O-N 3.17Å; E121-R124 CarbonylContact O-C 3.59Å; E121-R124 WeakPolarHBondContact O-CA 3.35Å; E121-R124 WeakPolarHBondContact O-CB 3.47Å; E121-R124 PolarHBondContact O-N 3.22Å; E121-R124 VanDerWaalsContact O-N 3.09Å; E121-R124 IonicContact OE2-CZ 3.82Å; E121-R124 IonicContact OE2-NH2 3.4Å; E121-R124 PolarHBondContact OE2-NH2 3.09Å; R124-I127 PolarHBondContact O-N 3.31Å; R124-S128 WeakPolarHBondContact O-CB 3.42Å; R124-S128 PolarHBondContact O-N 2.93Å; R124-S128 PolarHBondContact O-OG 3.4Å |
| 125 | K | 97.3 | Very high | 95.9 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 174 | -69.2 | 166.3 | -168.5 | 139.7 | 0 | 110.2 | E118 E121 D122 S128 Q129 | E118-K125 IonicContact OE1-NZ 3.47Å; E118-K125 PolarHBondContact OE1-NZ 2.73Å; E118-K125 VanDerWaalsContact OE1-NZ 3.12Å; E121-K125 HydrophobicContact CG-CD 4.37Å; E121-K125 HydrophobicContact CG-CG 4.41Å; E121-K125 VanDerWaalsContact O-CG 3.3Å; E121-K125 WeakPolarHBondContact O-CG 3.26Å; E121-K125 PolarHBondContact O-N 2.9Å; E121-K125 WeakPolarHBondContact OE1-CE 3.29Å; E121-K125 IonicContact OE1-NZ 2.74Å; E121-K125 PolarHBondContact OE1-NZ 2.94Å; E121-K125 VanDerWaalsContact OE1-NZ 3.13Å; D122-K125 PolarHBondContact O-N 3.06Å; D122-K125 WeakPolarHBondContact OD1-CD 3.34Å; D122-K125 IonicContact OD1-NZ 3.27Å; D122-K125 PolarHBondContact OD1-NZ 2.73Å; K125-S128 WeakPolarHBondContact O-CB 3.45Å; K125-S128 PolarHBondContact O-N 3.39Å; K125-Q129 PolarHBondContact O-N 2.91Å |
| 126 | T | 97.6 | Very high | 96.1 | Very high | 71 Ų | 71 | 98.6 Ų | 98.6 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | D122 T123 S128 Q129 L130 | D122-T126 VanDerWaalsContact O-CB 3.29Å; D122-T126 WeakPolarHBondContact O-CB 3.33Å; D122-T126 PolarHBondContact O-N 2.73Å; D122-T126 PolarHBondContact O-OG1 2.76Å; T123-T126 PolarHBondContact O-N 3.31Å; T126-S128 VanDerWaalsContact C-N 3.3Å; T126-S128 PolarHBondContact O-N 3.27Å; T126-Q129 PolarHBondContact O-N 2.97Å; T126-L130 HydrophobicContact CG2-CD1 4.25Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3.47Å |
| 127 | I | 97.6 | Very high | 96.3 | Very high | 83 Ų | 83 | 95.8 Ų | 95.8 | 43% | 0.426 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.8 | -72.8 | 167.9 | 0 | 0 | 0 | 110.7 | T123 R124 L130 F131 | T123-I127 HydrophobicContact CG2-CD1 3.84Å; T123-I127 WeakPolarHBondContact O-CB 3.47Å; T123-I127 VanDerWaalsContact O-CG1 3.25Å; T123-I127 WeakPolarHBondContact O-CG1 3.4Å; T123-I127 PolarHBondContact O-N 2.95Å; R124-I127 PolarHBondContact O-N 3.31Å; I127-L130 PolarHBondContact O-N 2.9Å; I127-F131 HydrophobicContact CG2-CD2 3.68Å; I127-F131 HydrophobicContact CG2-CE2 3.57Å; I127-F131 VanDerWaalsContact O-CD2 3.26Å; I127-F131 WeakPolarHBondContact O-CD2 3.25Å; I127-F131 PolarHBondContact O-N 2.92Å |
| 128 | S | 98.1 | Very high | 96.5 | Very high | 70 Ų | 70 | 93.2 Ų | 93.2 | 49% | 0.49 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 112 | R124 K125 T126 F131 A132 | R124-S128 WeakPolarHBondContact O-CB 3.42Å; R124-S128 PolarHBondContact O-N 2.93Å; R124-S128 PolarHBondContact O-OG 3.4Å; K125-S128 WeakPolarHBondContact O-CB 3.45Å; K125-S128 PolarHBondContact O-N 3.39Å; T126-S128 VanDerWaalsContact C-N 3.3Å; T126-S128 PolarHBondContact O-N 3.27Å; S128-F131 PolarHBondContact O-N 3.41Å; S128-A132 WeakPolarHBondContact O-CB 3.36Å; S128-A132 PolarHBondContact O-N 2.89Å |
| 129 | Q | 98 | Very high | 96.7 | Very high | 142 Ų | 142 | 95.3 Ų | 95.3 | 66% | 0.664 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 174.1 | -168 | -176.2 | 33 | 0 | 0 | 112 | K125 T126 A132 K133 | K125-Q129 PolarHBondContact O-N 2.91Å; T126-Q129 PolarHBondContact O-N 2.97Å; Q129-A132 PolarHBondContact O-N 3.4Å; Q129-K133 WeakPolarHBondContact O-CB 3.38Å; Q129-K133 PolarHBondContact O-N 2.93Å |
| 130 | L | 98 | Very high | 97 | Very high | 109 Ų | 109 | 99.3 Ų | 99.3 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 175.3 | -71.9 | 171.7 | 0 | 0 | 0 | 111.9 | T126 I127 K133 H134 | T126-L130 HydrophobicContact CG2-CD1 4.25Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3.47Å; I127-L130 PolarHBondContact O-N 2.9Å; L130-K133 PolarHBondContact O-N 2.82Å; L130-H134 VanDerWaalsContact O-CB 3.28Å; L130-H134 WeakPolarHBondContact O-CB 3.43Å; L130-H134 PolarHBondContact O-N 3.01Å |
| 131 | F | 98 | Very high | 97.4 | Very high | 147 Ų | 147 | 101.1 Ų | 101.1 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.3 | -40 | 172.8 | -84.5 | -62.6 | 0 | 0 | 0 | 112.7 | I127 S128 H134 K135 | I127-F131 HydrophobicContact CG2-CD2 3.68Å; I127-F131 HydrophobicContact CG2-CE2 3.57Å; I127-F131 VanDerWaalsContact O-CD2 3.26Å; I127-F131 WeakPolarHBondContact O-CD2 3.25Å; I127-F131 PolarHBondContact O-N 2.92Å; S128-F131 PolarHBondContact O-N 3.41Å; F131-H134 PolarHBondContact O-N 2.95Å; F131-K135 WeakPolarHBondContact O-CB 3.47Å; F131-K135 PolarHBondContact O-N 2.92Å |
| 132 | A | 98.2 | Very high | 97.5 | Very high | 61 Ų | 61 | 103.6 Ų | 103.6 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -50 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S128 Q129 H134 K135 E136 | S128-A132 WeakPolarHBondContact O-CB 3.36Å; S128-A132 PolarHBondContact O-N 2.89Å; Q129-A132 PolarHBondContact O-N 3.4Å; A132-H134 PolarHBondContact O-N 3.15Å; A132-K135 CarbonylContact O-C 3.58Å; A132-K135 PolarHBondContact O-N 3.48Å; A132-K135 VanDerWaalsContact O-N 3.17Å; A132-E136 PolarHBondContact O-N 3.17Å |
| 133 | K | 98.1 | Very high | 97.6 | Very high | 124 Ų | 124 | 105.6 Ų | 105.6 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 177.3 | -173 | 169.7 | -175.4 | 170.8 | 0 | 112.9 | Q129 L130 K135 E136 N137 | Q129-K133 WeakPolarHBondContact O-CB 3.38Å; Q129-K133 PolarHBondContact O-N 2.93Å; L130-K133 PolarHBondContact O-N 2.82Å; K133-K135 VanDerWaalsContact C-N 3.33Å; K133-K135 PolarHBondContact O-N 3.25Å; K133-E136 WeakPolarHBondContact O-CB 3.28Å; K133-E136 PolarHBondContact O-N 3.48Å; K133-N137 WeakPolarHBondContact O-CB 3.26Å; K133-N137 VanDerWaalsContact O-CG 3.29Å; K133-N137 PolarHBondContact O-N 3.5Å; K133-N137 PolarHBondContact O-OD1 2.91Å |
| 134 | H | 97.7 | Very high | 97.8 | Very high | 128 Ų | 128 | 106.1 Ų | 106.1 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 173 | -176.5 | -74.6 | 0 | 0 | 0 | 111.4 | L130 F131 A132 E136 Q138 | L130-H134 VanDerWaalsContact O-CB 3.28Å; L130-H134 WeakPolarHBondContact O-CB 3.43Å; L130-H134 PolarHBondContact O-N 3.01Å; F131-H134 PolarHBondContact O-N 2.95Å; A132-H134 PolarHBondContact O-N 3.15Å; H134-E136 VanDerWaalsContact C-N 3.3Å; H134-E136 PolarHBondContact O-N 2.96Å; H134-Q138 VanDerWaalsContact O-CB 3.25Å; H134-Q138 WeakPolarHBondContact O-CB 3.48Å; H134-Q138 PolarHBondContact O-N 3.26Å |
| 135 | K | 98.5 | Very high | 97.9 | Very high | 133 Ų | 133 | 104.8 Ų | 104.8 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.2 | -24 | 177.1 | -161.8 | 179.1 | -178.2 | 175.3 | 0 | 112.7 | F131 A132 K133 R139 | F131-K135 WeakPolarHBondContact O-CB 3.47Å; F131-K135 PolarHBondContact O-N 2.92Å; A132-K135 CarbonylContact O-C 3.58Å; A132-K135 PolarHBondContact O-N 3.48Å; A132-K135 VanDerWaalsContact O-N 3.17Å; K133-K135 VanDerWaalsContact C-N 3.33Å; K133-K135 PolarHBondContact O-N 3.25Å; K135-R139 WeakPolarHBondContact O-CG 3.4Å; K135-R139 PolarHBondContact O-NH1 2.75Å |
| 136 | E | 97.5 | Very high | 98 | Very high | 124 Ų | 124 | 103.2 Ų | 103.2 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.8 | -58.3 | 170.5 | -176.2 | 169.3 | -138.2 | 0 | 0 | 110.8 | A132 K133 H134 Q138 R139 E140 | A132-E136 PolarHBondContact O-N 3.17Å; K133-E136 WeakPolarHBondContact O-CB 3.28Å; K133-E136 PolarHBondContact O-N 3.48Å; H134-E136 VanDerWaalsContact C-N 3.3Å; H134-E136 PolarHBondContact O-N 2.96Å; E136-Q138 PolarHBondContact O-N 3.49Å; E136-Q138 VanDerWaalsContact O-N 3.15Å; E136-R139 PolarHBondContact O-N 3.45Å; E136-E140 PolarHBondContact O-N 2.85Å |
| 137 | N | 95.9 | Very high | 98 | Very high | 82 Ų | 82 | 104 Ų | 104 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -52 | -38.4 | 175.5 | -68.9 | 9 | 0 | 0 | 0 | 112.7 | K133 E140 K141 | K133-N137 WeakPolarHBondContact O-CB 3.26Å; K133-N137 VanDerWaalsContact O-CG 3.29Å; K133-N137 PolarHBondContact O-N 3.5Å; K133-N137 PolarHBondContact O-OD1 2.91Å; N137-E140 PolarHBondContact O-N 2.93Å; N137-K141 WeakPolarHBondContact O-CB 3.33Å; N137-K141 PolarHBondContact O-N 3.3Å |
| 138 | Q | 98.3 | Very high | 98 | Very high | 68 Ų | 68 | 104 Ų | 104 | 32% | 0.318 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 178.2 | 177.6 | 56 | 33.2 | 0 | 0 | 112.4 | H134 E136 K141 E142 | H134-Q138 VanDerWaalsContact O-CB 3.25Å; H134-Q138 WeakPolarHBondContact O-CB 3.48Å; H134-Q138 PolarHBondContact O-N 3.26Å; E136-Q138 PolarHBondContact O-N 3.49Å; E136-Q138 VanDerWaalsContact O-N 3.15Å; Q138-K141 PolarHBondContact O-N 2.91Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.35Å; Q138-E142 PolarHBondContact NE2-OE1 3.49Å; Q138-E142 VanDerWaalsContact O-CG 3.25Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.38Å |
| 139 | R | 98.3 | Very high | 98 | Very high | 137 Ų | 137 | 103.2 Ų | 103.2 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.5 | -36 | 173.8 | -69.8 | -175 | -160.3 | 100.1 | -27.9 | 112.3 | K135 E136 K141 E142 K143 | K135-R139 WeakPolarHBondContact O-CG 3.4Å; K135-R139 PolarHBondContact O-NH1 2.75Å; E136-R139 PolarHBondContact O-N 3.45Å; R139-K141 VanDerWaalsContact C-N 3.33Å; R139-E142 PolarHBondContact O-N 2.94Å; R139-K143 WeakPolarHBondContact O-CB 3.4Å; R139-K143 PolarHBondContact O-N 2.9Å |
| 140 | E | 98 | Very high | 98.1 | Very high | 119 Ų | 119 | 100.8 Ų | 100.8 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 172.8 | -176.3 | 177.5 | -154.2 | 0 | 0 | 110.4 | E136 N137 K143 L144 | E136-E140 PolarHBondContact O-N 2.85Å; N137-E140 PolarHBondContact O-N 2.93Å; E140-K143 PolarHBondContact O-N 3.4Å; E140-L144 HydrophobicContact CG-CD1 4.17Å; E140-L144 WeakPolarHBondContact O-CG 3.47Å; E140-L144 PolarHBondContact O-N 3.21Å |
| 141 | K | 98.1 | Very high | 98.1 | Very high | 101 Ų | 101 | 98.1 Ų | 98.1 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.7 | -51.2 | 172 | -177.5 | -167.3 | 161.9 | -169.7 | 0 | 111.8 | N137 Q138 R139 K143 L144 E145 | N137-K141 WeakPolarHBondContact O-CB 3.33Å; N137-K141 PolarHBondContact O-N 3.3Å; Q138-K141 PolarHBondContact O-N 2.91Å; R139-K141 VanDerWaalsContact C-N 3.33Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 2.95Å; K141-L144 PolarHBondContact O-N 3.35Å; K141-E145 WeakPolarHBondContact CE-OE1 3.25Å; K141-E145 WeakPolarHBondContact CE-OE2 3.47Å; K141-E145 HydrophobicContact CG-CG 4.39Å; K141-E145 IonicContact NZ-OE1 3.24Å; K141-E145 PolarHBondContact NZ-OE1 3.33Å; K141-E145 IonicContact NZ-OE2 3.21Å; K141-E145 WeakPolarHBondContact O-CB 3.47Å; K141-E145 WeakPolarHBondContact O-CG 3.43Å; K141-E145 PolarHBondContact O-N 3.2Å |
| 142 | E | 98.2 | Very high | 98.1 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.1 | -40 | 178.7 | -74.9 | 158.9 | -172.1 | 0 | 0 | 112.1 | Q138 R139 E145 A146 | Q138-E142 WeakPolarHBondContact CG-OE1 3.35Å; Q138-E142 PolarHBondContact NE2-OE1 3.49Å; Q138-E142 VanDerWaalsContact O-CG 3.25Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.38Å; R139-E142 PolarHBondContact O-N 2.94Å; E142-E145 PolarHBondContact O-N 3.02Å; E142-A146 WeakPolarHBondContact O-CB 3.33Å; E142-A146 PolarHBondContact O-N 3.19Å |
| 143 | K | 98.4 | Very high | 98.1 | Very high | 122 Ų | 122 | 99.1 Ų | 99.1 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 174.5 | 178.5 | 177.9 | 175.3 | -65.7 | 0 | 111.9 | R139 E140 K141 A146 E147 | R139-K143 WeakPolarHBondContact O-CB 3.4Å; R139-K143 PolarHBondContact O-N 2.9Å; E140-K143 PolarHBondContact O-N 3.4Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 2.95Å; K143-A146 PolarHBondContact O-N 2.62Å; K143-E147 WeakPolarHBondContact CE-OE1 3.34Å; K143-E147 IonicContact NZ-OE1 2.79Å; K143-E147 PolarHBondContact NZ-OE1 2.81Å; K143-E147 IonicContact NZ-OE2 2.73Å; K143-E147 WeakPolarHBondContact O-CG 3.25Å; K143-E147 PolarHBondContact O-N 2.91Å |
| 144 | L | 98.3 | Very high | 98.1 | Very high | 93 Ų | 93 | 97 Ų | 97 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 177 | -70.3 | 171.5 | 0 | 0 | 0 | 112 | E140 K141 E147 L148 | E140-L144 HydrophobicContact CG-CD1 4.17Å; E140-L144 WeakPolarHBondContact O-CG 3.47Å; E140-L144 PolarHBondContact O-N 3.21Å; K141-L144 PolarHBondContact O-N 3.35Å; L144-E147 PolarHBondContact O-N 2.97Å; L144-L148 WeakPolarHBondContact O-CB 3.49Å; L144-L148 PolarHBondContact O-N 3.18Å |
| 145 | E | 98.1 | Very high | 98.2 | Very high | 101 Ų | 101 | 94.2 Ų | 94.2 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 174.1 | -75.6 | 178.9 | 153.2 | 0 | 0 | 111.7 | K141 E142 A149 | K141-E145 WeakPolarHBondContact CE-OE1 3.25Å; K141-E145 WeakPolarHBondContact CE-OE2 3.47Å; K141-E145 HydrophobicContact CG-CG 4.39Å; K141-E145 IonicContact NZ-OE1 3.24Å; K141-E145 PolarHBondContact NZ-OE1 3.33Å; K141-E145 IonicContact NZ-OE2 3.21Å; K141-E145 WeakPolarHBondContact O-CB 3.47Å; K141-E145 WeakPolarHBondContact O-CG 3.43Å; K141-E145 PolarHBondContact O-N 3.2Å; E142-E145 PolarHBondContact O-N 3.02Å; E145-A149 WeakPolarHBondContact O-CB 3.41Å; E145-A149 PolarHBondContact O-N 3.41Å |
| 146 | A | 98.3 | Very high | 98.1 | Very high | 55 Ų | 55 | 91.2 Ų | 91.2 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E142 K143 L148 A149 T150 | E142-A146 WeakPolarHBondContact O-CB 3.33Å; E142-A146 PolarHBondContact O-N 3.19Å; K143-A146 PolarHBondContact O-N 2.62Å; A146-L148 VanDerWaalsContact C-N 3.34Å; A146-L148 PolarHBondContact O-N 3.49Å; A146-A149 WeakPolarHBondContact O-CB 2.84Å; A146-A149 PolarHBondContact O-N 3Å; A146-T150 PolarHBondContact O-N 3.01Å |
| 147 | E | 98.3 | Very high | 98.2 | Very high | 87 Ų | 87 | 88.1 Ų | 88.1 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 174.8 | -74.7 | 169.8 | -169.1 | 0 | 0 | 112.1 | K143 L144 T150 A151 | K143-E147 WeakPolarHBondContact CE-OE1 3.34Å; K143-E147 IonicContact NZ-OE1 2.79Å; K143-E147 PolarHBondContact NZ-OE1 2.81Å; K143-E147 IonicContact NZ-OE2 2.73Å; K143-E147 WeakPolarHBondContact O-CG 3.25Å; K143-E147 PolarHBondContact O-N 2.91Å; L144-E147 PolarHBondContact O-N 2.97Å; E147-T150 PolarHBondContact O-OG1 3.1Å; E147-A151 WeakPolarHBondContact O-CB 3.35Å; E147-A151 PolarHBondContact O-N 3.48Å |
| 148 | L | 98.2 | Very high | 98.3 | Very high | 82 Ų | 82 | 89.5 Ų | 89.5 | 43% | 0.429 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 173.4 | -145.5 | -174.1 | 0 | 0 | 0 | 111.1 | L144 A146 R152 | L144-L148 WeakPolarHBondContact O-CB 3.49Å; L144-L148 PolarHBondContact O-N 3.18Å; A146-L148 VanDerWaalsContact C-N 3.34Å; A146-L148 PolarHBondContact O-N 3.49Å; L148-R152 HydrophobicContact CD2-CG 3.87Å; L148-R152 VanDerWaalsContact CD2-CZ 3.43Å; L148-R152 WeakPolarHBondContact O-CB 3.33Å; L148-R152 WeakPolarHBondContact O-CG 3.43Å; L148-R152 PolarHBondContact O-N 3.43Å |
| 149 | A | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 93.2 Ų | 93.2 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E145 A146 R152 S153 | E145-A149 WeakPolarHBondContact O-CB 3.41Å; E145-A149 PolarHBondContact O-N 3.41Å; A146-A149 WeakPolarHBondContact O-CB 2.84Å; A146-A149 PolarHBondContact O-N 3Å; A149-R152 PolarHBondContact O-N 2.89Å; A149-S153 PolarHBondContact O-N 3.01Å |
| 150 | T | 98.5 | Very high | 98.4 | Very high | 91 Ų | 91 | 92 Ų | 92 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.8 | -41 | 175.5 | 58 | 0 | 0 | 0 | 0 | 111.8 | A146 E147 R152 S153 T154 | A146-T150 PolarHBondContact O-N 3.01Å; E147-T150 PolarHBondContact O-OG1 3.1Å; T150-R152 VanDerWaalsContact C-N 3.33Å; T150-R152 PolarHBondContact O-N 3.05Å; T150-S153 PolarHBondContact O-N 3.17Å; T150-T154 PolarHBondContact O-N 3.42Å; T150-T154 PolarHBondContact O-OG1 3.04Å |
| 151 | A | 98.3 | Very high | 98.4 | Very high | 53 Ų | 53 | 91.4 Ų | 91.4 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E147 T154 N155 | E147-A151 WeakPolarHBondContact O-CB 3.35Å; E147-A151 PolarHBondContact O-N 3.48Å; A151-T154 PolarHBondContact O-OG1 3.36Å; A151-N155 PolarHBondContact O-N 3.24Å; A151-N155 VanDerWaalsContact O-N 3.15Å |
| 152 | R | 98.3 | Very high | 98.4 | Very high | 167 Ų | 167 | 91 Ų | 91 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 171.5 | -79.4 | 173.8 | 177.6 | 142.6 | 2.1 | 111.8 | L148 A149 T150 N155 E156 | L148-R152 HydrophobicContact CD2-CG 3.87Å; L148-R152 VanDerWaalsContact CD2-CZ 3.43Å; L148-R152 WeakPolarHBondContact O-CB 3.33Å; L148-R152 WeakPolarHBondContact O-CG 3.43Å; L148-R152 PolarHBondContact O-N 3.43Å; A149-R152 PolarHBondContact O-N 2.89Å; T150-R152 VanDerWaalsContact C-N 3.33Å; T150-R152 PolarHBondContact O-N 3.05Å; R152-N155 PolarHBondContact O-N 2.87Å; R152-E156 WeakPolarHBondContact O-CB 3.34Å; R152-E156 PolarHBondContact O-N 3.39Å |
| 153 | S | 98.5 | Very high | 98.4 | Very high | 62 Ų | 62 | 92.7 Ų | 92.7 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 177.3 | -164.4 | 0 | 0 | 0 | 0 | 111.3 | A149 T150 N155 E156 D157 | A149-S153 PolarHBondContact O-N 3.01Å; T150-S153 PolarHBondContact O-N 3.17Å; S153-N155 VanDerWaalsContact C-N 3.32Å; S153-N155 PolarHBondContact O-N 3.06Å; S153-E156 PolarHBondContact O-N 3.42Å; S153-E156 VanDerWaalsContact O-N 3.13Å; S153-D157 PolarHBondContact O-N 2.89Å; S153-D157 VanDerWaalsContact O-OD2 3.09Å |
| 154 | T | 98.5 | Very high | 98.5 | Very high | 78 Ų | 78 | 92.1 Ų | 92.1 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -32.7 | -178.2 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | T150 A151 Q158 | T150-T154 PolarHBondContact O-N 3.42Å; T150-T154 PolarHBondContact O-OG1 3.04Å; A151-T154 PolarHBondContact O-OG1 3.36Å; T154-Q158 WeakPolarHBondContact O-CB 3.19Å; T154-Q158 WeakPolarHBondContact O-CG 3.44Å; T154-Q158 PolarHBondContact O-N 2.71Å |
| 155 | N | 98.5 | Very high | 98.5 | Very high | 70 Ų | 70 | 94.9 Ų | 94.9 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.9 | -36 | 172.8 | -170.6 | -115.8 | 0 | 0 | 0 | 112.6 | A151 R152 S153 Q158 R159 | A151-N155 PolarHBondContact O-N 3.24Å; A151-N155 VanDerWaalsContact O-N 3.15Å; R152-N155 PolarHBondContact O-N 2.87Å; S153-N155 VanDerWaalsContact C-N 3.32Å; S153-N155 PolarHBondContact O-N 3.06Å; N155-Q158 PolarHBondContact ND2-OE1 3.38Å; N155-Q158 WeakPolarHBondContact O-CB 3.36Å; N155-Q158 PolarHBondContact O-N 2.81Å; N155-R159 WeakPolarHBondContact O-CG 3.37Å; N155-R159 PolarHBondContact O-N 2.94Å; N155-R159 PolarHBondContact OD1-NE 2.96Å |
| 156 | E | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 94.3 Ų | 94.3 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | 175.8 | -176.2 | 62.3 | -167.2 | 0 | 0 | 111.7 | R152 S153 R159 R160 | R152-E156 WeakPolarHBondContact O-CB 3.34Å; R152-E156 PolarHBondContact O-N 3.39Å; S153-E156 PolarHBondContact O-N 3.42Å; S153-E156 VanDerWaalsContact O-N 3.13Å; E156-R159 WeakPolarHBondContact O-CB 3.46Å; E156-R159 PolarHBondContact O-N 3.21Å; E156-R159 WeakPolarHBondContact OE2-CD 3.26Å; E156-R159 IonicContact OE2-NH1 3.15Å; E156-R159 PolarHBondContact OE2-NH1 3.35Å; E156-R160 VanDerWaalsContact CG-NH2 3.29Å; E156-R160 WeakPolarHBondContact O-CG 3.38Å; E156-R160 PolarHBondContact O-N 3.47Å; E156-R160 IonicContact OE1-NE 3.44Å; E156-R160 IonicContact OE1-NH2 3.43Å |
| 157 | D | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 97.6 Ų | 97.6 | 32% | 0.316 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 171.4 | -66.6 | -43.2 | 0 | 0 | 0 | 112.1 | S153 R159 R160 H161 | S153-D157 PolarHBondContact O-N 2.89Å; S153-D157 VanDerWaalsContact O-OD2 3.09Å; D157-R159 VanDerWaalsContact C-N 3.33Å; D157-R159 PolarHBondContact O-N 3.18Å; D157-R160 PolarHBondContact O-N 3.15Å; D157-R160 IonicContact OD1-CZ 2.72Å; D157-R160 IonicContact OD1-NH1 2.88Å; D157-R160 PolarHBondContact OD1-NH1 2.94Å; D157-H161 WeakPolarHBondContact O-CB 3.29Å; D157-H161 PolarHBondContact O-CD2 2.87Å; D157-H161 VanDerWaalsContact O-CG 3.31Å; D157-H161 PolarHBondContact O-N 3.37Å |
| 158 | Q | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 96.3 Ų | 96.3 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 170 | -76.1 | 166.3 | -0.5 | 0 | 0 | 112.3 | T154 N155 H161 I162 | T154-Q158 WeakPolarHBondContact O-CB 3.19Å; T154-Q158 WeakPolarHBondContact O-CG 3.44Å; T154-Q158 PolarHBondContact O-N 2.71Å; N155-Q158 PolarHBondContact ND2-OE1 3.38Å; N155-Q158 WeakPolarHBondContact O-CB 3.36Å; N155-Q158 PolarHBondContact O-N 2.81Å; Q158-H161 PolarHBondContact O-N 3.41Å; Q158-I162 WeakPolarHBondContact O-CG1 3.32Å; Q158-I162 PolarHBondContact O-N 3.13Å |
| 159 | R | 98.6 | Very high | 98.6 | Very high | 146 Ų | 146 | 97.1 Ų | 97.1 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 175.8 | -73.2 | 167.2 | 176.4 | -172.5 | -5.4 | 112.1 | N155 E156 D157 H161 I162 E163 | N155-R159 WeakPolarHBondContact O-CG 3.37Å; N155-R159 PolarHBondContact O-N 2.94Å; N155-R159 PolarHBondContact OD1-NE 2.96Å; E156-R159 WeakPolarHBondContact O-CB 3.46Å; E156-R159 PolarHBondContact O-N 3.21Å; E156-R159 WeakPolarHBondContact OE2-CD 3.26Å; E156-R159 IonicContact OE2-NH1 3.15Å; E156-R159 PolarHBondContact OE2-NH1 3.35Å; D157-R159 VanDerWaalsContact C-N 3.33Å; D157-R159 PolarHBondContact O-N 3.18Å; R159-H161 VanDerWaalsContact C-N 3.25Å; R159-H161 PolarHBondContact O-N 3.46Å; R159-I162 WeakPolarHBondContact O-CA 3.19Å; R159-I162 WeakPolarHBondContact O-CB 3.27Å; R159-I162 PolarHBondContact O-N 3.36Å; R159-E163 PolarHBondContact O-N 2.89Å |
| 160 | R | 98.8 | Very high | 98.6 | Very high | 113 Ų | 113 | 97.4 Ų | 97.4 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.4 | -41.8 | 173.4 | -65.7 | 163.9 | -170.4 | 161.4 | -2.3 | 111.2 | E156 D157 I162 E163 I164 | E156-R160 VanDerWaalsContact CG-NH2 3.29Å; E156-R160 WeakPolarHBondContact O-CG 3.38Å; E156-R160 PolarHBondContact O-N 3.47Å; E156-R160 IonicContact OE1-NE 3.44Å; E156-R160 IonicContact OE1-NH2 3.43Å; D157-R160 PolarHBondContact O-N 3.15Å; D157-R160 IonicContact OD1-CZ 2.72Å; D157-R160 IonicContact OD1-NH1 2.88Å; D157-R160 PolarHBondContact OD1-NH1 2.94Å; R160-I162 VanDerWaalsContact C-N 3.3Å; R160-I162 PolarHBondContact O-N 3.38Å; R160-E163 PolarHBondContact O-N 3.48Å; R160-I164 WeakPolarHBondContact O-CB 3.39Å; R160-I164 WeakPolarHBondContact O-CD1 3.44Å; R160-I164 WeakPolarHBondContact O-CG1 3.2Å; R160-I164 PolarHBondContact O-N 3.09Å |
| 161 | H | 98.8 | Very high | 98.6 | Very high | 106 Ų | 106 | 96.9 Ų | 96.9 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.3 | -22.4 | 174.6 | -73 | -48.7 | 0 | 0 | 0 | 114.3 | D157 Q158 R159 R165 | D157-H161 WeakPolarHBondContact O-CB 3.29Å; D157-H161 PolarHBondContact O-CD2 2.87Å; D157-H161 VanDerWaalsContact O-CG 3.31Å; D157-H161 PolarHBondContact O-N 3.37Å; Q158-H161 PolarHBondContact O-N 3.41Å; R159-H161 VanDerWaalsContact C-N 3.25Å; R159-H161 PolarHBondContact O-N 3.46Å; H161-R165 VanDerWaalsContact O-CG 3.31Å; H161-R165 WeakPolarHBondContact O-CG 3.4Å; H161-R165 PolarHBondContact O-NH1 2.9Å |
| 162 | I | 98.5 | Very high | 98.6 | Very high | 91 Ų | 91 | 96.7 Ų | 96.7 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.2 | -52.1 | 171.1 | -70.1 | 161.7 | 0 | 0 | 0 | 109 | Q158 R159 R160 I164 R165 D166 | Q158-I162 WeakPolarHBondContact O-CG1 3.32Å; Q158-I162 PolarHBondContact O-N 3.13Å; R159-I162 WeakPolarHBondContact O-CA 3.19Å; R159-I162 WeakPolarHBondContact O-CB 3.27Å; R159-I162 PolarHBondContact O-N 3.36Å; R160-I162 VanDerWaalsContact C-N 3.3Å; R160-I162 PolarHBondContact O-N 3.38Å; I162-I164 VanDerWaalsContact C-N 3.32Å; I162-I164 PolarHBondContact O-N 3.02Å; I162-R165 CarbonylContact O-C 3.57Å; I162-R165 WeakPolarHBondContact O-CA 3.45Å; I162-R165 WeakPolarHBondContact O-CB 3.36Å; I162-R165 PolarHBondContact O-N 2.82Å; I162-D166 WeakPolarHBondContact CG2-OD2 3.21Å; I162-D166 PolarHBondContact O-N 3.4Å |
| 163 | E | 98.6 | Very high | 98.6 | Very high | 135 Ų | 135 | 94.8 Ų | 94.8 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -53 | -44.7 | 178.1 | -177.9 | 178.1 | -149.4 | 0 | 0 | 112.7 | R159 R160 R165 D166 Q167 | R159-E163 PolarHBondContact O-N 2.89Å; R160-E163 PolarHBondContact O-N 3.48Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 3.31Å; E163-D166 PolarHBondContact O-N 2.97Å; E163-Q167 VanDerWaalsContact O-CB 3.28Å; E163-Q167 WeakPolarHBondContact O-CB 3.42Å; E163-Q167 PolarHBondContact O-N 3.43Å |
| 164 | I | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 94.1 Ų | 94.1 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.2 | -36 | 175.6 | -69.7 | 164.7 | 0 | 0 | 0 | 111.9 | R160 I162 A168 | R160-I164 WeakPolarHBondContact O-CB 3.39Å; R160-I164 WeakPolarHBondContact O-CD1 3.44Å; R160-I164 WeakPolarHBondContact O-CG1 3.2Å; R160-I164 PolarHBondContact O-N 3.09Å; I162-I164 VanDerWaalsContact C-N 3.32Å; I162-I164 PolarHBondContact O-N 3.02Å; I164-A168 WeakPolarHBondContact O-CB 3.43Å; I164-A168 PolarHBondContact O-N 3.42Å; I164-A168 VanDerWaalsContact O-N 3.07Å |
