| 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 | 44.1 | Very low | 51.3 | Low | 245 Ų | 245 | 119.1 Ų | 119.1 | 100% | 1.207 | 70% | 0.696 | S | S | * | * | 0 | 76.2 | 0 | -66.6 | -166.2 | -173.3 | 0 | 0 | 108.5 | |||||
| 2 | A | 45.8 | Very low | 51.8 | Low | 98 Ų | 98 | 119.8 Ų | 119.8 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | trans | -146.8 | 32.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | S | 51.5 | Low | 52.7 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -127 | -12.6 | 176.9 | -71.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 4 | E | 49.4 | Very low | 54 | Low | 172 Ų | 172 | 116.4 Ų | 116.4 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -9.9 | -177.2 | -103.5 | 165.9 | 83.7 | 0 | 0 | 114.9 | ||
| 5 | S | 51.6 | Low | 54.9 | Low | 98 Ų | 98 | 117.1 Ų | 117.1 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -4.1 | -177.1 | -53.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 6 | A | 51.5 | Low | 55.7 | Low | 74 Ų | 74 | 116.1 Ų | 116.1 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -25.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 7 | E | 51.4 | Low | 56.7 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 64% | 0.64 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.1 | -36.7 | 178.8 | -78.2 | 174.9 | 85.1 | 0 | 0 | 111.9 | L9 A10 E11 | E7-L9 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 3.41Å; E7-A10 PolarHBondContact O-N 3.46Å; E7-E11 PolarHBondContact O-N 3.13Å; E7-E11 VanDerWaalsContact O-N 3.16Å |
| 8 | T | 53.5 | Low | 57.9 | Low | 82 Ų | 82 | 116.6 Ų | 116.6 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.3 | -24.1 | -178.6 | 49.3 | 0 | 0 | 0 | 0 | 114.8 | Q12 | T8-Q12 PolarHBondContact O-N 2.82Å |
| 9 | L | 53.8 | Low | 58.6 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 63% | 0.634 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80 | -32.6 | 175.6 | -111.9 | 115.9 | 0 | 0 | 0 | 112.2 | E7 D13 | E7-L9 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 3.41Å; L9-D13 PolarHBondContact O-N 3.49Å |
| 10 | A | 56.1 | Low | 59.3 | Low | 59 Ų | 59 | 116.5 Ų | 116.5 | 49% | 0.488 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -75.5 | -34.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | E7 T14 | E7-A10 PolarHBondContact O-N 3.46Å; A10-T14 PolarHBondContact O-N 2.97Å; A10-T14 PolarHBondContact O-OG1 3.18Å |
| 11 | E | 55.5 | Low | 60 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 58% | 0.584 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 174.7 | -71.6 | -178.2 | 101.5 | 0 | 0 | 111.8 | E7 D13 T14 E15 | E7-E11 PolarHBondContact O-N 3.13Å; E7-E11 VanDerWaalsContact O-N 3.16Å; E11-D13 PolarHBondContact O-N 3.14Å; E11-T14 PolarHBondContact O-N 3.39Å; E11-E15 PolarHBondContact O-N 3.23Å; E11-E15 VanDerWaalsContact O-N 3.09Å |
| 12 | Q | 57.9 | Low | 61.5 | Low | 128 Ų | 128 | 108.5 Ų | 108.5 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66 | -36.5 | 176.5 | -85.7 | -171.3 | -32.7 | 0 | 0 | 113.8 | T8 T14 L16 | T8-Q12 PolarHBondContact O-N 2.82Å; Q12-T14 VanDerWaalsContact C-N 3.32Å; Q12-L16 WeakPolarHBondContact O-CB 3.48Å; Q12-L16 VanDerWaalsContact O-CG 3.31Å; Q12-L16 WeakPolarHBondContact O-CG 3.46Å; Q12-L16 PolarHBondContact O-N 3.37Å; Q12-L16 VanDerWaalsContact O-N 3.15Å |
| 13 | D | 63.4 | Low | 62.8 | Low | 108 Ų | 108 | 106.8 Ų | 106.8 | 58% | 0.578 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.1 | -36.6 | 177.8 | -133.2 | -115 | 0 | 0 | 0 | 110.8 | L9 E11 L16 D17 | L9-D13 PolarHBondContact O-N 3.49Å; E11-D13 PolarHBondContact O-N 3.14Å; D13-L16 PolarHBondContact O-N 2.62Å; D13-D17 PolarHBondContact O-N 3.2Å |
| 14 | T | 70.8 | Confident | 63.4 | Low | 83 Ų | 83 | 107.4 Ų | 107.4 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.1 | -41.1 | 179.6 | -45.3 | 0 | 0 | 0 | 0 | 111.9 | A10 E11 Q12 L16 D17 E18 | A10-T14 PolarHBondContact O-N 2.97Å; A10-T14 PolarHBondContact O-OG1 3.18Å; E11-T14 PolarHBondContact O-N 3.39Å; Q12-T14 VanDerWaalsContact C-N 3.32Å; T14-L16 VanDerWaalsContact C-N 3.31Å; T14-L16 PolarHBondContact O-N 3.4Å; T14-D17 PolarHBondContact O-N 3.08Å; T14-E18 PolarHBondContact O-N 3.07Å |
| 15 | E | 67.8 | Low | 64.4 | Low | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.2 | -33.5 | 175.1 | -70.6 | -172.4 | 100.3 | 0 | 0 | 112.1 | E11 L19 | E11-E15 PolarHBondContact O-N 3.23Å; E11-E15 VanDerWaalsContact O-N 3.09Å; E15-L19 WeakPolarHBondContact O-CB 3.48Å; E15-L19 WeakPolarHBondContact O-CD1 3.38Å; E15-L19 WeakPolarHBondContact O-CG 3.21Å; E15-L19 PolarHBondContact O-N 3.02Å; E15-L19 VanDerWaalsContact O-N 3.09Å |
| 16 | L | 67.3 | Low | 65.1 | Low | 101 Ų | 101 | 104.9 Ų | 104.9 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71 | -40 | 174.3 | -74.3 | 171.8 | 0 | 0 | 0 | 111.9 | Q12 D13 T14 L19 L20 | Q12-L16 WeakPolarHBondContact O-CB 3.48Å; Q12-L16 VanDerWaalsContact O-CG 3.31Å; Q12-L16 WeakPolarHBondContact O-CG 3.46Å; Q12-L16 PolarHBondContact O-N 3.37Å; Q12-L16 VanDerWaalsContact O-N 3.15Å; D13-L16 PolarHBondContact O-N 2.62Å; T14-L16 VanDerWaalsContact C-N 3.31Å; T14-L16 PolarHBondContact O-N 3.4Å; L16-L19 PolarHBondContact O-N 2.98Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 VanDerWaalsContact O-CG 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.33Å; L16-L20 PolarHBondContact O-N 3.08Å |
| 17 | D | 73.4 | Confident | 65.5 | Low | 102 Ų | 102 | 109.6 Ų | 109.6 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.3 | -43.1 | 175.8 | -123.2 | -120.3 | 0 | 0 | 0 | 111.2 | D13 T14 L19 L20 D21 | D13-D17 PolarHBondContact O-N 3.2Å; T14-D17 PolarHBondContact O-N 3.08Å; D17-L19 VanDerWaalsContact C-N 3.33Å; D17-L19 PolarHBondContact O-N 3.4Å; D17-L20 PolarHBondContact O-N 2.91Å; D17-D21 PolarHBondContact O-N 3.28Å |
| 18 | E | 77.1 | Confident | 65.9 | Low | 140 Ų | 140 | 110.8 Ų | 110.8 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.9 | -34.7 | 174.9 | -76 | -168.5 | 89.3 | 0 | 0 | 112.7 | T14 S22 | T14-E18 PolarHBondContact O-N 3.07Å; E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.25Å; E18-S22 PolarHBondContact O-N 3.19Å |
| 19 | L | 72.3 | Confident | 66.1 | Low | 116 Ų | 116 | 114.7 Ų | 114.7 | 61% | 0.607 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.8 | -33.2 | 175 | -74.6 | 171.2 | 0 | 0 | 0 | 112.5 | E15 L16 D17 A23 | E15-L19 WeakPolarHBondContact O-CB 3.48Å; E15-L19 WeakPolarHBondContact O-CD1 3.38Å; E15-L19 WeakPolarHBondContact O-CG 3.21Å; E15-L19 PolarHBondContact O-N 3.02Å; E15-L19 VanDerWaalsContact O-N 3.09Å; L16-L19 PolarHBondContact O-N 2.98Å; D17-L19 VanDerWaalsContact C-N 3.33Å; D17-L19 PolarHBondContact O-N 3.4Å; L19-A23 VanDerWaalsContact O-CB 3.3Å; L19-A23 WeakPolarHBondContact O-CB 3.05Å; L19-A23 PolarHBondContact O-N 2.95Å |
| 20 | L | 72.8 | Confident | 65.7 | Low | 115 Ų | 115 | 113.7 Ų | 113.7 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.2 | -40.7 | 175.8 | -72.1 | 170.6 | 0 | 0 | 0 | 111.6 | L16 D17 A23 L24 | L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 VanDerWaalsContact O-CG 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.33Å; L16-L20 PolarHBondContact O-N 3.08Å; D17-L20 PolarHBondContact O-N 2.91Å; L20-A23 PolarHBondContact O-N 2.94Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 PolarHBondContact O-N 3.2Å |
| 21 | D | 73.6 | Confident | 65.3 | Low | 112 Ų | 112 | 117.6 Ų | 117.6 | 60% | 0.599 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.9 | -41.5 | 177.5 | -135.8 | -84.6 | 0 | 0 | 0 | 111.2 | D17 A23 L24 D25 | D17-D21 PolarHBondContact O-N 3.28Å; D21-A23 VanDerWaalsContact C-N 3.35Å; D21-A23 PolarHBondContact O-N 2.92Å; D21-L24 PolarHBondContact O-N 3.11Å; D21-D25 PolarHBondContact O-N 3.07Å |
| 22 | S | 74.9 | Confident | 64.7 | Low | 82 Ų | 82 | 117.1 Ų | 117.1 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.1 | -37.3 | 173.6 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | E18 D26 | E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.25Å; E18-S22 PolarHBondContact O-N 3.19Å; S22-D26 PolarHBondContact O-N 2.78Å |
| 23 | A | 74.4 | Confident | 64 | Low | 61 Ų | 61 | 115 Ų | 115 | 50% | 0.504 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.8 | -29.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L19 L20 D21 F27 | L19-A23 VanDerWaalsContact O-CB 3.3Å; L19-A23 WeakPolarHBondContact O-CB 3.05Å; L19-A23 PolarHBondContact O-N 2.95Å; L20-A23 PolarHBondContact O-N 2.94Å; D21-A23 VanDerWaalsContact C-N 3.35Å; D21-A23 PolarHBondContact O-N 2.92Å; A23-F27 PolarHBondContact O-N 3.23Å |
| 24 | L | 64.1 | Low | 63.3 | Low | 112 Ų | 112 | 115.7 Ų | 115.7 | 59% | 0.586 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.8 | -40.3 | 175.8 | -155.1 | 78.6 | 0 | 0 | 0 | 111.4 | L20 D21 D26 F27 E28 | L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 PolarHBondContact O-N 3.2Å; D21-L24 PolarHBondContact O-N 3.11Å; L24-D26 PolarHBondContact O-N 3.2Å; L24-F27 PolarHBondContact O-N 2.7Å; L24-E28 PolarHBondContact O-N 3.18Å |
| 25 | D | 68.6 | Low | 61.8 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.8 | -36 | 177.6 | -161.8 | -96 | 0 | 0 | 0 | 112.3 | D21 F27 E28 K29 | D21-D25 PolarHBondContact O-N 3.07Å; D25-F27 VanDerWaalsContact C-N 3.29Å; D25-F27 PolarHBondContact O-N 3.49Å; D25-E28 PolarHBondContact O-N 3.38Å; D25-K29 PolarHBondContact O-N 3.23Å; D25-K29 VanDerWaalsContact O-N 3.15Å |
| 26 | D | 67.1 | Low | 60.3 | Low | 115 Ų | 115 | 116.4 Ų | 116.4 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.6 | -30.1 | 177.7 | -150.8 | -103.7 | 0 | 0 | 0 | 112.1 | S22 L24 | S22-D26 PolarHBondContact O-N 2.78Å; L24-D26 PolarHBondContact O-N 3.2Å |
| 27 | F | 59.5 | Low | 59.5 | Low | 174 Ų | 174 | 116.9 Ų | 116.9 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -74 | -36.5 | 176 | -143.9 | -96.9 | 0 | 0 | 0 | 112.2 | A23 L24 D25 K29 T30 | A23-F27 PolarHBondContact O-N 3.23Å; L24-F27 PolarHBondContact O-N 2.7Å; D25-F27 VanDerWaalsContact C-N 3.29Å; D25-F27 PolarHBondContact O-N 3.49Å; F27-K29 VanDerWaalsContact C-N 3.3Å; F27-K29 PolarHBondContact O-N 2.9Å; F27-T30 PolarHBondContact O-OG1 3.09Å; F27-T30 VanDerWaalsContact O-OG1 3.07Å |
| 28 | E | 61 | Low | 57.7 | Low | 162 Ų | 162 | 118.3 Ų | 118.3 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.2 | -22.4 | 176.2 | -113.6 | 176 | 92.3 | 0 | 0 | 113.1 | L24 D25 T30 | L24-E28 PolarHBondContact O-N 3.18Å; D25-E28 PolarHBondContact O-N 3.38Å; E28-T30 VanDerWaalsContact C-N 3.25Å; E28-T30 PolarHBondContact O-N 3.39Å |
| 29 | K | 56.1 | Low | 56 | Low | 163 Ų | 163 | 117.7 Ų | 117.7 | 71% | 0.709 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -7.3 | -179.8 | -155.4 | 147.1 | -170.4 | 162.2 | 0 | 114.9 | D25 F27 | D25-K29 PolarHBondContact O-N 3.23Å; D25-K29 VanDerWaalsContact O-N 3.15Å; F27-K29 VanDerWaalsContact C-N 3.3Å; F27-K29 PolarHBondContact O-N 2.9Å |
| 30 | T | 46.7 | Very low | 54.1 | Low | 101 Ų | 101 | 117 Ų | 117 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 27.2 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | F27 E28 P32 | F27-T30 PolarHBondContact O-OG1 3.09Å; F27-T30 VanDerWaalsContact O-OG1 3.07Å; E28-T30 VanDerWaalsContact C-N 3.25Å; E28-T30 PolarHBondContact O-N 3.39Å; T30-P32 WeakPolarHBondContact O-CD 3.45Å |
| 31 | N | 48 | Very low | 52 | Low | 141 Ų | 141 | 116 Ų | 116 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | trans | -98.9 | 93.1 | 168.7 | -171.2 | 25.3 | 0 | 0 | 0 | 112.2 | ||||
| 32 | P | 43 | Very low | 50 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -77 | 123.7 | 165.7 | 30 | -31 | 0 | 0 | 0 | 110.7 | T30 | T30-P32 WeakPolarHBondContact O-CD 3.45Š|