| 165 | R | 98.6 | Very high | 98.6 | Very high | 151 Ų | 151 | 96.3 Ų | 96.3 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -74 | -42.1 | 176.9 | -72.2 | 179.1 | -171.9 | 106.5 | -7.3 | 111.5 | H161 I162 E163 Q167 A168 L169 | H161-R165 VanDerWaalsContact O-CG 3.31Å; H161-R165 WeakPolarHBondContact O-CG 3.4Å; H161-R165 PolarHBondContact O-NH1 2.9Å; I162-R165 CarbonylContact O-C 3.57Å; I162-R165 WeakPolarHBondContact O-CA 3.45Å; I162-R165 WeakPolarHBondContact O-CB 3.36Å; I162-R165 PolarHBondContact O-N 2.82Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 3.31Å; R165-Q167 VanDerWaalsContact C-N 3.32Å; R165-Q167 PolarHBondContact O-N 2.98Å; R165-A168 WeakPolarHBondContact O-CB 3.36Å; R165-A168 PolarHBondContact O-N 3.26Å; R165-A168 VanDerWaalsContact O-N 3.15Å; R165-L169 WeakPolarHBondContact O-CB 3.38Å; R165-L169 WeakPolarHBondContact O-CG 3.41Å; R165-L169 PolarHBondContact O-N 3.34Å |
| 166 | D | 98.6 | Very high | 98.6 | Very high | 89 Ų | 89 | 96.8 Ų | 96.8 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 177.4 | -65.1 | -23.6 | 0 | 0 | 0 | 110.9 | I162 E163 A168 L169 S170 | I162-D166 WeakPolarHBondContact CG2-OD2 3.21Å; I162-D166 PolarHBondContact O-N 3.4Å; E163-D166 PolarHBondContact O-N 2.97Å; D166-A168 VanDerWaalsContact C-N 3.35Å; D166-A168 PolarHBondContact O-N 3.33Å; D166-L169 PolarHBondContact O-N 3.45Å; D166-S170 VanDerWaalsContact O-CB 3.3Å; D166-S170 WeakPolarHBondContact O-CB 3.33Å; D166-S170 PolarHBondContact O-N 3.41Å |
| 167 | Q | 98.6 | Very high | 98.6 | Very high | 123 Ų | 123 | 97 Ų | 97 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -36.7 | 172.9 | -175.4 | 56.4 | 90.5 | 0 | 0 | 112.4 | E163 R165 N171 | E163-Q167 VanDerWaalsContact O-CB 3.28Å; E163-Q167 WeakPolarHBondContact O-CB 3.42Å; E163-Q167 PolarHBondContact O-N 3.43Å; R165-Q167 VanDerWaalsContact C-N 3.32Å; R165-Q167 PolarHBondContact O-N 2.98Å; Q167-N171 WeakPolarHBondContact O-CB 3.42Å; Q167-N171 PolarHBondContact O-N 3.4Å |
| 168 | A | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 100.7 Ų | 100.7 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.3 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I164 R165 D166 N171 A172 | I164-A168 WeakPolarHBondContact O-CB 3.43Å; I164-A168 PolarHBondContact O-N 3.42Å; I164-A168 VanDerWaalsContact O-N 3.07Å; R165-A168 WeakPolarHBondContact O-CB 3.36Å; R165-A168 PolarHBondContact O-N 3.26Å; R165-A168 VanDerWaalsContact O-N 3.15Å; D166-A168 VanDerWaalsContact C-N 3.35Å; D166-A168 PolarHBondContact O-N 3.33Å; A168-N171 PolarHBondContact O-N 2.96Å; A168-A172 WeakPolarHBondContact O-CB 3.39Å; A168-A172 PolarHBondContact O-N 3.45Å |
| 169 | L | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 174.5 | -74 | 170 | 0 | 0 | 0 | 111.2 | R165 D166 N171 A172 Q173 | R165-L169 WeakPolarHBondContact O-CB 3.38Å; R165-L169 WeakPolarHBondContact O-CG 3.41Å; R165-L169 PolarHBondContact O-N 3.34Å; D166-L169 PolarHBondContact O-N 3.45Å; L169-N171 VanDerWaalsContact C-N 3.32Å; L169-N171 PolarHBondContact O-N 2.99Å; L169-A172 PolarHBondContact O-N 2.89Å; L169-A172 VanDerWaalsContact O-N 3.15Å; L169-Q173 WeakPolarHBondContact O-CB 3.43Å; L169-Q173 VanDerWaalsContact O-CG 3.31Å; L169-Q173 WeakPolarHBondContact O-CG 3.48Å; L169-Q173 PolarHBondContact O-N 3.29Å |
| 170 | S | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 97.8 Ų | 97.8 | 42% | 0.42 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 173.6 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | D166 A172 Q173 A174 | D166-S170 VanDerWaalsContact O-CB 3.3Å; D166-S170 WeakPolarHBondContact O-CB 3.33Å; D166-S170 PolarHBondContact O-N 3.41Å; S170-A172 PolarHBondContact O-N 3.49Å; S170-Q173 PolarHBondContact O-N 2.94Å; S170-A174 WeakPolarHBondContact O-CB 3.31Å; S170-A174 PolarHBondContact O-N 2.93Å |
| 171 | N | 98.7 | Very high | 98.5 | Very high | 81 Ų | 81 | 96.6 Ų | 96.6 | 43% | 0.433 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 175.2 | -168 | -82.5 | 0 | 0 | 0 | 112.6 | Q167 A168 L169 K175 | Q167-N171 WeakPolarHBondContact O-CB 3.42Å; Q167-N171 PolarHBondContact O-N 3.4Å; A168-N171 PolarHBondContact O-N 2.96Å; L169-N171 VanDerWaalsContact C-N 3.32Å; L169-N171 PolarHBondContact O-N 2.99Å; N171-K175 WeakPolarHBondContact O-CG 3.31Å; N171-K175 PolarHBondContact O-N 3.19Å; N171-K175 WeakPolarHBondContact OD1-CE 3.4Å; N171-K175 PolarHBondContact OD1-NZ 3.26Å |
| 172 | A | 98.6 | Very high | 98.5 | Very high | 49 Ų | 49 | 95.7 Ų | 95.7 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A168 L169 S170 A174 K175 V176 | A168-A172 WeakPolarHBondContact O-CB 3.39Å; A168-A172 PolarHBondContact O-N 3.45Å; L169-A172 PolarHBondContact O-N 2.89Å; L169-A172 VanDerWaalsContact O-N 3.15Å; S170-A172 PolarHBondContact O-N 3.49Å; A172-A174 PolarHBondContact O-N 2.8Å; A172-K175 WeakPolarHBondContact O-CB 3.48Å; A172-K175 PolarHBondContact O-N 3.29Å; A172-K175 VanDerWaalsContact O-N 3.11Å; A172-V176 WeakPolarHBondContact O-CG2 3.21Å; A172-V176 PolarHBondContact O-N 2.87Å |
| 173 | Q | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 96.8 Ų | 96.8 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58 | -46.9 | 174.4 | -72.4 | 168.2 | -13.5 | 0 | 0 | 111.2 | L169 S170 K175 V176 V177 | L169-Q173 WeakPolarHBondContact O-CB 3.43Å; L169-Q173 VanDerWaalsContact O-CG 3.31Å; L169-Q173 WeakPolarHBondContact O-CG 3.48Å; L169-Q173 PolarHBondContact O-N 3.29Å; S170-Q173 PolarHBondContact O-N 2.94Å; Q173-K175 PolarHBondContact O-N 3Å; Q173-V176 PolarHBondContact O-N 3.46Å; Q173-V176 VanDerWaalsContact O-N 3.11Å; Q173-V177 WeakPolarHBondContact O-CG2 3.5Å; Q173-V177 PolarHBondContact O-N 2.78Å |
| 174 | A | 98.6 | Very high | 98.5 | Very high | 48 Ų | 48 | 96 Ų | 96 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -25.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S170 A172 K178 | S170-A174 WeakPolarHBondContact O-CB 3.31Å; S170-A174 PolarHBondContact O-N 2.93Å; A172-A174 PolarHBondContact O-N 2.8Å; A174-K178 WeakPolarHBondContact O-CD 3.45Å; A174-K178 VanDerWaalsContact O-CG 3.3Å; A174-K178 WeakPolarHBondContact O-CG 3.39Å |
| 175 | K | 98.5 | Very high | 98.4 | Very high | 124 Ų | 124 | 96.3 Ų | 96.3 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -77 | -42.6 | 170.7 | -76 | 163.3 | 173 | 160.1 | 0 | 111.9 | N171 A172 Q173 K178 L179 | N171-K175 WeakPolarHBondContact O-CG 3.31Å; N171-K175 PolarHBondContact O-N 3.19Å; N171-K175 WeakPolarHBondContact OD1-CE 3.4Å; N171-K175 PolarHBondContact OD1-NZ 3.26Å; A172-K175 WeakPolarHBondContact O-CB 3.48Å; A172-K175 PolarHBondContact O-N 3.29Å; A172-K175 VanDerWaalsContact O-N 3.11Å; Q173-K175 PolarHBondContact O-N 3Å; K175-K178 PolarHBondContact O-N 2.89Å; K175-L179 WeakPolarHBondContact O-CG 3.28Å; K175-L179 PolarHBondContact O-N 3.07Å |
| 176 | V | 98.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 95.1 Ų | 95.1 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | A172 Q173 K178 L179 E180 | A172-V176 WeakPolarHBondContact O-CG2 3.21Å; A172-V176 PolarHBondContact O-N 2.87Å; Q173-V176 PolarHBondContact O-N 3.46Å; Q173-V176 VanDerWaalsContact O-N 3.11Å; V176-K178 VanDerWaalsContact C-N 3.3Å; V176-K178 PolarHBondContact O-N 3.34Å; V176-L179 PolarHBondContact O-N 2.83Å; V176-L179 VanDerWaalsContact O-N 3.09Å; V176-E180 HydrophobicContact CG1-CG 4.42Å; V176-E180 PolarHBondContact O-N 2.97Å |
| 177 | V | 98.5 | Very high | 98.4 | Very high | 77 Ų | 77 | 95 Ų | 95 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.4 | -42 | 178 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | Q173 E180 E181 | Q173-V177 WeakPolarHBondContact O-CG2 3.5Å; Q173-V177 PolarHBondContact O-N 2.78Å; V177-E180 WeakPolarHBondContact O-CB 3.35Å; V177-E180 PolarHBondContact O-N 3.34Å; V177-E181 PolarHBondContact O-N 3.48Å |
| 178 | K | 98.4 | Very high | 98.4 | Very high | 135 Ų | 135 | 93.7 Ų | 93.7 | 59% | 0.587 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | 176 | -72.4 | 173.7 | -177.7 | -177.5 | 0 | 112.7 | A174 K175 V176 E181 E182 | A174-K178 WeakPolarHBondContact O-CD 3.45Å; A174-K178 VanDerWaalsContact O-CG 3.3Å; A174-K178 WeakPolarHBondContact O-CG 3.39Å; K175-K178 PolarHBondContact O-N 2.89Å; V176-K178 VanDerWaalsContact C-N 3.3Å; V176-K178 PolarHBondContact O-N 3.34Å; K178-E181 WeakPolarHBondContact O-CB 3.42Å; K178-E181 PolarHBondContact O-N 2.97Å; K178-E182 PolarHBondContact O-N 3.48Å |
| 179 | L | 98.2 | Very high | 98.3 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 56% | 0.56 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.7 | -34.7 | 175.8 | -69.7 | 172.4 | 0 | 0 | 0 | 112.1 | K175 V176 E182 L183 | K175-L179 WeakPolarHBondContact O-CG 3.28Å; K175-L179 PolarHBondContact O-N 3.07Å; V176-L179 PolarHBondContact O-N 2.83Å; V176-L179 VanDerWaalsContact O-N 3.09Å; L179-E182 PolarHBondContact O-N 3.15Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3.34Å |
| 180 | E | 97.9 | Very high | 98.3 | Very high | 88 Ų | 88 | 97.5 Ų | 97.5 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 170.4 | -73.5 | -176.5 | -154.5 | 0 | 0 | 112.1 | V176 V177 E182 L183 K184 | V176-E180 HydrophobicContact CG1-CG 4.42Å; V176-E180 PolarHBondContact O-N 2.97Å; V177-E180 WeakPolarHBondContact O-CB 3.35Å; V177-E180 PolarHBondContact O-N 3.34Å; E180-E182 VanDerWaalsContact C-N 3.32Å; E180-L183 PolarHBondContact O-N 2.88Å; E180-K184 WeakPolarHBondContact O-CB 3.37Å; E180-K184 VanDerWaalsContact O-CD 3.3Å; E180-K184 WeakPolarHBondContact O-CD 3.49Å; E180-K184 WeakPolarHBondContact O-CG 3.3Å; E180-K184 PolarHBondContact O-N 3.26Å; E180-K184 IonicContact OE2-NZ 2.75Å; E180-K184 PolarHBondContact OE2-NZ 2.89Å |
| 181 | E | 98.1 | Very high | 98.3 | Very high | 88 Ų | 88 | 97.2 Ų | 97.2 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 173.7 | -76.5 | -178.4 | -146.3 | 0 | 0 | 111.9 | V177 K178 L183 K184 K185 | V177-E181 PolarHBondContact O-N 3.48Å; K178-E181 WeakPolarHBondContact O-CB 3.42Å; K178-E181 PolarHBondContact O-N 2.97Å; E181-L183 VanDerWaalsContact C-N 3.34Å; E181-K184 PolarHBondContact O-N 3.35Å; E181-K185 WeakPolarHBondContact O-CB 3.4Å; E181-K185 VanDerWaalsContact O-CD 3.29Å; E181-K185 WeakPolarHBondContact O-CD 3.2Å; E181-K185 WeakPolarHBondContact O-CG 3.34Å; E181-K185 PolarHBondContact O-N 2.81Å; E181-K185 IonicContact OE2-NZ 3.45Å; E181-K185 PolarHBondContact OE2-NZ 3.03Å |
| 182 | E | 98.1 | Very high | 98.3 | Very high | 88 Ų | 88 | 100.2 Ų | 100.2 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 173.3 | -79.7 | -171.7 | -146.5 | 0 | 0 | 112.6 | K178 L179 E180 K185 K186 | K178-E182 PolarHBondContact O-N 3.48Å; L179-E182 PolarHBondContact O-N 3.15Å; E180-E182 VanDerWaalsContact C-N 3.32Å; E182-K185 PolarHBondContact O-N 3.48Å; E182-K186 WeakPolarHBondContact O-CB 3.33Å; E182-K186 WeakPolarHBondContact O-CD 3.3Å; E182-K186 VanDerWaalsContact O-CG 3.23Å; E182-K186 WeakPolarHBondContact O-CG 3.34Å; E182-K186 PolarHBondContact O-N 2.87Å; E182-K186 IonicContact OE2-NZ 3.31Å; E182-K186 PolarHBondContact OE2-NZ 3.09Å |
| 183 | L | 98.1 | Very high | 98.3 | Very high | 114 Ų | 114 | 101.9 Ų | 101.9 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | 175.9 | -171.8 | 152.9 | 0 | 0 | 0 | 110.7 | L179 E180 E181 K185 K186 Q187 | L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3.34Å; E180-L183 PolarHBondContact O-N 2.88Å; E181-L183 VanDerWaalsContact C-N 3.34Å; L183-K185 VanDerWaalsContact C-N 3.34Å; L183-K185 PolarHBondContact O-N 2.88Å; L183-K186 PolarHBondContact O-N 3.46Å; L183-Q187 PolarHBondContact O-N 3.26Å |
| 184 | K | 98.3 | Very high | 98.2 | Very high | 119 Ų | 119 | 100.7 Ų | 100.7 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 173.2 | -70.3 | 155.8 | -174.7 | 157.5 | 0 | 111 | E180 E181 Q187 V188 | E180-K184 WeakPolarHBondContact O-CB 3.37Å; E180-K184 VanDerWaalsContact O-CD 3.3Å; E180-K184 WeakPolarHBondContact O-CD 3.49Å; E180-K184 WeakPolarHBondContact O-CG 3.3Å; E180-K184 PolarHBondContact O-N 3.26Å; E180-K184 IonicContact OE2-NZ 2.75Å; E180-K184 PolarHBondContact OE2-NZ 2.89Å; E181-K184 PolarHBondContact O-N 3.35Å; K184-Q187 PolarHBondContact O-N 2.94Å; K184-V188 PolarHBondContact O-N 3.38Å |
| 185 | K | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 104.3 Ų | 104.3 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 173.2 | -69.9 | 157 | -164.9 | 160.3 | 0 | 111.4 | E181 E182 L183 V188 Y189 | E181-K185 WeakPolarHBondContact O-CB 3.4Å; E181-K185 VanDerWaalsContact O-CD 3.29Å; E181-K185 WeakPolarHBondContact O-CD 3.2Å; E181-K185 WeakPolarHBondContact O-CG 3.34Å; E181-K185 PolarHBondContact O-N 2.81Å; E181-K185 IonicContact OE2-NZ 3.45Å; E181-K185 PolarHBondContact OE2-NZ 3.03Å; E182-K185 PolarHBondContact O-N 3.48Å; L183-K185 VanDerWaalsContact C-N 3.34Å; L183-K185 PolarHBondContact O-N 2.88Å; K185-V188 PolarHBondContact O-N 2.73Å; K185-Y189 WeakPolarHBondContact O-CD2 3.48Å |
| 186 | K | 97.9 | Very high | 98.2 | Very high | 125 Ų | 125 | 103.6 Ų | 103.6 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 176.9 | -73.9 | 159.1 | -174.3 | 155.2 | 0 | 112.2 | E182 L183 V188 Y189 V190 | E182-K186 WeakPolarHBondContact O-CB 3.33Å; E182-K186 WeakPolarHBondContact O-CD 3.3Å; E182-K186 VanDerWaalsContact O-CG 3.23Å; E182-K186 WeakPolarHBondContact O-CG 3.34Å; E182-K186 PolarHBondContact O-N 2.87Å; E182-K186 IonicContact OE2-NZ 3.31Å; E182-K186 PolarHBondContact OE2-NZ 3.09Å; L183-K186 PolarHBondContact O-N 3.46Å; K186-V188 PolarHBondContact O-N 3.08Å; K186-Y189 WeakPolarHBondContact O-CB 3.47Å; K186-Y189 PolarHBondContact O-N 3.29Å; K186-Y189 VanDerWaalsContact O-N 3.12Å; K186-V190 PolarHBondContact O-N 3.34Å; K186-V190 VanDerWaalsContact O-N 3.16Å |
| 187 | Q | 97.9 | Very high | 98.1 | Very high | 87 Ų | 87 | 105.1 Ų | 105.1 | 41% | 0.407 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 176.3 | -174 | 60 | 49.3 | 0 | 0 | 112 | L183 K184 Y189 V190 D191 | L183-Q187 PolarHBondContact O-N 3.26Å; K184-Q187 PolarHBondContact O-N 2.94Å; Q187-Y189 PolarHBondContact O-N 3.17Å; Q187-V190 CarbonylContact O-C 3.56Å; Q187-V190 WeakPolarHBondContact O-CA 3.49Å; Q187-V190 WeakPolarHBondContact O-CB 3.31Å; Q187-V190 PolarHBondContact O-N 3.42Å; Q187-D191 PolarHBondContact NE2-OD1 3.47Å; Q187-D191 PolarHBondContact O-N 3.11Å; Q187-D191 VanDerWaalsContact O-OD1 3.08Å |
| 188 | V | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 106.5 Ų | 106.5 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -30.9 | 177 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | K184 K185 K186 K192 | K184-V188 PolarHBondContact O-N 3.38Å; K185-V188 PolarHBondContact O-N 2.73Å; K186-V188 PolarHBondContact O-N 3.08Å; V188-K192 WeakPolarHBondContact O-CB 3.42Å; V188-K192 PolarHBondContact O-N 2.93Å; V188-K192 VanDerWaalsContact O-N 3.17Å |
| 189 | Y | 98.2 | Very high | 98 | Very high | 175 Ų | 175 | 102.7 Ų | 102.7 | 69% | 0.686 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73 | -37.7 | 171.5 | -68 | -77.7 | 0 | 0 | 0 | 112.5 | K185 K186 Q187 K192 V193 | K185-Y189 WeakPolarHBondContact O-CD2 3.48Å; K186-Y189 WeakPolarHBondContact O-CB 3.47Å; K186-Y189 PolarHBondContact O-N 3.29Å; K186-Y189 VanDerWaalsContact O-N 3.12Å; Q187-Y189 PolarHBondContact O-N 3.17Å; Y189-K192 PolarHBondContact O-N 2.84Å; Y189-V193 WeakPolarHBondContact O-CG2 3.38Å; Y189-V193 PolarHBondContact O-N 3.36Å |
| 190 | V | 98.4 | Very high | 98 | Very high | 66 Ų | 66 | 101.7 Ų | 101.7 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -52 | 173 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | K186 Q187 K192 V193 E194 | K186-V190 PolarHBondContact O-N 3.34Å; K186-V190 VanDerWaalsContact O-N 3.16Å; Q187-V190 CarbonylContact O-C 3.56Å; Q187-V190 WeakPolarHBondContact O-CA 3.49Å; Q187-V190 WeakPolarHBondContact O-CB 3.31Å; Q187-V190 PolarHBondContact O-N 3.42Å; V190-K192 PolarHBondContact O-N 3.46Å; V190-K192 VanDerWaalsContact O-N 3.12Å; V190-V193 CarbonylContact O-C 3.6Å; V190-V193 WeakPolarHBondContact O-CA 3.17Å; V190-V193 PolarHBondContact O-N 2.85Å; V190-E194 HydrophobicContact CG1-CG 4.37Å; V190-E194 WeakPolarHBondContact O-CG 3.49Å; V190-E194 PolarHBondContact O-N 2.96Å |
| 191 | D | 97.9 | Very high | 98 | Very high | 53 Ų | 53 | 101.3 Ų | 101.3 | 28% | 0.283 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -52.3 | -36.9 | 174.7 | -68.9 | 19.5 | 0 | 0 | 0 | 112.6 | Q187 K195 | Q187-D191 PolarHBondContact NE2-OD1 3.47Å; Q187-D191 PolarHBondContact O-N 3.11Å; Q187-D191 VanDerWaalsContact O-OD1 3.08Å; D191-K195 WeakPolarHBondContact O-CB 3.3Å; D191-K195 VanDerWaalsContact O-CD 3.23Å; D191-K195 WeakPolarHBondContact O-CD 3.4Å; D191-K195 WeakPolarHBondContact O-CG 3.29Å; D191-K195 PolarHBondContact O-N 3.15Å |
| 192 | K | 98.3 | Very high | 98 | Very high | 145 Ų | 145 | 103.8 Ų | 103.8 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.4 | -37.7 | 178.8 | 179.6 | 58.7 | 178 | 177.7 | 0 | 112 | V188 Y189 V190 M196 | V188-K192 WeakPolarHBondContact O-CB 3.42Å; V188-K192 PolarHBondContact O-N 2.93Å; V188-K192 VanDerWaalsContact O-N 3.17Å; Y189-K192 PolarHBondContact O-N 2.84Å; V190-K192 PolarHBondContact O-N 3.46Å; V190-K192 VanDerWaalsContact O-N 3.12Å; K192-M196 WeakPolarHBondContact O-CB 3.41Å; K192-M196 PolarHBondContact O-N 3.42Å; K192-M196 VanDerWaalsContact O-N 3.07Å |
| 193 | V | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 105 Ų | 105 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 172.5 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | Y189 V190 K195 M196 Q197 | Y189-V193 WeakPolarHBondContact O-CG2 3.38Å; Y189-V193 PolarHBondContact O-N 3.36Å; V190-V193 CarbonylContact O-C 3.6Å; V190-V193 WeakPolarHBondContact O-CA 3.17Å; V190-V193 PolarHBondContact O-N 2.85Å; V193-K195 PolarHBondContact O-N 2.84Å; V193-M196 CarbonylContact O-C 3.6Å; V193-M196 WeakPolarHBondContact O-CB 3.3Å; V193-M196 PolarHBondContact O-N 2.87Å; V193-M196 VanDerWaalsContact O-N 3.16Å; V193-Q197 WeakPolarHBondContact O-CB 3.47Å; V193-Q197 PolarHBondContact O-N 2.91Å |
| 194 | E | 97.8 | Very high | 97.9 | Very high | 102 Ų | 102 | 105 Ų | 105 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 175.1 | -71.8 | -178.7 | -177.3 | 0 | 0 | 111.9 | V190 M196 Q197 Q198 | V190-E194 HydrophobicContact CG1-CG 4.37Å; V190-E194 WeakPolarHBondContact O-CG 3.49Å; V190-E194 PolarHBondContact O-N 2.96Å; E194-M196 VanDerWaalsContact C-N 3.28Å; E194-M196 PolarHBondContact O-N 3.33Å; E194-Q197 PolarHBondContact O-N 3.47Å; E194-Q198 WeakPolarHBondContact O-CB 3.44Å; E194-Q198 VanDerWaalsContact O-CG 3.25Å; E194-Q198 WeakPolarHBondContact O-CG 3.48Å; E194-Q198 PolarHBondContact O-N 3.4Å |
| 195 | K | 98 | Very high | 97.9 | Very high | 123 Ų | 123 | 101 Ų | 101 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -35.3 | 174.9 | -72.9 | 160 | -168.6 | 157 | 0 | 112.2 | D191 V193 A199 | D191-K195 WeakPolarHBondContact O-CB 3.3Å; D191-K195 VanDerWaalsContact O-CD 3.23Å; D191-K195 WeakPolarHBondContact O-CD 3.4Å; D191-K195 WeakPolarHBondContact O-CG 3.29Å; D191-K195 PolarHBondContact O-N 3.15Å; V193-K195 PolarHBondContact O-N 2.84Å; K195-A199 PolarHBondContact O-N 3.31Å; K195-A199 VanDerWaalsContact O-N 3.11Å |
| 196 | M | 97.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -42.4 | 173.5 | -173.2 | 174.5 | 70.8 | 0 | 0 | 111.7 | K192 V193 E194 A199 L200 | K192-M196 WeakPolarHBondContact O-CB 3.41Å; K192-M196 PolarHBondContact O-N 3.42Å; K192-M196 VanDerWaalsContact O-N 3.07Å; V193-M196 CarbonylContact O-C 3.6Å; V193-M196 WeakPolarHBondContact O-CB 3.3Å; V193-M196 PolarHBondContact O-N 2.87Å; V193-M196 VanDerWaalsContact O-N 3.16Å; E194-M196 VanDerWaalsContact C-N 3.28Å; E194-M196 PolarHBondContact O-N 3.33Å; M196-A199 PolarHBondContact O-N 3.11Å; M196-L200 WeakPolarHBondContact O-CG 3.43Å; M196-L200 PolarHBondContact O-N 2.92Å |
| 197 | Q | 97.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 94.2 Ų | 94.2 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.2 | -171.9 | 60.9 | 43.4 | 0 | 0 | 111.6 | V193 E194 L200 V201 | V193-Q197 WeakPolarHBondContact O-CB 3.47Å; V193-Q197 PolarHBondContact O-N 2.91Å; E194-Q197 PolarHBondContact O-N 3.47Å; Q197-L200 PolarHBondContact O-N 2.84Å; Q197-V201 WeakPolarHBondContact O-CG2 3.34Å; Q197-V201 PolarHBondContact O-N 2.84Å |
| 198 | Q | 97.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 94.1 Ų | 94.1 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 173.2 | -71.5 | 166 | 15 | 0 | 0 | 111.5 | E194 L200 V201 Q202 | E194-Q198 WeakPolarHBondContact O-CB 3.44Å; E194-Q198 VanDerWaalsContact O-CG 3.25Å; E194-Q198 WeakPolarHBondContact O-CG 3.48Å; E194-Q198 PolarHBondContact O-N 3.4Å; Q198-L200 PolarHBondContact O-N 3.44Å; Q198-V201 PolarHBondContact O-N 2.92Å; Q198-Q202 VanDerWaalsContact O-CG 3.31Å; Q198-Q202 WeakPolarHBondContact O-CG 3.5Å; Q198-Q202 PolarHBondContact O-N 3.01Å |
| 199 | A | 97.4 | Very high | 97.7 | Very high | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | K195 M196 Q202 L203 | K195-A199 PolarHBondContact O-N 3.31Å; K195-A199 VanDerWaalsContact O-N 3.11Å; M196-A199 PolarHBondContact O-N 3.11Å; A199-Q202 PolarHBondContact O-N 3.25Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 2.97Å |
| 200 | L | 97.7 | Very high | 97.7 | Very high | 87 Ų | 87 | 94.7 Ų | 94.7 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 174.2 | -71.2 | 171.4 | 0 | 0 | 0 | 112.3 | M196 Q197 Q198 L203 Q204 | M196-L200 WeakPolarHBondContact O-CG 3.43Å; M196-L200 PolarHBondContact O-N 2.92Å; Q197-L200 PolarHBondContact O-N 2.84Å; Q198-L200 PolarHBondContact O-N 3.44Å; L200-L203 WeakPolarHBondContact O-CB 3.34Å; L200-L203 PolarHBondContact O-N 3.3Å; L200-Q204 PolarHBondContact O-N 3.24Å |
| 201 | V | 97.9 | Very high | 97.6 | Very high | 80 Ų | 80 | 96.1 Ų | 96.1 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 175 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | Q197 Q198 Q204 A205 | Q197-V201 WeakPolarHBondContact O-CG2 3.34Å; Q197-V201 PolarHBondContact O-N 2.84Å; Q198-V201 PolarHBondContact O-N 2.92Å; V201-Q204 PolarHBondContact O-N 2.83Å; V201-A205 WeakPolarHBondContact O-CB 3.37Å; V201-A205 PolarHBondContact O-N 2.6Å |
| 202 | Q | 97.8 | Very high | 97.5 | Very high | 139 Ų | 139 | 98.1 Ų | 98.1 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 173.5 | -72.4 | 173.6 | 12.1 | 0 | 0 | 112.2 | Q198 A199 A205 A206 | Q198-Q202 VanDerWaalsContact O-CG 3.31Å; Q198-Q202 WeakPolarHBondContact O-CG 3.5Å; Q198-Q202 PolarHBondContact O-N 3.01Å; A199-Q202 PolarHBondContact O-N 3.25Å; Q202-A205 PolarHBondContact O-N 2.8Å; Q202-A206 PolarHBondContact O-N 2.95Å |
| 203 | L | 97.7 | Very high | 97.5 | Very high | 115 Ų | 115 | 95.9 Ų | 95.9 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.9 | -47.8 | 174.4 | -170.6 | 92.9 | 0 | 0 | 0 | 111.1 | A199 L200 A205 A206 C207 | A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 2.97Å; L200-L203 WeakPolarHBondContact O-CB 3.34Å; L200-L203 PolarHBondContact O-N 3.3Å; L203-A205 PolarHBondContact O-N 2.9Å; L203-A206 WeakPolarHBondContact O-CB 3.48Å; L203-A206 PolarHBondContact O-N 3.4Å; L203-A206 VanDerWaalsContact O-N 3.09Å; L203-C207 PolarHBondContact O-N 3.3Å; L203-C207 PolarHBondContact O-SG 2.9Å |
| 204 | Q | 97.4 | Very high | 97.3 | Very high | 114 Ų | 114 | 95.8 Ų | 95.8 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.4 | -49 | 177 | -175.5 | -174 | -35.9 | 0 | 0 | 111.1 | L200 V201 A206 C207 E208 | L200-Q204 PolarHBondContact O-N 3.24Å; V201-Q204 PolarHBondContact O-N 2.83Å; Q204-A206 PolarHBondContact O-N 3.09Å; Q204-C207 WeakPolarHBondContact O-CB 3.49Å; Q204-C207 PolarHBondContact O-N 2.92Å; Q204-E208 HydrophobicContact CG-CG 4.49Å; Q204-E208 WeakPolarHBondContact CG-OE1 3.19Å; Q204-E208 PolarHBondContact NE2-OE1 2.82Å; Q204-E208 WeakPolarHBondContact O-CG 3.3Å; Q204-E208 PolarHBondContact O-N 3.46Å |
| 205 | A | 97.7 | Very high | 97.3 | Very high | 34 Ų | 34 | 96.6 Ų | 96.6 | 28% | 0.281 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -23.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V201 Q202 L203 K209 | V201-A205 WeakPolarHBondContact O-CB 3.37Å; V201-A205 PolarHBondContact O-N 2.6Å; Q202-A205 PolarHBondContact O-N 2.8Å; L203-A205 PolarHBondContact O-N 2.9Å; A205-K209 VanDerWaalsContact O-CD 3.3Å; A205-K209 WeakPolarHBondContact O-CD 3.25Å; A205-K209 WeakPolarHBondContact O-CG 3.41Å; A205-K209 PolarHBondContact O-N 3.24Å |
| 206 | A | 96.6 | Very high | 97.3 | Very high | 56 Ų | 56 | 97.8 Ų | 97.8 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -77.6 | -40.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q202 L203 Q204 K209 R210 | Q202-A206 PolarHBondContact O-N 2.95Å; L203-A206 WeakPolarHBondContact O-CB 3.48Å; L203-A206 PolarHBondContact O-N 3.4Å; L203-A206 VanDerWaalsContact O-N 3.09Å; Q204-A206 PolarHBondContact O-N 3.09Å; A206-K209 PolarHBondContact O-N 3.34Å; A206-R210 WeakPolarHBondContact O-CB 3.2Å; A206-R210 PolarHBondContact O-N 3.09Å |
| 207 | C | 96.8 | Very high | 97.2 | Very high | 42 Ų | 42 | 97.3 Ų | 97.3 | 28% | 0.284 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 172.3 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | L203 Q204 K209 R210 E211 | L203-C207 PolarHBondContact O-N 3.3Å; L203-C207 PolarHBondContact O-SG 2.9Å; Q204-C207 WeakPolarHBondContact O-CB 3.49Å; Q204-C207 PolarHBondContact O-N 2.92Å; C207-K209 VanDerWaalsContact C-N 3.32Å; C207-K209 PolarHBondContact O-N 3.33Å; C207-R210 WeakPolarHBondContact O-CB 3.37Å; C207-R210 PolarHBondContact O-N 3.24Å; C207-R210 VanDerWaalsContact O-N 3.11Å; C207-E211 PolarHBondContact O-N 2.77Å |
| 208 | E | 97.4 | Very high | 97.2 | Very high | 86 Ų | 86 | 98.1 Ų | 98.1 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 176.1 | -70.7 | 170.7 | -170.6 | 0 | 0 | 111.9 | Q204 E211 Q212 | Q204-E208 HydrophobicContact CG-CG 4.49Å; Q204-E208 WeakPolarHBondContact CG-OE1 3.19Å; Q204-E208 PolarHBondContact NE2-OE1 2.82Å; Q204-E208 WeakPolarHBondContact O-CG 3.3Å; Q204-E208 PolarHBondContact O-N 3.46Å; E208-E211 PolarHBondContact O-N 2.8Å; E208-Q212 WeakPolarHBondContact O-CB 3.37Å; E208-Q212 VanDerWaalsContact O-CG 3.28Å; E208-Q212 WeakPolarHBondContact O-CG 3.46Å; E208-Q212 PolarHBondContact O-N 3.24Å |
| 209 | K | 97.6 | Very high | 97.1 | Very high | 135 Ų | 135 | 94.6 Ų | 94.6 | 59% | 0.587 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.8 | -40.9 | 174.5 | -75.8 | 168.4 | -172.1 | 171.6 | 0 | 112.4 | A205 A206 C207 Q212 L213 | A205-K209 VanDerWaalsContact O-CD 3.3Å; A205-K209 WeakPolarHBondContact O-CD 3.25Å; A205-K209 WeakPolarHBondContact O-CG 3.41Å; A205-K209 PolarHBondContact O-N 3.24Å; A206-K209 PolarHBondContact O-N 3.34Å; C207-K209 VanDerWaalsContact C-N 3.32Å; C207-K209 PolarHBondContact O-N 3.33Å; K209-Q212 PolarHBondContact O-N 3.4Å; K209-L213 WeakPolarHBondContact O-CG 3.39Å; K209-L213 PolarHBondContact O-N 2.94Å |
| 210 | R | 97.1 | Very high | 97 | Very high | 146 Ų | 146 | 99 Ų | 99 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 174.8 | 179.3 | -164.5 | 64.8 | -176.3 | -3.5 | 110.8 | A206 C207 L213 E214 | A206-R210 WeakPolarHBondContact O-CB 3.2Å; A206-R210 PolarHBondContact O-N 3.09Å; C207-R210 WeakPolarHBondContact O-CB 3.37Å; C207-R210 PolarHBondContact O-N 3.24Å; C207-R210 VanDerWaalsContact O-N 3.11Å; R210-L213 PolarHBondContact O-N 2.87Å; R210-E214 WeakPolarHBondContact O-CB 3.23Å; R210-E214 PolarHBondContact O-N 2.81Å |
| 211 | E | 96.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 99.5 Ų | 99.5 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 179.2 | -76.6 | 153.6 | -144.1 | 0 | 0 | 112.3 | C207 E208 E214 H215 | C207-E211 PolarHBondContact O-N 2.77Å; E208-E211 PolarHBondContact O-N 2.8Å; E211-E214 PolarHBondContact O-N 2.85Å; E211-H215 VanDerWaalsContact O-CB 3.31Å; E211-H215 WeakPolarHBondContact O-CB 3.16Å; E211-H215 PolarHBondContact O-N 2.87Å |
| 212 | Q | 96.9 | Very high | 96.7 | Very high | 96 Ų | 96 | 101 Ų | 101 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 169.5 | -74.4 | 177.4 | 34.7 | 0 | 0 | 112.7 | E208 K209 R216 | E208-Q212 WeakPolarHBondContact O-CB 3.37Å; E208-Q212 VanDerWaalsContact O-CG 3.28Å; E208-Q212 WeakPolarHBondContact O-CG 3.46Å; E208-Q212 PolarHBondContact O-N 3.24Å; K209-Q212 PolarHBondContact O-N 3.4Å; Q212-R216 WeakPolarHBondContact O-CB 3.35Å; Q212-R216 WeakPolarHBondContact O-CG 3.12Å; Q212-R216 PolarHBondContact O-N 3.44Å |
| 213 | L | 97.2 | Very high | 96.6 | Very high | 97 Ų | 97 | 101.8 Ų | 101.8 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 175.3 | -73.9 | 171.3 | 0 | 0 | 0 | 111.2 | K209 R210 R216 L217 | K209-L213 WeakPolarHBondContact O-CG 3.39Å; K209-L213 PolarHBondContact O-N 2.94Å; R210-L213 PolarHBondContact O-N 2.87Å; L213-R216 PolarHBondContact O-N 3.43Å; L213-L217 WeakPolarHBondContact O-CG 3.47Å; L213-L217 PolarHBondContact O-N 2.82Å |
| 214 | E | 95.8 | Very high | 96.3 | Very high | 83 Ų | 83 | 99.7 Ų | 99.7 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 176.3 | -162.7 | -169.4 | 170.6 | 0 | 0 | 111.3 | R210 E211 R216 L217 R218 | R210-E214 WeakPolarHBondContact O-CB 3.23Å; R210-E214 PolarHBondContact O-N 2.81Å; E211-E214 PolarHBondContact O-N 2.85Å; E214-R216 PolarHBondContact O-N 3.41Å; E214-L217 PolarHBondContact O-N 3.16Å; E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 3.18Å; E214-R218 IonicContact OE1-CZ 2.69Å; E214-R218 VanDerWaalsContact OE1-CZ 3.31Å; E214-R218 IonicContact OE1-NE 2.74Å; E214-R218 PolarHBondContact OE1-NE 3.32Å; E214-R218 IonicContact OE1-NH2 3.94Å; E214-R218 PolarHBondContact OE1-NH2 3.38Å; E214-R218 IonicContact OE2-CZ 2.74Å; E214-R218 IonicContact OE2-NH2 3.13Å; E214-R218 PolarHBondContact OE2-NH2 3.28Å |
| 215 | H | 97.4 | Very high | 96.1 | Very high | 118 Ų | 118 | 98.8 Ų | 98.8 | 55% | 0.546 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 175.1 | -171.7 | 81.9 | 0 | 0 | 0 | 111.5 | E211 L217 R218 T219 | E211-H215 VanDerWaalsContact O-CB 3.31Å; E211-H215 WeakPolarHBondContact O-CB 3.16Å; E211-H215 PolarHBondContact O-N 2.87Å; H215-L217 VanDerWaalsContact C-N 3.3Å; H215-L217 PolarHBondContact O-N 3.42Å; H215-R218 PolarHBondContact O-N 2.96Å; H215-T219 PolarHBondContact O-N 3.22Å; H215-T219 PolarHBondContact O-OG1 2.98Å |
| 216 | R | 97.4 | Very high | 95.8 | Very high | 149 Ų | 149 | 101.3 Ų | 101.3 | 56% | 0.562 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.6 | -38.7 | 174.7 | -70.2 | 167.6 | -155 | 176.5 | 8.5 | 112.3 | Q212 L213 E214 R220 | Q212-R216 WeakPolarHBondContact O-CB 3.35Å; Q212-R216 WeakPolarHBondContact O-CG 3.12Å; Q212-R216 PolarHBondContact O-N 3.44Å; L213-R216 PolarHBondContact O-N 3.43Å; E214-R216 PolarHBondContact O-N 3.41Å; R216-R220 VanDerWaalsContact O-CB 3.28Å; R216-R220 WeakPolarHBondContact O-CB 3.39Å; R216-R220 PolarHBondContact O-N 3.14Å |
| 217 | L | 96.1 | Very high | 95.3 | Very high | 99 Ų | 99 | 102 Ų | 102 | 52% | 0.518 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.9 | -44.8 | 175.7 | -73.1 | 170.3 | 0 | 0 | 0 | 111.6 | L213 E214 H215 R220 L221 | L213-L217 WeakPolarHBondContact O-CG 3.47Å; L213-L217 PolarHBondContact O-N 2.82Å; E214-L217 PolarHBondContact O-N 3.16Å; H215-L217 VanDerWaalsContact C-N 3.3Å; H215-L217 PolarHBondContact O-N 3.42Å; L217-R220 WeakPolarHBondContact O-CB 3.42Å; L217-R220 PolarHBondContact O-N 3.12Å; L217-L221 WeakPolarHBondContact O-CB 3.39Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 3.43Å |
| 218 | R | 96.7 | Very high | 94.8 | Very high | 127 Ų | 127 | 104.8 Ų | 104.8 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.5 | -53.1 | 173.4 | -68.7 | 173.8 | -169.3 | 174.2 | 2.7 | 110.7 | E214 H215 R220 L221 E222 | E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 3.18Å; E214-R218 IonicContact OE1-CZ 2.69Å; E214-R218 VanDerWaalsContact OE1-CZ 3.31Å; E214-R218 IonicContact OE1-NE 2.74Å; E214-R218 PolarHBondContact OE1-NE 3.32Å; E214-R218 IonicContact OE1-NH2 3.94Å; E214-R218 PolarHBondContact OE1-NH2 3.38Å; E214-R218 IonicContact OE2-CZ 2.74Å; E214-R218 IonicContact OE2-NH2 3.13Å; E214-R218 PolarHBondContact OE2-NH2 3.28Å; H215-R218 PolarHBondContact O-N 2.96Å; R218-R220 PolarHBondContact O-N 3.36Å; R218-L221 PolarHBondContact O-N 3.45Å; R218-E222 WeakPolarHBondContact O-CB 3.37Å; R218-E222 VanDerWaalsContact O-CG 3.23Å; R218-E222 WeakPolarHBondContact O-CG 3.43Å; R218-E222 PolarHBondContact O-N 3.4Å |
| 219 | T | 95.7 | Very high | 94.4 | Very high | 33 Ų | 33 | 107.3 Ų | 107.3 | 20% | 0.202 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.8 | -23.8 | 178.4 | -26.3 | 0 | 0 | 0 | 0 | 113.3 | H215 E222 R223 | H215-T219 PolarHBondContact O-N 3.22Å; H215-T219 PolarHBondContact O-OG1 2.98Å; T219-E222 WeakPolarHBondContact CA-OE2 3.49Å; T219-R223 VanDerWaalsContact C-NH1 3.27Å; T219-R223 VanDerWaalsContact O-CG 3.32Å; T219-R223 WeakPolarHBondContact O-CG 3.47Å; T219-R223 PolarHBondContact O-N 2.79Å; T219-R223 PolarHBondContact O-NH1 3.25Å |
| 220 | R | 96.5 | Very high | 93.6 | Very high | 148 Ų | 148 | 104.6 Ų | 104.6 | 56% | 0.558 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.5 | -51.9 | 171.3 | 178 | 178.1 | 169.7 | 171.1 | -0.8 | 110.3 | R216 L217 R218 E222 R223 E224 | R216-R220 VanDerWaalsContact O-CB 3.28Å; R216-R220 WeakPolarHBondContact O-CB 3.39Å; R216-R220 PolarHBondContact O-N 3.14Å; L217-R220 WeakPolarHBondContact O-CB 3.42Å; L217-R220 PolarHBondContact O-N 3.12Å; R218-R220 PolarHBondContact O-N 3.36Å; R220-E222 VanDerWaalsContact C-N 3.31Å; R220-E222 PolarHBondContact O-N 3.04Å; R220-R223 PolarHBondContact O-N 2.97Å; R220-R223 VanDerWaalsContact O-N 3.12Å; R220-E224 HydrophobicContact CG-CG 4.49Å; R220-E224 IonicContact CZ-OE1 2.9Å; R220-E224 IonicContact NE-OE1 2.78Å; R220-E224 PolarHBondContact NE-OE1 3.12Å; R220-E224 IonicContact NE-OE2 3.24Å; R220-E224 IonicContact NH2-OE1 3.26Å; R220-E224 PolarHBondContact NH2-OE1 2.94Å; R220-E224 WeakPolarHBondContact O-CG 3.4Å; R220-E224 PolarHBondContact O-N 3.17Å |
| 221 | L | 94.8 | Very high | 92.6 | Very high | 97 Ų | 97 | 103.6 Ų | 103.6 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 178.7 | -69.2 | 168.7 | 0 | 0 | 0 | 111.9 | L217 R218 E224 L225 | L217-L221 WeakPolarHBondContact O-CB 3.39Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 3.43Å; R218-L221 PolarHBondContact O-N 3.45Å; L221-E224 PolarHBondContact O-N 2.93Å; L221-L225 VanDerWaalsContact O-CB 3.27Å; L221-L225 WeakPolarHBondContact O-CB 3.29Å; L221-L225 VanDerWaalsContact O-CG 3.23Å; L221-L225 WeakPolarHBondContact O-CG 3.4Å; L221-L225 PolarHBondContact O-N 3.43Å |
| 222 | E | 94.3 | Very high | 91.1 | Very high | 110 Ų | 110 | 105.4 Ų | 105.4 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 172.2 | -74.2 | 158.9 | -167.3 | 0 | 0 | 111.8 | R218 T219 R220 E226 | R218-E222 WeakPolarHBondContact O-CB 3.37Å; R218-E222 VanDerWaalsContact O-CG 3.23Å; R218-E222 WeakPolarHBondContact O-CG 3.43Å; R218-E222 PolarHBondContact O-N 3.4Å; T219-E222 WeakPolarHBondContact CA-OE2 3.49Å; R220-E222 VanDerWaalsContact C-N 3.31Å; R220-E222 PolarHBondContact O-N 3.04Å; E222-E226 WeakPolarHBondContact O-CB 3.38Å; E222-E226 PolarHBondContact O-N 2.99Å |
| 223 | R | 94.6 | Very high | 89.7 | Confident | 156 Ų | 156 | 111.5 Ų | 111.5 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69 | -37.4 | 175.2 | -70.4 | 179.5 | -163.1 | 98.5 | -9.3 | 112.6 | T219 R220 S227 | T219-R223 VanDerWaalsContact C-NH1 3.27Å; T219-R223 VanDerWaalsContact O-CG 3.32Å; T219-R223 WeakPolarHBondContact O-CG 3.47Å; T219-R223 PolarHBondContact O-N 2.79Å; T219-R223 PolarHBondContact O-NH1 3.25Å; R220-R223 PolarHBondContact O-N 2.97Å; R220-R223 VanDerWaalsContact O-N 3.12Å; R223-S227 VanDerWaalsContact O-CB 3.29Å; R223-S227 WeakPolarHBondContact O-CB 3.18Å; R223-S227 PolarHBondContact O-N 3.19Å; R223-S227 PolarHBondContact O-OG 2.99Å |
| 224 | E | 92.3 | Very high | 87.8 | Confident | 72 Ų | 72 | 114.6 Ų | 114.6 | 34% | 0.336 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 176.8 | -73.2 | 172 | 168.5 | 0 | 0 | 110.5 | R220 L221 S227 L228 | R220-E224 HydrophobicContact CG-CG 4.49Å; R220-E224 IonicContact CZ-OE1 2.9Å; R220-E224 IonicContact NE-OE1 2.78Å; R220-E224 PolarHBondContact NE-OE1 3.12Å; R220-E224 IonicContact NE-OE2 3.24Å; R220-E224 IonicContact NH2-OE1 3.26Å; R220-E224 PolarHBondContact NH2-OE1 2.94Å; R220-E224 WeakPolarHBondContact O-CG 3.4Å; R220-E224 PolarHBondContact O-N 3.17Å; L221-E224 PolarHBondContact O-N 2.93Å; E224-S227 PolarHBondContact O-N 2.86Å; E224-L228 WeakPolarHBondContact O-CB 3.42Å; E224-L228 VanDerWaalsContact O-CG 3.27Å; E224-L228 WeakPolarHBondContact O-CG 3.49Å; E224-L228 PolarHBondContact O-N 2.82Å |
| 225 | L | 92.3 | Very high | 85.6 | Confident | 94 Ų | 94 | 112.9 Ų | 112.9 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 173.1 | -74.3 | 170.4 | 0 | 0 | 0 | 112.6 | L221 L228 R229 | L221-L225 VanDerWaalsContact O-CB 3.27Å; L221-L225 WeakPolarHBondContact O-CB 3.29Å; L221-L225 VanDerWaalsContact O-CG 3.23Å; L221-L225 WeakPolarHBondContact O-CG 3.4Å; L221-L225 PolarHBondContact O-N 3.43Å; L225-L228 PolarHBondContact O-N 3.25Å; L225-R229 WeakPolarHBondContact O-CG 3.42Å; L225-R229 PolarHBondContact O-N 2.8Å |
| 226 | E | 92.4 | Very high | 83 | Confident | 88 Ų | 88 | 114.1 Ų | 114.1 | 41% | 0.411 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 177.1 | -164 | 57.9 | -151.8 | 0 | 0 | 111.7 | E222 L228 R229 I230 | E222-E226 WeakPolarHBondContact O-CB 3.38Å; E222-E226 PolarHBondContact O-N 2.99Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 2.91Å; E226-R229 PolarHBondContact O-N 2.9Å; E226-R229 WeakPolarHBondContact OE2-CD 3.23Å; E226-R229 IonicContact OE2-CZ 3.12Å; E226-R229 IonicContact OE2-NH1 3.7Å; E226-R229 PolarHBondContact OE2-NH1 3.49Å; E226-I230 HydrophobicContact CG-CD1 4.29Å; E226-I230 WeakPolarHBondContact O-CB 3.46Å; E226-I230 VanDerWaalsContact O-CG1 3.29Å; E226-I230 WeakPolarHBondContact O-CG1 3.5Å; E226-I230 PolarHBondContact O-N 2.83Å |
| 227 | S | 86.3 | Confident | 80.2 | Confident | 71 Ų | 71 | 112 Ų | 112 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 170.3 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | R223 E224 I230 Q231 | R223-S227 VanDerWaalsContact O-CB 3.29Å; R223-S227 WeakPolarHBondContact O-CB 3.18Å; R223-S227 PolarHBondContact O-N 3.19Å; R223-S227 PolarHBondContact O-OG 2.99Å; E224-S227 PolarHBondContact O-N 2.86Å; S227-I230 PolarHBondContact O-N 3.03Å; S227-Q231 VanDerWaalsContact O-CB 3.26Å; S227-Q231 WeakPolarHBondContact O-CB 3.19Å; S227-Q231 PolarHBondContact O-N 3.47Å |
| 228 | L | 86.3 | Confident | 77.6 | Confident | 100 Ų | 100 | 115.2 Ų | 115.2 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.6 | -37.1 | 175 | -73.7 | 167.4 | 0 | 0 | 0 | 112.3 | E224 L225 E226 Q231 Q232 | E224-L228 WeakPolarHBondContact O-CB 3.42Å; E224-L228 VanDerWaalsContact O-CG 3.27Å; E224-L228 WeakPolarHBondContact O-CG 3.49Å; E224-L228 PolarHBondContact O-N 2.82Å; L225-L228 PolarHBondContact O-N 3.25Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 2.91Å; L228-Q231 PolarHBondContact O-N 3.38Å; L228-Q232 VanDerWaalsContact O-CB 3.29Å; L228-Q232 WeakPolarHBondContact O-CB 3.17Å; L228-Q232 PolarHBondContact O-N 2.86Å |
| 229 | R | 87.3 | Confident | 75.1 | Confident | 139 Ų | 139 | 114.3 Ų | 114.3 | 53% | 0.525 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.8 | -41.6 | 172.6 | -74.2 | -177 | -168.2 | 125 | 2.1 | 112.3 | L225 E226 Q232 R233 | L225-R229 WeakPolarHBondContact O-CG 3.42Å; L225-R229 PolarHBondContact O-N 2.8Å; E226-R229 PolarHBondContact O-N 2.9Å; E226-R229 WeakPolarHBondContact OE2-CD 3.23Å; E226-R229 IonicContact OE2-CZ 3.12Å; E226-R229 IonicContact OE2-NH1 3.7Å; E226-R229 PolarHBondContact OE2-NH1 3.49Å; R229-Q232 PolarHBondContact O-N 2.81Å; R229-R233 VanDerWaalsContact O-CB 3.23Å; R229-R233 WeakPolarHBondContact O-CB 3.36Å; R229-R233 PolarHBondContact O-N 3.16Å |
| 230 | I | 82.3 | Confident | 72.9 | Confident | 77 Ų | 77 | 116.7 Ų | 116.7 | 40% | 0.395 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.9 | -43.9 | 175.4 | -68.9 | 165.3 | 0 | 0 | 0 | 109.8 | E226 S227 R233 Q234 | E226-I230 HydrophobicContact CG-CD1 4.29Å; E226-I230 WeakPolarHBondContact O-CB 3.46Å; E226-I230 VanDerWaalsContact O-CG1 3.29Å; E226-I230 WeakPolarHBondContact O-CG1 3.5Å; E226-I230 PolarHBondContact O-N 2.83Å; S227-I230 PolarHBondContact O-N 3.03Å; I230-R233 CarbonylContact O-C 3.53Å; I230-R233 PolarHBondContact O-N 2.91Å; I230-Q234 WeakPolarHBondContact O-CB 3.32Å; I230-Q234 VanDerWaalsContact O-CG 3.3Å; I230-Q234 WeakPolarHBondContact O-CG 3.44Å; I230-Q234 PolarHBondContact O-N 3.39Å |
| 231 | Q | 76.1 | Confident | 70.6 | Confident | 125 Ų | 125 | 117.5 Ų | 117.5 | 58% | 0.584 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.4 | -42.3 | 175.6 | -172.2 | 177 | 9.3 | 0 | 0 | 111.9 | S227 L228 Q234 G235 | S227-Q231 VanDerWaalsContact O-CB 3.26Å; S227-Q231 WeakPolarHBondContact O-CB 3.19Å; S227-Q231 PolarHBondContact O-N 3.47Å; L228-Q231 PolarHBondContact O-N 3.38Å; Q231-Q234 CarbonylContact O-C 3.58Å; Q231-Q234 PolarHBondContact O-N 3.33Å; Q231-G235 VanDerWaalsContact O-CA 3.31Å; Q231-G235 WeakPolarHBondContact O-CA 3.42Å; Q231-G235 PolarHBondContact O-N 3.07Å |
| 232 | Q | 64.8 | Low | 68.3 | Low | 135 Ų | 135 | 116.3 Ų | 116.3 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.8 | -42.2 | 174.4 | -171.8 | -179.6 | 17.6 | 0 | 0 | 111.6 | L228 R229 Q234 G235 | L228-Q232 VanDerWaalsContact O-CB 3.29Å; L228-Q232 WeakPolarHBondContact O-CB 3.17Å; L228-Q232 PolarHBondContact O-N 2.86Å; R229-Q232 PolarHBondContact O-N 2.81Å; Q232-Q234 VanDerWaalsContact C-N 3.25Å; Q232-Q234 PolarHBondContact O-N 3.35Å; Q232-G235 PolarHBondContact O-N 3.35Å |
| 233 | R | 66.3 | Low | 66.6 | Low | 223 Ų | 223 | 115.5 Ų | 115.5 | 84% | 0.842 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.1 | -27.1 | 174.6 | 174.5 | 179.7 | -84.1 | -87.2 | 6 | 112.9 | R229 I230 | R229-R233 VanDerWaalsContact O-CB 3.23Å; R229-R233 WeakPolarHBondContact O-CB 3.36Å; R229-R233 PolarHBondContact O-N 3.16Å; I230-R233 CarbonylContact O-C 3.53Å; I230-R233 PolarHBondContact O-N 2.91Å |
| 234 | Q | 57.5 | Low | 64.5 | Low | 162 Ų | 162 | 116.3 Ų | 116.3 | 76% | 0.757 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -98.9 | -10 | 178.8 | -69.5 | 176.8 | -2.8 | 0 | 0 | 113.8 | I230 Q231 Q232 | I230-Q234 WeakPolarHBondContact O-CB 3.32Å; I230-Q234 VanDerWaalsContact O-CG 3.3Å; I230-Q234 WeakPolarHBondContact O-CG 3.44Å; I230-Q234 PolarHBondContact O-N 3.39Å; Q231-Q234 CarbonylContact O-C 3.58Å; Q231-Q234 PolarHBondContact O-N 3.33Å; Q232-Q234 VanDerWaalsContact C-N 3.25Å; Q232-Q234 PolarHBondContact O-N 3.35Å |
| 235 | G | 51.3 | Low | 62.7 | Low | 47 Ų | 47 | 122.6 Ų | 122.6 | 49% | 0.485 | 64% | 0.636 | S | S | . | * | trans | -136.2 | 30.8 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q231 Q232 S237 | Q231-G235 VanDerWaalsContact O-CA 3.31Å; Q231-G235 WeakPolarHBondContact O-CA 3.42Å; Q231-G235 PolarHBondContact O-N 3.07Å; Q232-G235 PolarHBondContact O-N 3.35Å; G235-S237 PolarHBondContact O-N 2.94Å; G235-S237 VanDerWaalsContact O-N 3.08Å | ||
| 236 | N | 43 | Very low | 61.4 | Low | 145 Ų | 145 | 122.9 Ų | 122.9 | 78% | 0.775 | 64% | 0.639 | S | S | * | * | trans | -84.9 | 58.2 | 176.3 | -161.1 | 99.1 | 0 | 0 | 0 | 112.4 | ||||
| 237 | S | 38.3 | Very low | 60 | Low | 105 Ų | 105 | 120.8 Ų | 120.8 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | trans | -143.2 | 76.1 | 173.3 | 63.2 | 0 | 0 | 0 | 0 | 111 | G235 | G235-S237 PolarHBondContact O-N 2.94Å; G235-S237 VanDerWaalsContact O-N 3.08Å | ||
| 238 | Q | 41.6 | Very low | 59.4 | Low | 166 Ų | 166 | 120.1 Ų | 120.1 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | trans | -73.5 | 146.2 | 166 | -134.5 | -170.1 | -6 | 0 | 0 | 109.5 | T240 | Q238-T240 HydrophobicContact CG-CG2 4.37Š| ||
| 239 | P | 44.3 | Very low | 58.9 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | -129 | 130.6 | 102.4 | 38.8 | -32 | 0 | 0 | 0 | 110.1 | |||||
| 240 | T | 48.3 | Very low | 58.6 | Low | 83 Ų | 83 | 116.4 Ų | 116.4 | 51% | 0.509 | 63% | 0.633 | S | S | . | * | 42 | 117.6 | 78.7 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | Q238 | Q238-T240 HydrophobicContact CG-CG2 4.37Š| |||
| 241 | N | 47.7 | Very low | 58.6 | Low | 165 Ų | 165 | 118.9 Ų | 118.9 | 88% | 0.882 | 64% | 0.644 | S | S | * | * | trans | 124.6 | 30.4 | 173.5 | -60.9 | -9.6 | 0 | 0 | 0 | 116.1 | ||||
| 242 | A | 48.2 | Very low | 59 | Low | 72 Ų | 72 | 117.8 Ų | 117.8 | 60% | 0.595 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -129.4 | 9.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N246 | A242-N246 PolarHBondContact O-ND2 2.95Š|
| 243 | S | 56.8 | Low | 60.2 | Low | 92 Ų | 92 | 115 Ų | 115 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -83.3 | -26.7 | -162.2 | -158.3 | 0 | 0 | 0 | 0 | 115 | A247 | S243-A247 VanDerWaalsContact O-CB 3.24Å; S243-A247 WeakPolarHBondContact O-CB 3.49Å; S243-A247 PolarHBondContact O-N 3.31Å |
| 244 | E | 51.2 | Low | 61.3 | Low | 173 Ų | 173 | 108.6 Ų | 108.6 | 81% | 0.808 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -80 | -43.5 | -166.7 | -65.1 | 175.9 | 167.2 | 0 | 0 | 112.6 | N246 A247 A248 | E244-N246 VanDerWaalsContact C-N 3.33Å; E244-N246 PolarHBondContact O-N 2.9Å; E244-A247 PolarHBondContact O-N 3.25Å; E244-A248 PolarHBondContact O-N 3.5Å |
| 245 | Y | 55.4 | Low | 62.8 | Low | 204 Ų | 204 | 106.2 Ų | 106.2 | 80% | 0.8 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.5 | -38.7 | 171.6 | -169.3 | -99.1 | 0 | 0 | 0 | 111.7 | A249 | Y245-A249 PolarHBondContact O-N 3.18Å; Y245-A249 VanDerWaalsContact O-N 3.12Å |
| 246 | N | 63.7 | Low | 64.8 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 54% | 0.54 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.8 | -32.4 | 174.6 | -78.8 | -76.1 | 0 | 0 | 0 | 112.7 | A242 E244 L250 | A242-N246 PolarHBondContact O-ND2 2.95Å; E244-N246 VanDerWaalsContact C-N 3.33Å; E244-N246 PolarHBondContact O-N 2.9Å; N246-L250 WeakPolarHBondContact O-CB 3.4Å; N246-L250 PolarHBondContact O-N 3.29Å |
| 247 | A | 63.7 | Low | 67.2 | Low | 44 Ų | 44 | 107 Ų | 107 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S243 E244 L250 M251 | S243-A247 VanDerWaalsContact O-CB 3.24Å; S243-A247 WeakPolarHBondContact O-CB 3.49Å; S243-A247 PolarHBondContact O-N 3.31Å; E244-A247 PolarHBondContact O-N 3.25Å; A247-L250 PolarHBondContact O-N 3.11Å; A247-M251 WeakPolarHBondContact O-CG 3.45Å; A247-M251 PolarHBondContact O-N 2.83Å |
| 248 | A | 72.8 | Confident | 69.8 | Low | 56 Ų | 56 | 107 Ų | 107 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.1 | -48.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E244 L250 M251 E252 | E244-A248 PolarHBondContact O-N 3.5Å; A248-L250 VanDerWaalsContact C-N 3.31Å; A248-L250 PolarHBondContact O-N 2.85Å; A248-M251 PolarHBondContact O-N 2.83Å; A248-E252 PolarHBondContact O-N 2.78Å |
| 249 | A | 77.3 | Confident | 72.2 | Confident | 53 Ų | 53 | 104.3 Ų | 104.3 | 44% | 0.438 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.5 | -34.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y245 L253 | Y245-A249 PolarHBondContact O-N 3.18Å; Y245-A249 VanDerWaalsContact O-N 3.12Å; A249-L253 VanDerWaalsContact O-CB 3.27Å; A249-L253 WeakPolarHBondContact O-CB 3.31Å; A249-L253 PolarHBondContact O-N 3.37Å |
| 250 | L | 81 | Confident | 74.6 | Confident | 109 Ų | 109 | 106.1 Ų | 106.1 | 57% | 0.571 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.5 | -38.5 | 175.2 | -177.8 | 62.1 | 0 | 0 | 0 | 111.8 | N246 A247 A248 L253 L254 | N246-L250 WeakPolarHBondContact O-CB 3.4Å; N246-L250 PolarHBondContact O-N 3.29Å; A247-L250 PolarHBondContact O-N 3.11Å; A248-L250 VanDerWaalsContact C-N 3.31Å; A248-L250 PolarHBondContact O-N 2.85Å; L250-L253 PolarHBondContact O-N 3.44Å; L250-L254 VanDerWaalsContact O-CB 3.22Å; L250-L254 WeakPolarHBondContact O-CB 3.4Å; L250-L254 PolarHBondContact O-N 2.95Å |
| 251 | M | 81.6 | Confident | 76.7 | Confident | 129 Ų | 129 | 106.4 Ų | 106.4 | 64% | 0.635 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 174.3 | -75 | -173.9 | -62.5 | 0 | 0 | 111.8 | A247 A248 L254 R255 | A247-M251 WeakPolarHBondContact O-CG 3.45Å; A247-M251 PolarHBondContact O-N 2.83Å; A248-M251 PolarHBondContact O-N 2.83Å; M251-L254 PolarHBondContact O-N 3.39Å; M251-R255 WeakPolarHBondContact O-CB 3.46Å; M251-R255 PolarHBondContact O-N 2.97Å |
| 252 | E | 84.9 | Confident | 79 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 175.8 | -162.2 | 65.9 | -123.5 | 0 | 0 | 111.4 | A248 L254 R255 E256 | A248-E252 PolarHBondContact O-N 2.78Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 3.44Å; E252-R255 CarbonylContact O-C 3.54Å; E252-R255 WeakPolarHBondContact O-CB 3.25Å; E252-R255 PolarHBondContact O-N 3.4Å; E252-R255 IonicContact OE1-CZ 3.71Å; E252-R255 IonicContact OE1-NE 3.74Å; E252-R255 PolarHBondContact OE1-NE 3.01Å; E252-R255 IonicContact OE1-NH2 3.79Å; E252-E256 PolarHBondContact O-N 3.22Å |
| 253 | L | 89.2 | Confident | 81.2 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 173.9 | -179 | 64.4 | 0 | 0 | 0 | 112.6 | A249 L250 E256 K257 | A249-L253 VanDerWaalsContact O-CB 3.27Å; A249-L253 WeakPolarHBondContact O-CB 3.31Å; A249-L253 PolarHBondContact O-N 3.37Å; L250-L253 PolarHBondContact O-N 3.44Å; L253-E256 WeakPolarHBondContact O-CB 3.41Å; L253-E256 PolarHBondContact O-N 3.02Å; L253-K257 VanDerWaalsContact O-CG 3.31Å; L253-K257 WeakPolarHBondContact O-CG 3.49Å; L253-K257 PolarHBondContact O-N 2.96Å |
| 254 | L | 88.9 | Confident | 83 | Confident | 89 Ų | 89 | 102.1 Ų | 102.1 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 175.2 | -159.4 | 165.8 | 0 | 0 | 0 | 109.5 | L250 M251 E252 E256 K257 E258 | L250-L254 VanDerWaalsContact O-CB 3.22Å; L250-L254 WeakPolarHBondContact O-CB 3.4Å; L250-L254 PolarHBondContact O-N 2.95Å; M251-L254 PolarHBondContact O-N 3.39Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 3.44Å; L254-E256 VanDerWaalsContact C-N 3.35Å; L254-E256 PolarHBondContact O-N 2.93Å; L254-K257 CarbonylContact O-C 3.52Å; L254-K257 WeakPolarHBondContact O-CA 3.46Å; L254-K257 WeakPolarHBondContact O-CB 3.36Å; L254-K257 PolarHBondContact O-N 3.48Å; L254-E258 HydrophobicContact CD2-CG 3.92Å; L254-E258 VanDerWaalsContact CD2-OE1 3.29Å; L254-E258 WeakPolarHBondContact CD2-OE1 3.4Å; L254-E258 WeakPolarHBondContact O-CG 3.44Å; L254-E258 PolarHBondContact O-N 2.91Å |