| 33 | A | 42.7 | Very low | 47.9 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 155.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 34 | P | 48.9 | Very low | 45.7 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 149.1 | -175.4 | 33.7 | -33.6 | 0 | 0 | 0 | 112.3 | ||
| 35 | P | 38.8 | Very low | 45.1 | Very low | 129 Ų | 129 | 118.8 Ų | 118.8 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 138.2 | 162.7 | 33.5 | -27.4 | 0 | 0 | 0 | 112.1 | ||
| 36 | A | 35.8 | Very low | 43.7 | Very low | 96 Ų | 96 | 119.5 Ų | 119.5 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | -90.8 | -173.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | P | 51.5 | Low | 41.9 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | -115.9 | -175.7 | -124.1 | 27.6 | -4.7 | 0 | 0 | 0 | 116.3 | |||||
| 38 | V | 34.1 | Very low | 40.4 | Very low | 131 Ų | 131 | 116.4 Ų | 116.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 91.9 | 156.5 | 159.2 | -40 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 39 | P | 41.6 | Very low | 39 | Very low | 127 Ų | 127 | 119 Ų | 119 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | cis | -134 | -174.1 | -2.9 | 35.3 | -12.8 | 0 | 0 | 0 | 116.1 | ||||
| 40 | A | 33.1 | Very low | 37.5 | Very low | 101 Ų | 101 | 114.9 Ų | 114.9 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -84.4 | 158.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 41 | A | 29 | Very low | 36.7 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | 177.6 | 108 | 142.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 42 | A | 32.1 | Very low | 36.3 | Very low | 101 Ų | 101 | 118 Ų | 118 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | 73.8 | 106.5 | 87.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 43 | A | 29.2 | Very low | 35.6 | Very low | 111 Ų | 111 | 122 Ų | 122 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | 173.7 | 134.2 | 133.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 44 | A | 29.8 | Very low | 35 | Very low | 95 Ų | 95 | 127 Ų | 127 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -126.3 | -178 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 45 | P | 51 | Low | 34.2 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | cis | -123.1 | -160.9 | -35.8 | 35.7 | -14.8 | 0 | 0 | 0 | 110.5 | ||||
| 46 | P | 38.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | -148.2 | 147.3 | 80.6 | 35.9 | -15.3 | 0 | 0 | 0 | 117.8 | |||||
| 47 | S | 30.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 35.6 | 124.9 | 138.3 | -56.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 48 | A | 26.3 | Very low | 33.3 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 88% | 0.884 | 83% | 0.828 | S | S | * | * | -168 | 144.7 | 112.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 49 | K | 31.6 | Very low | 33.5 | Very low | 218 Ų | 218 | 133.7 Ų | 133.7 | 95% | 0.948 | 83% | 0.829 | S | S | * | * | trans | -73 | 153.2 | -178.7 | -66 | 172 | 169 | -180 | 0 | 113.1 | ||||
| 50 | G | 25.2 | Very low | 33.3 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 173.6 | 131.6 | 159 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 51 | S | 30 | Very low | 33.7 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -78.7 | 166.4 | -165 | -43.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 52 | E | 39.8 | Very low | 34.2 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -15 | 126.7 | 165.4 | -82.5 | 148.5 | 88.5 | 0 | 0 | 118.1 | ||||
| 53 | E | 28.9 | Very low | 34.8 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | -162.9 | 156.2 | 125.5 | -128.2 | 169.6 | 75.8 | 0 | 0 | 111.9 | |||||
| 54 | K | 30.2 | Very low | 35.2 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 151.1 | -171.9 | -92.9 | 161.7 | 161.3 | 165.1 | 0 | 117.1 | ||
| 55 | P | 32 | Very low | 35.7 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 148.7 | 166.6 | 30.3 | -31.6 | 0 | 0 | 0 | 111.9 | L57 | P55-L57 PolarHBondContact O-N 3.39Š|
| 56 | P | 36.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 118.5 | -179 | 32.8 | -30.7 | 0 | 0 | 0 | 109.2 | ||
| 57 | L | 32.1 | Very low | 35.5 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -128.7 | 39 | 179.8 | -143.3 | 177.4 | 0 | 0 | 0 | 110.6 | P55 | P55-L57 PolarHBondContact O-N 3.39Š| ||
| 58 | L | 37.2 | Very low | 36.2 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | trans | -146.6 | 52.9 | 179.3 | -70.6 | 178.6 | 0 | 0 | 0 | 111.4 | ||||
| 59 | E | 39 | Very low | 37.1 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -141.8 | 27.9 | 173.7 | -128.7 | 164.7 | 148.8 | 0 | 0 | 113.8 | ||||
| 60 | D | 37.5 | Very low | 37.9 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | trans | -122.3 | 8.2 | 177.6 | -112.6 | -78.3 | 0 | 0 | 0 | 114.5 | Q62 F63 | D60-Q62 PolarHBondContact O-N 3.15Å; D60-F63 PolarHBondContact O-N 3Å; D60-F63 VanDerWaalsContact OD1-CB 3.28Å; D60-F63 WeakPolarHBondContact OD1-CB 3.34Å | ||
| 61 | S | 40.5 | Very low | 38.8 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -67.9 | -17.7 | 167.9 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 62 | Q | 41.4 | Very low | 39.7 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -85.8 | -13.7 | 179.1 | -56.9 | -137.6 | -86.5 | 0 | 0 | 113.5 | D60 | D60-Q62 PolarHBondContact O-N 3.15Å |
| 63 | F | 44.8 | Very low | 40.2 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -88.4 | -35.9 | 175.8 | -174.1 | -107.3 | 0 | 0 | 0 | 111.6 | D60 E65 A66 L67 | D60-F63 PolarHBondContact O-N 3Å; D60-F63 VanDerWaalsContact OD1-CB 3.28Å; D60-F63 WeakPolarHBondContact OD1-CB 3.34Å; F63-E65 VanDerWaalsContact C-N 3.33Å; F63-A66 PolarHBondContact O-N 2.93Å; F63-L67 PolarHBondContact O-N 3.33Å |
| 64 | F | 37.1 | Very low | 41.3 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.9 | -35.6 | 173.9 | -153.3 | -91.4 | 0 | 0 | 0 | 112.3 | A66 E267 | F64-A66 VanDerWaalsContact C-N 3.33Å; F64-E267 WeakPolarHBondContact CE1-OE2 3.29Å; F64-E267 HydrophobicContact CZ-CG 3.94Å; F64-E267 WeakPolarHBondContact CZ-OE2 3.36Å |
| 65 | E | 39.7 | Very low | 42.4 | Very low | 113 Ų | 113 | 118.2 Ų | 118.2 | 53% | 0.528 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.6 | -35.2 | 176.2 | -146.2 | 153 | 91 | 0 | 0 | 111.5 | F63 E69 | F63-E65 VanDerWaalsContact C-N 3.33Å; E65-E69 WeakPolarHBondContact O-CB 3.48Å; E65-E69 VanDerWaalsContact O-CG 3.22Å; E65-E69 WeakPolarHBondContact O-CG 3.45Å; E65-E69 PolarHBondContact O-N 2.81Å; E65-E69 VanDerWaalsContact O-N 3.09Å |
| 66 | A | 41.2 | Very low | 43.3 | Very low | 61 Ų | 61 | 115.5 Ų | 115.5 | 50% | 0.504 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.3 | -23.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F63 F64 | F63-A66 PolarHBondContact O-N 2.93Å; F64-A66 VanDerWaalsContact C-N 3.33Å |
| 67 | L | 44.1 | Very low | 44.1 | Very low | 121 Ų | 121 | 116 Ų | 116 | 63% | 0.634 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -82.5 | -28.7 | -179.2 | -144.6 | 78.2 | 0 | 0 | 0 | 112.3 | F63 | F63-L67 PolarHBondContact O-N 3.33Å |
| 68 | F | 44.5 | Very low | 45.3 | Very low | 116 Ų | 116 | 115.5 Ų | 115.5 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -98.7 | -2.2 | 174 | -105.2 | -106.6 | 0 | 0 | 0 | 112.7 | G70 A73 E267 | F68-G70 PolarHBondContact O-N 3.47Å; F68-A73 HydrophobicContact CB-CB 4.08Å; F68-A73 HydrophobicContact CD1-CB 3.48Å; F68-A73 VanDerWaalsContact CD1-CB 3.48Å; F68-A73 HydrophobicContact CE1-CB 4.38Å; F68-A73 HydrophobicContact CG-CB 4.22Å; F68-A73 WeakPolarHBondContact O-CB 3.26Å; F68-E267 VanDerWaalsContact CE2-OE2 3.24Å; F68-E267 WeakPolarHBondContact CE2-OE2 3.41Å |
| 69 | E | 44.9 | Very low | 46 | Very low | 134 Ų | 134 | 113.8 Ų | 113.8 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | trans | -71.7 | 68.9 | -179.5 | -107.5 | 172.7 | 149.8 | 0 | 0 | 113.9 | E65 | E65-E69 WeakPolarHBondContact O-CB 3.48Å; E65-E69 VanDerWaalsContact O-CG 3.22Å; E65-E69 WeakPolarHBondContact O-CG 3.45Å; E65-E69 PolarHBondContact O-N 2.81Å; E65-E69 VanDerWaalsContact O-N 3.09Å | ||
| 70 | G | 50 | Low | 46.8 | Very low | 41 Ų | 41 | 113.3 Ų | 113.3 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -115.6 | 144 | 149.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | F68 M72 A73 | F68-G70 PolarHBondContact O-N 3.47Å; G70-M72 PolarHBondContact O-N 3.18Å; G70-A73 WeakPolarHBondContact O-CB 3.04Å; G70-A73 PolarHBondContact O-N 3.48Å |
| 71 | E | 44.5 | Very low | 47.6 | Very low | 175 Ų | 175 | 112.9 Ų | 112.9 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -46.9 | -20.5 | -179 | -172.5 | 155 | 73.1 | 0 | 0 | 114.9 | Q75 | E71-Q75 WeakPolarHBondContact O-CB 3.48Å; E71-Q75 PolarHBondContact O-N 2.92Å |
| 72 | M | 48.1 | Very low | 48.8 | Very low | 160 Ų | 160 | 114.6 Ų | 114.6 | 79% | 0.788 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -75.3 | -33.8 | 176 | -163.5 | 169.8 | -157.6 | 0 | 0 | 114.8 | G70 A76 | G70-M72 PolarHBondContact O-N 3.18Å; M72-A76 WeakPolarHBondContact O-CB 3.46Å; M72-A76 PolarHBondContact O-N 2.74Å |
| 73 | A | 50.7 | Low | 49.6 | Very low | 19 Ų | 19 | 109.7 Ų | 109.7 | 16% | 0.157 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -75.1 | -43.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F68 G70 Q75 A76 K77 | F68-A73 HydrophobicContact CB-CB 4.08Å; F68-A73 HydrophobicContact CD1-CB 3.48Å; F68-A73 VanDerWaalsContact CD1-CB 3.48Å; F68-A73 HydrophobicContact CE1-CB 4.38Å; F68-A73 HydrophobicContact CG-CB 4.22Å; F68-A73 WeakPolarHBondContact O-CB 3.26Å; G70-A73 WeakPolarHBondContact O-CB 3.04Å; G70-A73 PolarHBondContact O-N 3.48Å; A73-Q75 PolarHBondContact O-N 3.46Å; A73-A76 PolarHBondContact O-N 3.09Å; A73-K77 WeakPolarHBondContact O-CB 3.42Å; A73-K77 PolarHBondContact O-N 2.81Å |
| 74 | S | 51.5 | Low | 49.9 | Very low | 72 Ų | 72 | 106.9 Ų | 106.9 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 173.9 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | E78 | S74-E78 WeakPolarHBondContact O-CB 3.26Å; S74-E78 PolarHBondContact O-N 2.91Å |
| 75 | Q | 54.2 | Low | 51.2 | Low | 115 Ų | 115 | 104.4 Ų | 104.4 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.2 | -43.5 | 175.4 | -162.8 | 168.8 | 90.3 | 0 | 0 | 112.1 | E71 A73 E78 E79 | E71-Q75 WeakPolarHBondContact O-CB 3.48Å; E71-Q75 PolarHBondContact O-N 2.92Å; A73-Q75 PolarHBondContact O-N 3.46Å; Q75-E78 PolarHBondContact O-N 3.33Å; Q75-E79 VanDerWaalsContact O-CB 3.29Å; Q75-E79 WeakPolarHBondContact O-CB 3.21Å; Q75-E79 VanDerWaalsContact O-CG 3.31Å; Q75-E79 WeakPolarHBondContact O-CG 3.1Å; Q75-E79 PolarHBondContact O-N 3.2Å |
| 76 | A | 50.8 | Low | 52.3 | Low | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M72 A73 W80 | M72-A76 WeakPolarHBondContact O-CB 3.46Å; M72-A76 PolarHBondContact O-N 2.74Å; A73-A76 PolarHBondContact O-N 3.09Å; A76-W80 WeakPolarHBondContact O-CB 3.38Å; A76-W80 PolarHBondContact O-N 2.95Å |
| 77 | K | 51.8 | Low | 52.9 | Low | 130 Ų | 130 | 103.8 Ų | 103.8 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.4 | -43.3 | 175.5 | -174.2 | 178.9 | 178.2 | -179.9 | 0 | 111.1 | A73 W80 E81 | A73-K77 WeakPolarHBondContact O-CB 3.42Å; A73-K77 PolarHBondContact O-N 2.81Å; K77-W80 PolarHBondContact O-N 2.92Å; K77-E81 WeakPolarHBondContact O-CB 3.14Å; K77-E81 PolarHBondContact O-N 3.49Å |
| 78 | E | 57.1 | Low | 53.7 | Low | 147 Ų | 147 | 99.5 Ų | 99.5 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -38.7 | 175.3 | -168.2 | 175.2 | 104.8 | 0 | 0 | 111.1 | S74 Q75 K82 | S74-E78 WeakPolarHBondContact O-CB 3.26Å; S74-E78 PolarHBondContact O-N 2.91Å; Q75-E78 PolarHBondContact O-N 3.33Å; E78-K82 WeakPolarHBondContact O-CA 3.39Å; E78-K82 WeakPolarHBondContact O-CB 3.26Å; E78-K82 PolarHBondContact O-N 2.93Å |