| 255 | R | 90.6 | Very high | 85 | Confident | 111 Ų | 111 | 98.4 Ų | 98.4 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 173.1 | -154.4 | -159.4 | 68 | 65.1 | 8.1 | 112.4 | M251 E252 K257 E258 E259 | M251-R255 WeakPolarHBondContact O-CB 3.46Å; M251-R255 PolarHBondContact O-N 2.97Å; E252-R255 CarbonylContact O-C 3.54Å; E252-R255 WeakPolarHBondContact O-CB 3.25Å; E252-R255 PolarHBondContact O-N 3.4Å; E252-R255 IonicContact OE1-CZ 3.71Å; E252-R255 IonicContact OE1-NE 3.74Å; E252-R255 PolarHBondContact OE1-NE 3.01Å; E252-R255 IonicContact OE1-NH2 3.79Å; R255-K257 VanDerWaalsContact C-N 3.31Å; R255-K257 PolarHBondContact O-N 2.87Å; R255-E258 PolarHBondContact O-N 2.87Å; R255-E259 IonicContact CZ-OE2 2.7Å; R255-E259 VanDerWaalsContact CZ-OE2 3.26Å; R255-E259 IonicContact NH1-OE2 3.5Å; R255-E259 PolarHBondContact NH1-OE2 3.2Å; R255-E259 IonicContact NH2-OE2 3.56Å; R255-E259 PolarHBondContact NH2-OE2 3.09Å; R255-E259 WeakPolarHBondContact O-CB 3.48Å; R255-E259 PolarHBondContact O-N 2.93Å |
| 256 | E | 92 | Very high | 86.9 | Confident | 102 Ų | 102 | 91.4 Ų | 91.4 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -35.5 | 170.3 | -75.9 | -174 | 172.9 | 0 | 0 | 112.2 | E252 L253 L254 R260 | E252-E256 PolarHBondContact O-N 3.22Å; L253-E256 WeakPolarHBondContact O-CB 3.41Å; L253-E256 PolarHBondContact O-N 3.02Å; L254-E256 VanDerWaalsContact C-N 3.35Å; L254-E256 PolarHBondContact O-N 2.93Å; E256-R260 WeakPolarHBondContact O-CB 3.47Å; E256-R260 PolarHBondContact O-N 3.03Å |
| 257 | K | 93.8 | Very high | 88.4 | Confident | 108 Ų | 108 | 89.5 Ų | 89.5 | 47% | 0.47 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.3 | -39 | 176.2 | -65.5 | -27 | 172.8 | -148.4 | 0 | 111.4 | L253 L254 R255 R260 I261 | L253-K257 VanDerWaalsContact O-CG 3.31Å; L253-K257 WeakPolarHBondContact O-CG 3.49Å; L253-K257 PolarHBondContact O-N 2.96Å; L254-K257 CarbonylContact O-C 3.52Å; L254-K257 WeakPolarHBondContact O-CA 3.46Å; L254-K257 WeakPolarHBondContact O-CB 3.36Å; L254-K257 PolarHBondContact O-N 3.48Å; R255-K257 VanDerWaalsContact C-N 3.31Å; R255-K257 PolarHBondContact O-N 2.87Å; K257-R260 CarbonylContact O-C 3.59Å; K257-R260 PolarHBondContact O-N 3.47Å; K257-I261 WeakPolarHBondContact O-CB 3.46Å; K257-I261 WeakPolarHBondContact O-CD1 3.34Å; K257-I261 WeakPolarHBondContact O-CG1 3.44Å; K257-I261 PolarHBondContact O-N 3.45Å |
| 258 | E | 92.3 | Very high | 89.8 | Confident | 105 Ų | 105 | 92.2 Ų | 92.2 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 172.1 | -71 | 171.5 | 158.3 | 0 | 0 | 111.1 | L254 R255 R260 I261 L262 | L254-E258 HydrophobicContact CD2-CG 3.92Å; L254-E258 VanDerWaalsContact CD2-OE1 3.29Å; L254-E258 WeakPolarHBondContact CD2-OE1 3.4Å; L254-E258 WeakPolarHBondContact O-CG 3.44Å; L254-E258 PolarHBondContact O-N 2.91Å; R255-E258 PolarHBondContact O-N 2.87Å; E258-R260 VanDerWaalsContact C-N 3.29Å; E258-R260 PolarHBondContact O-N 3.48Å; E258-I261 PolarHBondContact O-N 2.88Å; E258-L262 WeakPolarHBondContact O-CB 3.46Å; E258-L262 WeakPolarHBondContact O-CG 3.43Å; E258-L262 PolarHBondContact O-N 3.05Å |
| 259 | E | 93.5 | Very high | 90.7 | Very high | 108 Ų | 108 | 93.1 Ų | 93.1 | 51% | 0.505 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 175.1 | -166.4 | 176.2 | 144 | 0 | 0 | 111.7 | R255 A263 | R255-E259 IonicContact CZ-OE2 2.7Å; R255-E259 VanDerWaalsContact CZ-OE2 3.26Å; R255-E259 IonicContact NH1-OE2 3.5Å; R255-E259 PolarHBondContact NH1-OE2 3.2Å; R255-E259 IonicContact NH2-OE2 3.56Å; R255-E259 PolarHBondContact NH2-OE2 3.09Å; R255-E259 WeakPolarHBondContact O-CB 3.48Å; R255-E259 PolarHBondContact O-N 2.93Å; E259-A263 WeakPolarHBondContact O-CB 3.4Å; E259-A263 PolarHBondContact O-N 3.31Å |
| 260 | R | 94.6 | Very high | 91.6 | Very high | 147 Ų | 147 | 96.9 Ų | 96.9 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.1 | -32.9 | 175.3 | -169.2 | 64.9 | -171.5 | 150.8 | 7.1 | 113.4 | E256 K257 E258 L264 | E256-R260 WeakPolarHBondContact O-CB 3.47Å; E256-R260 PolarHBondContact O-N 3.03Å; K257-R260 CarbonylContact O-C 3.59Å; K257-R260 PolarHBondContact O-N 3.47Å; E258-R260 VanDerWaalsContact C-N 3.29Å; E258-R260 PolarHBondContact O-N 3.48Å; R260-L264 HydrophobicContact CG-CD1 4.35Å; R260-L264 WeakPolarHBondContact O-CB 3.41Å; R260-L264 VanDerWaalsContact O-CG 3.27Å; R260-L264 WeakPolarHBondContact O-CG 3.31Å; R260-L264 PolarHBondContact O-N 3.49Å; R260-L264 VanDerWaalsContact O-N 3.08Å |
| 261 | I | 92.4 | Very high | 92.2 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 45% | 0.451 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.4 | -52.2 | 173.6 | -75.1 | 161.3 | 0 | 0 | 0 | 109 | K257 E258 A263 L264 E265 | K257-I261 WeakPolarHBondContact O-CB 3.46Å; K257-I261 WeakPolarHBondContact O-CD1 3.34Å; K257-I261 WeakPolarHBondContact O-CG1 3.44Å; K257-I261 PolarHBondContact O-N 3.45Å; E258-I261 PolarHBondContact O-N 2.88Å; I261-A263 VanDerWaalsContact C-N 3.27Å; I261-A263 PolarHBondContact O-N 3.09Å; I261-L264 CarbonylContact O-C 3.58Å; I261-L264 WeakPolarHBondContact O-CA 3.45Å; I261-L264 PolarHBondContact O-N 3.48Å; I261-E265 HydrophobicContact CG2-CG 4.26Å; I261-E265 WeakPolarHBondContact CG2-OE1 3.28Å; I261-E265 WeakPolarHBondContact O-CG 3.49Å; I261-E265 PolarHBondContact O-N 2.9Å |
| 262 | L | 95.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 97.9 Ų | 97.9 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.2 | -40.1 | 176.5 | -71.1 | 167.2 | 0 | 0 | 0 | 112.2 | E258 E265 A266 | E258-L262 WeakPolarHBondContact O-CB 3.46Å; E258-L262 WeakPolarHBondContact O-CG 3.43Å; E258-L262 PolarHBondContact O-N 3.05Å; L262-E265 PolarHBondContact O-N 3.15Å; L262-A266 WeakPolarHBondContact O-CB 3.47Å; L262-A266 PolarHBondContact O-N 2.86Å |
| 263 | A | 94.1 | Very high | 93.3 | Very high | 39 Ų | 39 | 98.5 Ų | 98.5 | 32% | 0.322 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E259 I261 D267 | E259-A263 WeakPolarHBondContact O-CB 3.4Å; E259-A263 PolarHBondContact O-N 3.31Å; I261-A263 VanDerWaalsContact C-N 3.27Å; I261-A263 PolarHBondContact O-N 3.09Å; A263-D267 PolarHBondContact O-N 3.41Å |
| 264 | L | 95.4 | Very high | 93.5 | Very high | 90 Ų | 90 | 99.5 Ų | 99.5 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.3 | -31.8 | 176.6 | -73 | 169.3 | 0 | 0 | 0 | 112.6 | R260 I261 D267 M268 | R260-L264 HydrophobicContact CG-CD1 4.35Å; R260-L264 WeakPolarHBondContact O-CB 3.41Å; R260-L264 VanDerWaalsContact O-CG 3.27Å; R260-L264 WeakPolarHBondContact O-CG 3.31Å; R260-L264 PolarHBondContact O-N 3.49Å; R260-L264 VanDerWaalsContact O-N 3.08Å; I261-L264 CarbonylContact O-C 3.58Å; I261-L264 WeakPolarHBondContact O-CA 3.45Å; I261-L264 PolarHBondContact O-N 3.48Å; L264-D267 PolarHBondContact O-N 3.21Å; L264-M268 VanDerWaalsContact O-CB 3.24Å; L264-M268 WeakPolarHBondContact O-CB 3.3Å; L264-M268 PolarHBondContact O-N 3.24Å |
| 265 | E | 93.7 | Very high | 93.8 | Very high | 95 Ų | 95 | 102.6 Ų | 102.6 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 171.7 | -70.4 | 171.5 | 165.8 | 0 | 0 | 111.3 | I261 L262 M268 T269 | I261-E265 HydrophobicContact CG2-CG 4.26Å; I261-E265 WeakPolarHBondContact CG2-OE1 3.28Å; I261-E265 WeakPolarHBondContact O-CG 3.49Å; I261-E265 PolarHBondContact O-N 2.9Å; L262-E265 PolarHBondContact O-N 3.15Å; E265-M268 PolarHBondContact O-N 2.67Å; E265-T269 WeakPolarHBondContact O-CG2 3.35Å; E265-T269 PolarHBondContact O-N 3.24Å; E265-T269 PolarHBondContact O-OG1 3.21Å |
| 266 | A | 94.8 | Very high | 94 | Very high | 56 Ų | 56 | 102.3 Ų | 102.3 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L262 T269 K270 | L262-A266 WeakPolarHBondContact O-CB 3.47Å; L262-A266 PolarHBondContact O-N 2.86Å; A266-T269 PolarHBondContact O-OG1 3.11Å; A266-K270 WeakPolarHBondContact O-CB 3.44Å; A266-K270 PolarHBondContact O-N 2.97Å; A266-K270 VanDerWaalsContact O-N 3.17Å |
| 267 | D | 94.7 | Very high | 94.1 | Very high | 62 Ų | 62 | 102 Ų | 102 | 33% | 0.332 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 171.9 | -90.7 | -30.1 | 0 | 0 | 0 | 111.8 | A263 L264 K270 W271 | A263-D267 PolarHBondContact O-N 3.41Å; L264-D267 PolarHBondContact O-N 3.21Å; D267-K270 PolarHBondContact O-N 3.37Å; D267-K270 IonicContact OD1-NZ 2.71Å; D267-K270 PolarHBondContact OD1-NZ 3.21Å; D267-W271 PolarHBondContact O-N 2.89Å |
| 268 | M | 93.1 | Very high | 94.1 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 50% | 0.498 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -56.6 | 176.6 | -179.5 | 179.2 | 76.3 | 0 | 0 | 111.2 | L264 E265 K270 W271 E272 | L264-M268 VanDerWaalsContact O-CB 3.24Å; L264-M268 WeakPolarHBondContact O-CB 3.3Å; L264-M268 PolarHBondContact O-N 3.24Å; E265-M268 PolarHBondContact O-N 2.67Å; M268-K270 VanDerWaalsContact C-N 3.26Å; M268-K270 PolarHBondContact O-N 3.4Å; M268-W271 CarbonylContact O-C 3.59Å; M268-W271 PolarHBondContact O-N 2.96Å; M268-E272 WeakPolarHBondContact O-CG 3.48Å; M268-E272 PolarHBondContact O-N 3.34Å |
| 269 | T | 92.8 | Very high | 94 | Very high | 75 Ų | 75 | 98.5 Ų | 98.5 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.7 | -35.5 | 178.7 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | E265 A266 E272 Q273 | E265-T269 WeakPolarHBondContact O-CG2 3.35Å; E265-T269 PolarHBondContact O-N 3.24Å; E265-T269 PolarHBondContact O-OG1 3.21Å; A266-T269 PolarHBondContact O-OG1 3.11Å; T269-E272 PolarHBondContact O-N 2.92Å; T269-Q273 VanDerWaalsContact O-CB 3.22Å; T269-Q273 WeakPolarHBondContact O-CB 3.19Å; T269-Q273 PolarHBondContact O-N 2.83Å |
| 270 | K | 95.3 | Very high | 94 | Very high | 131 Ų | 131 | 98.3 Ų | 98.3 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.9 | -35.1 | 172.7 | 174.9 | -175.8 | 170.5 | -164.8 | 0 | 113.5 | A266 D267 M268 K274 | A266-K270 WeakPolarHBondContact O-CB 3.44Å; A266-K270 PolarHBondContact O-N 2.97Å; A266-K270 VanDerWaalsContact O-N 3.17Å; D267-K270 PolarHBondContact O-N 3.37Å; D267-K270 IonicContact OD1-NZ 2.71Å; D267-K270 PolarHBondContact OD1-NZ 3.21Å; M268-K270 VanDerWaalsContact C-N 3.26Å; M268-K270 PolarHBondContact O-N 3.4Å; K270-K274 VanDerWaalsContact O-CB 3.31Å; K270-K274 WeakPolarHBondContact O-CB 3.49Å; K270-K274 PolarHBondContact O-N 3.36Å; K270-K274 VanDerWaalsContact O-N 3.09Å |
| 271 | W | 94.5 | Very high | 93.7 | Very high | 156 Ų | 156 | 97.2 Ų | 97.2 | 59% | 0.591 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -76.5 | -33.4 | 172.9 | -76.4 | 113.3 | 0 | 0 | 0 | 112.6 | D267 M268 K274 Y275 | D267-W271 PolarHBondContact O-N 2.89Å; M268-W271 CarbonylContact O-C 3.59Å; M268-W271 PolarHBondContact O-N 2.96Å; W271-K274 HydrophobicContact CE3-CD 4.02Å; W271-K274 HydrophobicContact CZ3-CD 3.83Å; W271-K274 PolarHBondContact O-N 3.01Å; W271-Y275 VanDerWaalsContact O-CB 3.28Å; W271-Y275 WeakPolarHBondContact O-CB 3.39Å; W271-Y275 PolarHBondContact O-N 3.47Å |
| 272 | E | 94.1 | Very high | 93.8 | Very high | 104 Ų | 104 | 99.7 Ų | 99.7 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -49.7 | 171 | -70 | 176.7 | 145.2 | 0 | 0 | 111.3 | M268 T269 K274 Y275 L276 | M268-E272 WeakPolarHBondContact O-CG 3.48Å; M268-E272 PolarHBondContact O-N 3.34Å; T269-E272 PolarHBondContact O-N 2.92Å; E272-K274 VanDerWaalsContact C-N 3.35Å; E272-K274 PolarHBondContact O-N 3.21Å; E272-Y275 PolarHBondContact O-N 3.11Å; E272-L276 WeakPolarHBondContact O-CG 3.41Å; E272-L276 PolarHBondContact O-N 2.9Å |
| 273 | Q | 94 | Very high | 93.5 | Very high | 113 Ų | 113 | 99.8 Ų | 99.8 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -50.5 | -53.3 | 171.7 | 177 | 75 | 31.8 | 0 | 0 | 110.8 | T269 Y275 L276 E277 | T269-Q273 VanDerWaalsContact O-CB 3.22Å; T269-Q273 WeakPolarHBondContact O-CB 3.19Å; T269-Q273 PolarHBondContact O-N 2.83Å; Q273-Y275 PolarHBondContact O-N 3.24Å; Q273-L276 PolarHBondContact O-N 3.3Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.39Å; Q273-E277 PolarHBondContact NE2-OE1 2.92Å; Q273-E277 WeakPolarHBondContact O-CG 3.32Å; Q273-E277 PolarHBondContact O-N 3.43Å |
| 274 | K | 94.4 | Very high | 93.3 | Very high | 99 Ų | 99 | 105.4 Ų | 105.4 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 179.9 | -177 | 174.5 | 173.4 | -176.8 | 0 | 113.2 | K270 W271 E272 E277 E278 | K270-K274 VanDerWaalsContact O-CB 3.31Å; K270-K274 WeakPolarHBondContact O-CB 3.49Å; K270-K274 PolarHBondContact O-N 3.36Å; K270-K274 VanDerWaalsContact O-N 3.09Å; W271-K274 HydrophobicContact CE3-CD 4.02Å; W271-K274 HydrophobicContact CZ3-CD 3.83Å; W271-K274 PolarHBondContact O-N 3.01Å; E272-K274 VanDerWaalsContact C-N 3.35Å; E272-K274 PolarHBondContact O-N 3.21Å; K274-E277 PolarHBondContact O-N 2.99Å; K274-E278 WeakPolarHBondContact O-CB 3.38Å; K274-E278 PolarHBondContact O-N 3.46Å |
| 275 | Y | 94.6 | Very high | 92.9 | Very high | 153 Ų | 153 | 104 Ų | 104 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 174.6 | 170.9 | -100.6 | 0 | 0 | 0 | 111.4 | W271 E272 Q273 E278 N279 | W271-Y275 VanDerWaalsContact O-CB 3.28Å; W271-Y275 WeakPolarHBondContact O-CB 3.39Å; W271-Y275 PolarHBondContact O-N 3.47Å; E272-Y275 PolarHBondContact O-N 3.11Å; Q273-Y275 PolarHBondContact O-N 3.24Å; Y275-E278 PolarHBondContact O-N 2.77Å; Y275-N279 VanDerWaalsContact O-CB 3.23Å; Y275-N279 WeakPolarHBondContact O-CB 3.31Å; Y275-N279 PolarHBondContact O-N 2.74Å |
| 276 | L | 95.4 | Very high | 92.6 | Very high | 105 Ų | 105 | 104.8 Ų | 104.8 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.3 | -68.7 | 170.8 | 0 | 0 | 0 | 111.4 | E272 Q273 N279 V280 | E272-L276 WeakPolarHBondContact O-CG 3.41Å; E272-L276 PolarHBondContact O-N 2.9Å; Q273-L276 PolarHBondContact O-N 3.3Å; L276-N279 PolarHBondContact O-N 3.41Å; L276-V280 WeakPolarHBondContact O-CG2 3.49Å; L276-V280 PolarHBondContact O-N 2.83Å |
| 277 | E | 93.9 | Very high | 92.2 | Very high | 97 Ų | 97 | 106.8 Ų | 106.8 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 173.5 | -72.4 | 168 | -174.2 | 0 | 0 | 112.1 | Q273 K274 N279 V280 M281 | Q273-E277 WeakPolarHBondContact CG-OE1 3.39Å; Q273-E277 PolarHBondContact NE2-OE1 2.92Å; Q273-E277 WeakPolarHBondContact O-CG 3.32Å; Q273-E277 PolarHBondContact O-N 3.43Å; K274-E277 PolarHBondContact O-N 2.99Å; E277-N279 VanDerWaalsContact C-N 3.32Å; E277-N279 PolarHBondContact O-N 2.82Å; E277-V280 PolarHBondContact O-N 2.82Å; E277-M281 WeakPolarHBondContact O-CG 3.46Å; E277-M281 PolarHBondContact O-N 2.87Å |
| 278 | E | 92.6 | Very high | 91.9 | Very high | 76 Ų | 76 | 105.8 Ų | 105.8 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.8 | -31.3 | 177.9 | -158.6 | -174.4 | 131.1 | 0 | 0 | 112.5 | K274 Y275 M281 R282 | K274-E278 WeakPolarHBondContact O-CB 3.38Å; K274-E278 PolarHBondContact O-N 3.46Å; Y275-E278 PolarHBondContact O-N 2.77Å; E278-M281 HydrophobicContact CB-CE 4.42Å; E278-M281 HydrophobicContact CG-CE 4.36Å; E278-R282 PolarHBondContact O-N 3.18Å; E278-R282 IonicContact OE1-CZ 2.62Å; E278-R282 IonicContact OE1-NH1 3.43Å; E278-R282 PolarHBondContact OE1-NH1 3.03Å; E278-R282 IonicContact OE1-NH2 3.98Å; E278-R282 PolarHBondContact OE1-NH2 3.12Å |
| 279 | N | 91.6 | Very high | 91.2 | Very high | 62 Ų | 62 | 103.8 Ų | 103.8 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.1 | -40.2 | 175.6 | -165.1 | 10.5 | 0 | 0 | 0 | 111.8 | Y275 L276 E277 R282 H283 | Y275-N279 VanDerWaalsContact O-CB 3.23Å; Y275-N279 WeakPolarHBondContact O-CB 3.31Å; Y275-N279 PolarHBondContact O-N 2.74Å; L276-N279 PolarHBondContact O-N 3.41Å; E277-N279 VanDerWaalsContact C-N 3.32Å; E277-N279 PolarHBondContact O-N 2.82Å; N279-R282 PolarHBondContact O-N 3.18Å; N279-H283 PolarHBondContact O-N 3.24Å |
| 280 | V | 93.1 | Very high | 90.6 | Very high | 105 Ų | 105 | 103 Ų | 103 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 171 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L276 E277 R282 H283 F284 | L276-V280 WeakPolarHBondContact O-CG2 3.49Å; L276-V280 PolarHBondContact O-N 2.83Å; E277-V280 PolarHBondContact O-N 2.82Å; V280-R282 VanDerWaalsContact C-N 3.34Å; V280-R282 PolarHBondContact O-N 3.18Å; V280-H283 PolarHBondContact O-N 3.32Å; V280-F284 PolarHBondContact O-N 2.95Å |
| 281 | M | 89.1 | Confident | 89.8 | Confident | 124 Ų | 124 | 100.6 Ų | 100.6 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -39.5 | 173.3 | -74.3 | -166.2 | -65.1 | 0 | 0 | 112.5 | E277 E278 F284 A285 | E277-M281 WeakPolarHBondContact O-CG 3.46Å; E277-M281 PolarHBondContact O-N 2.87Å; E278-M281 HydrophobicContact CB-CE 4.42Å; E278-M281 HydrophobicContact CG-CE 4.36Å; M281-F284 PolarHBondContact O-N 2.92Å; M281-A285 VanDerWaalsContact O-CB 3.3Å; M281-A285 WeakPolarHBondContact O-CB 3.19Å; M281-A285 PolarHBondContact O-N 3.03Å |
| 282 | R | 92.8 | Very high | 88.8 | Confident | 139 Ų | 139 | 96.6 Ų | 96.6 | 53% | 0.525 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 174.5 | -82.2 | -162.7 | -176.1 | 77.9 | 9.2 | 113 | E278 N279 V280 A285 L286 | E278-R282 PolarHBondContact O-N 3.18Å; E278-R282 IonicContact OE1-CZ 2.62Å; E278-R282 IonicContact OE1-NH1 3.43Å; E278-R282 PolarHBondContact OE1-NH1 3.03Å; E278-R282 IonicContact OE1-NH2 3.98Å; E278-R282 PolarHBondContact OE1-NH2 3.12Å; N279-R282 PolarHBondContact O-N 3.18Å; V280-R282 VanDerWaalsContact C-N 3.34Å; V280-R282 PolarHBondContact O-N 3.18Å; R282-A285 PolarHBondContact O-N 2.91Å; R282-L286 WeakPolarHBondContact O-CB 3.37Å; R282-L286 WeakPolarHBondContact O-CG 3.34Å; R282-L286 PolarHBondContact O-N 2.8Å |
| 283 | H | 89 | Confident | 87.6 | Confident | 113 Ų | 113 | 94 Ų | 94 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 173.8 | -102.1 | 81.3 | 0 | 0 | 0 | 111.3 | N279 V280 A285 L286 D287 | N279-H283 PolarHBondContact O-N 3.24Å; V280-H283 PolarHBondContact O-N 3.32Å; H283-A285 VanDerWaalsContact C-N 3.3Å; H283-A285 PolarHBondContact O-N 2.91Å; H283-L286 WeakPolarHBondContact O-CB 3.38Å; H283-L286 PolarHBondContact O-N 3.32Å; H283-L286 VanDerWaalsContact O-N 3.1Å; H283-D287 PolarHBondContact O-N 2.81Å |
| 284 | F | 90 | Very high | 86.4 | Confident | 158 Ų | 158 | 91.3 Ų | 91.3 | 69% | 0.693 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 177.7 | -171.4 | -95.7 | 0 | 0 | 0 | 112.5 | V280 M281 A288 | V280-F284 PolarHBondContact O-N 2.95Å; M281-F284 PolarHBondContact O-N 2.92Å; F284-A288 WeakPolarHBondContact O-CB 3.42Å; F284-A288 PolarHBondContact O-N 2.87Å |
| 285 | A | 88.2 | Confident | 85 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | M281 R282 H283 A289 | M281-A285 VanDerWaalsContact O-CB 3.3Å; M281-A285 WeakPolarHBondContact O-CB 3.19Å; M281-A285 PolarHBondContact O-N 3.03Å; R282-A285 PolarHBondContact O-N 2.91Å; H283-A285 VanDerWaalsContact C-N 3.3Å; H283-A285 PolarHBondContact O-N 2.91Å; A285-A289 VanDerWaalsContact O-CB 3.27Å; A285-A289 WeakPolarHBondContact O-CB 3.34Å; A285-A289 PolarHBondContact O-N 2.88Å |
| 286 | L | 87.6 | Confident | 83.2 | Confident | 112 Ų | 112 | 92.6 Ų | 92.6 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.1 | -46.8 | 174.1 | -83.8 | 164.5 | 0 | 0 | 0 | 111.8 | R282 H283 A288 A289 A290 | R282-L286 WeakPolarHBondContact O-CB 3.37Å; R282-L286 WeakPolarHBondContact O-CG 3.34Å; R282-L286 PolarHBondContact O-N 2.8Å; H283-L286 WeakPolarHBondContact O-CB 3.38Å; H283-L286 PolarHBondContact O-N 3.32Å; H283-L286 VanDerWaalsContact O-N 3.1Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 3.25Å; L286-A289 PolarHBondContact O-N 3.48Å; L286-A290 WeakPolarHBondContact O-CB 3.48Å; L286-A290 PolarHBondContact O-N 2.87Å |
| 287 | D | 86.7 | Confident | 81.3 | Confident | 99 Ų | 99 | 93.8 Ų | 93.8 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 177.7 | -72.9 | -25.2 | 0 | 0 | 0 | 111.6 | H283 A290 T291 | H283-D287 PolarHBondContact O-N 2.81Å; D287-A290 PolarHBondContact O-N 3.34Å; D287-T291 VanDerWaalsContact O-CB 3.31Å; D287-T291 WeakPolarHBondContact O-CB 3.23Å; D287-T291 PolarHBondContact O-N 2.88Å; D287-T291 PolarHBondContact O-OG1 3.45Å |
| 288 | A | 86.4 | Confident | 79.4 | Confident | 41 Ų | 41 | 94.3 Ų | 94.3 | 34% | 0.339 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F284 L286 T291 V292 | F284-A288 WeakPolarHBondContact O-CB 3.42Å; F284-A288 PolarHBondContact O-N 2.87Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 3.25Å; A288-T291 PolarHBondContact O-N 2.86Å; A288-V292 WeakPolarHBondContact O-CB 3.32Å; A288-V292 VanDerWaalsContact O-CG2 3.28Å; A288-V292 WeakPolarHBondContact O-CG2 3.28Å; A288-V292 PolarHBondContact O-N 2.68Å |
| 289 | A | 80.1 | Confident | 77.6 | Confident | 59 Ų | 59 | 95.1 Ų | 95.1 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A285 L286 V292 A293 | A285-A289 VanDerWaalsContact O-CB 3.27Å; A285-A289 WeakPolarHBondContact O-CB 3.34Å; A285-A289 PolarHBondContact O-N 2.88Å; L286-A289 PolarHBondContact O-N 3.48Å; A289-V292 PolarHBondContact O-N 3.32Å; A289-A293 PolarHBondContact O-N 2.73Å |
| 290 | A | 79.6 | Confident | 75.9 | Confident | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L286 D287 A293 A294 | L286-A290 WeakPolarHBondContact O-CB 3.48Å; L286-A290 PolarHBondContact O-N 2.87Å; D287-A290 PolarHBondContact O-N 3.34Å; A290-A293 WeakPolarHBondContact O-CB 3.48Å; A290-A293 PolarHBondContact O-N 3.38Å; A290-A294 WeakPolarHBondContact O-CB 3.44Å; A290-A294 PolarHBondContact O-N 2.79Å |
| 291 | T | 77.6 | Confident | 74.1 | Confident | 79 Ų | 79 | 100.3 Ų | 100.3 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.3 | -41.3 | 174.1 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | D287 A288 A293 A294 Q295 | D287-T291 VanDerWaalsContact O-CB 3.31Å; D287-T291 WeakPolarHBondContact O-CB 3.23Å; D287-T291 PolarHBondContact O-N 2.88Å; D287-T291 PolarHBondContact O-OG1 3.45Å; A288-T291 PolarHBondContact O-N 2.86Å; T291-A293 VanDerWaalsContact C-N 3.31Å; T291-A293 PolarHBondContact O-N 2.9Å; T291-A294 PolarHBondContact O-N 2.89Å; T291-Q295 WeakPolarHBondContact O-CB 3.34Å; T291-Q295 WeakPolarHBondContact O-CG 3.37Å; T291-Q295 PolarHBondContact O-N 3.27Å |
| 292 | V | 74.9 | Confident | 72.2 | Confident | 72 Ų | 72 | 98.3 Ų | 98.3 | 44% | 0.436 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.3 | -26.8 | 176 | 166.5 | 0 | 0 | 0 | 0 | 112.6 | A288 A289 R296 | A288-V292 WeakPolarHBondContact O-CB 3.32Å; A288-V292 VanDerWaalsContact O-CG2 3.28Å; A288-V292 WeakPolarHBondContact O-CG2 3.28Å; A288-V292 PolarHBondContact O-N 2.68Å; A289-V292 PolarHBondContact O-N 3.32Å; V292-R296 PolarHBondContact O-N 2.94Å |
| 293 | A | 68.1 | Low | 70.1 | Confident | 49 Ų | 49 | 100.7 Ų | 100.7 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72 | -50.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A289 A290 T291 Q295 R296 D297 | A289-A293 PolarHBondContact O-N 2.73Å; A290-A293 WeakPolarHBondContact O-CB 3.48Å; A290-A293 PolarHBondContact O-N 3.38Å; T291-A293 VanDerWaalsContact C-N 3.31Å; T291-A293 PolarHBondContact O-N 2.9Å; A293-Q295 VanDerWaalsContact C-N 3.26Å; A293-Q295 PolarHBondContact O-N 3.26Å; A293-R296 WeakPolarHBondContact O-CA 3.23Å; A293-R296 WeakPolarHBondContact O-CB 3.5Å; A293-R296 PolarHBondContact O-N 3.3Å; A293-D297 PolarHBondContact O-N 3.23Å; A293-D297 VanDerWaalsContact O-N 3.1Å |
| 294 | A | 69.4 | Low | 67.8 | Low | 58 Ų | 58 | 99.8 Ų | 99.8 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.2 | -31.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A290 T291 T298 | A290-A294 WeakPolarHBondContact O-CB 3.44Å; A290-A294 PolarHBondContact O-N 2.79Å; T291-A294 PolarHBondContact O-N 2.89Å; A294-T298 PolarHBondContact O-N 2.91Å; A294-T298 PolarHBondContact O-OG1 3.37Å |
| 295 | Q | 63.8 | Low | 66.2 | Low | 121 Ų | 121 | 98 Ų | 98 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.7 | -28.5 | 171.2 | -76.3 | -171.1 | 1 | 0 | 0 | 113.3 | T291 A293 T298 T299 | T291-Q295 WeakPolarHBondContact O-CB 3.34Å; T291-Q295 WeakPolarHBondContact O-CG 3.37Å; T291-Q295 PolarHBondContact O-N 3.27Å; A293-Q295 VanDerWaalsContact C-N 3.26Å; A293-Q295 PolarHBondContact O-N 3.26Å; Q295-T298 WeakPolarHBondContact CA-OG1 3.42Å; Q295-T298 PolarHBondContact O-OG1 3.28Å; Q295-T299 WeakPolarHBondContact O-CB 3.27Å; Q295-T299 WeakPolarHBondContact O-CG2 3.23Å; Q295-T299 PolarHBondContact O-N 3.19Å; Q295-T299 PolarHBondContact O-OG1 2.9Å |
| 296 | R | 58 | Low | 64.3 | Low | 157 Ų | 157 | 101.7 Ų | 101.7 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.1 | -45.3 | 171.6 | -82.1 | -176.6 | 164.7 | 80.5 | 0.7 | 111.2 | V292 A293 T298 T299 V300 | V292-R296 PolarHBondContact O-N 2.94Å; A293-R296 WeakPolarHBondContact O-CA 3.23Å; A293-R296 WeakPolarHBondContact O-CB 3.5Å; A293-R296 PolarHBondContact O-N 3.3Å; R296-T298 PolarHBondContact O-N 2.94Å; R296-T299 WeakPolarHBondContact CA-OG1 3.29Å; R296-T299 PolarHBondContact O-N 2.68Å; R296-T299 PolarHBondContact O-OG1 2.81Å; R296-V300 WeakPolarHBondContact O-CG2 3.48Å; R296-V300 PolarHBondContact O-N 2.9Å |
| 297 | D | 54 | Low | 62.8 | Low | 131 Ų | 131 | 100.8 Ų | 100.8 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.4 | -27.9 | 179.6 | -66.9 | -22.2 | 0 | 0 | 0 | 112.8 | A293 | A293-D297 PolarHBondContact O-N 3.23Å; A293-D297 VanDerWaalsContact O-N 3.1Å |
| 298 | T | 55.7 | Low | 61.2 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 66% | 0.663 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -86.1 | -10.3 | 172.6 | 43.3 | 0 | 0 | 0 | 0 | 115 | A294 Q295 R296 | A294-T298 PolarHBondContact O-N 2.91Å; A294-T298 PolarHBondContact O-OG1 3.37Å; Q295-T298 WeakPolarHBondContact CA-OG1 3.42Å; Q295-T298 PolarHBondContact O-OG1 3.28Å; R296-T298 PolarHBondContact O-N 2.94Å |
| 299 | T | 55 | Low | 59.9 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 57% | 0.571 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -113.5 | -7.4 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 115.2 | Q295 R296 I301 | Q295-T299 WeakPolarHBondContact O-CB 3.27Å; Q295-T299 WeakPolarHBondContact O-CG2 3.23Å; Q295-T299 PolarHBondContact O-N 3.19Å; Q295-T299 PolarHBondContact O-OG1 2.9Å; R296-T299 WeakPolarHBondContact CA-OG1 3.29Å; R296-T299 PolarHBondContact O-N 2.68Å; R296-T299 PolarHBondContact O-OG1 2.81Å; T299-I301 PolarHBondContact O-N 3.1Å |
| 300 | V | 54.3 | Low | 59 | Low | 119 Ų | 119 | 109.8 Ų | 109.8 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | trans | -66.4 | -13.9 | 174.4 | 164.6 | 0 | 0 | 0 | 0 | 113.3 | R296 S302 | R296-V300 WeakPolarHBondContact O-CG2 3.48Å; R296-V300 PolarHBondContact O-N 2.9Å; V300-S302 PolarHBondContact O-N 3.32Å | ||
| 301 | I | 55.9 | Low | 58.5 | Low | 157 Ų | 157 | 110.9 Ų | 110.9 | 81% | 0.805 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -77.5 | 57.8 | 165.4 | -44.7 | -179.2 | 0 | 0 | 0 | 110.8 | T299 | T299-I301 PolarHBondContact O-N 3.1Š|
| 302 | S | 49.6 | Very low | 58.3 | Low | 82 Ų | 82 | 110 Ų | 110 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -174.3 | 119.9 | 155.6 | -84.9 | 0 | 0 | 0 | 0 | 112.1 | V300 | V300-S302 PolarHBondContact O-N 3.32Š|
| 303 | H | 47.3 | Very low | 58.4 | Low | 188 Ų | 188 | 111.1 Ų | 111.1 | 87% | 0.87 | 63% | 0.625 | S | S | * | * | trans | 60.6 | 81.4 | 161.9 | -48.3 | -54.3 | 0 | 0 | 0 | 118.3 | ||||
| 304 | S | 41 | Very low | 59 | Low | 94 Ų | 94 | 114.5 Ų | 114.5 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | trans | -108.4 | 132.2 | 150.5 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | N306 | S304-N306 PolarHBondContact O-N 2.91Š| ||
| 305 | P | 57.1 | Low | 59.5 | Low | 122 Ų | 122 | 114.5 Ų | 114.5 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -82.5 | 83.4 | -168.4 | 32.7 | -36.1 | 0 | 0 | 0 | 113.1 | ||
| 306 | N | 48.7 | Very low | 60.4 | Low | 135 Ų | 135 | 116.8 Ų | 116.8 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | trans | -148.3 | 13.4 | 169.9 | -104 | -22.6 | 0 | 0 | 0 | 114.6 | S304 S308 | S304-N306 PolarHBondContact O-N 2.91Å; N306-S308 PolarHBondContact O-N 2.99Å | ||
| 307 | T | 54.6 | Low | 61.8 | Low | 94 Ų | 94 | 113 Ų | 113 | 58% | 0.577 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 5.2 | -166.9 | -27.8 | 0 | 0 | 0 | 0 | 116 | T311 | T307-T311 PolarHBondContact O-OG1 3.35Š|
| 308 | S | 54.9 | Low | 63.3 | Low | 84 Ų | 84 | 112.6 Ų | 112.6 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76 | -34 | -177.6 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | N306 A312 | N306-S308 PolarHBondContact O-N 2.99Å; S308-A312 WeakPolarHBondContact O-CB 3.44Å |
| 309 | Y | 58.3 | Low | 64.8 | Low | 191 Ų | 191 | 114.2 Ų | 114.2 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -80.5 | -40.9 | -178.3 | -81.1 | -85.8 | 0 | 0 | 0 | 113.1 | A312 L313 | Y309-A312 PolarHBondContact O-N 3.32Å; Y309-L313 WeakPolarHBondContact O-CB 3.29Å; Y309-L313 PolarHBondContact O-N 3.21Å |
| 310 | D | 61.4 | Low | 66.3 | Low | 112 Ų | 112 | 114.8 Ų | 114.8 | 60% | 0.599 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.3 | -52.2 | 178 | -106.7 | -7.5 | 0 | 0 | 0 | 111.4 | A312 L313 E314 | D310-A312 PolarHBondContact O-N 3.28Å; D310-L313 WeakPolarHBondContact O-CA 3.27Å; D310-L313 WeakPolarHBondContact O-CB 3.37Å; D310-L313 PolarHBondContact O-N 3.35Å; D310-E314 PolarHBondContact O-N 3.37Å |
| 311 | T | 69.8 | Low | 68 | Low | 83 Ų | 83 | 114.3 Ų | 114.3 | 51% | 0.509 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -58.2 | -36.2 | 179.1 | -44.2 | 0 | 0 | 0 | 0 | 111.9 | T307 A315 | T307-T311 PolarHBondContact O-OG1 3.35Å; T311-A315 VanDerWaalsContact O-CB 3.32Å; T311-A315 WeakPolarHBondContact O-CB 3.5Å; T311-A315 PolarHBondContact O-N 2.9Å; T311-A315 VanDerWaalsContact O-N 3.11Å |
| 312 | A | 73.2 | Confident | 69.6 | Low | 60 Ų | 60 | 113.1 Ų | 113.1 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75.4 | -28.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | S308 Y309 D310 R316 | S308-A312 WeakPolarHBondContact O-CB 3.44Å; Y309-A312 PolarHBondContact O-N 3.32Å; D310-A312 PolarHBondContact O-N 3.28Å; A312-R316 WeakPolarHBondContact O-CB 3.5Å; A312-R316 PolarHBondContact O-N 2.83Å |
| 313 | L | 76.1 | Confident | 71.6 | Confident | 95 Ų | 95 | 115.2 Ų | 115.2 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.2 | -48.1 | 174 | -170.7 | 70.6 | 0 | 0 | 0 | 110.6 | Y309 D310 A315 R316 I317 | Y309-L313 WeakPolarHBondContact O-CB 3.29Å; Y309-L313 PolarHBondContact O-N 3.21Å; D310-L313 WeakPolarHBondContact O-CA 3.27Å; D310-L313 WeakPolarHBondContact O-CB 3.37Å; D310-L313 PolarHBondContact O-N 3.35Å; L313-A315 PolarHBondContact O-N 2.81Å; L313-R316 WeakPolarHBondContact O-CB 3.45Å; L313-R316 PolarHBondContact O-N 3.44Å; L313-R316 VanDerWaalsContact O-N 3.09Å; L313-I317 HydrophobicContact CG-CD1 4.03Å; L313-I317 WeakPolarHBondContact O-CG1 3.44Å; L313-I317 PolarHBondContact O-N 3.48Å |
| 314 | E | 80.8 | Confident | 73.7 | Confident | 121 Ų | 121 | 111 Ų | 111 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.6 | -45.8 | 175.4 | -70.7 | -165.8 | 151.9 | 0 | 0 | 112 | D310 R316 I317 Q318 | D310-E314 PolarHBondContact O-N 3.37Å; E314-R316 PolarHBondContact O-N 2.82Å; E314-I317 PolarHBondContact O-N 3.26Å; E314-I317 VanDerWaalsContact O-N 3.15Å; E314-Q318 WeakPolarHBondContact O-CG 3.43Å; E314-Q318 PolarHBondContact O-N 3.47Å |
| 315 | A | 80.6 | Confident | 76.2 | Confident | 58 Ų | 58 | 112.2 Ų | 112.2 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -25.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T311 L313 K319 | T311-A315 VanDerWaalsContact O-CB 3.32Å; T311-A315 WeakPolarHBondContact O-CB 3.5Å; T311-A315 PolarHBondContact O-N 2.9Å; T311-A315 VanDerWaalsContact O-N 3.11Å; L313-A315 PolarHBondContact O-N 2.81Å; A315-K319 WeakPolarHBondContact O-CB 3.38Å; A315-K319 PolarHBondContact O-N 3.38Å |
| 316 | R | 82.9 | Confident | 77.9 | Confident | 169 Ų | 169 | 111.3 Ų | 111.3 | 64% | 0.638 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -78.3 | -40.5 | 173.3 | -169.9 | 176.1 | -172.2 | -84 | 0.7 | 111.5 | A312 L313 E314 K319 E320 | A312-R316 WeakPolarHBondContact O-CB 3.5Å; A312-R316 PolarHBondContact O-N 2.83Å; L313-R316 WeakPolarHBondContact O-CB 3.45Å; L313-R316 PolarHBondContact O-N 3.44Å; L313-R316 VanDerWaalsContact O-N 3.09Å; E314-R316 PolarHBondContact O-N 2.82Å; R316-K319 PolarHBondContact O-N 3.26Å; R316-E320 IonicContact NH1-OE2 2.69Å; R316-E320 WeakPolarHBondContact O-CB 3.5Å; R316-E320 PolarHBondContact O-N 2.92Å |
| 317 | I | 85.9 | Confident | 79.9 | Confident | 76 Ų | 76 | 106.5 Ų | 106.5 | 39% | 0.39 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -51.1 | 175.8 | -69.1 | 163.7 | 0 | 0 | 0 | 110.4 | L313 E314 K319 E320 E321 | L313-I317 HydrophobicContact CG-CD1 4.03Å; L313-I317 WeakPolarHBondContact O-CG1 3.44Å; L313-I317 PolarHBondContact O-N 3.48Å; E314-I317 PolarHBondContact O-N 3.26Å; E314-I317 VanDerWaalsContact O-N 3.15Å; I317-K319 PolarHBondContact O-N 2.73Å; I317-E320 CarbonylContact O-C 3.6Å; I317-E320 WeakPolarHBondContact O-CA 3.45Å; I317-E320 WeakPolarHBondContact O-CB 3.35Å; I317-E320 PolarHBondContact O-N 2.87Å; I317-E321 HydrophobicContact CG2-CG 4.33Å; I317-E321 WeakPolarHBondContact O-CG 3.29Å; I317-E321 PolarHBondContact O-N 2.91Å |
| 318 | Q | 87 | Confident | 81.8 | Confident | 124 Ų | 124 | 106.4 Ų | 106.4 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.3 | -36.4 | 178.9 | -70.9 | 176.3 | 10 | 0 | 0 | 112.6 | E314 E322 | E314-Q318 WeakPolarHBondContact O-CG 3.43Å; E314-Q318 PolarHBondContact O-N 3.47Å; Q318-E322 PolarHBondContact O-N 2.93Å |
| 319 | K | 86.4 | Confident | 83.7 | Confident | 142 Ų | 142 | 108.2 Ų | 108.2 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.8 | -39 | 174.9 | -175.2 | -179.9 | 176.2 | -175.5 | 0 | 112.5 | A315 R316 I317 E321 E322 E323 | A315-K319 WeakPolarHBondContact O-CB 3.38Å; A315-K319 PolarHBondContact O-N 3.38Å; R316-K319 PolarHBondContact O-N 3.26Å; I317-K319 PolarHBondContact O-N 2.73Å; K319-E321 VanDerWaalsContact C-N 3.35Å; K319-E322 PolarHBondContact O-N 3.33Å; K319-E323 WeakPolarHBondContact O-CB 3.26Å; K319-E323 PolarHBondContact O-N 2.86Å |
| 320 | E | 86.8 | Confident | 85.6 | Confident | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 174.9 | -171.2 | 162.6 | -176.6 | 0 | 0 | 110.7 | R316 I317 E323 I324 | R316-E320 IonicContact NH1-OE2 2.69Å; R316-E320 WeakPolarHBondContact O-CB 3.5Å; R316-E320 PolarHBondContact O-N 2.92Å; I317-E320 CarbonylContact O-C 3.6Å; I317-E320 WeakPolarHBondContact O-CA 3.45Å; I317-E320 WeakPolarHBondContact O-CB 3.35Å; I317-E320 PolarHBondContact O-N 2.87Å; E320-E323 PolarHBondContact O-N 3.1Å; E320-I324 HydrophobicContact CG-CD1 4.12Å; E320-I324 WeakPolarHBondContact O-CB 3.3Å; E320-I324 WeakPolarHBondContact O-CD1 3.31Å; E320-I324 WeakPolarHBondContact O-CG1 3.31Å; E320-I324 PolarHBondContact O-N 3.3Å |
| 321 | E | 89.4 | Confident | 87.2 | Confident | 108 Ų | 108 | 104.5 Ų | 104.5 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 171.9 | -69.9 | 176.5 | 152.8 | 0 | 0 | 112.6 | I317 K319 I324 L325 | I317-E321 HydrophobicContact CG2-CG 4.33Å; I317-E321 WeakPolarHBondContact O-CG 3.29Å; I317-E321 PolarHBondContact O-N 2.91Å; K319-E321 VanDerWaalsContact C-N 3.35Å; E321-I324 PolarHBondContact O-N 3.5Å; E321-L325 WeakPolarHBondContact O-CB 3.36Å; E321-L325 VanDerWaalsContact O-CG 3.31Å; E321-L325 WeakPolarHBondContact O-CG 3.48Å; E321-L325 PolarHBondContact O-N 3.49Å |
| 322 | E | 89.4 | Confident | 88.4 | Confident | 132 Ų | 132 | 105.5 Ų | 105.5 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 174.6 | -171.6 | 179.6 | -160.3 | 0 | 0 | 111.8 | Q318 K319 L325 M326 | Q318-E322 PolarHBondContact O-N 2.93Å; K319-E322 PolarHBondContact O-N 3.33Å; E322-L325 PolarHBondContact O-N 2.92Å; E322-M326 WeakPolarHBondContact O-CB 3.23Å; E322-M326 WeakPolarHBondContact O-CG 3.49Å; E322-M326 PolarHBondContact O-N 2.9Å |
| 323 | E | 91.1 | Very high | 89.5 | Confident | 127 Ų | 127 | 107.6 Ų | 107.6 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.7 | -38.2 | 176 | -174.1 | 162.2 | -173.8 | 0 | 0 | 112 | K319 E320 M326 A327 | K319-E323 WeakPolarHBondContact O-CB 3.26Å; K319-E323 PolarHBondContact O-N 2.86Å; E320-E323 PolarHBondContact O-N 3.1Å; E323-M326 CarbonylContact O-C 3.53Å; E323-M326 PolarHBondContact O-N 2.75Å; E323-A327 VanDerWaalsContact O-CB 3.32Å; E323-A327 WeakPolarHBondContact O-CB 3.4Å; E323-A327 PolarHBondContact O-N 3.08Å |
| 324 | I | 91.4 | Very high | 90.5 | Very high | 98 Ų | 98 | 107.9 Ų | 107.9 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 172.3 | -73.6 | 164.1 | 0 | 0 | 0 | 110.9 | E320 E321 M326 A327 N328 | E320-I324 HydrophobicContact CG-CD1 4.12Å; E320-I324 WeakPolarHBondContact O-CB 3.3Å; E320-I324 WeakPolarHBondContact O-CD1 3.31Å; E320-I324 WeakPolarHBondContact O-CG1 3.31Å; E320-I324 PolarHBondContact O-N 3.3Å; E321-I324 PolarHBondContact O-N 3.5Å; I324-M326 VanDerWaalsContact C-N 3.35Å; I324-M326 PolarHBondContact O-N 3.42Å; I324-A327 PolarHBondContact O-N 3.21Å; I324-N328 VanDerWaalsContact O-CB 3.29Å; I324-N328 WeakPolarHBondContact O-CB 3.37Å; I324-N328 PolarHBondContact O-N 2.95Å |
| 325 | L | 94.2 | Very high | 91.2 | Very high | 121 Ų | 121 | 106.1 Ų | 106.1 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 176.1 | -74.5 | 168.6 | 0 | 0 | 0 | 111.5 | E321 E322 N328 K329 | E321-L325 WeakPolarHBondContact O-CB 3.36Å; E321-L325 VanDerWaalsContact O-CG 3.31Å; E321-L325 WeakPolarHBondContact O-CG 3.48Å; E321-L325 PolarHBondContact O-N 3.49Å; E322-L325 PolarHBondContact O-N 2.92Å; L325-N328 PolarHBondContact O-N 2.92Å; L325-K329 WeakPolarHBondContact O-CB 3.43Å; L325-K329 PolarHBondContact O-N 2.87Å |
| 326 | M | 92.9 | Very high | 92 | Very high | 102 Ų | 102 | 105 Ų | 105 | 50% | 0.502 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.3 | -23.3 | 176.9 | -75.1 | -69.1 | -77.7 | 0 | 0 | 113.6 | E322 E323 I324 K329 R330 | E322-M326 WeakPolarHBondContact O-CB 3.23Å; E322-M326 WeakPolarHBondContact O-CG 3.49Å; E322-M326 PolarHBondContact O-N 2.9Å; E323-M326 CarbonylContact O-C 3.53Å; E323-M326 PolarHBondContact O-N 2.75Å; I324-M326 VanDerWaalsContact C-N 3.35Å; I324-M326 PolarHBondContact O-N 3.42Å; M326-K329 HydrophobicContact SD-CD 4.32Å; M326-R330 WeakPolarHBondContact O-CG 3.28Å; M326-R330 PolarHBondContact O-NE 2.69Å |
| 327 | A | 91.9 | Very high | 92.7 | Very high | 34 Ų | 34 | 105 Ų | 105 | 28% | 0.281 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.3 | -48.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E323 I324 K329 R330 C331 | E323-A327 VanDerWaalsContact O-CB 3.32Å; E323-A327 WeakPolarHBondContact O-CB 3.4Å; E323-A327 PolarHBondContact O-N 3.08Å; I324-A327 PolarHBondContact O-N 3.21Å; A327-K329 VanDerWaalsContact C-N 3.34Å; A327-K329 PolarHBondContact O-N 3.42Å; A327-R330 WeakPolarHBondContact O-CA 3.3Å; A327-R330 WeakPolarHBondContact O-CB 3.27Å; A327-R330 PolarHBondContact O-N 3.19Å; A327-C331 PolarHBondContact O-N 2.88Å; A327-C331 PolarHBondContact O-SG 2.9Å; A327-C331 VanDerWaalsContact O-SG 3.38Å |
| 328 | N | 92.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 105.3 Ų | 105.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | -179 | -158.7 | -9.1 | 0 | 0 | 0 | 111.5 | I324 L325 R330 C331 L332 | I324-N328 VanDerWaalsContact O-CB 3.29Å; I324-N328 WeakPolarHBondContact O-CB 3.37Å; I324-N328 PolarHBondContact O-N 2.95Å; L325-N328 PolarHBondContact O-N 2.92Å; N328-R330 PolarHBondContact O-N 3.43Å; N328-C331 WeakPolarHBondContact O-CB 3.39Å; N328-C331 PolarHBondContact O-N 3.45Å; N328-C331 VanDerWaalsContact O-N 3.14Å; N328-L332 WeakPolarHBondContact O-CG 3.37Å; N328-L332 PolarHBondContact O-N 2.94Å |
| 329 | K | 96.8 | Very high | 93.8 | Very high | 122 Ų | 122 | 103.7 Ų | 103.7 | 53% | 0.53 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.2 | -47.6 | 169.3 | -177.6 | -179.9 | 175.9 | -178.6 | 0 | 112.7 | L325 M326 A327 C331 L332 D333 | L325-K329 WeakPolarHBondContact O-CB 3.43Å; L325-K329 PolarHBondContact O-N 2.87Å; M326-K329 HydrophobicContact SD-CD 4.32Å; A327-K329 VanDerWaalsContact C-N 3.34Å; A327-K329 PolarHBondContact O-N 3.42Å; K329-C331 VanDerWaalsContact C-N 3.3Å; K329-C331 PolarHBondContact O-N 3.28Å; K329-L332 PolarHBondContact O-N 3.48Å; K329-D333 PolarHBondContact O-N 3.25Å |
| 330 | R | 96.3 | Very high | 94.3 | Very high | 146 Ų | 146 | 100.8 Ų | 100.8 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -33.7 | 176.8 | -73.5 | 176.9 | -71.5 | 154.3 | -4.7 | 112.3 | M326 A327 N328 M334 | M326-R330 WeakPolarHBondContact O-CG 3.28Å; M326-R330 PolarHBondContact O-NE 2.69Å; A327-R330 WeakPolarHBondContact O-CA 3.3Å; A327-R330 WeakPolarHBondContact O-CB 3.27Å; A327-R330 PolarHBondContact O-N 3.19Å; N328-R330 PolarHBondContact O-N 3.43Å; R330-M334 WeakPolarHBondContact O-CB 3.35Å; R330-M334 WeakPolarHBondContact O-CG 3.19Å; R330-M334 PolarHBondContact O-N 2.95Å |
| 331 | C | 95.1 | Very high | 94.8 | Very high | 80 Ų | 80 | 99.7 Ų | 99.7 | 54% | 0.541 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 172.6 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | A327 N328 K329 M334 E335 | A327-C331 PolarHBondContact O-N 2.88Å; A327-C331 PolarHBondContact O-SG 2.9Å; A327-C331 VanDerWaalsContact O-SG 3.38Å; N328-C331 WeakPolarHBondContact O-CB 3.39Å; N328-C331 PolarHBondContact O-N 3.45Å; N328-C331 VanDerWaalsContact O-N 3.14Å; K329-C331 VanDerWaalsContact C-N 3.3Å; K329-C331 PolarHBondContact O-N 3.28Å; C331-M334 PolarHBondContact O-N 3.4Å; C331-E335 WeakPolarHBondContact O-CB 3.24Å; C331-E335 PolarHBondContact O-N 3.4Å |
| 332 | L | 96.4 | Very high | 95.1 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 176.1 | -68.3 | 168.5 | 0 | 0 | 0 | 112.3 | N328 K329 M334 E335 G336 | N328-L332 WeakPolarHBondContact O-CG 3.37Å; N328-L332 PolarHBondContact O-N 2.94Å; K329-L332 PolarHBondContact O-N 3.48Å; L332-M334 VanDerWaalsContact C-N 3.32Å; L332-M334 PolarHBondContact O-N 2.89Å; L332-E335 PolarHBondContact O-N 2.92Å; L332-G336 PolarHBondContact O-N 2.77Å |
| 333 | D | 96.4 | Very high | 95.5 | Very high | 105 Ų | 105 | 96.3 Ų | 96.3 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 174.1 | -71.8 | -29.4 | 0 | 0 | 0 | 111.5 | K329 R337 | K329-D333 PolarHBondContact O-N 3.25Å; D333-R337 PolarHBondContact O-N 3.45Å; D333-R337 VanDerWaalsContact O-N 3.09Å |
| 334 | M | 96.8 | Very high | 95.8 | Very high | 100 Ų | 100 | 95 Ų | 95 | 49% | 0.493 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.8 | -74.6 | -97.2 | 54.8 | 0 | 0 | 112.2 | R330 C331 L332 R337 I338 | R330-M334 WeakPolarHBondContact O-CB 3.35Å; R330-M334 WeakPolarHBondContact O-CG 3.19Å; R330-M334 PolarHBondContact O-N 2.95Å; C331-M334 PolarHBondContact O-N 3.4Å; L332-M334 VanDerWaalsContact C-N 3.32Å; L332-M334 PolarHBondContact O-N 2.89Å; M334-R337 HydrophobicContact CE-CB 4.34Å; M334-R337 WeakPolarHBondContact O-CB 3.45Å; M334-R337 PolarHBondContact O-N 2.92Å; M334-I338 WeakPolarHBondContact O-CB 3.28Å; M334-I338 VanDerWaalsContact O-CG1 3.25Å; M334-I338 WeakPolarHBondContact O-CG1 3.4Å; M334-I338 PolarHBondContact O-N 2.95Å |
| 335 | E | 95.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 94.9 Ų | 94.9 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 177.2 | -160.9 | -162.6 | 151.1 | 0 | 0 | 111.6 | C331 L332 R337 I338 K339 | C331-E335 WeakPolarHBondContact O-CB 3.24Å; C331-E335 PolarHBondContact O-N 3.4Å; L332-E335 PolarHBondContact O-N 2.92Å; E335-R337 VanDerWaalsContact C-N 3.33Å; E335-R337 PolarHBondContact O-N 2.84Å; E335-I338 PolarHBondContact O-N 3.4Å; E335-K339 HydrophobicContact CG-CD 4.42Å; E335-K339 WeakPolarHBondContact O-CB 3.37Å; E335-K339 WeakPolarHBondContact O-CG 3.39Å; E335-K339 PolarHBondContact O-N 2.97Å; E335-K339 WeakPolarHBondContact OE1-CE 3.4Å; E335-K339 IonicContact OE1-NZ 2.69Å; E335-K339 PolarHBondContact OE1-NZ 3.17Å |
| 336 | G | 96.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 94.8 Ų | 94.8 | 35% | 0.351 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L332 K339 T340 | L332-G336 PolarHBondContact O-N 2.77Å; G336-K339 PolarHBondContact O-N 3.29Å; G336-T340 WeakPolarHBondContact O-CB 3.47Å; G336-T340 PolarHBondContact O-N 3.18Å; G336-T340 PolarHBondContact O-OG1 3.49Å |
| 337 | R | 97.7 | Very high | 96.4 | Very high | 168 Ų | 168 | 94.6 Ų | 94.6 | 63% | 0.634 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 174.2 | -168.6 | 172.9 | -175.3 | 156.3 | 1 | 112.2 | D333 M334 E335 T340 L341 | D333-R337 PolarHBondContact O-N 3.45Å; D333-R337 VanDerWaalsContact O-N 3.09Å; M334-R337 HydrophobicContact CE-CB 4.34Å; M334-R337 WeakPolarHBondContact O-CB 3.45Å; M334-R337 PolarHBondContact O-N 2.92Å; E335-R337 VanDerWaalsContact C-N 3.33Å; E335-R337 PolarHBondContact O-N 2.84Å; R337-T340 WeakPolarHBondContact O-CB 3.22Å; R337-T340 PolarHBondContact O-N 2.87Å; R337-L341 HydrophobicContact CG-CD1 4.32Å; R337-L341 WeakPolarHBondContact O-CG 3.46Å; R337-L341 PolarHBondContact O-N 3.44Å |
| 338 | I | 97.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 97.9 Ų | 97.9 | 43% | 0.431 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 175.6 | -71.7 | 163.8 | 0 | 0 | 0 | 110.9 | M334 E335 T340 L341 H342 | M334-I338 WeakPolarHBondContact O-CB 3.28Å; M334-I338 VanDerWaalsContact O-CG1 3.25Å; M334-I338 WeakPolarHBondContact O-CG1 3.4Å; M334-I338 PolarHBondContact O-N 2.95Å; E335-I338 PolarHBondContact O-N 3.4Å; I338-T340 VanDerWaalsContact C-N 3.33Å; I338-T340 PolarHBondContact O-N 3.09Å; I338-L341 PolarHBondContact O-N 2.83Å; I338-H342 PolarHBondContact O-N 3.29Å; I338-H342 PolarHBondContact O-ND1 3.26Å |
| 339 | K | 97.8 | Very high | 96.9 | Very high | 89 Ų | 89 | 97 Ų | 97 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.1 | -77.7 | 164.4 | 166.2 | 167.3 | 0 | 111.7 | E335 G336 H342 A343 | E335-K339 HydrophobicContact CG-CD 4.42Å; E335-K339 WeakPolarHBondContact O-CB 3.37Å; E335-K339 WeakPolarHBondContact O-CG 3.39Å; E335-K339 PolarHBondContact O-N 2.97Å; E335-K339 WeakPolarHBondContact OE1-CE 3.4Å; E335-K339 IonicContact OE1-NZ 2.69Å; E335-K339 PolarHBondContact OE1-NZ 3.17Å; G336-K339 PolarHBondContact O-N 3.29Å; K339-H342 PolarHBondContact O-N 3.39Å; K339-A343 PolarHBondContact O-N 2.81Å; K339-A343 VanDerWaalsContact O-N 3.09Å |
| 340 | T | 97 | Very high | 96.9 | Very high | 81 Ų | 81 | 93.6 Ų | 93.6 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 112 | G336 R337 I338 A343 Q344 | G336-T340 WeakPolarHBondContact O-CB 3.47Å; G336-T340 PolarHBondContact O-N 3.18Å; G336-T340 PolarHBondContact O-OG1 3.49Å; R337-T340 WeakPolarHBondContact O-CB 3.22Å; R337-T340 PolarHBondContact O-N 2.87Å; I338-T340 VanDerWaalsContact C-N 3.33Å; I338-T340 PolarHBondContact O-N 3.09Å; T340-A343 PolarHBondContact O-N 2.94Å; T340-Q344 PolarHBondContact O-N 3.18Å; T340-Q344 VanDerWaalsContact O-N 3.08Å |
| 341 | L | 97.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 90.9 Ų | 90.9 | 43% | 0.429 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 177.1 | -72.6 | 169.4 | 0 | 0 | 0 | 112.3 | R337 I338 Q344 I345 | R337-L341 HydrophobicContact CG-CD1 4.32Å; R337-L341 WeakPolarHBondContact O-CG 3.46Å; R337-L341 PolarHBondContact O-N 3.44Å; I338-L341 PolarHBondContact O-N 2.83Å; L341-Q344 PolarHBondContact O-N 3.08Å; L341-I345 VanDerWaalsContact O-CG1 3.29Å; L341-I345 WeakPolarHBondContact O-CG1 3.4Å; L341-I345 PolarHBondContact O-N 3.01Å |
| 342 | H | 97 | Very high | 96.9 | Very high | 110 Ų | 110 | 90.8 Ų | 90.8 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 173.4 | -81.2 | 78.9 | 0 | 0 | 0 | 112 | I338 K339 Q344 I345 I346 | I338-H342 PolarHBondContact O-N 3.29Å; I338-H342 PolarHBondContact O-ND1 3.26Å; K339-H342 PolarHBondContact O-N 3.39Å; H342-Q344 VanDerWaalsContact C-N 3.34Å; H342-Q344 PolarHBondContact O-N 3.47Å; H342-I345 PolarHBondContact O-N 2.77Å; H342-I346 VanDerWaalsContact O-CG1 3.3Å; H342-I346 WeakPolarHBondContact O-CG1 3.16Å; H342-I346 PolarHBondContact O-N 3.01Å |
| 343 | A | 97.7 | Very high | 96.9 | Very high | 60 Ų | 60 | 92.1 Ų | 92.1 | 50% | 0.496 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K339 T340 I346 E347 | K339-A343 PolarHBondContact O-N 2.81Å; K339-A343 VanDerWaalsContact O-N 3.09Å; T340-A343 PolarHBondContact O-N 2.94Å; A343-I346 PolarHBondContact O-N 2.92Å; A343-E347 PolarHBondContact O-N 2.89Å |
| 344 | Q | 97.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 91.3 Ų | 91.3 | 46% | 0.458 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.1 | -71.1 | 179.8 | -1.2 | 0 | 0 | 112.6 | T340 L341 H342 E347 K348 | T340-Q344 PolarHBondContact O-N 3.18Å; T340-Q344 VanDerWaalsContact O-N 3.08Å; L341-Q344 PolarHBondContact O-N 3.08Å; H342-Q344 VanDerWaalsContact C-N 3.34Å; H342-Q344 PolarHBondContact O-N 3.47Å; Q344-E347 PolarHBondContact O-N 3.22Å; Q344-K348 VanDerWaalsContact O-CG 3.3Å; Q344-K348 WeakPolarHBondContact O-CG 3.37Å; Q344-K348 PolarHBondContact O-N 2.96Å |
| 345 | I | 97.3 | Very high | 96.6 | Very high | 97 Ų | 97 | 91.4 Ų | 91.4 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.1 | -70.6 | 163 | 0 | 0 | 0 | 110.3 | L341 H342 E347 K348 D349 | L341-I345 VanDerWaalsContact O-CG1 3.29Å; L341-I345 WeakPolarHBondContact O-CG1 3.4Å; L341-I345 PolarHBondContact O-N 3.01Å; H342-I345 PolarHBondContact O-N 2.77Å; I345-E347 PolarHBondContact O-N 3.44Å; I345-K348 PolarHBondContact O-N 3.46Å; I345-D349 WeakPolarHBondContact O-CB 3.27Å; I345-D349 PolarHBondContact O-N 2.81Å |
| 346 | I | 97.6 | Very high | 96.3 | Very high | 118 Ų | 118 | 92.4 Ų | 92.4 | 61% | 0.605 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.4 | -41.3 | 177.1 | -66.8 | 163.2 | 0 | 0 | 0 | 111.3 | H342 A343 D349 A350 | H342-I346 VanDerWaalsContact O-CG1 3.3Å; H342-I346 WeakPolarHBondContact O-CG1 3.16Å; H342-I346 PolarHBondContact O-N 3.01Å; A343-I346 PolarHBondContact O-N 2.92Å; I346-D349 PolarHBondContact O-N 3.29Å; I346-A350 WeakPolarHBondContact O-CB 3.14Å; I346-A350 PolarHBondContact O-N 2.84Å |
| 347 | E | 96.3 | Very high | 95.9 | Very high | 98 Ų | 98 | 97.6 Ų | 97.6 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 174 | -171.9 | -146.3 | 119.8 | 0 | 0 | 111.7 | A343 Q344 I345 A350 M351 | A343-E347 PolarHBondContact O-N 2.89Å; Q344-E347 PolarHBondContact O-N 3.22Å; I345-E347 PolarHBondContact O-N 3.44Å; E347-A350 PolarHBondContact O-N 3.37Å; E347-M351 WeakPolarHBondContact O-CB 3.31Å; E347-M351 PolarHBondContact O-N 2.88Å |
| 348 | K | 96.7 | Very high | 95.2 | Very high | 104 Ų | 104 | 98.4 Ų | 98.4 | 45% | 0.452 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 177.9 | -65.9 | -56.3 | 174 | -150.2 | 0 | 112.1 | Q344 I345 M351 I352 | Q344-K348 VanDerWaalsContact O-CG 3.3Å; Q344-K348 WeakPolarHBondContact O-CG 3.37Å; Q344-K348 PolarHBondContact O-N 2.96Å; I345-K348 PolarHBondContact O-N 3.46Å; K348-M351 HydrophobicContact CD-SD 4.42Å; K348-M351 WeakPolarHBondContact O-CB 3.35Å; K348-M351 PolarHBondContact O-N 2.88Å; K348-I352 WeakPolarHBondContact O-CB 3.31Å; K348-I352 WeakPolarHBondContact O-CD1 3.45Å; K348-I352 WeakPolarHBondContact O-CG1 3.48Å; K348-I352 PolarHBondContact O-N 3.39Å |