| 79 | E | 53.5 | Low | 54.5 | Low | 131 Ų | 131 | 101.7 Ų | 101.7 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.6 | -40.1 | 173.9 | -78.1 | -173.5 | 173.3 | 0 | 0 | 112.6 | Q75 A83 | Q75-E79 VanDerWaalsContact O-CB 3.29Å; Q75-E79 WeakPolarHBondContact O-CB 3.21Å; Q75-E79 VanDerWaalsContact O-CG 3.31Å; Q75-E79 WeakPolarHBondContact O-CG 3.1Å; Q75-E79 PolarHBondContact O-N 3.2Å; E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.5Å |
| 80 | W | 55.4 | Low | 54.9 | Low | 163 Ų | 163 | 101.3 Ų | 101.3 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.2 | -44.2 | 176.5 | -179.9 | 80.4 | 0 | 0 | 0 | 112 | A76 K77 K82 A83 M84 | A76-W80 WeakPolarHBondContact O-CB 3.38Å; A76-W80 PolarHBondContact O-N 2.95Å; K77-W80 PolarHBondContact O-N 2.92Å; W80-K82 VanDerWaalsContact C-N 3.34Å; W80-A83 PolarHBondContact O-N 3.47Å; W80-M84 HydrophobicContact CH2-SD 3.57Å; W80-M84 VanDerWaalsContact CH2-SD 3.57Å; W80-M84 HydrophobicContact CZ2-CE 4.42Å; W80-M84 HydrophobicContact CZ2-SD 3.56Å; W80-M84 VanDerWaalsContact CZ2-SD 3.56Å; W80-M84 HydrophobicContact CZ3-SD 4.18Å; W80-M84 WeakPolarHBondContact O-CB 3.28Å; W80-M84 PolarHBondContact O-N 3.36Å |
| 81 | E | 54.8 | Low | 55.3 | Low | 107 Ų | 107 | 102.6 Ų | 102.6 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.4 | -36.1 | 179.1 | -160.2 | 178.9 | 143.4 | 0 | 0 | 110.6 | K77 T85 | K77-E81 WeakPolarHBondContact O-CB 3.14Å; K77-E81 PolarHBondContact O-N 3.49Å; E81-T85 WeakPolarHBondContact O-CB 3.17Å; E81-T85 PolarHBondContact O-N 2.59Å; E81-T85 PolarHBondContact O-OG1 2.82Å |
| 82 | K | 65.4 | Low | 56.2 | Low | 132 Ų | 132 | 98 Ų | 98 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.7 | -46.4 | 171 | -174.1 | -179 | 177.1 | -172.3 | 0 | 111.6 | E78 W80 M84 T85 E86 | E78-K82 WeakPolarHBondContact O-CA 3.39Å; E78-K82 WeakPolarHBondContact O-CB 3.26Å; E78-K82 PolarHBondContact O-N 2.93Å; W80-K82 VanDerWaalsContact C-N 3.34Å; K82-M84 VanDerWaalsContact C-N 3.3Å; K82-M84 PolarHBondContact O-N 3.33Å; K82-T85 PolarHBondContact O-N 2.82Å; K82-E86 WeakPolarHBondContact O-CB 3.47Å; K82-E86 PolarHBondContact O-N 3.47Å |
| 83 | A | 56.8 | Low | 56.4 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E79 W80 L87 | E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.5Å; W80-A83 PolarHBondContact O-N 3.47Å; A83-L87 WeakPolarHBondContact O-CB 3.45Å; A83-L87 PolarHBondContact O-N 3.4Å |
| 84 | M | 52.8 | Low | 56.8 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.9 | -35.4 | 177.5 | -161.9 | 170.5 | -163.1 | 0 | 0 | 111.8 | W80 K82 A88 | W80-M84 HydrophobicContact CH2-SD 3.57Å; W80-M84 VanDerWaalsContact CH2-SD 3.57Å; W80-M84 HydrophobicContact CZ2-CE 4.42Å; W80-M84 HydrophobicContact CZ2-SD 3.56Å; W80-M84 VanDerWaalsContact CZ2-SD 3.56Å; W80-M84 HydrophobicContact CZ3-SD 4.18Å; W80-M84 WeakPolarHBondContact O-CB 3.28Å; W80-M84 PolarHBondContact O-N 3.36Å; K82-M84 VanDerWaalsContact C-N 3.3Å; K82-M84 PolarHBondContact O-N 3.33Å; M84-A88 WeakPolarHBondContact O-CB 3.2Å; M84-A88 PolarHBondContact O-N 3.12Å |
| 85 | T | 64.1 | Low | 57.3 | Low | 68 Ų | 68 | 96 Ų | 96 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74.1 | -37.1 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | E81 K82 A88 Q89 | E81-T85 WeakPolarHBondContact O-CB 3.17Å; E81-T85 PolarHBondContact O-N 2.59Å; E81-T85 PolarHBondContact O-OG1 2.82Å; K82-T85 PolarHBondContact O-N 2.82Å; T85-A88 PolarHBondContact O-N 3.23Å; T85-Q89 WeakPolarHBondContact O-CB 3.36Å; T85-Q89 WeakPolarHBondContact O-CG 3.38Å; T85-Q89 PolarHBondContact O-N 3.28Å |
| 86 | E | 61.2 | Low | 57.7 | Low | 105 Ų | 105 | 95.9 Ų | 95.9 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 175.2 | -158.5 | 165.3 | 109.2 | 0 | 0 | 109.3 | K82 A88 Q89 E90 | K82-E86 WeakPolarHBondContact O-CB 3.47Å; K82-E86 PolarHBondContact O-N 3.47Å; E86-A88 VanDerWaalsContact C-N 3.33Å; E86-A88 PolarHBondContact O-N 2.8Å; E86-Q89 PolarHBondContact O-N 2.96Å; E86-E90 WeakPolarHBondContact O-CB 3.45Å; E86-E90 WeakPolarHBondContact O-CG 3.36Å; E86-E90 PolarHBondContact O-N 3.39Å |
| 87 | L | 54.8 | Low | 58.2 | Low | 55 Ų | 55 | 94.9 Ų | 94.9 | 29% | 0.288 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 172.3 | -163.6 | 72.3 | 0 | 0 | 0 | 112.6 | A83 E91 L94 | A83-L87 WeakPolarHBondContact O-CB 3.45Å; A83-L87 PolarHBondContact O-N 3.4Å; L87-E91 PolarHBondContact O-N 2.96Å; L87-L94 HydrophobicContact CD2-CD2 3.68Å; L87-L94 HydrophobicContact CG-CD2 4.11Å |
| 88 | A | 60.3 | Low | 58.6 | Low | 32 Ų | 32 | 94.4 Ų | 94.4 | 26% | 0.264 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.3 | -34.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M84 T85 E86 L95 | M84-A88 WeakPolarHBondContact O-CB 3.2Å; M84-A88 PolarHBondContact O-N 3.12Å; T85-A88 PolarHBondContact O-N 3.23Å; E86-A88 VanDerWaalsContact C-N 3.33Å; E86-A88 PolarHBondContact O-N 2.8Å; A88-L95 HydrophobicContact CB-CD1 3.31Å; A88-L95 HydrophobicContact CB-CG 4.33Å |
| 89 | Q | 61 | Low | 58.8 | Low | 161 Ų | 161 | 93.8 Ų | 93.8 | 75% | 0.752 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -78.4 | -38 | 177.4 | -82.2 | -175.5 | 23.8 | 0 | 0 | 112.1 | T85 E86 | T85-Q89 WeakPolarHBondContact O-CB 3.36Å; T85-Q89 WeakPolarHBondContact O-CG 3.38Å; T85-Q89 PolarHBondContact O-N 3.28Å; E86-Q89 PolarHBondContact O-N 2.96Å |
| 90 | E | 53.2 | Low | 59.2 | Low | 126 Ų | 126 | 93 Ų | 93 | 59% | 0.589 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -79.3 | -36 | -179.7 | -70.6 | -173.8 | 93.1 | 0 | 0 | 112 | E86 | E86-E90 WeakPolarHBondContact O-CB 3.45Å; E86-E90 WeakPolarHBondContact O-CG 3.36Å; E86-E90 PolarHBondContact O-N 3.39Å |
| 91 | E | 59.7 | Low | 59.4 | Low | 68 Ų | 68 | 86.5 Ų | 86.5 | 32% | 0.318 | 43% | 0.43 | S | S | . | . | trans | -136.7 | 80.8 | -177.1 | -70.4 | -159 | 107.8 | 0 | 0 | 113.3 | L87 E93 L94 N132 | L87-E91 PolarHBondContact O-N 2.96Å; E91-E93 PolarHBondContact O-N 2.95Å; E91-E93 VanDerWaalsContact O-N 3.16Å; E91-L94 HydrophobicContact CB-CB 3.99Å; E91-L94 PolarHBondContact O-N 3.38Å; E91-L94 VanDerWaalsContact O-N 3.14Å; E91-N132 PolarHBondContact OE2-ND2 3.19Å | ||
| 92 | P | 62.3 | Low | 59.5 | Low | 78 Ų | 78 | 85.1 Ų | 85.1 | 51% | 0.506 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.3 | -23 | 172.2 | 25.7 | -34.8 | 0 | 0 | 0 | 112.7 | Q96 | P92-Q96 WeakPolarHBondContact O-CG 3.13Å; P92-Q96 PolarHBondContact O-N 3.39Å |
| 93 | E | 52.5 | Low | 59.1 | Low | 130 Ų | 130 | 84.5 Ų | 84.5 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.4 | -41.4 | 175.7 | -68.1 | -173.3 | 98.4 | 0 | 0 | 111.3 | E91 L95 Q96 H97 | E91-E93 PolarHBondContact O-N 2.95Å; E91-E93 VanDerWaalsContact O-N 3.16Å; E93-L95 PolarHBondContact O-N 2.84Å; E93-Q96 CarbonylContact O-C 3.51Å; E93-Q96 WeakPolarHBondContact O-CA 3.44Å; E93-Q96 WeakPolarHBondContact O-CB 3.46Å; E93-Q96 PolarHBondContact O-N 2.76Å; E93-H97 PolarHBondContact O-CD2 3.36Å; E93-H97 PolarHBondContact O-N 3.08Å |
| 94 | L | 59.7 | Low | 59.1 | Low | 22 Ų | 22 | 82.6 Ų | 82.6 | 12% | 0.115 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | -179.6 | -171.4 | 133.3 | 0 | 0 | 0 | 112.4 | L87 E91 Q96 H97 F98 | L87-L94 HydrophobicContact CD2-CD2 3.68Å; L87-L94 HydrophobicContact CG-CD2 4.11Å; E91-L94 HydrophobicContact CB-CB 3.99Å; E91-L94 PolarHBondContact O-N 3.38Å; E91-L94 VanDerWaalsContact O-N 3.14Å; L94-Q96 VanDerWaalsContact C-N 3.33Å; L94-Q96 PolarHBondContact O-N 3.47Å; L94-H97 PolarHBondContact O-N 3.38Å; L94-F98 WeakPolarHBondContact O-CB 3.5Å; L94-F98 PolarHBondContact O-N 3.27Å |
| 95 | L | 61.5 | Low | 59 | Low | 57 Ų | 57 | 80 Ų | 80 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 170.5 | -84.7 | 176.6 | 0 | 0 | 0 | 112.5 | A88 E93 F98 H99 | A88-L95 HydrophobicContact CB-CD1 3.31Å; A88-L95 HydrophobicContact CB-CG 4.33Å; E93-L95 PolarHBondContact O-N 2.84Å; L95-F98 PolarHBondContact O-N 3.33Å; L95-H99 WeakPolarHBondContact O-CB 3.41Å; L95-H99 PolarHBondContact O-CD2 2.79Å; L95-H99 PolarHBondContact O-N 3.15Å |
| 96 | Q | 62.6 | Low | 58.3 | Low | 113 Ų | 113 | 79.9 Ų | 79.9 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 173.9 | -74.7 | -174.7 | -0.5 | 0 | 0 | 112 | P92 E93 L94 H99 K100 | P92-Q96 WeakPolarHBondContact O-CG 3.13Å; P92-Q96 PolarHBondContact O-N 3.39Å; E93-Q96 CarbonylContact O-C 3.51Å; E93-Q96 WeakPolarHBondContact O-CA 3.44Å; E93-Q96 WeakPolarHBondContact O-CB 3.46Å; E93-Q96 PolarHBondContact O-N 2.76Å; L94-Q96 VanDerWaalsContact C-N 3.33Å; L94-Q96 PolarHBondContact O-N 3.47Å; Q96-H99 PolarHBondContact O-N 3.47Å; Q96-K100 VanDerWaalsContact O-CB 3.29Å; Q96-K100 WeakPolarHBondContact O-CB 3.01Å; Q96-K100 VanDerWaalsContact O-CG 3.26Å; Q96-K100 WeakPolarHBondContact O-CG 3.44Å; Q96-K100 PolarHBondContact O-N 3.07Å |
| 97 | H | 61.5 | Low | 57.9 | Low | 35 Ų | 35 | 81.3 Ų | 81.3 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68 | -37 | 174.5 | -65.6 | -67.7 | 0 | 0 | 0 | 111.5 | E93 L94 K100 L101 D124 T125 | E93-H97 PolarHBondContact O-CD2 3.36Å; E93-H97 PolarHBondContact O-N 3.08Å; L94-H97 PolarHBondContact O-N 3.38Å; H97-K100 PolarHBondContact O-N 3.46Å; H97-L101 WeakPolarHBondContact O-CB 3.39Å; H97-L101 PolarHBondContact O-N 2.94Å; H97-D124 IonicContact CE1-OD1 2.65Å; H97-D124 PolarHBondContact CE1-OD1 2.8Å; H97-D124 IonicContact CG-OD1 2.75Å; H97-D124 IonicContact ND1-OD1 3.98Å; H97-D124 PolarHBondContact ND1-OD1 3.31Å; H97-D124 IonicContact NE2-OD1 2.76Å; H97-T125 PolarHBondContact O-OG1 2.87Å |
| 98 | F | 60.5 | Low | 57.6 | Low | 120 Ų | 120 | 81.5 Ų | 81.5 | 53% | 0.526 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 174 | -170.2 | -97.7 | 0 | 0 | 0 | 112 | L94 L95 L101 S102 | L94-F98 WeakPolarHBondContact O-CB 3.5Å; L94-F98 PolarHBondContact O-N 3.27Å; L95-F98 PolarHBondContact O-N 3.33Å; F98-L101 PolarHBondContact O-N 3.24Å; F98-S102 WeakPolarHBondContact O-CB 3.31Å; F98-S102 PolarHBondContact O-N 3.3Å |
| 99 | H | 60.5 | Low | 57.2 | Low | 133 Ų | 133 | 81.4 Ų | 81.4 | 62% | 0.616 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 173.3 | -95.7 | -80.1 | 0 | 0 | 0 | 112.4 | L95 Q96 L101 S102 E103 | L95-H99 WeakPolarHBondContact O-CB 3.41Å; L95-H99 PolarHBondContact O-CD2 2.79Å; L95-H99 PolarHBondContact O-N 3.15Å; Q96-H99 PolarHBondContact O-N 3.47Å; H99-L101 VanDerWaalsContact C-N 3.33Å; H99-S102 PolarHBondContact O-N 3.31Å; H99-E103 WeakPolarHBondContact O-CB 3.42Å; H99-E103 PolarHBondContact O-N 2.91Å |
| 100 | K | 62.3 | Low | 56.6 | Low | 114 Ų | 114 | 79.2 Ų | 79.2 | 50% | 0.496 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 175 | -79 | 174 | -179.1 | 168.8 | 0 | 111.8 | Q96 H97 E103 A104 C121 | Q96-K100 VanDerWaalsContact O-CB 3.29Å; Q96-K100 WeakPolarHBondContact O-CB 3.01Å; Q96-K100 VanDerWaalsContact O-CG 3.26Å; Q96-K100 WeakPolarHBondContact O-CG 3.44Å; Q96-K100 PolarHBondContact O-N 3.07Å; H97-K100 PolarHBondContact O-N 3.46Å; K100-E103 PolarHBondContact O-N 3.25Å; K100-A104 WeakPolarHBondContact O-CB 3.45Å; K100-A104 PolarHBondContact O-N 3.47Å; K100-C121 VanDerWaalsContact C-SG 3.55Å |
| 101 | L | 60.4 | Low | 56.5 | Low | 28 Ų | 28 | 77.9 Ų | 77.9 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 175.4 | -179.6 | 61.9 | 0 | 0 | 0 | 110.8 | H97 F98 H99 E103 A104 A105 F118 C121 L122 T125 | H97-L101 WeakPolarHBondContact O-CB 3.39Å; H97-L101 PolarHBondContact O-N 2.94Å; F98-L101 PolarHBondContact O-N 3.24Å; H99-L101 VanDerWaalsContact C-N 3.33Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-A104 PolarHBondContact O-N 3.28Å; L101-A105 WeakPolarHBondContact O-CB 3.26Å; L101-A105 PolarHBondContact O-N 2.91Å; L101-F118 HydrophobicContact CD1-CD2 3.95Å; L101-F118 HydrophobicContact CD1-CE2 3.59Å; L101-F118 HydrophobicContact CD1-CZ 4.4Å; L101-C121 PolarHBondContact N-SG 3.23Å; L101-L122 HydrophobicContact CD1-CB 3.87Å; L101-L122 HydrophobicContact CD1-CD1 3.98Å; L101-L122 HydrophobicContact CD1-CG 4.47Å; L101-L122 HydrophobicContact CD2-CD1 4.33Å; L101-T125 HydrophobicContact CD2-CG2 3.91Å |