| 349 | D | 97.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 98 Ų | 98 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 173.1 | -91.3 | 3.5 | 0 | 0 | 0 | 112.1 | I345 I346 I352 K353 | I345-D349 WeakPolarHBondContact O-CB 3.27Å; I345-D349 PolarHBondContact O-N 2.81Å; I346-D349 PolarHBondContact O-N 3.29Å; D349-I352 PolarHBondContact O-N 3.47Å; D349-K353 WeakPolarHBondContact O-CB 3.29Å; D349-K353 WeakPolarHBondContact O-CD 3.49Å; D349-K353 WeakPolarHBondContact O-CG 3.35Å; D349-K353 PolarHBondContact O-N 2.83Å |
| 350 | A | 96.9 | Very high | 93 | Very high | 49 Ų | 49 | 103.6 Ų | 103.6 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I346 E347 K353 V354 | I346-A350 WeakPolarHBondContact O-CB 3.14Å; I346-A350 PolarHBondContact O-N 2.84Å; E347-A350 PolarHBondContact O-N 3.37Å; A350-K353 PolarHBondContact O-N 2.92Å; A350-V354 WeakPolarHBondContact O-CG2 3.36Å; A350-V354 PolarHBondContact O-N 3.42Å |
| 351 | M | 96.4 | Very high | 91 | Very high | 89 Ų | 89 | 108 Ų | 108 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.2 | -172.9 | -178.7 | -64.9 | 0 | 0 | 111.9 | E347 K348 V354 L355 | E347-M351 WeakPolarHBondContact O-CB 3.31Å; E347-M351 PolarHBondContact O-N 2.88Å; K348-M351 HydrophobicContact CD-SD 4.42Å; K348-M351 WeakPolarHBondContact O-CB 3.35Å; K348-M351 PolarHBondContact O-N 2.88Å; M351-V354 PolarHBondContact O-N 3.27Å; M351-L355 HydrophobicContact CG-CD1 4.19Å; M351-L355 WeakPolarHBondContact O-CB 3.46Å; M351-L355 VanDerWaalsContact O-CG 3.31Å; M351-L355 WeakPolarHBondContact O-CG 3.5Å; M351-L355 PolarHBondContact O-N 3.25Å |
| 352 | I | 94.6 | Very high | 88.1 | Confident | 79 Ų | 79 | 111.9 Ų | 111.9 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 174.3 | -72.1 | 163.6 | 0 | 0 | 0 | 110.4 | K348 D349 V354 L355 Q356 | K348-I352 WeakPolarHBondContact O-CB 3.31Å; K348-I352 WeakPolarHBondContact O-CD1 3.45Å; K348-I352 WeakPolarHBondContact O-CG1 3.48Å; K348-I352 PolarHBondContact O-N 3.39Å; D349-I352 PolarHBondContact O-N 3.47Å; I352-V354 PolarHBondContact O-N 2.82Å; I352-L355 PolarHBondContact O-N 3.04Å; I352-Q356 HydrophobicContact CG2-CG 4.24Å; I352-Q356 VanDerWaalsContact CG2-NE2 3.35Å; I352-Q356 VanDerWaalsContact O-CB 3.32Å; I352-Q356 WeakPolarHBondContact O-CB 3.42Å; I352-Q356 VanDerWaalsContact O-CG 3.27Å; I352-Q356 WeakPolarHBondContact O-CG 3.48Å; I352-Q356 PolarHBondContact O-N 3.24Å |
| 353 | K | 95.8 | Very high | 85.7 | Confident | 130 Ų | 130 | 111.6 Ų | 111.6 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.4 | -43.2 | 176.1 | -74.2 | 160 | -172.2 | 159.7 | 0 | 111.7 | D349 A350 Q356 Q357 | D349-K353 WeakPolarHBondContact O-CB 3.29Å; D349-K353 WeakPolarHBondContact O-CD 3.49Å; D349-K353 WeakPolarHBondContact O-CG 3.35Å; D349-K353 PolarHBondContact O-N 2.83Å; A350-K353 PolarHBondContact O-N 2.92Å; K353-Q356 PolarHBondContact O-N 2.92Å; K353-Q357 WeakPolarHBondContact O-CB 3.22Å; K353-Q357 PolarHBondContact O-N 2.84Å |
| 354 | V | 94.4 | Very high | 82.9 | Confident | 89 Ų | 89 | 114 Ų | 114 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.3 | -42.8 | 176 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | A350 M351 I352 Q357 R358 | A350-V354 WeakPolarHBondContact O-CG2 3.36Å; A350-V354 PolarHBondContact O-N 3.42Å; M351-V354 PolarHBondContact O-N 3.27Å; I352-V354 PolarHBondContact O-N 2.82Å; V354-Q357 PolarHBondContact O-N 3.45Å; V354-R358 WeakPolarHBondContact O-CB 3.34Å; V354-R358 PolarHBondContact O-N 3.4Å |
| 355 | L | 92.8 | Very high | 80 | Confident | 102 Ų | 102 | 118.3 Ų | 118.3 | 53% | 0.534 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.9 | -38.9 | 177.3 | -71.4 | 171.4 | 0 | 0 | 0 | 112.3 | M351 I352 R358 S359 | M351-L355 HydrophobicContact CG-CD1 4.19Å; M351-L355 WeakPolarHBondContact O-CB 3.46Å; M351-L355 VanDerWaalsContact O-CG 3.31Å; M351-L355 WeakPolarHBondContact O-CG 3.5Å; M351-L355 PolarHBondContact O-N 3.25Å; I352-L355 PolarHBondContact O-N 3.04Å; L355-R358 PolarHBondContact O-N 2.96Å; L355-S359 PolarHBondContact O-N 3.49Å; L355-S359 PolarHBondContact O-OG 2.81Å |
| 356 | Q | 89.6 | Confident | 76.9 | Confident | 106 Ų | 106 | 120.6 Ų | 120.6 | 50% | 0.495 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.4 | -35.3 | 173.4 | -72.3 | 180 | 6.7 | 0 | 0 | 112.5 | I352 K353 S359 R360 | I352-Q356 HydrophobicContact CG2-CG 4.24Å; I352-Q356 VanDerWaalsContact CG2-NE2 3.35Å; I352-Q356 VanDerWaalsContact O-CB 3.32Å; I352-Q356 WeakPolarHBondContact O-CB 3.42Å; I352-Q356 VanDerWaalsContact O-CG 3.27Å; I352-Q356 WeakPolarHBondContact O-CG 3.48Å; I352-Q356 PolarHBondContact O-N 3.24Å; K353-Q356 PolarHBondContact O-N 2.92Å; Q356-S359 PolarHBondContact O-OG 3.39Å; Q356-R360 VanDerWaalsContact O-CB 3.29Å; Q356-R360 WeakPolarHBondContact O-CB 3.38Å; Q356-R360 VanDerWaalsContact O-CG 3.26Å; Q356-R360 WeakPolarHBondContact O-CG 3.36Å; Q356-R360 PolarHBondContact O-N 2.99Å |
| 357 | Q | 87.9 | Confident | 73.9 | Confident | 142 Ų | 142 | 123 Ų | 123 | 66% | 0.664 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.9 | -41.3 | 172.6 | -175 | 179.8 | 13 | 0 | 0 | 110.6 | K353 V354 K361 | K353-Q357 WeakPolarHBondContact O-CB 3.22Å; K353-Q357 PolarHBondContact O-N 2.84Å; V354-Q357 PolarHBondContact O-N 3.45Å; Q357-K361 WeakPolarHBondContact O-CB 3.1Å; Q357-K361 PolarHBondContact O-N 2.83Å; Q357-K361 VanDerWaalsContact O-N 3.1Å |
| 358 | R | 83 | Confident | 71 | Confident | 186 Ų | 186 | 126.2 Ų | 126.2 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.8 | -46 | 176.1 | -171.9 | 175.5 | 177.3 | -176.7 | -1.5 | 111.9 | V354 L355 K361 E362 | V354-R358 WeakPolarHBondContact O-CB 3.34Å; V354-R358 PolarHBondContact O-N 3.4Å; L355-R358 PolarHBondContact O-N 2.96Å; R358-K361 WeakPolarHBondContact O-CA 3.24Å; R358-K361 WeakPolarHBondContact O-CB 3.27Å; R358-K361 PolarHBondContact O-N 2.78Å; R358-E362 PolarHBondContact O-N 2.7Å |
| 359 | S | 75.6 | Confident | 68.4 | Low | 75 Ų | 75 | 128.7 Ų | 128.7 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67 | -37.7 | 177.4 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | L355 Q356 K361 E362 | L355-S359 PolarHBondContact O-N 3.49Å; L355-S359 PolarHBondContact O-OG 2.81Å; Q356-S359 PolarHBondContact O-OG 3.39Å; S359-K361 PolarHBondContact O-N 2.9Å; S359-E362 PolarHBondContact O-N 3.49Å |
| 360 | R | 73.3 | Confident | 65.6 | Low | 207 Ų | 207 | 130.9 Ų | 130.9 | 78% | 0.781 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -11.7 | 170.5 | -71.2 | -178.8 | -178.2 | -79.3 | 2.9 | 114 | Q356 | Q356-R360 VanDerWaalsContact O-CB 3.29Å; Q356-R360 WeakPolarHBondContact O-CB 3.38Å; Q356-R360 VanDerWaalsContact O-CG 3.26Å; Q356-R360 WeakPolarHBondContact O-CG 3.36Å; Q356-R360 PolarHBondContact O-N 2.99Å |
| 361 | K | 55.1 | Low | 62.7 | Low | 173 Ų | 173 | 134.5 Ų | 134.5 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -14 | 174.1 | -158.4 | 65.8 | 174.8 | 178.9 | 0 | 113 | Q357 R358 S359 | Q357-K361 WeakPolarHBondContact O-CB 3.1Å; Q357-K361 PolarHBondContact O-N 2.83Å; Q357-K361 VanDerWaalsContact O-N 3.1Å; R358-K361 WeakPolarHBondContact O-CA 3.24Å; R358-K361 WeakPolarHBondContact O-CB 3.27Å; R358-K361 PolarHBondContact O-N 2.78Å; S359-K361 PolarHBondContact O-N 2.9Å |
| 362 | E | 38.1 | Very low | 59.8 | Low | 164 Ų | 164 | 137.9 Ų | 137.9 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | trans | -102.7 | 59 | 175.6 | -165.8 | 178.1 | -111.6 | 0 | 0 | 112.3 | R358 S359 | R358-E362 PolarHBondContact O-N 2.7Å; S359-E362 PolarHBondContact O-N 3.49Å | ||
| 363 | P | 46 | Very low | 57.4 | Low | 103 Ų | 103 | 144.5 Ų | 144.5 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | trans | -141.8 | 93.1 | 140.9 | 33.6 | -17.6 | 0 | 0 | 0 | 111.2 | ||||
| 364 | S | 38.2 | Very low | 54.7 | Low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -158.5 | -7.1 | 171.7 | 53.2 | 0 | 0 | 0 | 0 | 117.1 | ||
| 365 | K | 38 | Very low | 51.8 | Low | 189 Ų | 189 | 145.4 Ų | 145.4 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -141.8 | 124.1 | 173.6 | -70.4 | -167.8 | 176.6 | -176.7 | 0 | 113.4 | ||
| 366 | T | 32.2 | Very low | 49.6 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | 73.6 | 136.9 | 164.2 | -42.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 367 | E | 34.9 | Very low | 47.2 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -109.4 | 172 | -174 | -169.5 | -179.4 | -179 | 0 | 0 | 110.5 | ||||
| 368 | Q | 34.6 | Very low | 45.2 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 88.7 | 142.4 | 167.1 | -50.6 | -172.6 | -4.7 | 0 | 0 | 118.3 | ||||
| 369 | L | 42 | Very low | 42.6 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 81.8 | 108.2 | 170.5 | -51.1 | -173.8 | 0 | 0 | 0 | 119.5 | ||||
| 370 | S | 38.3 | Very low | 40.6 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | 63 | 102.4 | 148.3 | 55.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 371 | S | 37 | Very low | 38.9 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | -156.3 | 158.5 | 96.5 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 372 | M | 34.8 | Very low | 37.8 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -115.8 | 148.9 | -172.8 | -71.3 | -134.3 | 78.8 | 0 | 0 | 114.1 | ||||
| 373 | R | 44.9 | Very low | 37.5 | Very low | 218 Ų | 218 | 146.5 Ų | 146.5 | 82% | 0.823 | 81% | 0.812 | S | S | * | * | trans | 22.5 | 127 | 162.6 | -68.8 | -172.2 | -176.2 | 171.2 | 2.7 | 119.3 | A375 | R373-A375 PolarHBondContact O-N 3.21Š| ||
| 374 | P | 37.2 | Very low | 36.9 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | trans | -59.8 | 128.9 | 157.1 | -18.2 | 31.6 | 0 | 0 | 0 | 111.4 | ||||
| 375 | A | 33.9 | Very low | 36.6 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -97.5 | 143.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R373 | R373-A375 PolarHBondContact O-N 3.21Š| ||
| 376 | K | 47.5 | Very low | 36.5 | Very low | 214 Ų | 214 | 142.1 Ų | 142.1 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -104.2 | 134.9 | 164 | -64.6 | 175.2 | 179 | 177.3 | 0 | 107.9 | ||||
| 377 | S | 39 | Very low | 36.5 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -144.4 | 142.6 | 169.8 | 54 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 378 | L | 44.8 | Very low | 36.4 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -134.4 | 165 | 173.3 | -80.8 | 173.8 | 0 | 0 | 0 | 108.9 | ||||
| 379 | M | 28.9 | Very low | 36.4 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | 75.8 | 116.4 | 164.2 | -74.8 | 167.8 | 51.9 | 0 | 0 | 120.4 | ||||
| 380 | S | 33.5 | Very low | 35.9 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | 63 | 158.1 | 130 | -54.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 381 | I | 37.8 | Very low | 35.4 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | cis | -136.2 | -175.4 | 8.9 | 0 | 174.1 | 0 | 0 | 0 | 108.2 | ||||
| 382 | S | 32.5 | Very low | 35.3 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 81% | 0.812 | S | S | * | * | cis | -156.3 | 139.3 | 9.3 | -125.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 383 | N | 30.9 | Very low | 35.1 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | 89.7 | 137.6 | 81.9 | -169.9 | 42.4 | 0 | 0 | 0 | 116.1 | |||||
| 384 | A | 34.6 | Very low | 34.5 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | 64.2 | 101.5 | 168 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 385 | G | 31.3 | Very low | 34.3 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | -178.3 | 110.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 386 | S | 36.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | trans | -110.2 | 136.2 | -175.2 | -174 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 387 | G | 32.8 | Very low | 33.4 | Very low | 63 Ų | 63 | 125 Ų | 125 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 164.1 | 98.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 388 | L | 31.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 47.2 | 127.8 | 134.3 | -62.2 | 171.5 | 0 | 0 | 0 | 122.2 | ||||
| 389 | L | 34.4 | Very low | 32.9 | Very low | 136 Ų | 136 | 122 Ų | 122 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | 58.1 | 111.6 | 137.1 | -53.8 | 176.2 | 0 | 0 | 0 | 118.4 | ||||
| 390 | A | 31.6 | Very low | 33.2 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | 70.6 | 93.9 | 68.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 391 | H | 28.2 | Very low | 33.1 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -134.6 | 137.6 | 168.7 | -75.3 | -70.6 | 0 | 0 | 0 | 112.1 | ||||
| 392 | S | 34 | Very low | 32.8 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -85 | 178.5 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 393 | S | 30.7 | Very low | 32.6 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -59.9 | 166.8 | -170.8 | -48.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 394 | T | 33.4 | Very low | 32.5 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 96.4 | 130.7 | 136.7 | 26.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 395 | L | 33.7 | Very low | 32.3 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | 80 | 100.8 | 140.7 | -74.1 | 161.7 | 0 | 0 | 0 | 122.2 | ||||
| 396 | T | 31.6 | Very low | 32.3 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | 50.7 | 136.1 | 125.4 | 54.2 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 397 | G | 29.2 | Very low | 32 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | 157.5 | 136.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 398 | A | 34.5 | Very low | 32.4 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -129.9 | 162.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 399 | P | 38.8 | Very low | 32.6 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -136 | 172.7 | 141.8 | 34.9 | -20.2 | 0 | 0 | 0 | 114.1 | ||||
| 400 | I | 36 | Very low | 32.7 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -138.1 | 147.7 | -171.8 | -69.8 | 169.5 | 0 | 0 | 0 | 109.7 | ||||
| 401 | M | 31.1 | Very low | 33.1 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | 168.4 | 157.1 | 150.4 | -94.5 | 174.3 | 80.9 | 0 | 0 | 109.3 | ||||
| 402 | E | 31 | Very low | 33.4 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -169.2 | 135.6 | -14.8 | 171.4 | 179.2 | -150.5 | 0 | 0 | 110.2 | ||||
| 403 | E | 29 | Very low | 33.5 | Very low | 151 Ų | 151 | 137 Ų | 137 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 180 | 112.7 | 133.3 | -110.5 | -148 | 127.8 | 0 | 0 | 114.1 | ||||
| 404 | K | 28.2 | Very low | 34 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | 45.1 | 111.8 | 117.1 | -169.8 | -169.1 | -161.6 | 169.7 | 0 | 121.6 | |||||
| 405 | R | 30.9 | Very low | 34.1 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | -179.7 | 149 | 97.2 | -131.8 | -169.4 | -85.6 | -137.1 | -3.6 | 117 | |||||
| 406 | D | 31.7 | Very low | 34.2 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | trans | 53.4 | 98 | 151.5 | -59.2 | -18.3 | 0 | 0 | 0 | 124.1 | ||||
| 407 | D | 30.1 | Very low | 34.3 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | 40.6 | 122 | 126.6 | -83.7 | -90.5 | 0 | 0 | 0 | 124 | |||||
| 408 | K | 41.2 | Very low | 34.7 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | -169.5 | 112 | 107.6 | -85.2 | 140.3 | -151.4 | 92.5 | 0 | 109.2 | |||||
| 409 | S | 34.5 | Very low | 34.4 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | 67.7 | 121.2 | 92.6 | 101.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 410 | W | 37.3 | Very low | 34 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | cis | -143.8 | 141.5 | 9 | -81.2 | 90.9 | 0 | 0 | 0 | 110.5 | ||||
| 411 | K | 39.3 | Very low | 33.7 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 78% | 0.778 | 73% | 0.726 | S | S | * | * | 51.9 | 136.8 | 103.6 | -169.4 | -179.6 | -73.2 | -168.3 | 0 | 116.1 | |||||
| 412 | G | 34.5 | Very low | 33.5 | Very low | 63 Ų | 63 | 136.1 Ų | 136.1 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | cis | -162.2 | 169.9 | 7.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 413 | S | 37.6 | Very low | 33.4 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | 81.2 | 130.2 | 51.3 | -158.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 414 | L | 41.7 | Very low | 33.4 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | cis | -132.7 | -178.8 | 10.2 | -93.5 | 114.7 | 0 | 0 | 0 | 110.5 | V416 | L414-V416 HydrophobicContact CD2-CB 4.3Å; L414-V416 HydrophobicContact CD2-CG1 4.49Å; L414-V416 HydrophobicContact CD2-CG2 4.5Å | ||
| 415 | G | 34.1 | Very low | 33.3 | Very low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | cis | -167.6 | 164.3 | 6.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 416 | V | 35.7 | Very low | 33.7 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | cis | 80.7 | 113.2 | 40.4 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | L414 | L414-V416 HydrophobicContact CD2-CB 4.3Å; L414-V416 HydrophobicContact CD2-CG1 4.49Å; L414-V416 HydrophobicContact CD2-CG2 4.5Å | ||
| 417 | L | 33.8 | Very low | 33.7 | Very low | 143 Ų | 143 | 133 Ų | 133 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | cis | -152.3 | 160.5 | 46.5 | -73.1 | 161.8 | 0 | 0 | 0 | 116 | ||||
| 418 | L | 38.7 | Very low | 34.3 | Very low | 159 Ų | 159 | 132 Ų | 132 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | 51.2 | 149.1 | 142.5 | -83.5 | 40 | 0 | 0 | 0 | 122.8 | ||||
| 419 | G | 28.3 | Very low | 33.7 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | cis | 143.9 | 121 | -12.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 420 | G | 29.9 | Very low | 33.7 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 74 | 166.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 421 | D | 28.7 | Very low | 34.2 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | cis | -165.5 | 143.1 | -19.3 | -117.7 | -12.2 | 0 | 0 | 0 | 112.9 | ||||
| 422 | Y | 28 | Very low | 33.7 | Very low | 213 Ų | 213 | 123.2 Ų | 123.2 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 56.6 | 180 | 164.9 | -53.5 | -61.7 | 0 | 0 | 0 | 121 | ||||
| 423 | R | 28.3 | Very low | 34.5 | Very low | 213 Ų | 213 | 126.4 Ų | 126.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -152 | 138.7 | -157.8 | 172.1 | -87.8 | -165.6 | -138.8 | -3.3 | 110.8 | ||||
| 424 | V | 28.5 | Very low | 34.5 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | trans | 168.8 | 139.6 | 151 | 147.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 425 | E | 27.2 | Very low | 35.2 | Very low | 147 Ų | 147 | 125 Ų | 125 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | -77.3 | 160 | 170.2 | -118.1 | -166 | 114.1 | 0 | 0 | 111.7 | ||||
| 426 | P | 39.7 | Very low | 35.7 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | -151.9 | 175.1 | 58.5 | 39.6 | -17.6 | 0 | 0 | 0 | 118.7 | |||||
| 427 | V | 31.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -79.4 | 151.6 | 171 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 428 | P | 42.7 | Very low | 35.5 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | -156.7 | 180 | 56.1 | 44 | -21.2 | 0 | 0 | 0 | 121.4 | |||||
| 429 | S | 28 | Very low | 35.6 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 114.4 | 135.1 | 146.3 | -61.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 430 | T | 34.2 | Very low | 35.7 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -109.2 | -179 | -178 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 431 | P | 48.9 | Very low | 35.6 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | -142.5 | 171.6 | 96.3 | 37.5 | -22.5 | 0 | 0 | 0 | 115.6 | |||||
| 432 | S | 28.9 | Very low | 35.6 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | -113.2 | 168.5 | 178.1 | 166.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 433 | P | 50.2 | Low | 35.5 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | -134.2 | -175.5 | 114.8 | 35.4 | -22.8 | 0 | 0 | 0 | 114 | |||||
| 434 | V | 37.4 | Very low | 35.7 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -124.1 | -156.3 | -148.6 | -150 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 435 | P | 56.6 | Low | 35.7 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | -108.8 | -164.6 | -122.6 | 41 | -23.2 | 0 | 0 | 0 | 115.2 | |||||
| 436 | P | 45.3 | Very low | 36.2 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | -146.5 | 149.1 | 96.8 | 38.4 | -22.7 | 0 | 0 | 0 | 118.3 | |||||
| 437 | S | 31.1 | Very low | 35.9 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | 57.9 | 140.7 | 142.8 | -56.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 438 | T | 33.4 | Very low | 35.8 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -87.6 | 170.5 | 165.2 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 439 | P | 40.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -146.8 | 158 | 98.5 | 39.6 | -24.6 | 0 | 0 | 0 | 117 | |||||
| 440 | L | 30.5 | Very low | 36.2 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 16.6 | 145.1 | 148.3 | -72.7 | 173 | 0 | 0 | 0 | 124.2 | ||||
| 441 | L | 27.3 | Very low | 36 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 90.2 | 126.2 | 141.5 | -81.3 | 168.9 | 0 | 0 | 0 | 122.5 | ||||
| 442 | S | 29 | Very low | 35.2 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | 67.8 | 168.4 | 149.1 | -138 | 0 | 0 | 0 | 0 | 120.2 | H444 | S442-H444 PolarHBondContact OG-NE2 3.12Š| ||
| 443 | A | 27.3 | Very low | 35.7 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -103.9 | -141.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 444 | H | 31.3 | Very low | 34.9 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 85.1 | 92.9 | 166.7 | -27.2 | -60.8 | 0 | 0 | 0 | 118.2 | S442 | S442-H444 PolarHBondContact OG-NE2 3.12Š| ||
| 445 | S | 28.1 | Very low | 34.6 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | 73.3 | 99.3 | 120.6 | -53.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 446 | K | 37.9 | Very low | 33.6 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | -179 | 147.3 | 125.6 | -103 | 161.2 | -173.8 | 173.3 | 0 | 109.2 | |||||
| 447 | T | 33.4 | Very low | 32.7 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | cis | -146 | 151.6 | 11.8 | -66.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 448 | G | 30 | Very low | 32.6 | Very low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | cis | 160 | -178.3 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 449 | S | 37.2 | Very low | 32.5 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | 73.9 | 135.9 | -179.5 | -163.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 450 | R | 41.4 | Very low | 32.4 | Very low | 216 Ų | 216 | 136.5 Ų | 136.5 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | cis | -168 | 98.5 | -26.7 | 179.9 | 170.1 | 176.3 | 170.1 | -3.5 | 108.7 | ||||
| 451 | D | 30.9 | Very low | 32.2 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 44 | 103.5 | 147.8 | -42.6 | -36.5 | 0 | 0 | 0 | 121.5 | ||||
| 452 | C | 31.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | 53.7 | 107.2 | 122.1 | -61.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 453 | S | 39.3 | Very low | 32.2 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | 52.1 | 122.8 | 112.2 | -165.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 454 | T | 33.6 | Very low | 32.1 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | -159.7 | 161.9 | 129.1 | -0.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 455 | Q | 31.6 | Very low | 31.7 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -113.7 | 127.5 | 178.5 | 161.8 | -161.8 | -1.3 | 0 | 0 | 108.6 | ||||
| 456 | T | 34.3 | Very low | 33 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 173.3 | 151.4 | 141.8 | 32.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 457 | E | 26.4 | Very low | 32.9 | Very low | 141 Ų | 141 | 131 Ų | 131 | 66% | 0.659 | 76% | 0.762 | S | S | * | * | trans | 14.8 | 139.7 | 148.2 | -82.9 | -169.2 | 88.3 | 0 | 0 | 125 | ||||
| 458 | R | 29.9 | Very low | 32.8 | Very low | 217 Ų | 217 | 128 Ų | 128 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | trans | 69 | 143.1 | 151.3 | -63 | 179.3 | -141.1 | 171.7 | 14.4 | 119.4 | ||||
| 459 | G | 31.2 | Very low | 32.9 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -87.5 | 179.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 460 | P | 37.9 | Very low | 33 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | -149.9 | 171.9 | 84.4 | 40.9 | -23.7 | 0 | 0 | 0 | 118.1 | |||||
| 461 | E | 26.8 | Very low | 32.4 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | 2.4 | 145.4 | 151.4 | -60.6 | 157.9 | -138.3 | 0 | 0 | 121.9 | ||||
| 462 | S | 30.7 | Very low | 32.4 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | -177.6 | 99.4 | 127.9 | 36.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 463 | T | 24 | Very low | 32.2 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | trans | -142 | 92.3 | 143.4 | -24.3 | 0 | 0 | 0 | 0 | 111.5 | A467 V468 | T463-A467 WeakPolarHBondContact O-CA 3.5Å; T463-A467 PolarHBondContact O-N 3.04Å; T463-V468 WeakPolarHBondContact O-CB 3.19Å; T463-V468 WeakPolarHBondContact O-CG2 3.43Å | ||
| 464 | K | 26.2 | Very low | 32.3 | Very low | 187 Ų | 187 | 126 Ų | 126 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -50.7 | 137.6 | 162.2 | -177.9 | 172.5 | 178.6 | -179.4 | 0 | 109.2 | ||||