| 102 | S | 57.4 | Low | 56.1 | Low | 77 Ų | 77 | 79.8 Ų | 79.8 | 54% | 0.538 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | F98 H99 G106 | F98-S102 WeakPolarHBondContact O-CB 3.31Å; F98-S102 PolarHBondContact O-N 3.3Å; H99-S102 PolarHBondContact O-N 3.31Å; S102-G106 PolarHBondContact O-N 3.38Å; S102-G106 VanDerWaalsContact O-N 3.08Å |
| 103 | E | 55.6 | Low | 56.1 | Low | 120 Ų | 120 | 78.7 Ų | 78.7 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.9 | -38.1 | 177 | -162.6 | -172.7 | 110.5 | 0 | 0 | 112.6 | H99 K100 L101 G106 K107 | H99-E103 WeakPolarHBondContact O-CB 3.42Å; H99-E103 PolarHBondContact O-N 2.91Å; K100-E103 PolarHBondContact O-N 3.25Å; L101-E103 VanDerWaalsContact C-N 3.34Å; E103-G106 PolarHBondContact O-N 2.86Å; E103-K107 HydrophobicContact CG-CD 4.42Å; E103-K107 WeakPolarHBondContact O-CG 3.46Å; E103-K107 PolarHBondContact O-N 3.22Å; E103-K107 IonicContact OE1-NZ 3.49Å; E103-K107 PolarHBondContact OE1-NZ 2.99Å |
| 104 | A | 56.5 | Low | 56.3 | Low | 16 Ų | 16 | 74.4 Ų | 74.4 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.5 | -35.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K100 L101 K107 V108 F118 C121 | K100-A104 WeakPolarHBondContact O-CB 3.45Å; K100-A104 PolarHBondContact O-N 3.47Å; L101-A104 PolarHBondContact O-N 3.28Å; A104-K107 CarbonylContact O-C 3.57Å; A104-K107 PolarHBondContact O-N 3.06Å; A104-V108 PolarHBondContact O-N 3.24Å; A104-F118 HydrophobicContact CB-CD2 4.41Å; A104-C121 HydrophobicContact CB-CB 4.16Å |
| 105 | A | 52.6 | Low | 55.9 | Low | 23 Ų | 23 | 77.6 Ų | 77.6 | 19% | 0.19 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L101 K107 V108 F118 | L101-A105 WeakPolarHBondContact O-CB 3.26Å; L101-A105 PolarHBondContact O-N 2.91Å; A105-K107 PolarHBondContact O-N 3.48Å; A105-V108 PolarHBondContact O-N 2.89Å; A105-F118 HydrophobicContact CB-CD2 4.07Å; A105-F118 HydrophobicContact CB-CE2 3.73Å |
| 106 | G | 49.2 | Very low | 55.8 | Low | 65 Ų | 65 | 81.3 Ų | 81.3 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -12.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | S102 E103 | S102-G106 PolarHBondContact O-N 3.38Å; S102-G106 VanDerWaalsContact O-N 3.08Å; E103-G106 PolarHBondContact O-N 2.86Å |
| 107 | K | 52.8 | Low | 56 | Low | 134 Ų | 134 | 82.7 Ų | 82.7 | 58% | 0.583 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 0.5 | 176.7 | -72.7 | 173 | -179.3 | 173.9 | 0 | 113.1 | E103 A104 A105 G109 | E103-K107 HydrophobicContact CG-CD 4.42Å; E103-K107 WeakPolarHBondContact O-CG 3.46Å; E103-K107 PolarHBondContact O-N 3.22Å; E103-K107 IonicContact OE1-NZ 3.49Å; E103-K107 PolarHBondContact OE1-NZ 2.99Å; A104-K107 CarbonylContact O-C 3.57Å; A104-K107 PolarHBondContact O-N 3.06Å; A105-K107 PolarHBondContact O-N 3.48Å; K107-G109 PolarHBondContact O-N 3.37Å; K107-G109 VanDerWaalsContact O-N 3.11Å |
| 108 | V | 47.9 | Very low | 56 | Low | 59 Ų | 59 | 83.5 Ų | 83.5 | 36% | 0.358 | 46% | 0.461 | S | S | . | . | trans | -73.6 | 107.5 | -177.2 | 102 | 0 | 0 | 0 | 0 | 109.1 | A104 A105 Q115 F118 | A104-V108 PolarHBondContact O-N 3.24Å; A105-V108 PolarHBondContact O-N 2.89Å; V108-Q115 HydrophobicContact CG2-CG 4.12Å; V108-F118 HydrophobicContact CB-CB 4.27Å; V108-F118 HydrophobicContact CB-CG 4.48Å; V108-F118 HydrophobicContact CG2-CB 3.43Å; V108-F118 VanDerWaalsContact CG2-CB 3.43Å; V108-F118 HydrophobicContact CG2-CD1 4.22Å; V108-F118 HydrophobicContact CG2-CG 3.88Å | ||
| 109 | G | 52.8 | Low | 56.2 | Low | 31 Ų | 31 | 80 Ų | 80 | 32% | 0.32 | 45% | 0.45 | S | S | . | . | trans | -103.2 | -171.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K107 D111 Q115 | K107-G109 PolarHBondContact O-N 3.37Å; K107-G109 VanDerWaalsContact O-N 3.11Å; G109-D111 PolarHBondContact O-N 2.77Å; G109-Q115 PolarHBondContact O-NE2 2.96Å | ||
| 110 | T | 47.8 | Very low | 56.4 | Low | 115 Ų | 115 | 77.3 Ų | 77.3 | 71% | 0.706 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -71.4 | -1.6 | 171.2 | 32 | 0 | 0 | 0 | 0 | 114.1 | P282 | T110-P282 HydrophobicContact CG2-CB 3.81Å; T110-P282 HydrophobicContact CG2-CG 4.09Å |
| 111 | D | 49.7 | Very low | 56.5 | Low | 98 Ų | 98 | 72.8 Ų | 72.8 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -80.7 | 130.6 | 177.5 | -161.2 | -81.6 | 0 | 0 | 0 | 111 | G109 A113 S114 Q115 | G109-D111 PolarHBondContact O-N 2.77Å; D111-A113 PolarHBondContact O-N 3.4Å; D111-A113 WeakPolarHBondContact OD1-CB 3.48Å; D111-A113 PolarHBondContact OD1-N 3.46Å; D111-S114 PolarHBondContact O-N 3.3Å; D111-S114 VanDerWaalsContact O-N 3.07Å; D111-Q115 PolarHBondContact O-N 2.88Å; D111-Q115 VanDerWaalsContact O-N 3.08Å |
| 112 | V | 52.8 | Low | 56.6 | Low | 107 Ų | 107 | 73.1 Ų | 73.1 | 65% | 0.648 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -57.1 | -32.3 | -179.4 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | Q116 | V112-Q116 WeakPolarHBondContact O-CB 3.32Å; V112-Q116 PolarHBondContact O-N 3.08Å |
| 113 | A | 61 | Low | 57 | Low | 55 Ų | 55 | 75.2 Ų | 75.2 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D111 Q116 E117 | D111-A113 PolarHBondContact O-N 3.4Å; D111-A113 WeakPolarHBondContact OD1-CB 3.48Å; D111-A113 PolarHBondContact OD1-N 3.46Å; A113-Q116 PolarHBondContact O-N 3.41Å; A113-E117 WeakPolarHBondContact O-CB 3.46Å; A113-E117 PolarHBondContact O-N 2.91Å |
| 114 | S | 56.6 | Low | 57.4 | Low | 41 Ų | 41 | 73.3 Ų | 73.3 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 178 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | D111 Q116 E117 F118 | D111-S114 PolarHBondContact O-N 3.3Å; D111-S114 VanDerWaalsContact O-N 3.07Å; S114-Q116 VanDerWaalsContact C-N 3.33Å; S114-E117 PolarHBondContact O-N 2.8Å; S114-F118 PolarHBondContact O-N 2.8Å |
| 115 | Q | 52.8 | Low | 57.8 | Low | 88 Ų | 88 | 73.5 Ų | 73.5 | 41% | 0.411 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 173.3 | -70.7 | -178.3 | 25.7 | 0 | 0 | 111.2 | V108 G109 D111 E117 F118 T119 | V108-Q115 HydrophobicContact CG2-CG 4.12Å; G109-Q115 PolarHBondContact O-NE2 2.96Å; D111-Q115 PolarHBondContact O-N 2.88Å; D111-Q115 VanDerWaalsContact O-N 3.08Å; Q115-E117 VanDerWaalsContact C-N 3.34Å; Q115-E117 PolarHBondContact O-N 2.93Å; Q115-F118 PolarHBondContact O-N 2.87Å; Q115-T119 WeakPolarHBondContact O-CB 3.47Å; Q115-T119 PolarHBondContact O-N 2.87Å; Q115-T119 PolarHBondContact O-OG1 2.86Å |
| 116 | Q | 59.3 | Low | 58 | Low | 135 Ų | 135 | 74 Ų | 74 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.1 | -34.7 | 177.2 | -163.8 | 179.8 | -42.6 | 0 | 0 | 112.2 | V112 A113 S114 S120 | V112-Q116 WeakPolarHBondContact O-CB 3.32Å; V112-Q116 PolarHBondContact O-N 3.08Å; A113-Q116 PolarHBondContact O-N 3.41Å; S114-Q116 VanDerWaalsContact C-N 3.33Å; Q116-S120 VanDerWaalsContact O-CB 3.26Å; Q116-S120 WeakPolarHBondContact O-CB 3.2Å; Q116-S120 PolarHBondContact O-N 3.1Å |
| 117 | E | 65.5 | Low | 58.6 | Low | 143 Ų | 143 | 72.2 Ų | 72.2 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.6 | -44.7 | 175.8 | -151.7 | 106.7 | -128.7 | 0 | 0 | 111.6 | A113 S114 Q115 S120 C121 | A113-E117 WeakPolarHBondContact O-CB 3.46Å; A113-E117 PolarHBondContact O-N 2.91Å; S114-E117 PolarHBondContact O-N 2.8Å; Q115-E117 VanDerWaalsContact C-N 3.34Å; Q115-E117 PolarHBondContact O-N 2.93Å; E117-S120 PolarHBondContact O-N 3.35Å; E117-C121 VanDerWaalsContact O-CB 3.28Å; E117-C121 WeakPolarHBondContact O-CB 3.49Å; E117-C121 PolarHBondContact O-N 3.06Å |
| 118 | F | 63.3 | Low | 59.2 | Low | 51 Ų | 51 | 66.8 Ų | 66.8 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 171.8 | 171.4 | -103.6 | 0 | 0 | 0 | 111.5 | L101 A104 A105 V108 S114 Q115 S120 C121 L122 | L101-F118 HydrophobicContact CD1-CD2 3.95Å; L101-F118 HydrophobicContact CD1-CE2 3.59Å; L101-F118 HydrophobicContact CD1-CZ 4.4Å; A104-F118 HydrophobicContact CB-CD2 4.41Å; A105-F118 HydrophobicContact CB-CD2 4.07Å; A105-F118 HydrophobicContact CB-CE2 3.73Å; V108-F118 HydrophobicContact CB-CB 4.27Å; V108-F118 HydrophobicContact CB-CG 4.48Å; V108-F118 HydrophobicContact CG2-CB 3.43Å; V108-F118 VanDerWaalsContact CG2-CB 3.43Å; V108-F118 HydrophobicContact CG2-CD1 4.22Å; V108-F118 HydrophobicContact CG2-CG 3.88Å; S114-F118 PolarHBondContact O-N 2.8Å; Q115-F118 PolarHBondContact O-N 2.87Å; F118-S120 VanDerWaalsContact C-N 3.34Å; F118-S120 PolarHBondContact O-N 2.95Å; F118-C121 PolarHBondContact O-N 2.73Å; F118-L122 HydrophobicContact CE1-CD1 4.34Å; F118-L122 HydrophobicContact CE2-CD1 4.42Å; F118-L122 HydrophobicContact CZ-CD1 3.87Å; F118-L122 WeakPolarHBondContact O-CB 3.39Å; F118-L122 PolarHBondContact O-N 3.27Å |
| 119 | T | 64.4 | Low | 59.7 | Low | 48 Ų | 48 | 66.8 Ų | 66.8 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | Q115 K123 I168 | Q115-T119 WeakPolarHBondContact O-CB 3.47Å; Q115-T119 PolarHBondContact O-N 2.87Å; Q115-T119 PolarHBondContact O-OG1 2.86Å; T119-K123 VanDerWaalsContact O-CB 3.26Å; T119-K123 WeakPolarHBondContact O-CB 3.13Å; T119-K123 PolarHBondContact O-N 3.22Å; T119-I168 HydrophobicContact CG2-CD1 3.1Å; T119-I168 HydrophobicContact CG2-CG1 4.43Å |
| 120 | S | 63.5 | Low | 60 | Low | 76 Ų | 76 | 66.9 Ų | 66.9 | 53% | 0.531 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 174.8 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | Q116 E117 F118 K123 D124 | Q116-S120 VanDerWaalsContact O-CB 3.26Å; Q116-S120 WeakPolarHBondContact O-CB 3.2Å; Q116-S120 PolarHBondContact O-N 3.1Å; E117-S120 PolarHBondContact O-N 3.35Å; F118-S120 VanDerWaalsContact C-N 3.34Å; F118-S120 PolarHBondContact O-N 2.95Å; S120-K123 PolarHBondContact O-N 3.43Å; S120-D124 VanDerWaalsContact O-CB 3.32Å; S120-D124 WeakPolarHBondContact O-CB 3.29Å; S120-D124 PolarHBondContact O-N 3.48Å |
| 121 | C | 64.6 | Low | 60.6 | Low | 19 Ų | 19 | 68.8 Ų | 68.8 | 13% | 0.128 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 178.6 | -162.9 | 0 | 0 | 0 | 0 | 111.7 | K100 L101 A104 E117 F118 K123 D124 T125 | K100-C121 VanDerWaalsContact C-SG 3.55Å; L101-C121 PolarHBondContact N-SG 3.23Å; A104-C121 HydrophobicContact CB-CB 4.16Å; E117-C121 VanDerWaalsContact O-CB 3.28Å; E117-C121 WeakPolarHBondContact O-CB 3.49Å; E117-C121 PolarHBondContact O-N 3.06Å; F118-C121 PolarHBondContact O-N 2.73Å; C121-K123 VanDerWaalsContact C-N 3.35Å; C121-D124 PolarHBondContact O-N 2.93Å; C121-T125 WeakPolarHBondContact O-CB 3.19Å; C121-T125 PolarHBondContact O-N 2.84Å; C121-T125 PolarHBondContact O-OG1 3.23Å |
| 122 | L | 62.6 | Low | 60.9 | Low | 35 Ų | 35 | 65.1 Ų | 65.1 | 18% | 0.183 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 174.6 | -174.3 | 106.3 | 0 | 0 | 0 | 110.6 | L101 F118 D124 T125 L126 I168 | L101-L122 HydrophobicContact CD1-CB 3.87Å; L101-L122 HydrophobicContact CD1-CD1 3.98Å; L101-L122 HydrophobicContact CD1-CG 4.47Å; L101-L122 HydrophobicContact CD2-CD1 4.33Å; F118-L122 HydrophobicContact CE1-CD1 4.34Å; F118-L122 HydrophobicContact CE2-CD1 4.42Å; F118-L122 HydrophobicContact CZ-CD1 3.87Å; F118-L122 WeakPolarHBondContact O-CB 3.39Å; F118-L122 PolarHBondContact O-N 3.27Å; L122-D124 VanDerWaalsContact C-N 3.32Å; L122-D124 PolarHBondContact O-N 3.46Å; L122-T125 PolarHBondContact O-N 2.76Å; L122-L126 HydrophobicContact CD2-CD1 3.78Å; L122-L126 HydrophobicContact CG-CD1 3.92Å; L122-L126 HydrophobicContact CG-CG 4.46Å; L122-L126 WeakPolarHBondContact O-CB 3.35Å; L122-L126 VanDerWaalsContact O-CG 3.25Å; L122-L126 WeakPolarHBondContact O-CG 3.41Å; L122-L126 PolarHBondContact O-N 3.48Å; L122-I168 HydrophobicContact CD2-CG2 3.71Å |
| 123 | K | 66.8 | Low | 61 | Low | 120 Ų | 120 | 60.9 Ų | 60.9 | 52% | 0.522 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 174.1 | -179.6 | 176.2 | 176 | 165.7 | 0 | 111.7 | T119 S120 C121 S127 | T119-K123 VanDerWaalsContact O-CB 3.26Å; T119-K123 WeakPolarHBondContact O-CB 3.13Å; T119-K123 PolarHBondContact O-N 3.22Å; S120-K123 PolarHBondContact O-N 3.43Å; C121-K123 VanDerWaalsContact C-N 3.35Å; K123-S127 WeakPolarHBondContact O-CB 3.41Å; K123-S127 PolarHBondContact O-N 2.75Å |
| 124 | D | 63.4 | Low | 60.5 | Low | 81 Ų | 81 | 65.1 Ų | 65.1 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.8 | -43.3 | 179.7 | -158 | -111.2 | 0 | 0 | 0 | 111.2 | H97 S120 C121 L122 S127 G128 | H97-D124 IonicContact CE1-OD1 2.65Å; H97-D124 PolarHBondContact CE1-OD1 2.8Å; H97-D124 IonicContact CG-OD1 2.75Å; H97-D124 IonicContact ND1-OD1 3.98Å; H97-D124 PolarHBondContact ND1-OD1 3.31Å; H97-D124 IonicContact NE2-OD1 2.76Å; S120-D124 VanDerWaalsContact O-CB 3.32Å; S120-D124 WeakPolarHBondContact O-CB 3.29Å; S120-D124 PolarHBondContact O-N 3.48Å; C121-D124 PolarHBondContact O-N 2.93Å; L122-D124 VanDerWaalsContact C-N 3.32Å; L122-D124 PolarHBondContact O-N 3.46Å; D124-S127 PolarHBondContact O-N 3.4Å; D124-G128 PolarHBondContact O-N 2.86Å |
| 125 | T | 65.3 | Low | 60.3 | Low | 19 Ų | 19 | 67.1 Ų | 67.1 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 171.9 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | H97 L101 C121 L122 S127 G128 L129 | H97-T125 PolarHBondContact O-OG1 2.87Å; L101-T125 HydrophobicContact CD2-CG2 3.91Å; C121-T125 WeakPolarHBondContact O-CB 3.19Å; C121-T125 PolarHBondContact O-N 2.84Å; C121-T125 PolarHBondContact O-OG1 3.23Å; L122-T125 PolarHBondContact O-N 2.76Å; T125-S127 VanDerWaalsContact C-N 3.31Å; T125-S127 PolarHBondContact O-N 3.25Å; T125-G128 PolarHBondContact O-N 3.24Å; T125-L129 VanDerWaalsContact O-CB 3.32Å; T125-L129 WeakPolarHBondContact O-CB 3.43Å; T125-L129 PolarHBondContact O-N 3.49Å |
| 126 | L | 56.2 | Low | 59.9 | Low | 34 Ų | 34 | 65 Ų | 65 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 176.7 | -77.6 | 169.3 | 0 | 0 | 0 | 111.6 | L122 L129 A130 L150 | L122-L126 HydrophobicContact CD2-CD1 3.78Å; L122-L126 HydrophobicContact CG-CD1 3.92Å; L122-L126 HydrophobicContact CG-CG 4.46Å; L122-L126 WeakPolarHBondContact O-CB 3.35Å; L122-L126 VanDerWaalsContact O-CG 3.25Å; L122-L126 WeakPolarHBondContact O-CG 3.41Å; L122-L126 PolarHBondContact O-N 3.48Å; L126-L129 PolarHBondContact O-N 2.83Å; L126-A130 WeakPolarHBondContact O-CB 3.28Å; L126-A130 PolarHBondContact O-N 2.85Å; L126-L150 HydrophobicContact CD2-CD1 4.45Å |
| 127 | S | 62.4 | Low | 59.4 | Low | 28 Ų | 28 | 62.6 Ų | 62.6 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.5 | -37 | 175.3 | -168.5 | 0 | 0 | 0 | 0 | 112.2 | K123 D124 T125 K131 | K123-S127 WeakPolarHBondContact O-CB 3.41Å; K123-S127 PolarHBondContact O-N 2.75Å; D124-S127 PolarHBondContact O-N 3.4Å; T125-S127 VanDerWaalsContact C-N 3.31Å; T125-S127 PolarHBondContact O-N 3.25Å; S127-K131 WeakPolarHBondContact O-CB 3.37Å; S127-K131 WeakPolarHBondContact O-CG 3.3Å; S127-K131 PolarHBondContact O-N 2.81Å |
| 128 | G | 63.6 | Low | 58.3 | Low | 20 Ų | 20 | 60.3 Ų | 60.3 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D124 T125 K131 N132 | D124-G128 PolarHBondContact O-N 2.86Å; T125-G128 PolarHBondContact O-N 3.24Å; G128-K131 PolarHBondContact O-N 3.5Å; G128-N132 PolarHBondContact O-N 2.89Å; G128-N132 VanDerWaalsContact O-N 3.14Å |
| 129 | L | 58.9 | Low | 57 | Low | 59 Ų | 59 | 60.8 Ų | 60.8 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 175.4 | -163.8 | 70.4 | 0 | 0 | 0 | 112.1 | T125 L126 N132 A133 L136 | T125-L129 VanDerWaalsContact O-CB 3.32Å; T125-L129 WeakPolarHBondContact O-CB 3.43Å; T125-L129 PolarHBondContact O-N 3.49Å; L126-L129 PolarHBondContact O-N 2.83Å; L129-N132 CarbonylContact O-C 3.22Å; L129-N132 VanDerWaalsContact O-C 3.22Å; L129-N132 WeakPolarHBondContact O-CA 3.3Å; L129-N132 PolarHBondContact O-N 3.22Å; L129-N132 VanDerWaalsContact O-N 3.12Å; L129-A133 PolarHBondContact O-N 3.4Å; L129-L136 HydrophobicContact CD1-CD1 3.35Å; L129-L136 HydrophobicContact CG-CD1 4.06Å |
| 130 | A | 60.2 | Low | 55.6 | Low | 33 Ų | 33 | 61.7 Ų | 61.7 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L126 N132 A133 L150 | L126-A130 WeakPolarHBondContact O-CB 3.28Å; L126-A130 PolarHBondContact O-N 2.85Å; A130-N132 PolarHBondContact O-N 3.02Å; A130-A133 WeakPolarHBondContact O-CB 3.44Å; A130-A133 PolarHBondContact O-N 3.31Å; A130-L150 HydrophobicContact CB-CD2 3.39Å; A130-L150 HydrophobicContact CB-CG 4.18Å |
| 131 | K | 60.4 | Low | 54.3 | Low | 155 Ų | 155 | 64.9 Ų | 64.9 | 67% | 0.674 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.8 | -25.6 | 174.5 | -80.8 | 173.1 | 174.4 | 168.7 | 0 | 111.9 | S127 G128 | S127-K131 WeakPolarHBondContact O-CB 3.37Å; S127-K131 WeakPolarHBondContact O-CG 3.3Å; S127-K131 PolarHBondContact O-N 2.81Å; G128-K131 PolarHBondContact O-N 3.5Å |
| 132 | N | 55.2 | Low | 53.4 | Low | 21 Ų | 21 | 64.5 Ų | 64.5 | 11% | 0.112 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 9.7 | 175.7 | -153.4 | -16.8 | 0 | 0 | 0 | 113.2 | E91 G128 L129 A130 D134 N135 L136 | E91-N132 PolarHBondContact OE2-ND2 3.19Å; G128-N132 PolarHBondContact O-N 2.89Å; G128-N132 VanDerWaalsContact O-N 3.14Å; L129-N132 CarbonylContact O-C 3.22Å; L129-N132 VanDerWaalsContact O-C 3.22Å; L129-N132 WeakPolarHBondContact O-CA 3.3Å; L129-N132 PolarHBondContact O-N 3.22Å; L129-N132 VanDerWaalsContact O-N 3.12Å; A130-N132 PolarHBondContact O-N 3.02Å; N132-D134 PolarHBondContact O-N 3.29Å; N132-N135 WeakPolarHBondContact O-CB 3.49Å; N132-N135 PolarHBondContact O-N 3.43Å; N132-N135 WeakPolarHBondContact OD1-CB 3.17Å; N132-L136 PolarHBondContact O-N 3.48Å; N132-L136 VanDerWaalsContact O-N 3.16Å |
| 133 | A | 55.7 | Low | 52.6 | Low | 18 Ų | 18 | 65 Ų | 65 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.8 | -30 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L129 A130 N135 L136 Q137 | L129-A133 PolarHBondContact O-N 3.4Å; A130-A133 WeakPolarHBondContact O-CB 3.44Å; A130-A133 PolarHBondContact O-N 3.31Å; A133-N135 VanDerWaalsContact C-N 3.25Å; A133-N135 PolarHBondContact O-N 3.44Å; A133-L136 PolarHBondContact O-N 3.04Å; A133-Q137 WeakPolarHBondContact O-CB 2.93Å; A133-Q137 PolarHBondContact O-N 3.21Å |
| 134 | D | 50.7 | Low | 51.8 | Low | 143 Ų | 143 | 66.5 Ų | 66.5 | 77% | 0.765 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.6 | -33.8 | 174.4 | -121.4 | -88.7 | 0 | 0 | 0 | 112.3 | N132 S138 | N132-D134 PolarHBondContact O-N 3.29Å; D134-S138 PolarHBondContact O-N 3.4Å; D134-S138 PolarHBondContact O-OG 3.49Å |
| 135 | N | 51.7 | Low | 51.4 | Low | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -81 | -39.2 | 176.6 | -157.9 | -50.6 | 0 | 0 | 0 | 111.6 | N132 A133 Q137 S138 A139 | N132-N135 WeakPolarHBondContact O-CB 3.49Å; N132-N135 PolarHBondContact O-N 3.43Å; N132-N135 WeakPolarHBondContact OD1-CB 3.17Å; A133-N135 VanDerWaalsContact C-N 3.25Å; A133-N135 PolarHBondContact O-N 3.44Å; N135-Q137 VanDerWaalsContact C-N 3.35Å; N135-Q137 PolarHBondContact O-N 3.4Å; N135-S138 VanDerWaalsContact CA-OG 3.25Å; N135-S138 WeakPolarHBondContact CA-OG 3.33Å; N135-S138 PolarHBondContact O-N 2.85Å; N135-S138 PolarHBondContact O-OG 3.01Å; N135-A139 PolarHBondContact O-N 2.95Å |
| 136 | L | 45 | Very low | 50.7 | Low | 43 Ų | 43 | 71.9 Ų | 71.9 | 23% | 0.225 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.8 | -30.8 | 178.4 | -118.9 | 135.6 | 0 | 0 | 0 | 113.4 | L129 N132 A133 A139 G140 L141 A142 | L129-L136 HydrophobicContact CD1-CD1 3.35Å; L129-L136 HydrophobicContact CG-CD1 4.06Å; N132-L136 PolarHBondContact O-N 3.48Å; N132-L136 VanDerWaalsContact O-N 3.16Å; A133-L136 PolarHBondContact O-N 3.04Å; L136-A139 PolarHBondContact O-N 3.35Å; L136-G140 PolarHBondContact O-N 3.4Å; L136-L141 HydrophobicContact CD2-CB 3.58Å; L136-L141 PolarHBondContact O-N 2.96Å; L136-A142 HydrophobicContact CB-CB 4Å; L136-A142 HydrophobicContact CD2-CB 3.97Å; L136-A142 PolarHBondContact O-N 3.48Å |
| 137 | Q | 47.3 | Very low | 50.7 | Low | 85 Ų | 85 | 71.3 Ų | 71.3 | 40% | 0.397 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.1 | -29.3 | 174.3 | -166 | 171.1 | -22.2 | 0 | 0 | 111.3 | A133 N135 G140 | A133-Q137 WeakPolarHBondContact O-CB 2.93Å; A133-Q137 PolarHBondContact O-N 3.21Å; N135-Q137 VanDerWaalsContact C-N 3.35Å; N135-Q137 PolarHBondContact O-N 3.4Å; Q137-G140 PolarHBondContact O-N 3.39Å |
| 138 | S | 42.3 | Very low | 50.3 | Low | 96 Ų | 96 | 77.4 Ų | 77.4 | 67% | 0.671 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -78.4 | -24.8 | 170.5 | 34.5 | 0 | 0 | 0 | 0 | 113.3 | D134 N135 G140 | D134-S138 PolarHBondContact O-N 3.4Å; D134-S138 PolarHBondContact O-OG 3.49Å; N135-S138 VanDerWaalsContact CA-OG 3.25Å; N135-S138 WeakPolarHBondContact CA-OG 3.33Å; N135-S138 PolarHBondContact O-N 2.85Å; N135-S138 PolarHBondContact O-OG 3.01Å; S138-G140 VanDerWaalsContact C-N 3.34Å |
| 139 | A | 36.7 | Very low | 50 | Low | 61 Ų | 61 | 79 Ų | 79 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -4.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N135 L136 L141 | N135-A139 PolarHBondContact O-N 2.95Å; L136-A139 PolarHBondContact O-N 3.35Å; A139-L141 VanDerWaalsContact C-N 3.27Å; A139-L141 HydrophobicContact CB-CD1 4.38Å; A139-L141 PolarHBondContact O-N 2.99Å |
| 140 | G | 34.8 | Very low | 49.9 | Very low | 67 Ų | 67 | 77.1 Ų | 77.1 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 7.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | L136 Q137 S138 | L136-G140 PolarHBondContact O-N 3.4Å; Q137-G140 PolarHBondContact O-N 3.39Å; S138-G140 VanDerWaalsContact C-N 3.34Å |
| 141 | L | 37.1 | Very low | 49.7 | Very low | 143 Ų | 143 | 83.4 Ų | 83.4 | 75% | 0.749 | 47% | 0.468 | S | S | * | . | trans | -89.7 | -26.7 | -179.3 | -93.7 | 111.5 | 0 | 0 | 0 | 113.6 | L136 A139 | L136-L141 HydrophobicContact CD2-CB 3.58Å; L136-L141 PolarHBondContact O-N 2.96Å; A139-L141 VanDerWaalsContact C-N 3.27Å; A139-L141 HydrophobicContact CB-CD1 4.38Å; A139-L141 PolarHBondContact O-N 2.99Å | ||
| 142 | A | 46.2 | Very low | 49.4 | Very low | 11 Ų | 11 | 79.4 Ų | 79.4 | 9% | 0.091 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -99.4 | 106.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L136 L146 | L136-A142 HydrophobicContact CB-CB 4Å; L136-A142 HydrophobicContact CD2-CB 3.97Å; L136-A142 PolarHBondContact O-N 3.48Å; A142-L146 HydrophobicContact CB-CD2 4.37Å |
| 143 | G | 45.4 | Very low | 49.2 | Very low | 45 Ų | 45 | 81.5 Ų | 81.5 | 46% | 0.464 | 48% | 0.482 | S | S | . | . | trans | -62.6 | 147.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | D145 L146 | G143-D145 PolarHBondContact O-N 3.13Å; G143-L146 WeakPolarHBondContact O-CB 3.42Å; G143-L146 PolarHBondContact O-N 3.25Å | ||
| 144 | E | 49.4 | Very low | 49.1 | Very low | 152 Ų | 152 | 83.5 Ų | 83.5 | 71% | 0.71 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -53.9 | -21.7 | 178.8 | -153.6 | 153.6 | 86.9 | 0 | 0 | 113 | K148 | E144-K148 VanDerWaalsContact O-CB 3.28Å; E144-K148 WeakPolarHBondContact O-CB 3.39Å; E144-K148 PolarHBondContact O-N 3.38Å |
| 145 | D | 54 | Low | 49.2 | Very low | 120 Ų | 120 | 79 Ų | 79 | 64% | 0.642 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.1 | -37.6 | 176 | -150.9 | -106 | 0 | 0 | 0 | 113.3 | G143 T149 | G143-D145 PolarHBondContact O-N 3.13Å; D145-T149 WeakPolarHBondContact O-CB 3.34Å; D145-T149 PolarHBondContact O-N 3.4Å; D145-T149 PolarHBondContact O-OG1 2.85Å |