| 465 | T | 22.9 | Very low | 31.9 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | S | Bend | -94.8 | -62.4 | 58.5 | -63.9 | 0 | 0 | 0 | 0 | 119.3 | A467 | T465-A467 VanDerWaalsContact N-N 3.17Š| |
| 466 | A | 55.9 | Low | 31.8 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | S | Bend | cis | 41.2 | 61.9 | 8.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 467 | A | 36.1 | Very low | 31.5 | Very low | 67 Ų | 67 | 121.8 Ų | 121.8 | 55% | 0.554 | 75% | 0.746 | S | S | * | * | cis | 60.7 | 54.7 | 34 | 0 | 0 | 0 | 0 | 0 | 111.6 | T463 T465 | T463-A467 WeakPolarHBondContact O-CA 3.5Å; T463-A467 PolarHBondContact O-N 3.04Å; T465-A467 VanDerWaalsContact N-N 3.17Å | ||
| 468 | V | 31.2 | Very low | 32.6 | Very low | 76 Ų | 76 | 120.7 Ų | 120.7 | 46% | 0.461 | 75% | 0.751 | S | S | . | * | 55.1 | 80.1 | 81 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | T463 | T463-V468 WeakPolarHBondContact O-CB 3.19Å; T463-V468 WeakPolarHBondContact O-CG2 3.43Å | |||
| 469 | T | 31.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | 46.9 | 162.1 | 120.6 | 63 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 470 | P | 39.9 | Very low | 32.3 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | cis | -131.2 | 165.4 | -8.1 | 20.4 | 3.3 | 0 | 0 | 0 | 115.4 | ||||
| 471 | I | 27.4 | Very low | 31.8 | Very low | 163 Ų | 163 | 116.9 Ų | 116.9 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | -128.7 | 130.9 | 146.5 | -62.4 | 175 | 0 | 0 | 0 | 106.7 | ||||
| 472 | S | 31.3 | Very low | 31.9 | Very low | 116 Ų | 116 | 114.2 Ų | 114.2 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | 151.9 | 134.9 | 137.7 | -71.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 473 | A | 28.5 | Very low | 31.8 | Very low | 97 Ų | 97 | 113.3 Ų | 113.3 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -162.3 | 159.3 | 142.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 474 | P | 41 | Very low | 32.7 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | -128.6 | 168.4 | -11 | 40.1 | -26.4 | 0 | 0 | 0 | 113.9 | ||||
| 475 | M | 25.5 | Very low | 32.7 | Very low | 188 Ų | 188 | 110.1 Ų | 110.1 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -161.5 | 144.8 | 142.6 | -159 | 162.4 | 179.4 | 0 | 0 | 113.1 | ||||
| 476 | A | 28.6 | Very low | 33 | Very low | 99 Ų | 99 | 109.3 Ų | 109.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 67.2 | 151.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 477 | G | 28.3 | Very low | 31.6 | Very low | 72 Ų | 72 | 109.2 Ų | 109.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -110.6 | -128.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 478 | P | 49.1 | Very low | 31.4 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -140.1 | -162.1 | 0.5 | 31.8 | -6.2 | 0 | 0 | 0 | 114.3 | ||||
| 479 | V | 27.8 | Very low | 31.3 | Very low | 141 Ų | 141 | 115 Ų | 115 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | 71 | 127.1 | 163.5 | -173.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 480 | A | 28.1 | Very low | 31.2 | Very low | 93 Ų | 93 | 113.2 Ų | 113.2 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | cis | -158.6 | -141.8 | -14.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 481 | A | 28 | Very low | 30.5 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | cis | -164.1 | 174.3 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 482 | A | 29 | Very low | 30.6 | Very low | 110 Ų | 110 | 111.6 Ų | 111.6 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | 68.4 | 149.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 483 | A | 27.2 | Very low | 30.4 | Very low | 94 Ų | 94 | 111 Ų | 111 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -120.3 | -171 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 484 | P | 43 | Very low | 30.5 | Very low | 124 Ų | 124 | 112.8 Ų | 112.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | cis | -146.7 | -164.5 | 17.7 | 44.1 | -22.4 | 0 | 0 | 0 | 117.2 | ||||
| 485 | A | 26.7 | Very low | 30.1 | Very low | 95 Ų | 95 | 114 Ų | 114 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 98.9 | 163.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 486 | A | 28.8 | Very low | 30.2 | Very low | 106 Ų | 106 | 112 Ų | 112 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | 72 | 143.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 487 | A | 27.2 | Very low | 30.3 | Very low | 85 Ų | 85 | 111.6 Ų | 111.6 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -165.7 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 488 | I | 31.8 | Very low | 30.2 | Very low | 152 Ų | 152 | 115.1 Ų | 115.1 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | 73.4 | 142.5 | 168.1 | -54 | 162.3 | 0 | 0 | 0 | 113 | ||||
| 489 | N | 28.4 | Very low | 29.3 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 59% | 0.594 | 80% | 0.798 | S | S | * | * | cis | -125.6 | 149.3 | -0 | -102.8 | -42.5 | 0 | 0 | 0 | 107.3 | ||||
| 490 | A | 29 | Very low | 29.3 | Very low | 80 Ų | 80 | 110.9 Ų | 110.9 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | 69.4 | 119.3 | 58.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 491 | T | 25.9 | Very low | 29.6 | Very low | 149 Ų | 149 | 112.4 Ų | 112.4 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -128.9 | 126.3 | 161 | -50 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 492 | A | 30.5 | Very low | 29.7 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -119.8 | 146.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 493 | A | 27 | Very low | 29.7 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -121.2 | 116.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 494 | T | 30.2 | Very low | 29.9 | Very low | 136 Ų | 136 | 118.1 Ų | 118.1 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -141.5 | 138.3 | 172.7 | -46.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 495 | N | 32.3 | Very low | 29.3 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -66.1 | 160.5 | -173.7 | -46 | -42.6 | 0 | 0 | 0 | 113.5 | ||||
| 496 | T | 28.4 | Very low | 29.5 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | -164.9 | 153.8 | 124.8 | -74.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 497 | A | 29.6 | Very low | 29.6 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -97.7 | 171.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 498 | T | 27.4 | Very low | 29.7 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -132.6 | 148 | 171.2 | -40.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 499 | A | 28.6 | Very low | 29.6 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -81.6 | -176.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 500 | A | 29.2 | Very low | 29.5 | Very low | 80 Ų | 80 | 119.6 Ų | 119.6 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | cis | -164.9 | -164.5 | 24 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 501 | T | 32.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | 66.2 | 122.9 | 158.3 | 50.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 502 | N | 30.4 | Very low | 30.2 | Very low | 169 Ų | 169 | 121.6 Ų | 121.6 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | -163 | 170.2 | 111.9 | -109.1 | -40 | 0 | 0 | 0 | 113.2 | |||||
| 503 | T | 28.5 | Very low | 30.1 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -122.1 | 143.8 | -162.4 | -63.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 504 | T | 32.1 | Very low | 30.1 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -12.6 | 138.5 | 159.1 | -48.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 505 | I | 30.8 | Very low | 29.8 | Very low | 146 Ų | 146 | 121.4 Ų | 121.4 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | -174.7 | 124.3 | 127.5 | -100.9 | 162.9 | 0 | 0 | 0 | 114.2 | |||||
| 506 | M | 31.4 | Very low | 29.5 | Very low | 162 Ų | 162 | 118.3 Ų | 118.3 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | 56.1 | 152 | 146.5 | -59.1 | 177.8 | 69 | 0 | 0 | 120.9 | ||||
| 507 | V | 30.2 | Very low | 29.3 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | cis | -161.8 | 165.6 | 8.8 | 97.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 508 | A | 29.5 | Very low | 29 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | 67.8 | 152.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 509 | A | 29.1 | Very low | 28.9 | Very low | 88 Ų | 88 | 115.7 Ų | 115.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -169.8 | 147 | -25 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 510 | A | 26 | Very low | 29.5 | Very low | 99 Ų | 99 | 117 Ų | 117 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 64.9 | 169.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 511 | P | 42.7 | Very low | 29.3 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | cis | -122.5 | -163.6 | 0.6 | 43.2 | -28.2 | 0 | 0 | 0 | 115.3 | ||||
| 512 | V | 27.6 | Very low | 29 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | -102.3 | 157.9 | -165.8 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 513 | A | 27.7 | Very low | 28.8 | Very low | 88 Ų | 88 | 113.1 Ų | 113.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -88.2 | 175 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 514 | V | 27.5 | Very low | 28.6 | Very low | 146 Ų | 146 | 112.3 Ų | 112.3 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | 168 | 151.3 | 129.4 | 151.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 515 | A | 23.8 | Very low | 28.3 | Very low | 94 Ų | 94 | 111.4 Ų | 111.4 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 101.1 | 144.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 516 | A | 25.5 | Very low | 28.2 | Very low | 86 Ų | 86 | 110.9 Ų | 110.9 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | -168.8 | 145.3 | -22.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 517 | V | 24.4 | Very low | 28.7 | Very low | 142 Ų | 142 | 108.9 Ų | 108.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 70.7 | 133.1 | 141.3 | 169.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 518 | A | 23.9 | Very low | 28.7 | Very low | 93 Ų | 93 | 108.1 Ų | 108.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 75.7 | 131.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 519 | A | 24.3 | Very low | 29.2 | Very low | 92 Ų | 92 | 109.4 Ų | 109.4 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -106.5 | 176.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 520 | P | 41.4 | Very low | 29.2 | Very low | 119 Ų | 119 | 109 Ų | 109 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -157.4 | 171.8 | 80.1 | 42.3 | -22.5 | 0 | 0 | 0 | 118.5 | |||||
| 521 | A | 25.9 | Very low | 29.6 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 57.2 | 121.3 | 141.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 522 | A | 26.4 | Very low | 29 | Very low | 103 Ų | 103 | 110.4 Ų | 110.4 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | 154.5 | 162.3 | 124 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 523 | A | 25.7 | Very low | 29 | Very low | 93 Ų | 93 | 108.4 Ų | 108.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | -170.7 | 125.5 | -50.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 524 | A | 25.3 | Very low | 29.1 | Very low | 108 Ų | 108 | 108.4 Ų | 108.4 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | 65.1 | 170.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 525 | A | 25.6 | Very low | 29.2 | Very low | 102 Ų | 102 | 109.2 Ų | 109.2 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 86.5 | 108.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 526 | T | 29 | Very low | 29.4 | Very low | 135 Ų | 135 | 108.9 Ų | 108.9 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -76.8 | 176.5 | 144.8 | 47 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 527 | P | 41.2 | Very low | 29.7 | Very low | 121 Ų | 121 | 109.4 Ų | 109.4 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -145.4 | -160.8 | 24.8 | 44.7 | -22.4 | 0 | 0 | 0 | 116.9 | ||||
| 528 | S | 29.3 | Very low | 29.9 | Very low | 102 Ų | 102 | 107.2 Ų | 107.2 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -82.3 | 149.5 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 529 | P | 41.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 107.6 Ų | 107.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | -132.6 | 159.4 | 108.6 | 14.5 | 7.2 | 0 | 0 | 0 | 112.1 | |||||
| 530 | A | 29.4 | Very low | 30.6 | Very low | 80 Ų | 80 | 107.5 Ų | 107.5 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | cis | 96.7 | 144.4 | 30.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 531 | N | 32.7 | Very low | 30.9 | Very low | 166 Ų | 166 | 107.8 Ų | 107.8 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | 75.3 | 155.4 | 171.9 | -65.2 | -3.6 | 0 | 0 | 0 | 119.6 | ||||
| 532 | A | 30.4 | Very low | 31.1 | Very low | 90 Ų | 90 | 106.9 Ų | 106.9 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | cis | -176.2 | 151.6 | -29 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 533 | A | 28.7 | Very low | 31.4 | Very low | 102 Ų | 102 | 108.3 Ų | 108.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 160.6 | 154.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 534 | A | 29.6 | Very low | 31.6 | Very low | 88 Ų | 88 | 108.5 Ų | 108.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -162.5 | 154.6 | -32.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 535 | L | 28.6 | Very low | 31.8 | Very low | 162 Ų | 162 | 109.5 Ų | 109.5 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | -164 | 153.2 | 63.6 | -140.7 | 83.5 | 0 | 0 | 0 | 110.8 | |||||
| 536 | A | 29.4 | Very low | 32 | Very low | 88 Ų | 88 | 110 Ų | 110 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 22.8 | 150.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 537 | A | 30.1 | Very low | 31.9 | Very low | 97 Ų | 97 | 108 Ų | 108 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | cis | 175.1 | 157.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 538 | A | 28.8 | Very low | 31.3 | Very low | 95 Ų | 95 | 106.2 Ų | 106.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -158.2 | -179.5 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 539 | A | 29.8 | Very low | 31.2 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 66.4 | 74.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 540 | A | 34 | Very low | 30.6 | Very low | 91 Ų | 91 | 106.9 Ų | 106.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -44.7 | -177.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 541 | P | 48.6 | Very low | 30.4 | Very low | 124 Ų | 124 | 109.1 Ų | 109.1 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | cis | -136.7 | -178 | -30.2 | 32.4 | -13.1 | 0 | 0 | 0 | 114 | ||||
| 542 | A | 29.5 | Very low | 30.4 | Very low | 79 Ų | 79 | 106.5 Ų | 106.5 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | 156.2 | 143 | 115.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 543 | T | 31.7 | Very low | 30.3 | Very low | 134 Ų | 134 | 107 Ų | 107 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 59.5 | 151.2 | 156.6 | 47.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 544 | S | 30.9 | Very low | 30.3 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | -170.4 | 150.5 | -18.6 | 49.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 545 | V | 30.2 | Very low | 30.4 | Very low | 130 Ų | 130 | 109.1 Ų | 109.1 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | 52.1 | 109.2 | 149.7 | -179.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 546 | S | 29.2 | Very low | 30.5 | Very low | 111 Ų | 111 | 105.5 Ų | 105.5 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 35 | 138.3 | 132.3 | -50.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 547 | A | 27.1 | Very low | 30.6 | Very low | 93 Ų | 93 | 108.7 Ų | 108.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 86.1 | 99 | 134.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 548 | A | 27.3 | Very low | 30.8 | Very low | 84 Ų | 84 | 109.4 Ų | 109.4 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | 79.6 | 149.3 | 116.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 549 | T | 27.4 | Very low | 31.9 | Very low | 137 Ų | 137 | 110.4 Ų | 110.4 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | 64.5 | 144.5 | 161 | 46.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 550 | S | 29.2 | Very low | 31.9 | Very low | 97 Ų | 97 | 110.5 Ų | 110.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -172.4 | 154.3 | -12.4 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 551 | V | 26.2 | Very low | 31.9 | Very low | 126 Ų | 126 | 110.6 Ų | 110.6 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | 68.2 | 114.9 | 139.3 | 167 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 552 | S | 31.2 | Very low | 32.3 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | 44.8 | 125.5 | 135.6 | -50.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 553 | A | 28.8 | Very low | 32.5 | Very low | 101 Ų | 101 | 113.3 Ų | 113.3 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | -169.7 | 164.2 | 108.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 554 | A | 28.6 | Very low | 32.8 | Very low | 77 Ų | 77 | 111 Ų | 111 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | 177.6 | 161.7 | -36 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 555 | N | 32.2 | Very low | 34 | Very low | 156 Ų | 156 | 112.4 Ų | 112.4 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | 66.4 | 155.3 | 164.2 | -64 | -11.3 | 0 | 0 | 0 | 118.4 | ||||
| 556 | S | 30.5 | Very low | 34 | Very low | 87 Ų | 87 | 110.6 Ų | 110.6 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | cis | -173.1 | -176.3 | -30 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 557 | I | 31.1 | Very low | 34 | Very low | 154 Ų | 154 | 109.9 Ų | 109.9 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 77.8 | 102.4 | 157.7 | -61 | 155.4 | 0 | 0 | 0 | 117.6 | ||||
| 558 | S | 33.7 | Very low | 34.2 | Very low | 113 Ų | 113 | 111.9 Ų | 111.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -80.8 | 165.4 | 143.3 | -35.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 559 | P | 53.8 | Low | 34.8 | Very low | 116 Ų | 116 | 114 Ų | 114 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | -160.9 | 178.6 | 89.3 | 42.5 | -22.8 | 0 | 0 | 0 | 118.5 | |||||
| 560 | A | 29.5 | Very low | 36.5 | Very low | 103 Ų | 103 | 112.7 Ų | 112.7 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | 82.6 | 156.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 561 | A | 32.4 | Very low | 38.1 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -126 | -151.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 562 | P | 57.8 | Low | 38.2 | Very low | 117 Ų | 117 | 111.8 Ų | 111.8 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -137.4 | -174.5 | 3 | 43.8 | -25 | 0 | 0 | 0 | 115.7 | ||||
| 563 | V | 34.3 | Very low | 38.2 | Very low | 143 Ų | 143 | 111 Ų | 111 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | 168.9 | 154.3 | 134 | 154.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 564 | A | 37 | Very low | 39.3 | Very low | 85 Ų | 85 | 111.5 Ų | 111.5 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -140.2 | -167.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 565 | P | 56.3 | Low | 39.5 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | cis | -141.9 | 164.5 | -1.8 | 42.3 | -24.3 | 0 | 0 | 0 | 118.2 | ||||
| 566 | A | 29.9 | Very low | 39.7 | Very low | 93 Ų | 93 | 111.8 Ų | 111.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -177.4 | 117.6 | 144 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 567 | A | 30.3 | Very low | 41 | Very low | 96 Ų | 96 | 114 Ų | 114 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | 73.3 | 127.2 | 54.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 568 | V | 31.2 | Very low | 41 | Very low | 135 Ų | 135 | 111.6 Ų | 111.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -155.1 | 161.8 | -5.5 | 135.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 569 | V | 39.9 | Very low | 40.9 | Very low | 129 Ų | 129 | 111 Ų | 111 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -150.9 | 155.5 | 180 | 179 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 570 | P | 63.4 | Low | 39.8 | Very low | 109 Ų | 109 | 109.6 Ų | 109.6 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | cis | -113.3 | -118.5 | -23.1 | 30.3 | -6.7 | 0 | 0 | 0 | 109.9 | ||||
| 571 | P | 62.9 | Low | 39.8 | Very low | 111 Ų | 111 | 110.7 Ų | 110.7 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | -134.8 | 177.5 | -40.7 | 35.9 | -15.9 | 0 | 0 | 0 | 117.8 | ||||
| 572 | A | 28.2 | Very low | 39.6 | Very low | 93 Ų | 93 | 114.8 Ų | 114.8 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 67.6 | 126.6 | 143.1 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 573 | A | 31.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 116.7 Ų | 116.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | 48 | 166.5 | 128.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 574 | P | 50.3 | Low | 39.3 | Very low | 111 Ų | 111 | 115.6 Ų | 115.6 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | cis | -139.1 | -173.8 | -37.5 | 35.4 | -13.7 | 0 | 0 | 0 | 116.1 | ||||
| 575 | V | 33.7 | Very low | 38.8 | Very low | 127 Ų | 127 | 115.9 Ų | 115.9 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 64.6 | 127.1 | 156 | -67.9 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 576 | S | 35.7 | Very low | 37.5 | Very low | 113 Ų | 113 | 114.9 Ų | 114.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 70.6 | 165.7 | 135.3 | -67.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 577 | P | 57.4 | Low | 37.5 | Very low | 134 Ų | 134 | 114.3 Ų | 114.3 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | cis | -124.4 | -152 | 8.2 | 43.7 | -26.9 | 0 | 0 | 0 | 115.5 | ||||
| 578 | A | 32.4 | Very low | 37.4 | Very low | 102 Ų | 102 | 115 Ų | 115 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -138.5 | 161.9 | -156.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 579 | A | 31.6 | Very low | 37.3 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -168.1 | 148.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 580 | A | 29.3 | Very low | 37.3 | Very low | 86 Ų | 86 | 116.3 Ų | 116.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | -163.8 | 158.8 | -16.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 581 | V | 30.4 | Very low | 36.3 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | 48 | 133.3 | 132.7 | 170.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 582 | Q | 28.8 | Very low | 34.7 | Very low | 179 Ų | 179 | 115.4 Ų | 115.4 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | cis | -164.5 | 178.2 | -3.1 | -116.4 | 172.2 | -7.8 | 0 | 0 | 111.9 | ||||
| 583 | I | 33.6 | Very low | 34.6 | Very low | 157 Ų | 157 | 117.1 Ų | 117.1 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -100.8 | 145.4 | 175.3 | -62.2 | 155.4 | 0 | 0 | 0 | 108.1 | ||||
| 584 | P | 50.7 | Low | 34.7 | Very low | 120 Ų | 120 | 119 Ų | 119 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -163.5 | -174.6 | 92.9 | 44.3 | -21.7 | 0 | 0 | 0 | 120 | |||||
| 585 | A | 28 | Very low | 33.9 | Very low | 91 Ų | 91 | 118.5 Ų | 118.5 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 80.5 | 117.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 586 | A | 28 | Very low | 34.8 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | 79.2 | 149.6 | 78.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 587 | A | 30 | Very low | 34.5 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | -137.3 | 155.2 | 2.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 588 | S | 27.8 | Very low | 33.2 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 51.5 | 138 | 62.1 | 69 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 589 | L | 31 | Very low | 33.2 | Very low | 164 Ų | 164 | 117.2 Ų | 117.2 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 82.9 | 117.4 | 166.9 | -54.1 | -179.2 | 0 | 0 | 0 | 121.1 | ||||
| 590 | T | 38.8 | Very low | 33.2 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -55.7 | 162.5 | 146 | 37.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 591 | P | 43.3 | Very low | 33.3 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | -156.4 | 170.2 | 54.2 | 43.6 | -21.6 | 0 | 0 | 0 | 120.9 | |||||
| 592 | A | 28.2 | Very low | 33.3 | Very low | 83 Ų | 83 | 119 Ų | 119 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | 34 | 151.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 593 | T | 27.3 | Very low | 33.4 | Very low | 130 Ų | 130 | 115.1 Ų | 115.1 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 72.4 | 149.9 | 157 | 12.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 594 | V | 31.9 | Very low | 33.2 | Very low | 133 Ų | 133 | 112.1 Ų | 112.1 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | cis | -138.3 | 158.3 | 5 | -160.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 595 | S | 34.9 | Very low | 32.2 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -67.9 | 170.9 | 165 | -44.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 596 | P | 51.9 | Low | 32.2 | Very low | 120 Ų | 120 | 112.5 Ų | 112.5 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | -147.6 | 133.5 | 101.9 | 35.5 | -18.5 | 0 | 0 | 0 | 117.8 | |||||