| 146 | L | 51.7 | Low | 49 | Very low | 93 Ų | 93 | 81.2 Ų | 81.2 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70 | -44.3 | 179.2 | -171.6 | 110.6 | 0 | 0 | 0 | 110.9 | A142 G143 T149 L150 | A142-L146 HydrophobicContact CB-CD2 4.37Å; G143-L146 WeakPolarHBondContact O-CB 3.42Å; G143-L146 PolarHBondContact O-N 3.25Å; L146-T149 PolarHBondContact O-N 2.91Å; L146-L150 WeakPolarHBondContact O-CB 3.36Å; L146-L150 PolarHBondContact O-N 3.45Å |
| 147 | A | 55.2 | Low | 49.1 | Very low | 22 Ų | 22 | 87.9 Ų | 87.9 | 18% | 0.182 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T149 L150 E151 | A147-T149 VanDerWaalsContact C-N 3.34Å; A147-T149 PolarHBondContact O-N 3.31Å; A147-L150 WeakPolarHBondContact O-CB 3.34Å; A147-L150 PolarHBondContact O-N 3.39Å; A147-E151 WeakPolarHBondContact O-CB 3.44Å; A147-E151 PolarHBondContact O-N 2.94Å |
| 148 | K | 55.6 | Low | 49 | Very low | 156 Ų | 156 | 86.8 Ų | 86.8 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -34 | 177.5 | -168.8 | 171.4 | -172.8 | 168.6 | 0 | 113.2 | E144 G152 | E144-K148 VanDerWaalsContact O-CB 3.28Å; E144-K148 WeakPolarHBondContact O-CB 3.39Å; E144-K148 PolarHBondContact O-N 3.38Å; K148-G152 PolarHBondContact O-N 3.24Å |
| 149 | T | 56.3 | Low | 48.8 | Very low | 54 Ų | 54 | 85.4 Ų | 85.4 | 33% | 0.331 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | D145 L146 A147 G152 L153 | D145-T149 WeakPolarHBondContact O-CB 3.34Å; D145-T149 PolarHBondContact O-N 3.4Å; D145-T149 PolarHBondContact O-OG1 2.85Å; L146-T149 PolarHBondContact O-N 2.91Å; A147-T149 VanDerWaalsContact C-N 3.34Å; A147-T149 PolarHBondContact O-N 3.31Å; T149-G152 PolarHBondContact O-N 3.34Å; T149-L153 HydrophobicContact CG2-CD1 4.4Å; T149-L153 VanDerWaalsContact O-CD1 3.26Å; T149-L153 WeakPolarHBondContact O-CD1 3.34Å; T149-L153 WeakPolarHBondContact O-CG 3.37Å; T149-L153 PolarHBondContact O-N 3.44Å |
| 150 | L | 56.6 | Low | 49.2 | Very low | 18 Ų | 18 | 92.5 Ų | 92.5 | 9% | 0.094 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -65.7 | -37.6 | 176.2 | -128.2 | 58.2 | 0 | 0 | 0 | 113.3 | L126 A130 L146 A147 L153 | L126-L150 HydrophobicContact CD2-CD1 4.45Å; A130-L150 HydrophobicContact CB-CD2 3.39Å; A130-L150 HydrophobicContact CB-CG 4.18Å; L146-L150 WeakPolarHBondContact O-CB 3.36Å; L146-L150 PolarHBondContact O-N 3.45Å; A147-L150 WeakPolarHBondContact O-CB 3.34Å; A147-L150 PolarHBondContact O-N 3.39Å; L150-L153 HydrophobicContact CD1-CD1 4.19Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 2.72Å |
| 151 | E | 55.7 | Low | 49.3 | Very low | 166 Ų | 166 | 92.5 Ų | 92.5 | 78% | 0.776 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71 | -37 | 175.2 | -163.5 | 174.1 | 122.3 | 0 | 0 | 111.6 | A147 L153 G154 | A147-E151 WeakPolarHBondContact O-CB 3.44Å; A147-E151 PolarHBondContact O-N 2.94Å; E151-L153 PolarHBondContact O-N 2.97Å; E151-G154 PolarHBondContact O-N 3.03Å |
| 152 | G | 56 | Low | 49.6 | Very low | 70 Ų | 70 | 90 Ų | 90 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66 | -14.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K148 T149 | K148-G152 PolarHBondContact O-N 3.24Å; T149-G152 PolarHBondContact O-N 3.34Å |
| 153 | L | 49.9 | Very low | 49.2 | Very low | 65 Ų | 65 | 92.8 Ų | 92.8 | 34% | 0.34 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | 0.7 | -179.1 | -84.1 | 155.1 | 0 | 0 | 0 | 114.5 | T149 L150 E151 L155 I171 | T149-L153 HydrophobicContact CG2-CD1 4.4Å; T149-L153 VanDerWaalsContact O-CD1 3.26Å; T149-L153 WeakPolarHBondContact O-CD1 3.34Å; T149-L153 WeakPolarHBondContact O-CG 3.37Å; T149-L153 PolarHBondContact O-N 3.44Å; L150-L153 HydrophobicContact CD1-CD1 4.19Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 2.72Å; E151-L153 PolarHBondContact O-N 2.97Å; L153-L155 VanDerWaalsContact C-N 3.26Å; L153-L155 HydrophobicContact CB-CD1 3.68Å; L153-L155 PolarHBondContact O-N 3.37Å; L153-I171 HydrophobicContact CD1-CD1 3.37Å; L153-I171 HydrophobicContact CD1-CG1 3.76Å; L153-I171 HydrophobicContact CD2-CD1 3.52Å; L153-I171 HydrophobicContact CD2-CG1 3.92Å; L153-I171 HydrophobicContact CG-CD1 4.1Å; L153-I171 HydrophobicContact CG-CG1 4.46Å |
| 154 | G | 53 | Low | 49.2 | Very low | 60 Ų | 60 | 99.7 Ų | 99.7 | 62% | 0.619 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62 | 34.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E151 D156 | E151-G154 PolarHBondContact O-N 3.03Å; G154-D156 PolarHBondContact O-N 2.96Å |
| 155 | L | 54.1 | Low | 49 | Very low | 50 Ų | 50 | 99 Ų | 99 | 26% | 0.262 | 62% | 0.616 | S | S | . | * | trans | -72.6 | 4 | 169.5 | -92.5 | 95.4 | 0 | 0 | 0 | 113.2 | L153 E157 | L153-L155 VanDerWaalsContact C-N 3.26Å; L153-L155 HydrophobicContact CB-CD1 3.68Å; L153-L155 PolarHBondContact O-N 3.37Å; L155-E157 PolarHBondContact O-N 3.4Å | ||
| 156 | D | 46.1 | Very low | 48.8 | Very low | 129 Ų | 129 | 96.7 Ų | 96.7 | 69% | 0.69 | 62% | 0.621 | S | S | * | * | trans | -66.8 | 116 | 171.6 | -169.7 | -92.7 | 0 | 0 | 0 | 110.3 | G154 G158 G159 | G154-D156 PolarHBondContact O-N 2.96Å; D156-G158 PolarHBondContact O-N 2.91Å; D156-G158 PolarHBondContact OD1-N 2.66Å; D156-G158 VanDerWaalsContact OD1-N 3.15Å; D156-G159 PolarHBondContact O-N 3.24Å | ||
| 157 | E | 48.7 | Very low | 48.9 | Very low | 183 Ų | 183 | 95.7 Ų | 95.7 | 86% | 0.855 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 9.7 | -177.3 | -166.3 | 158.5 | 68 | 0 | 0 | 113.8 | L155 | L155-E157 PolarHBondContact O-N 3.4Š|
| 158 | G | 45 | Very low | 48.9 | Very low | 62 Ų | 62 | 96.4 Ų | 96.4 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -4.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D156 Q160 | D156-G158 PolarHBondContact O-N 2.91Å; D156-G158 PolarHBondContact OD1-N 2.66Å; D156-G158 VanDerWaalsContact OD1-N 3.15Å; G158-Q160 PolarHBondContact O-N 2.88Å |
| 159 | G | 36.6 | Very low | 49.2 | Very low | 66 Ų | 66 | 94.1 Ų | 94.1 | 68% | 0.68 | 61% | 0.611 | S | S | * | * | trans | -92.7 | 93.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | D156 G161 | D156-G159 PolarHBondContact O-N 3.24Å; G159-G161 VanDerWaalsContact C-N 3.28Å; G159-G161 PolarHBondContact O-N 3.5Å | ||
| 160 | Q | 46.2 | Very low | 49.7 | Very low | 210 Ų | 210 | 95 Ų | 95 | 98% | 0.981 | 62% | 0.617 | S | S | * | * | trans | -64.8 | 86.6 | 165.3 | -161.7 | 113.8 | 87.4 | 0 | 0 | 110.1 | G158 | G158-Q160 PolarHBondContact O-N 2.88Š| ||
| 161 | G | 36.8 | Very low | 50 | Low | 68 Ų | 68 | 95 Ų | 95 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | trans | -137.7 | 81.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G159 G163 | G159-G161 VanDerWaalsContact C-N 3.28Å; G159-G161 PolarHBondContact O-N 3.5Å; G161-G163 PolarHBondContact O-N 3.39Å | ||
| 162 | G | 44.3 | Very low | 50.4 | Low | 90 Ų | 90 | 90.7 Ų | 90.7 | 93% | 0.928 | 60% | 0.599 | S | S | * | * | trans | -68.7 | 123.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 163 | G | 37 | Very low | 50.9 | Low | 69 Ų | 69 | 92.7 Ų | 92.7 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | trans | 163.8 | 100.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | G161 | G161-G163 PolarHBondContact O-N 3.39Š| ||
| 164 | E | 44.2 | Very low | 51.8 | Low | 191 Ų | 191 | 91.4 Ų | 91.4 | 89% | 0.893 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 50.6 | 116.2 | 156.6 | -97.2 | 154.7 | 66.6 | 0 | 0 | 119.2 | ||
| 165 | D | 46.2 | Very low | 52.6 | Low | 136 Ų | 136 | 92.2 Ų | 92.2 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | trans | 55.2 | 90.5 | 156.3 | -109.8 | -110.4 | 0 | 0 | 0 | 116.3 | N167 | D165-N167 HydrophobicContact CB-CB 4.48Å; D165-N167 PolarHBondContact O-N 3Å | ||
| 166 | G | 49.4 | Very low | 53.4 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 74% | 0.742 | 58% | 0.575 | S | S | * | * | trans | -64.9 | 67.1 | 155 | 0 | 0 | 0 | 0 | 0 | 109.9 | I168 | G166-I168 WeakPolarHBondContact O-CD1 3.4Å; G166-I168 WeakPolarHBondContact O-CG1 3.47Å; G166-I168 PolarHBondContact O-N 3.21Å | ||
| 167 | N | 54.1 | Low | 54.6 | Low | 73 Ų | 73 | 90.4 Ų | 90.4 | 39% | 0.39 | 56% | 0.561 | S | S | . | * | trans | -69.8 | 100.5 | -174.3 | -165.7 | 29.4 | 0 | 0 | 0 | 107.4 | D165 L169 P170 | D165-N167 HydrophobicContact CB-CB 4.48Å; D165-N167 PolarHBondContact O-N 3Å; N167-L169 WeakPolarHBondContact OD1-CB 3.43Å; N167-L169 WeakPolarHBondContact OD1-CD1 3.2Å; N167-L169 WeakPolarHBondContact OD1-CG 3.23Å; N167-P170 WeakPolarHBondContact O-CD 3.42Å | ||
| 168 | I | 56.3 | Low | 55.8 | Low | 36 Ų | 36 | 86.4 Ų | 86.4 | 19% | 0.185 | 55% | 0.546 | C | S | . | . | trans | -82.4 | -6.9 | 179.2 | -73.2 | 143.8 | 0 | 0 | 0 | 111.1 | T119 L122 G166 I171 M172 | T119-I168 HydrophobicContact CG2-CD1 3.1Å; T119-I168 HydrophobicContact CG2-CG1 4.43Å; L122-I168 HydrophobicContact CD2-CG2 3.71Å; G166-I168 WeakPolarHBondContact O-CD1 3.4Å; G166-I168 WeakPolarHBondContact O-CG1 3.47Å; G166-I168 PolarHBondContact O-N 3.21Å; I168-I171 HydrophobicContact CB-CD1 4.4Å; I168-I171 HydrophobicContact CG1-CD1 4.1Å; I168-I171 HydrophobicContact CG2-CB 4.49Å; I168-I171 HydrophobicContact CG2-CD1 4.26Å; I168-I171 WeakPolarHBondContact O-CB 3.44Å; I168-I171 PolarHBondContact O-N 3.49Å; I168-M172 PolarHBondContact O-N 3.48Å | ||
| 169 | L | 61.4 | Low | 57.3 | Low | 109 Ų | 109 | 85.6 Ų | 85.6 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -51.3 | -43.4 | 173.5 | -63.4 | 179.1 | 0 | 0 | 0 | 114.2 | N167 I171 M172 Q173 | N167-L169 WeakPolarHBondContact OD1-CB 3.43Å; N167-L169 WeakPolarHBondContact OD1-CD1 3.2Å; N167-L169 WeakPolarHBondContact OD1-CG 3.23Å; L169-I171 VanDerWaalsContact C-N 3.3Å; L169-I171 PolarHBondContact O-N 3.24Å; L169-M172 PolarHBondContact O-N 3.37Å; L169-Q173 WeakPolarHBondContact O-CB 3.47Å; L169-Q173 PolarHBondContact O-N 2.8Å |
| 170 | P | 65.7 | Low | 59.2 | Low | 71 Ų | 71 | 83.1 Ų | 83.1 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -32 | 177.2 | -16.8 | 32.4 | 0 | 0 | 0 | 112.7 | N167 S174 | N167-P170 WeakPolarHBondContact O-CD 3.42Å; P170-S174 WeakPolarHBondContact O-CB 3.21Å; P170-S174 PolarHBondContact O-N 3.49Å |
| 171 | I | 63.6 | Low | 60.9 | Low | 20 Ų | 20 | 74.9 Ų | 74.9 | 10% | 0.103 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -71 | -47.7 | 176.7 | -47 | 176.4 | 0 | 0 | 0 | 109.7 | L153 I168 L169 Q173 S174 I175 | L153-I171 HydrophobicContact CD1-CD1 3.37Å; L153-I171 HydrophobicContact CD1-CG1 3.76Å; L153-I171 HydrophobicContact CD2-CD1 3.52Å; L153-I171 HydrophobicContact CD2-CG1 3.92Å; L153-I171 HydrophobicContact CG-CD1 4.1Å; L153-I171 HydrophobicContact CG-CG1 4.46Å; I168-I171 HydrophobicContact CB-CD1 4.4Å; I168-I171 HydrophobicContact CG1-CD1 4.1Å; I168-I171 HydrophobicContact CG2-CB 4.49Å; I168-I171 HydrophobicContact CG2-CD1 4.26Å; I168-I171 WeakPolarHBondContact O-CB 3.44Å; I168-I171 PolarHBondContact O-N 3.49Å; L169-I171 VanDerWaalsContact C-N 3.3Å; L169-I171 PolarHBondContact O-N 3.24Å; I171-Q173 VanDerWaalsContact C-N 3.25Å; I171-Q173 PolarHBondContact O-N 3.17Å; I171-S174 WeakPolarHBondContact O-CB 3.25Å; I171-S174 PolarHBondContact O-N 2.79Å; I171-S174 VanDerWaalsContact O-N 3.13Å; I171-I175 HydrophobicContact CG2-CD1 3.96Å; I171-I175 HydrophobicContact CG2-CG1 4.48Å; I171-I175 WeakPolarHBondContact O-CG1 3.49Å; I171-I175 PolarHBondContact O-N 3.08Å |
| 172 | M | 63.5 | Low | 63.1 | Low | 75 Ų | 75 | 74 Ų | 74 | 37% | 0.369 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 178.1 | -164.8 | 175.9 | 81 | 0 | 0 | 110.7 | I168 L169 I175 M176 L281 | I168-M172 PolarHBondContact O-N 3.48Å; L169-M172 PolarHBondContact O-N 3.37Å; M172-I175 PolarHBondContact O-N 3.36Å; M172-M176 HydrophobicContact CE-CE 3.9Å; M172-M176 HydrophobicContact CG-CE 4.02Å; M172-M176 WeakPolarHBondContact O-CB 3.2Å; M172-M176 WeakPolarHBondContact O-CG 3.46Å; M172-M176 PolarHBondContact O-N 3.35Å; M172-M176 HydrophobicContact SD-CE 4.25Å; M172-L281 HydrophobicContact CE-CD2 4.39Å |