| 597 | T | 28.5 | Very low | 32.3 | Very low | 140 Ų | 140 | 112.4 Ų | 112.4 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | 35.6 | 114 | 128.8 | -31.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 598 | A | 31.8 | Very low | 32.3 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -161.1 | 118.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 599 | A | 31.1 | Very low | 32.5 | Very low | 98 Ų | 98 | 114.2 Ų | 114.2 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | 53.3 | 123.8 | 96.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 600 | T | 32.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 113 Ų | 113 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | cis | -139.1 | 143.2 | 14.9 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 601 | A | 32 | Very low | 32.2 | Very low | 82 Ų | 82 | 111.2 Ų | 111.2 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | 52.6 | 136.2 | 75 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 602 | T | 28.8 | Very low | 31.6 | Very low | 139 Ų | 139 | 110.6 Ų | 110.6 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | cis | -176.2 | 131.3 | -16.6 | 28.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 603 | A | 31.3 | Very low | 31.8 | Very low | 97 Ų | 97 | 114.2 Ų | 114.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -178.7 | 135.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 604 | A | 29.5 | Very low | 32 | Very low | 94 Ų | 94 | 114.9 Ų | 114.9 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | cis | 70 | 134.3 | 33.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 605 | V | 30.2 | Very low | 32 | Very low | 130 Ų | 130 | 113.3 Ų | 113.3 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | cis | -143.6 | 127 | 16.3 | 173.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 606 | A | 28.1 | Very low | 31.7 | Very low | 89 Ų | 89 | 112.9 Ų | 112.9 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | 53.7 | 145.1 | 97.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 607 | A | 28.5 | Very low | 30.7 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | 60.8 | 122.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 608 | A | 31.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 109.7 Ų | 109.7 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | -174.4 | 142 | 105.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 609 | T | 30.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 110 Ų | 110 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -70.7 | 156.8 | 156 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 610 | T | 32 | Very low | 30.8 | Very low | 139 Ų | 139 | 109.8 Ų | 109.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 178.6 | 149.7 | 114.3 | -67.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 611 | A | 32.8 | Very low | 30.8 | Very low | 91 Ų | 91 | 110.9 Ų | 110.9 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -88 | 153.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 612 | A | 30.5 | Very low | 30.9 | Very low | 104 Ų | 104 | 113 Ų | 113 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -134.1 | 124.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 613 | I | 31.6 | Very low | 30.9 | Very low | 159 Ų | 159 | 111.2 Ų | 111.2 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | -110.9 | 133.7 | 172.5 | -61.7 | 169.7 | 0 | 0 | 0 | 107.1 | ||||
| 614 | T | 31.7 | Very low | 31.1 | Very low | 144 Ų | 144 | 113.6 Ų | 113.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -134.6 | 134.3 | 165.2 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 615 | A | 31.6 | Very low | 31.1 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -132.4 | 151.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 616 | A | 28.9 | Very low | 31.1 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -144.2 | 131.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 617 | A | 30.6 | Very low | 31.2 | Very low | 99 Ų | 99 | 117.6 Ų | 117.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | cis | 74 | 129.4 | 43.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 618 | A | 31.1 | Very low | 31.8 | Very low | 93 Ų | 93 | 119 Ų | 119 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -164.6 | 172.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 619 | A | 31.7 | Very low | 31.6 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | 60.7 | 132.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 620 | A | 30.9 | Very low | 31.6 | Very low | 95 Ų | 95 | 119 Ų | 119 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | cis | 92.9 | 112.9 | 25.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 621 | T | 32.7 | Very low | 31.7 | Very low | 151 Ų | 151 | 118.2 Ų | 118.2 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | -154.2 | 151.3 | 156.6 | 14.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 622 | T | 33.6 | Very low | 31.7 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -117.5 | 145.6 | -170 | -47.4 | 0 | 0 | 0 | 0 | 111.2 | I624 | T622-I624 HydrophobicContact CG2-CG1 4.42Š| ||
| 623 | A | 30.4 | Very low | 32.3 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -141.8 | 138.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 624 | I | 34 | Very low | 32.8 | Very low | 146 Ų | 146 | 118.1 Ų | 118.1 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -135.4 | 129.3 | -179.5 | -63.2 | 169.8 | 0 | 0 | 0 | 108 | T622 | T622-I624 HydrophobicContact CG2-CG1 4.42Š| ||
| 625 | Q | 30.8 | Very low | 33.4 | Very low | 179 Ų | 179 | 117 Ų | 117 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -168.5 | 119.7 | 148.8 | -104.3 | 164.4 | 4.9 | 0 | 0 | 107.8 | ||||
| 626 | V | 30.7 | Very low | 33.4 | Very low | 132 Ų | 132 | 117.6 Ų | 117.6 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | 82.3 | 126 | 79.5 | 168.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 627 | A | 28.4 | Very low | 33.8 | Very low | 86 Ų | 86 | 119.3 Ų | 119.3 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -86.1 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 628 | P | 41.3 | Very low | 33.8 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | -132 | 171 | 105.1 | 38 | -30.9 | 0 | 0 | 0 | 113.8 | |||||
| 629 | A | 28.7 | Very low | 34 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -103.4 | 161.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 630 | T | 29.8 | Very low | 34.1 | Very low | 139 Ų | 139 | 124 Ų | 124 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -170.2 | 157.4 | 131.4 | 13 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 631 | S | 33.3 | Very low | 34.3 | Very low | 124 Ų | 124 | 125 Ų | 125 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | 76.2 | 132.8 | 163.5 | -58.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 632 | A | 33.8 | Very low | 34.2 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -120.3 | -165.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 633 | P | 42.5 | Very low | 34.5 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | cis | -134 | -173.2 | 6.5 | 42.8 | -24 | 0 | 0 | 0 | 115.9 | ||||
| 634 | V | 41.3 | Very low | 34.4 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -116.1 | 148.5 | 177 | -178.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 635 | P | 44.7 | Very low | 34.3 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -128.3 | 162.2 | 144 | 35.5 | -24.4 | 0 | 0 | 0 | 114.7 | ||||
| 636 | S | 32.4 | Very low | 34.2 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -66.4 | 162.9 | -162.6 | -53.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 637 | P | 38.2 | Very low | 34.2 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 84% | 0.844 | 83% | 0.825 | S | S | * | * | trans | -74.3 | 158 | 169.8 | 32.9 | -37.3 | 0 | 0 | 0 | 113.2 | ||||
| 638 | A | 30.2 | Very low | 34.2 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -114.4 | 153.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 639 | S | 35 | Very low | 33.9 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 160.8 | -167.4 | -60.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 640 | I | 32.8 | Very low | 34 | Very low | 163 Ų | 163 | 122.7 Ų | 122.7 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 134 | 178.3 | -59.1 | 157.2 | 0 | 0 | 0 | 111.9 | ||
| 641 | P | 35.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 140.5 | 163.4 | 34.1 | -31.1 | 0 | 0 | 0 | 112.4 | ||
| 642 | A | 32.1 | Very low | 34.3 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -90 | 161.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 643 | P | 38.2 | Very low | 34.9 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 150.5 | -172.9 | 31.9 | -36.1 | 0 | 0 | 0 | 113.4 | ||
| 644 | A | 29.9 | Very low | 34.2 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -111.4 | 126.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 645 | T | 30.2 | Very low | 33.7 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -93.1 | 132.9 | 170 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 646 | A | 30.2 | Very low | 32.8 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -82.8 | 144.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 647 | Q | 29.2 | Very low | 32.6 | Very low | 204 Ų | 204 | 125.6 Ų | 125.6 | 95% | 0.953 | 83% | 0.83 | S | S | * | * | trans | -135.5 | 164 | 167.3 | -130.7 | -177.5 | 6.3 | 0 | 0 | 109.5 | ||||
| 648 | A | 28.9 | Very low | 32.3 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | -126.2 | 164.3 | -158.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 649 | S | 35.3 | Very low | 33 | Very low | 130 Ų | 130 | 127 Ų | 127 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | 79.3 | 141.7 | 162.6 | -57.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 650 | A | 30.8 | Very low | 32.8 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | trans | -125.1 | 157.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 651 | P | 40.3 | Very low | 33.6 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -99.6 | 162 | 179.5 | 38.3 | -34.5 | 0 | 0 | 0 | 114 | ||||
| 652 | T | 29.9 | Very low | 33.2 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -137.1 | 137.1 | 171.6 | -43.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 653 | P | 44.7 | Very low | 33.1 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 83% | 0.827 | S | S | * | * | trans | -112.8 | 165.4 | -170.8 | 40.3 | -34.1 | 0 | 0 | 0 | 115.4 | ||||
| 654 | T | 27.7 | Very low | 33.4 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | 167.6 | 158.8 | 119.5 | -67.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 655 | Q | 31.3 | Very low | 34.3 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 162.8 | -168.3 | -49.2 | 163.5 | 5.9 | 0 | 0 | 116.4 | ||||
| 656 | A | 25.3 | Very low | 34.4 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | 176.5 | 160.3 | 118.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 657 | S | 30.3 | Very low | 35.1 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -163.1 | 158.2 | 176.6 | -76.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 658 | T | 30.3 | Very low | 35.6 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 67.8 | 152.6 | 172.4 | 17.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 659 | P | 44.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | cis | -127.5 | -166.9 | 1.5 | 42.4 | -24.8 | 0 | 0 | 0 | 115.9 | ||||
| 660 | A | 30.8 | Very low | 35.9 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -94.5 | -176.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 661 | P | 49.3 | Very low | 37 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -145.9 | -158.7 | 18.3 | 43.9 | -21.4 | 0 | 0 | 0 | 117.2 | ||||
| 662 | T | 27.6 | Very low | 36.7 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 113 | 144.6 | 155 | -30.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 663 | E | 30.8 | Very low | 37.4 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -101.1 | -178.6 | 177.8 | -108.3 | -173.7 | 131.4 | 0 | 0 | 112 | ||||
| 664 | P | 44.6 | Very low | 37 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -122.7 | -130.1 | -19.9 | 32.9 | -9.8 | 0 | 0 | 0 | 108 | ||||
| 665 | P | 48.1 | Very low | 37.4 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | cis | -127 | -160 | -30.5 | 40.9 | -22.6 | 0 | 0 | 0 | 113.6 | ||||
| 666 | S | 32.6 | Very low | 37.6 | Very low | 113 Ų | 113 | 119.8 Ų | 119.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -121.6 | 160.7 | 178.4 | -43.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 667 | P | 44.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -104.8 | 159.9 | 158.9 | 36.7 | -29.6 | 0 | 0 | 0 | 113.5 | ||||
| 668 | V | 38.6 | Very low | 37.9 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | trans | -115.6 | 172.1 | -178.2 | -148.9 | 0 | 0 | 0 | 0 | 110 | T670 | V668-T670 HydrophobicContact CG1-CG2 4.15Š| ||
| 669 | P | 40.2 | Very low | 37.8 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | -143.1 | 163.9 | 97.8 | 37.9 | -23.1 | 0 | 0 | 0 | 116.4 | |||||
| 670 | T | 31.1 | Very low | 37 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -140 | -173.5 | -175.9 | 31.7 | 0 | 0 | 0 | 0 | 107.8 | V668 | V668-T670 HydrophobicContact CG1-CG2 4.15Š| ||
| 671 | P | 53.6 | Low | 37.9 | Very low | 101 Ų | 101 | 125 Ų | 125 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | cis | -142.2 | -177.7 | -49.3 | 40.7 | -24.3 | 0 | 0 | 0 | 114.9 | ||||
| 672 | T | 34.4 | Very low | 36.9 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 63.1 | 173.4 | 153.2 | -4.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 673 | P | 45.2 | Very low | 37.3 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | cis | -119.5 | 177.7 | 42.3 | 33.2 | -14 | 0 | 0 | 0 | 116.9 | ||||
| 674 | A | 35.2 | Very low | 38.2 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -143.1 | -166.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 675 | L | 36.9 | Very low | 37.5 | Very low | 168 Ų | 168 | 120.3 Ų | 120.3 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | 96.6 | 144.6 | -174.5 | -75.9 | 75.8 | 0 | 0 | 0 | 114.2 | ||||
| 676 | V | 34.4 | Very low | 36.7 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | cis | -162.5 | 143.9 | -5.2 | 112.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 677 | Q | 33.3 | Very low | 36.6 | Very low | 162 Ų | 162 | 119.9 Ų | 119.9 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 55.1 | 170.6 | 153.4 | -61.5 | 170.2 | 53.4 | 0 | 0 | 119.3 | ||||
| 678 | T | 29 | Very low | 36 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -154 | 169.5 | 18.7 | -32.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 679 | E | 29 | Very low | 35.7 | Very low | 192 Ų | 192 | 116.8 Ų | 116.8 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | 81.7 | 155 | 161.8 | -58 | -154.5 | 117.6 | 0 | 0 | 121.5 | ||||
| 680 | G | 26.9 | Very low | 36.1 | Very low | 69 Ų | 69 | 116.5 Ų | 116.5 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -141 | -145.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 681 | P | 50.9 | Low | 36.1 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | cis | -138.8 | -156.5 | 6.1 | 43.8 | -24.3 | 0 | 0 | 0 | 114.4 | ||||
| 682 | A | 28.7 | Very low | 35.2 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 101.5 | 134.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 683 | N | 34.9 | Very low | 35 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -154.7 | 171.8 | 174.1 | -136.5 | -7.4 | 0 | 0 | 0 | 105.6 | ||||
| 684 | P | 50.5 | Low | 34.3 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | -117.6 | -162.2 | 9.1 | 45 | -30.1 | 0 | 0 | 0 | 112.2 | ||||
| 685 | G | 29.2 | Very low | 34 | Very low | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | cis | 123.5 | 161.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 686 | A | 31.2 | Very low | 34.7 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 80.5 | 145.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 687 | S | 29.8 | Very low | 34.4 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 157.5 | 169.8 | 80.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 688 | S | 32.9 | Very low | 34.6 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -161.6 | 161.2 | -25.3 | 174.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 689 | G | 32.8 | Very low | 34.7 | Very low | 60 Ų | 60 | 128.6 Ų | 128.6 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | trans | -81.6 | -170 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 690 | P | 48.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -142.9 | -162.1 | 7.3 | 42.1 | -21.5 | 0 | 0 | 0 | 115.7 | ||||
| 691 | R | 31.8 | Very low | 35.3 | Very low | 229 Ų | 229 | 129.6 Ų | 129.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 84.5 | 111.2 | 153.6 | -82 | -176.2 | 174.9 | -140.9 | 1.2 | 123 | ||||
| 692 | R | 33.4 | Very low | 35.8 | Very low | 203 Ų | 203 | 128.3 Ų | 128.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | 59.3 | 130.6 | 116.9 | -99.6 | -170.9 | -178.7 | -112 | 3 | 122.9 | |||||
| 693 | L | 30.7 | Very low | 35.8 | Very low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | 71 | 162.4 | 149.1 | -58.8 | 171.8 | 0 | 0 | 0 | 117.8 | ||||
| 694 | S | 30.5 | Very low | 36 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | cis | -178.2 | 140.5 | -47.6 | -98 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 695 | T | 29.4 | Very low | 36.4 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 61.3 | 171 | 163.1 | 62.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 696 | P | 50.8 | Low | 36.7 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | cis | -127.8 | 177.5 | -23.8 | 25.5 | -4.8 | 0 | 0 | 0 | 113.6 | ||||
| 697 | N | 28.4 | Very low | 36.7 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -157.1 | 160 | 134.8 | -125.2 | -43.8 | 0 | 0 | 0 | 113.2 | ||||
| 698 | L | 37.9 | Very low | 37.8 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | trans | -106.1 | -176.1 | 178.1 | -57.4 | 90.1 | 0 | 0 | 0 | 108.9 | ||||
| 699 | M | 32 | Very low | 37.9 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | cis | -163.7 | 149.7 | 15.1 | -168.4 | 91.9 | 72.4 | 0 | 0 | 109.5 | ||||
| 700 | C | 29.9 | Very low | 37.9 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 83% | 0.831 | 74% | 0.744 | S | S | * | * | 164.2 | 152.5 | 128.7 | -89 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 701 | N | 38.3 | Very low | 37.2 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | trans | -136.2 | -170.1 | -173.2 | -106.9 | -32.9 | 0 | 0 | 0 | 108 | ||||
| 702 | P | 60.4 | Low | 37.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -118 | -174.9 | 1.1 | 40.7 | -23.3 | 0 | 0 | 0 | 112.4 | ||||
| 703 | D | 29.6 | Very low | 37.1 | Very low | 116 Ų | 116 | 127 Ų | 127 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | 179.8 | 161.5 | 65 | -131.9 | 23.1 | 0 | 0 | 0 | 107.8 | |||||
| 704 | K | 39.4 | Very low | 37.2 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | cis | -146.8 | -147.3 | -3.1 | -143.5 | 177.3 | -156.6 | 68.4 | 0 | 109.6 | ||||
| 705 | P | 57.9 | Low | 37.6 | Very low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | trans | -131.1 | -171.8 | -139.1 | 45.3 | -24.1 | 0 | 0 | 0 | 118.7 | ||||
| 706 | D | 35.2 | Very low | 37.9 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | 98.3 | 121.5 | 154.8 | -60.9 | -24.6 | 0 | 0 | 0 | 121.1 | ||||
| 707 | A | 32.1 | Very low | 37.6 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | -113 | -161.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 708 | P | 52.6 | Low | 38.1 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | cis | -114.6 | 168.3 | 37.7 | 10.9 | 14.4 | 0 | 0 | 0 | 112.6 | ||||
| 709 | A | 34.9 | Very low | 38 | Very low | 73 Ų | 73 | 135 Ų | 135 | 60% | 0.603 | 74% | 0.741 | S | S | * | * | cis | 90.6 | 139.1 | 25.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 710 | F | 33.4 | Very low | 38.5 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | 75.4 | 147.5 | 177.2 | -53.5 | -61.4 | 0 | 0 | 0 | 117.2 | ||||
| 711 | H | 32.1 | Very low | 38.8 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | cis | -146.6 | -176.4 | -1.6 | -117.3 | -39.7 | 0 | 0 | 0 | 112 | ||||
| 712 | S | 31.8 | Very low | 38.6 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -94.3 | 164.9 | -165.7 | -41.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 713 | S | 31.1 | Very low | 37.5 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | 130.3 | 137.3 | 120.7 | -157.9 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 714 | T | 34.1 | Very low | 37.7 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 58.4 | 128.7 | 144.9 | 41.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 715 | L | 38.1 | Very low | 37.4 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | 26.1 | 128 | 133.8 | -96.7 | 86 | 0 | 0 | 0 | 120.9 | ||||
| 716 | E | 36.8 | Very low | 36 | Very low | 143 Ų | 143 | 140 Ų | 140 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | -177.1 | 177 | 105 | -107 | -77.1 | 63 | 0 | 0 | 112.6 | |||||
| 717 | R | 43.3 | Very low | 35.9 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -100.8 | 144.5 | -174.5 | -45.8 | 152.7 | -179.4 | 100.2 | -14 | 112.8 | ||||
| 718 | K | 38.9 | Very low | 37.3 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | trans | -163.4 | 170.5 | 140.4 | -128.5 | 73.7 | 174.7 | -168.5 | 0 | 114.5 | ||||
| 719 | T | 36.6 | Very low | 36.4 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 163.2 | -168 | 41.7 | 0 | 0 | 0 | 0 | 116.7 | ||
| 720 | P | 42.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 164 | 170 | 33.8 | -37.4 | 0 | 0 | 0 | 112.8 | ||
| 721 | I | 35.4 | Very low | 37.1 | Very low | 169 Ų | 169 | 143 Ų | 143 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 134.5 | 175.4 | -67.5 | 172.9 | 0 | 0 | 0 | 110.1 | ||
| 722 | Q | 35.3 | Very low | 37.5 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | -109.2 | -172.6 | 165.1 | -82.1 | -169.8 | -17.1 | 0 | 0 | 109.7 | ||||
| 723 | I | 36.1 | Very low | 38 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | 81.7 | 131 | 170.5 | -50 | 157.7 | 0 | 0 | 0 | 110.8 | ||||
| 724 | L | 34.9 | Very low | 38.6 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | cis | -134.3 | 154.4 | 16.4 | -166.6 | 62.8 | 0 | 0 | 0 | 108.4 | ||||
| 725 | G | 32.3 | Very low | 39.1 | Very low | 68 Ų | 68 | 148.9 Ų | 148.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | 144.7 | 157 | 8.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 726 | Q | 29.6 | Very low | 39.3 | Very low | 185 Ų | 185 | 148.9 Ų | 148.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | cis | -164 | 152.7 | -4.8 | -174.7 | 175.6 | -16.5 | 0 | 0 | 107.7 | ||||
| 727 | E | 32.8 | Very low | 39.6 | Very low | 171 Ų | 171 | 153 Ų | 153 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -76.9 | -175.6 | 171.1 | -115.9 | -157.5 | 145.9 | 0 | 0 | 112.3 | ||||
| 728 | P | 62 | Low | 39.5 | Very low | 91 Ų | 91 | 150.9 Ų | 150.9 | 59% | 0.591 | 79% | 0.792 | S | S | * | * | cis | -130 | -170.9 | -10.1 | 31 | -8.1 | 0 | 0 | 0 | 113.1 | ||||
| 729 | D | 32.3 | Very low | 39.5 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | 154.9 | 156.9 | 99.9 | -130.7 | -23.5 | 0 | 0 | 0 | 117.1 | |||||
| 730 | A | 36.7 | Very low | 39.6 | Very low | 77 Ų | 77 | 149.8 Ų | 149.8 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | 39.4 | 116.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 731 | E | 46.6 | Very low | 39.5 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | 29.5 | 117.8 | 124.4 | -55.9 | -176.2 | 158.5 | 0 | 0 | 122.4 | |||||
| 732 | M | 42 | Very low | 39.8 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | -174.8 | 126 | 121.9 | -95.1 | -151.4 | -58.5 | 0 | 0 | 109.1 | |||||
| 733 | V | 41.1 | Very low | 40.1 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | 80.7 | 89.3 | 71.8 | 176.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 734 | E | 44.5 | Very low | 40.3 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | 83.7 | 155.1 | 128.9 | -142.1 | 178 | -174.8 | 0 | 0 | 122.9 | |||||
| 735 | Y | 43.7 | Very low | 40.8 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 91.9 | 137.9 | 157 | -81.7 | -66.6 | 0 | 0 | 0 | 123.9 | ||||
| 736 | L | 42.1 | Very low | 41.5 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 67.2 | 122.2 | 168.4 | -86.9 | 76.3 | 0 | 0 | 0 | 116.8 | ||||
| 737 | I | 44.3 | Very low | 42.5 | Very low | 228 Ų | 228 | 152.1 Ų | 152.1 | 100% | 1.169 | 78% | 0.783 | S | S | * | * | cis | -135.3 | 0 | -2.5 | -73 | 175 | 0 | 0 | 0 | 108.5 |
Retrieved 737 of 737 residues in 248.5 ms
(Link to these results)