| 173 | Q | 65.9 | Low | 64.8 | Low | 111 Ų | 111 | 77.4 Ų | 77.4 | 52% | 0.519 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 173.8 | -174.4 | 168.5 | 47.7 | 0 | 0 | 112.1 | L169 I171 I175 M176 Q177 | L169-Q173 WeakPolarHBondContact O-CB 3.47Å; L169-Q173 PolarHBondContact O-N 2.8Å; I171-Q173 VanDerWaalsContact C-N 3.25Å; I171-Q173 PolarHBondContact O-N 3.17Å; Q173-I175 VanDerWaalsContact C-N 3.35Å; Q173-I175 PolarHBondContact O-N 3.29Å; Q173-M176 PolarHBondContact O-N 2.83Å; Q173-Q177 WeakPolarHBondContact O-CB 3.47Å; Q173-Q177 VanDerWaalsContact O-CG 3.31Å; Q173-Q177 WeakPolarHBondContact O-CG 3.1Å; Q173-Q177 PolarHBondContact O-N 3.31Å |
| 174 | S | 69.5 | Low | 66.8 | Low | 39 Ų | 39 | 77 Ų | 77 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 176.4 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | P170 I171 Q177 N178 | P170-S174 WeakPolarHBondContact O-CB 3.21Å; P170-S174 PolarHBondContact O-N 3.49Å; I171-S174 WeakPolarHBondContact O-CB 3.25Å; I171-S174 PolarHBondContact O-N 2.79Å; I171-S174 VanDerWaalsContact O-N 3.13Å; S174-Q177 PolarHBondContact O-N 3.16Å; S174-N178 PolarHBondContact O-N 2.79Å; S174-N178 VanDerWaalsContact O-N 3.13Å; S174-N178 PolarHBondContact O-ND2 3.47Å |
| 175 | I | 70.9 | Confident | 68.6 | Low | 76 Ų | 76 | 68 Ų | 68 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 175.7 | -69.3 | 169.3 | 0 | 0 | 0 | 109.7 | I171 M172 Q173 Q177 N178 L179 | I171-I175 HydrophobicContact CG2-CD1 3.96Å; I171-I175 HydrophobicContact CG2-CG1 4.48Å; I171-I175 WeakPolarHBondContact O-CG1 3.49Å; I171-I175 PolarHBondContact O-N 3.08Å; M172-I175 PolarHBondContact O-N 3.36Å; Q173-I175 VanDerWaalsContact C-N 3.35Å; Q173-I175 PolarHBondContact O-N 3.29Å; I175-Q177 VanDerWaalsContact C-N 3.3Å; I175-Q177 PolarHBondContact O-N 3.06Å; I175-N178 PolarHBondContact O-N 3.48Å; I175-L179 HydrophobicContact CG2-CD1 3.5Å; I175-L179 VanDerWaalsContact CG2-CD1 3.5Å; I175-L179 WeakPolarHBondContact O-CD1 3.21Å; I175-L179 PolarHBondContact O-N 2.87Å |
| 176 | M | 69.3 | Low | 70.5 | Confident | 54 Ų | 54 | 64 Ų | 64 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58 | -41.2 | 176.2 | -74.8 | 178.8 | -179 | 0 | 0 | 112.2 | M172 Q173 N178 L179 L180 L281 | M172-M176 HydrophobicContact CE-CE 3.9Å; M172-M176 HydrophobicContact CG-CE 4.02Å; M172-M176 WeakPolarHBondContact O-CB 3.2Å; M172-M176 WeakPolarHBondContact O-CG 3.46Å; M172-M176 PolarHBondContact O-N 3.35Å; M172-M176 HydrophobicContact SD-CE 4.25Å; Q173-M176 PolarHBondContact O-N 2.83Å; M176-N178 VanDerWaalsContact C-N 3.29Å; M176-N178 PolarHBondContact O-N 3.14Å; M176-L179 PolarHBondContact O-N 3.41Å; M176-L180 VanDerWaalsContact O-CB 3.25Å; M176-L180 WeakPolarHBondContact O-CB 3.5Å; M176-L180 WeakPolarHBondContact O-CG 3.15Å; M176-L180 PolarHBondContact O-N 3.34Å; M176-L281 HydrophobicContact CE-CD1 4.22Å |
| 177 | Q | 71.1 | Confident | 72.2 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 41% | 0.407 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 175.1 | -77.7 | 176 | 6.2 | 0 | 0 | 112.7 | Q173 S174 I175 S181 F244 | Q173-Q177 WeakPolarHBondContact O-CB 3.47Å; Q173-Q177 VanDerWaalsContact O-CG 3.31Å; Q173-Q177 WeakPolarHBondContact O-CG 3.1Å; Q173-Q177 PolarHBondContact O-N 3.31Å; S174-Q177 PolarHBondContact O-N 3.16Å; I175-Q177 VanDerWaalsContact C-N 3.3Å; I175-Q177 PolarHBondContact O-N 3.06Å; Q177-S181 PolarHBondContact O-N 3.24Å; Q177-F244 HydrophobicContact CB-CE2 4.16Å; Q177-F244 HydrophobicContact CB-CZ 4.27Å; Q177-F244 HydrophobicContact CG-CD1 4.3Å; Q177-F244 HydrophobicContact CG-CD2 4.19Å; Q177-F244 HydrophobicContact CG-CE1 3.74Å; Q177-F244 HydrophobicContact CG-CE2 3.63Å; Q177-F244 HydrophobicContact CG-CZ 3.37Å |
| 178 | N | 75.4 | Confident | 73.6 | Confident | 100 Ų | 100 | 62 Ų | 62 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.8 | -44.7 | 176.9 | -83 | -81.7 | 0 | 0 | 0 | 112.3 | S174 I175 M176 S181 | S174-N178 PolarHBondContact O-N 2.79Å; S174-N178 VanDerWaalsContact O-N 3.13Å; S174-N178 PolarHBondContact O-ND2 3.47Å; I175-N178 PolarHBondContact O-N 3.48Å; M176-N178 VanDerWaalsContact C-N 3.29Å; M176-N178 PolarHBondContact O-N 3.14Å; N178-S181 VanDerWaalsContact O-CB 3.24Å; N178-S181 WeakPolarHBondContact O-CB 3.3Å; N178-S181 PolarHBondContact O-N 2.89Å; N178-S181 PolarHBondContact O-OG 3.42Å |
| 179 | L | 75.4 | Confident | 74.9 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 179.6 | -83.6 | 80.8 | 0 | 0 | 0 | 112.1 | I175 M176 S181 G271 L272 | I175-L179 HydrophobicContact CG2-CD1 3.5Å; I175-L179 VanDerWaalsContact CG2-CD1 3.5Å; I175-L179 WeakPolarHBondContact O-CD1 3.21Å; I175-L179 PolarHBondContact O-N 2.87Å; M176-L179 PolarHBondContact O-N 3.41Å; L179-S181 PolarHBondContact O-N 2.94Å; L179-G271 WeakPolarHBondContact CD2-O 3.46Å; L179-L272 HydrophobicContact CB-CD1 4.44Å; L179-L272 HydrophobicContact CB-CG 4.37Å; L179-L272 HydrophobicContact CD2-CG 4.11Å |
| 180 | L | 76.9 | Confident | 76.2 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 8.5 | 178.1 | -58.3 | 177.1 | 0 | 0 | 0 | 112.7 | M176 L185 F229 F244 L248 M251 L272 | M176-L180 VanDerWaalsContact O-CB 3.25Å; M176-L180 WeakPolarHBondContact O-CB 3.5Å; M176-L180 WeakPolarHBondContact O-CG 3.15Å; M176-L180 PolarHBondContact O-N 3.34Å; L180-L185 HydrophobicContact CB-CD2 4.33Å; L180-L185 HydrophobicContact CD2-CD2 3.67Å; L180-F229 WeakPolarHBondContact O-CE1 3.45Å; L180-F229 VanDerWaalsContact O-CZ 3.24Å; L180-F229 WeakPolarHBondContact O-CZ 3.24Å; L180-F244 HydrophobicContact CB-CE2 4.07Å; L180-F244 HydrophobicContact CD1-CE2 3.98Å; L180-F244 HydrophobicContact CD1-CZ 4.29Å; L180-L248 HydrophobicContact CD1-CD1 3.86Å; L180-M251 HydrophobicContact CD2-CG 4.04Å; L180-M251 HydrophobicContact CD2-SD 4.5Å; L180-L272 HydrophobicContact CD2-CD2 4.34Å |
| 181 | S | 81.8 | Confident | 77.2 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -66.2 | 149.9 | 175.1 | 69.7 | 0 | 0 | 0 | 0 | 110.5 | Q177 N178 L179 E183 V184 L185 | Q177-S181 PolarHBondContact O-N 3.24Å; N178-S181 VanDerWaalsContact O-CB 3.24Å; N178-S181 WeakPolarHBondContact O-CB 3.3Å; N178-S181 PolarHBondContact O-N 2.89Å; N178-S181 PolarHBondContact O-OG 3.42Å; L179-S181 PolarHBondContact O-N 2.94Å; S181-E183 VanDerWaalsContact C-N 3.25Å; S181-E183 PolarHBondContact O-N 3.36Å; S181-V184 PolarHBondContact O-N 3.07Å; S181-V184 VanDerWaalsContact O-N 3.15Å; S181-V184 WeakPolarHBondContact OG-CG2 3.5Å; S181-L185 WeakPolarHBondContact O-CB 3.46Å; S181-L185 PolarHBondContact O-N 2.78Å |
| 182 | K | 82.5 | Confident | 78.2 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 22% | 0.217 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -51.1 | -47 | 176.6 | 178.9 | 171.8 | 175.6 | 171.1 | 0 | 111.8 | V184 Y186 F229 | K182-V184 PolarHBondContact O-N 3.07Å; K182-Y186 HydrophobicContact CG-CG 4.35Å; K182-Y186 WeakPolarHBondContact O-CB 3.41Å; K182-Y186 PolarHBondContact O-N 3.12Å; K182-F229 HydrophobicContact CB-CD1 3.52Å; K182-F229 HydrophobicContact CB-CE1 3.92Å; K182-F229 HydrophobicContact CB-CG 4.25Å; K182-F229 HydrophobicContact CD-CB 4.2Å; K182-F229 HydrophobicContact CD-CD1 4.46Å; K182-F229 WeakPolarHBondContact CD-O 3.35Å; K182-F229 VanDerWaalsContact CE-O 3.28Å; K182-F229 WeakPolarHBondContact CE-O 3.25Å; K182-F229 HydrophobicContact CG-CB 4.06Å; K182-F229 HydrophobicContact CG-CD1 3.95Å; K182-F229 HydrophobicContact CG-CG 4.2Å; K182-F229 PolarHBondContact NZ-O 2.9Å |
| 183 | E | 80.2 | Confident | 79.4 | Confident | 162 Ų | 162 | 56 Ų | 56 | 76% | 0.757 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.1 | -30.2 | -175.1 | -58.1 | -64.6 | 106.1 | 0 | 0 | 113 | S181 | S181-E183 VanDerWaalsContact C-N 3.25Å; S181-E183 PolarHBondContact O-N 3.36Å |
| 184 | V | 79.6 | Confident | 80.5 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -95.8 | -49.5 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | S181 K182 P269 | S181-V184 PolarHBondContact O-N 3.07Å; S181-V184 VanDerWaalsContact O-N 3.15Å; S181-V184 WeakPolarHBondContact OG-CG2 3.5Å; K182-V184 PolarHBondContact O-N 3.07Å; V184-P269 HydrophobicContact CG1-CB 4.41Å; V184-P269 HydrophobicContact CG1-CG 4.36Å |
| 185 | L | 82.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -88 | -37.2 | -169.4 | 179.4 | 64.2 | 0 | 0 | 0 | 113.4 | L180 S181 S188 L189 F229 M251 L272 | L180-L185 HydrophobicContact CB-CD2 4.33Å; L180-L185 HydrophobicContact CD2-CD2 3.67Å; S181-L185 WeakPolarHBondContact O-CB 3.46Å; S181-L185 PolarHBondContact O-N 2.78Å; L185-S188 PolarHBondContact O-N 3.41Å; L185-L189 HydrophobicContact CD1-CD1 3.78Å; L185-L189 HydrophobicContact CD1-CD2 4.37Å; L185-L189 HydrophobicContact CD1-CG 3.68Å; L185-L189 HydrophobicContact CD2-CD1 3.8Å; L185-L189 HydrophobicContact CG-CD1 3.49Å; L185-L189 VanDerWaalsContact CG-CD1 3.49Å; L185-L189 HydrophobicContact CG-CG 3.87Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 PolarHBondContact O-N 3.28Å; L185-F229 HydrophobicContact CB-CE2 4.33Å; L185-F229 HydrophobicContact CB-CZ 4.27Å; L185-F229 HydrophobicContact CD2-CE2 3.86Å; L185-F229 HydrophobicContact CD2-CZ 3.86Å; L185-F229 HydrophobicContact CG-CE2 4.11Å; L185-F229 HydrophobicContact CG-CZ 4.36Å; L185-M251 HydrophobicContact CD1-CE 4.06Å; L185-M251 HydrophobicContact CD2-CE 3.65Å; L185-M251 HydrophobicContact CG-CE 4.32Å; L185-L272 HydrophobicContact CB-CD1 4.44Å; L185-L272 HydrophobicContact CD1-CD1 3.61Å; L185-L272 HydrophobicContact CD1-CD2 4.29Å |
| 186 | Y | 85.1 | Confident | 82.3 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 21% | 0.208 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -49.3 | -176.3 | 179.3 | -108.5 | 0 | 0 | 0 | 114.2 | K182 S188 L189 K190 C226 F229 E230 | K182-Y186 HydrophobicContact CG-CG 4.35Å; K182-Y186 WeakPolarHBondContact O-CB 3.41Å; K182-Y186 PolarHBondContact O-N 3.12Å; Y186-S188 PolarHBondContact O-N 3.45Å; Y186-L189 PolarHBondContact O-N 3.18Å; Y186-K190 HydrophobicContact CE2-CD 4.34Å; Y186-K190 VanDerWaalsContact O-CB 3.26Å; Y186-K190 WeakPolarHBondContact O-CB 3.32Å; Y186-K190 PolarHBondContact O-N 2.8Å; Y186-C226 HydrophobicContact CD2-CB 4.4Å; Y186-C226 HydrophobicContact CE2-CB 4.02Å; Y186-F229 HydrophobicContact CD2-CB 3.48Å; Y186-F229 VanDerWaalsContact CD2-CB 3.48Å; Y186-F229 AromaticContact CD2-CD2 3.9Å; Y186-F229 HydrophobicContact CD2-CD2 3.9Å; Y186-F229 HydrophobicContact CD2-CG 4.06Å; Y186-F229 HydrophobicContact CE2-CB 4.11Å; Y186-F229 HydrophobicContact CG-CB 4.08Å; Y186-F229 HydrophobicContact CG-CD2 4.41Å; Y186-F229 HydrophobicContact CG-CG 4.48Å; Y186-E230 HydrophobicContact CE2-CG 3.75Å; Y186-E230 VanDerWaalsContact OH-CG 3.22Å; Y186-E230 WeakPolarHBondContact OH-CG 3.5Å; Y186-E230 PolarHBondContact OH-OE1 2.81Å |
| 187 | P | 85.2 | Confident | 83.4 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | -177.3 | 22.6 | -32.6 | 0 | 0 | 0 | 111.7 | K190 E191 | P187-K190 PolarHBondContact O-N 2.96Å; P187-E191 PolarHBondContact O-N 3.36Å; P187-E191 VanDerWaalsContact O-N 3.15Å |
| 188 | S | 83.4 | Confident | 84.3 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 178 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | L185 Y186 K190 E191 I192 | L185-S188 PolarHBondContact O-N 3.41Å; Y186-S188 PolarHBondContact O-N 3.45Å; S188-K190 VanDerWaalsContact C-N 3.35Å; S188-K190 PolarHBondContact O-N 3.43Å; S188-E191 PolarHBondContact O-N 2.97Å; S188-I192 WeakPolarHBondContact O-CD1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.45Å; S188-I192 PolarHBondContact O-N 3.01Å; S188-I192 VanDerWaalsContact O-N 3.15Å |
| 189 | L | 85.1 | Confident | 85 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 178.4 | -79.9 | -179.3 | 0 | 0 | 0 | 112.7 | L185 Y186 I192 T193 M222 I225 F229 M251 F274 | L185-L189 HydrophobicContact CD1-CD1 3.78Å; L185-L189 HydrophobicContact CD1-CD2 4.37Å; L185-L189 HydrophobicContact CD1-CG 3.68Å; L185-L189 HydrophobicContact CD2-CD1 3.8Å; L185-L189 HydrophobicContact CG-CD1 3.49Å; L185-L189 VanDerWaalsContact CG-CD1 3.49Å; L185-L189 HydrophobicContact CG-CG 3.87Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 PolarHBondContact O-N 3.28Å; Y186-L189 PolarHBondContact O-N 3.18Å; L189-I192 PolarHBondContact O-N 2.99Å; L189-T193 VanDerWaalsContact O-CB 3.31Å; L189-T193 WeakPolarHBondContact O-CB 3.45Å; L189-T193 PolarHBondContact O-N 2.98Å; L189-T193 PolarHBondContact O-OG1 3.13Å; L189-M222 HydrophobicContact CD2-CE 4.36Å; L189-M222 HydrophobicContact CD2-CG 4.11Å; L189-I225 HydrophobicContact CD1-CB 4.07Å; L189-I225 HydrophobicContact CD1-CG2 3.39Å; L189-F229 HydrophobicContact CD1-CE2 4.36Å; L189-M251 HydrophobicContact CD1-CE 3.51Å; L189-M251 HydrophobicContact CD2-CE 3.92Å; L189-M251 HydrophobicContact CG-CE 4.2Å; L189-F274 HydrophobicContact CD2-CZ 4.11Å |
| 190 | K | 87.4 | Confident | 85.7 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | -178.7 | -172.6 | 71.5 | 178.2 | -162.9 | 0 | 110.4 | Y186 P187 S188 I192 T193 E194 C226 E230 | Y186-K190 HydrophobicContact CE2-CD 4.34Å; Y186-K190 VanDerWaalsContact O-CB 3.26Å; Y186-K190 WeakPolarHBondContact O-CB 3.32Å; Y186-K190 PolarHBondContact O-N 2.8Å; P187-K190 PolarHBondContact O-N 2.96Å; S188-K190 VanDerWaalsContact C-N 3.35Å; S188-K190 PolarHBondContact O-N 3.43Å; K190-I192 PolarHBondContact O-N 3.16Å; K190-T193 PolarHBondContact O-N 2.87Å; K190-E194 WeakPolarHBondContact O-CG 3.36Å; K190-E194 PolarHBondContact O-N 3.19Å; K190-C226 HydrophobicContact CD-CB 4.34Å; K190-E230 IonicContact NZ-OE1 2.74Å; K190-E230 PolarHBondContact NZ-OE1 2.97Å; K190-E230 IonicContact NZ-OE2 2.81Å |
| 191 | E | 86.4 | Confident | 86.4 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 178.7 | -170.9 | -176.7 | 135.9 | 0 | 0 | 112.1 | P187 S188 T193 E194 K195 | P187-E191 PolarHBondContact O-N 3.36Å; P187-E191 VanDerWaalsContact O-N 3.15Å; S188-E191 PolarHBondContact O-N 2.97Å; E191-T193 PolarHBondContact O-N 3.48Å; E191-E194 PolarHBondContact O-N 2.96Å; E191-K195 HydrophobicContact CG-CD 4.4Å; E191-K195 WeakPolarHBondContact O-CG 3.46Å; E191-K195 PolarHBondContact O-N 3.34Å; E191-K195 IonicContact OE1-NZ 3.98Å; E191-K195 PolarHBondContact OE1-NZ 3.27Å |
| 192 | I | 85.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 177.4 | -65.4 | 167.9 | 0 | 0 | 0 | 110.3 | S188 L189 K190 E194 K195 Y196 M222 L264 F274 | S188-I192 WeakPolarHBondContact O-CD1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.45Å; S188-I192 PolarHBondContact O-N 3.01Å; S188-I192 VanDerWaalsContact O-N 3.15Å; L189-I192 PolarHBondContact O-N 2.99Å; K190-I192 PolarHBondContact O-N 3.16Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.02Å; I192-K195 PolarHBondContact O-N 3.43Å; I192-Y196 HydrophobicContact CG2-CD2 3.67Å; I192-Y196 HydrophobicContact CG2-CE2 3.65Å; I192-Y196 WeakPolarHBondContact O-CD2 3.24Å; I192-Y196 PolarHBondContact O-N 3.45Å; I192-M222 HydrophobicContact CG2-CE 4.07Å; I192-M222 HydrophobicContact CG2-SD 3.81Å; I192-L264 WeakPolarHBondContact CG1-O 3.12Å; I192-L264 HydrophobicContact CG2-CB 4.41Å; I192-F274 HydrophobicContact CD1-CE2 4.11Å |
| 193 | T | 88.2 | Confident | 87.1 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -40 | -179.3 | -55 | 0 | 0 | 0 | 0 | 111.4 | L189 K190 E191 K195 Y196 P197 H219 M222 | L189-T193 VanDerWaalsContact O-CB 3.31Å; L189-T193 WeakPolarHBondContact O-CB 3.45Å; L189-T193 PolarHBondContact O-N 2.98Å; L189-T193 PolarHBondContact O-OG1 3.13Å; K190-T193 PolarHBondContact O-N 2.87Å; E191-T193 PolarHBondContact O-N 3.48Å; T193-K195 VanDerWaalsContact C-N 3.35Å; T193-K195 PolarHBondContact O-N 3.48Å; T193-Y196 PolarHBondContact O-N 2.88Å; T193-P197 VanDerWaalsContact O-CD 3.23Å; T193-P197 WeakPolarHBondContact O-CD 3.4Å; T193-H219 PolarHBondContact O-CD2 3.18Å; T193-H219 PolarHBondContact O-NE2 2.9Å; T193-M222 WeakPolarHBondContact OG1-CB 3.11Å |
| 194 | E | 90.1 | Very high | 87.4 | Confident | 135 Ų | 135 | 61.7 Ų | 61.7 | 63% | 0.631 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.3 | -32.3 | 178.5 | -71.8 | -174.8 | 116.4 | 0 | 0 | 113.1 | K190 E191 I192 P197 | K190-E194 WeakPolarHBondContact O-CG 3.36Å; K190-E194 PolarHBondContact O-N 3.19Å; E191-E194 PolarHBondContact O-N 2.96Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.02Å; E194-P197 WeakPolarHBondContact O-CD 3.34Å |
| 195 | K | 88.7 | Confident | 87.8 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -81.9 | -25.6 | 178.5 | -69.1 | 174 | 176.6 | 171.6 | 0 | 113.6 | E191 I192 T193 E198 W199 L264 | E191-K195 HydrophobicContact CG-CD 4.4Å; E191-K195 WeakPolarHBondContact O-CG 3.46Å; E191-K195 PolarHBondContact O-N 3.34Å; E191-K195 IonicContact OE1-NZ 3.98Å; E191-K195 PolarHBondContact OE1-NZ 3.27Å; I192-K195 PolarHBondContact O-N 3.43Å; T193-K195 VanDerWaalsContact C-N 3.35Å; T193-K195 PolarHBondContact O-N 3.48Å; K195-E198 PolarHBondContact O-N 3.37Å; K195-W199 PolarHBondContact O-N 3.06Å; K195-L264 HydrophobicContact CB-CD2 3.6Å |
| 196 | Y | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -51.1 | -49 | -179.2 | -117.1 | -80.1 | 0 | 0 | 0 | 116.1 | I192 T193 E198 W199 L200 Y215 Q218 H219 M222 P260 P261 L264 | I192-Y196 HydrophobicContact CG2-CD2 3.67Å; I192-Y196 HydrophobicContact CG2-CE2 3.65Å; I192-Y196 WeakPolarHBondContact O-CD2 3.24Å; I192-Y196 PolarHBondContact O-N 3.45Å; T193-Y196 PolarHBondContact O-N 2.88Å; Y196-E198 VanDerWaalsContact C-N 3.33Å; Y196-E198 PolarHBondContact O-N 3.4Å; Y196-W199 PolarHBondContact O-N 2.9Å; Y196-L200 HydrophobicContact CD1-CD1 4.07Å; Y196-L200 HydrophobicContact CD1-CG 4.18Å; Y196-L200 WeakPolarHBondContact O-CB 3.22Å; Y196-L200 WeakPolarHBondContact O-CG 3.25Å; Y196-L200 PolarHBondContact O-N 3.38Å; Y196-Y215 WeakPolarHBondContact CE1-O 3.41Å; Y196-Q218 PolarHBondContact OH-OE1 3.42Å; Y196-H219 WeakPolarHBondContact CB-CD2 3.44Å; Y196-H219 HydrophobicContact CD1-CB 3.7Å; Y196-H219 HydrophobicContact CE1-CB 4.24Å; Y196-H219 HydrophobicContact CG-CB 3.87Å; Y196-H219 AromaticContact CG-CD2 4Å; Y196-M222 HydrophobicContact CD2-SD 4.06Å; Y196-M222 HydrophobicContact CE2-CE 4.18Å; Y196-M222 HydrophobicContact CE2-SD 3.57Å; Y196-M222 VanDerWaalsContact CE2-SD 3.57Å; Y196-P260 HydrophobicContact CE2-CB 4.47Å; Y196-P260 WeakPolarHBondContact OH-CB 3.26Å; Y196-P261 HydrophobicContact CE1-CG 4.39Å; Y196-P261 WeakPolarHBondContact OH-CD 3.48Å; Y196-L264 HydrophobicContact CD1-CD1 3.81Å; Y196-L264 HydrophobicContact CD2-CD1 3.61Å; Y196-L264 HydrophobicContact CE1-CD1 3.98Å; Y196-L264 HydrophobicContact CE2-CD1 3.77Å; Y196-L264 HydrophobicContact CG-CD1 3.64Å |
| 197 | P | 90.6 | Very high | 88.2 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -35.8 | -176.1 | 21.7 | -32.4 | 0 | 0 | 0 | 112.9 | T193 E194 N201 | T193-P197 VanDerWaalsContact O-CD 3.23Å; T193-P197 WeakPolarHBondContact O-CD 3.4Å; E194-P197 WeakPolarHBondContact O-CD 3.34Å; P197-N201 WeakPolarHBondContact O-CB 3.06Å; P197-N201 PolarHBondContact O-N 3.4Å; P197-N201 VanDerWaalsContact O-N 3.08Å |
| 198 | E | 90.9 | Very high | 88.4 | Confident | 156 Ų | 156 | 72 Ų | 72 | 73% | 0.729 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.1 | -42.3 | 176.6 | -172.4 | 173 | 95.4 | 0 | 0 | 111.3 | K195 Y196 N201 S202 | K195-E198 PolarHBondContact O-N 3.37Å; Y196-E198 VanDerWaalsContact C-N 3.33Å; Y196-E198 PolarHBondContact O-N 3.4Å; E198-N201 PolarHBondContact O-N 2.97Å; E198-S202 WeakPolarHBondContact O-CB 3.47Å; E198-S202 PolarHBondContact O-N 3.48Å; E198-S202 PolarHBondContact O-OG 3.44Å |
| 199 | W | 90.4 | Very high | 88.7 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 12% | 0.121 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.7 | -175.3 | 93.9 | 0 | 0 | 0 | 112.3 | K195 Y196 N201 S202 N203 L207 Y215 P261 E263 L264 | K195-W199 PolarHBondContact O-N 3.06Å; Y196-W199 PolarHBondContact O-N 2.9Å; W199-N201 VanDerWaalsContact C-N 3.35Å; W199-N201 PolarHBondContact O-N 3.4Å; W199-S202 PolarHBondContact O-N 3.15Å; W199-N203 HydrophobicContact CE3-CB 4.49Å; W199-N203 HydrophobicContact CH2-CB 4.25Å; W199-N203 HydrophobicContact CZ2-CB 4.25Å; W199-N203 HydrophobicContact CZ3-CB 4.37Å; W199-N203 PolarHBondContact NE1-ND2 3.45Å; W199-N203 VanDerWaalsContact NE1-ND2 3.19Å; W199-N203 WeakPolarHBondContact O-CB 3.45Å; W199-N203 PolarHBondContact O-N 2.97Å; W199-N203 PolarHBondContact O-ND2 2.87Å; W199-L207 HydrophobicContact CH2-CD1 3.66Å; W199-L207 HydrophobicContact CH2-CD2 4.37Å; W199-L207 HydrophobicContact CZ3-CD1 3.7Å; W199-Y215 AromaticContact CH2-CD2 3.91Å; W199-Y215 HydrophobicContact CH2-CD2 3.91Å; W199-Y215 AromaticContact CH2-CE2 3.74Å; W199-Y215 HydrophobicContact CH2-CE2 3.74Å; W199-Y215 AromaticContact CZ3-CD2 3.66Å; W199-Y215 HydrophobicContact CZ3-CD2 3.66Å; W199-Y215 AromaticContact CZ3-CE2 4Å; W199-Y215 HydrophobicContact CZ3-CE2 4Å; W199-Y215 HydrophobicContact CZ3-CG 4.21Å; W199-P261 HydrophobicContact CD2-CB 4.1Å; W199-P261 HydrophobicContact CD2-CG 4.08Å; W199-P261 HydrophobicContact CE3-CB 4.26Å; W199-P261 HydrophobicContact CE3-CG 3.74Å; W199-P261 HydrophobicContact CH2-CB 3.64Å; W199-P261 HydrophobicContact CH2-CG 3.39Å; W199-P261 HydrophobicContact CZ2-CB 3.46Å; W199-P261 VanDerWaalsContact CZ2-CB 3.46Å; W199-P261 HydrophobicContact CZ2-CG 3.77Å; W199-P261 HydrophobicContact CZ3-CB 4.05Å; W199-P261 HydrophobicContact CZ3-CG 3.38Å; W199-E263 PolarHBondContact NE1-OE2 2.93Å; W199-L264 HydrophobicContact CB-CD1 3.83Å; W199-L264 HydrophobicContact CB-CD2 3.83Å; W199-L264 HydrophobicContact CB-CG 4.06Å; W199-L264 HydrophobicContact CD2-CD1 3.97Å; W199-L264 HydrophobicContact CD2-CG 4.34Å; W199-L264 HydrophobicContact CE3-CD1 4.18Å; W199-L264 HydrophobicContact CG-CD1 3.81Å; W199-L264 HydrophobicContact CG-CD2 4.11Å; W199-L264 HydrophobicContact CG-CG 3.88Å |
| 200 | L | 89.9 | Confident | 88.8 | Confident | 12 Ų | 12 | 79.3 Ų | 79.3 | 6% | 0.063 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.2 | -80.9 | 171.7 | 0 | 0 | 0 | 111.1 | Y196 S202 N203 R204 F212 | Y196-L200 HydrophobicContact CD1-CD1 4.07Å; Y196-L200 HydrophobicContact CD1-CG 4.18Å; Y196-L200 WeakPolarHBondContact O-CB 3.22Å; Y196-L200 WeakPolarHBondContact O-CG 3.25Å; Y196-L200 PolarHBondContact O-N 3.38Å; L200-S202 VanDerWaalsContact C-N 3.35Å; L200-S202 PolarHBondContact O-N 2.84Å; L200-N203 PolarHBondContact O-N 3.13Å; L200-R204 WeakPolarHBondContact O-CB 3.31Å; L200-R204 PolarHBondContact O-N 3.44Å; L200-F212 HydrophobicContact CB-CE2 4.12Å; L200-F212 HydrophobicContact CD2-CD2 4.05Å; L200-F212 HydrophobicContact CD2-CE2 3.89Å; L200-F212 HydrophobicContact CD2-CZ 4.44Å; L200-F212 WeakPolarHBondContact O-CE2 3.42Å |
| 201 | N | 90.4 | Very high | 88.8 | Confident | 118 Ų | 118 | 80.2 Ų | 80.2 | 63% | 0.631 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | -179.3 | -165.1 | 16.8 | 0 | 0 | 0 | 111.8 | P197 E198 W199 N203 | P197-N201 WeakPolarHBondContact O-CB 3.06Å; P197-N201 PolarHBondContact O-N 3.4Å; P197-N201 VanDerWaalsContact O-N 3.08Å; E198-N201 PolarHBondContact O-N 2.97Å; W199-N201 VanDerWaalsContact C-N 3.35Å; W199-N201 PolarHBondContact O-N 3.4Å; N201-N203 PolarHBondContact O-N 3.48Å |
| 202 | S | 91.5 | Very high | 89 | Confident | 90 Ų | 90 | 76.7 Ų | 76.7 | 63% | 0.629 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.4 | -35.7 | 178.7 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | E198 W199 L200 | E198-S202 WeakPolarHBondContact O-CB 3.47Å; E198-S202 PolarHBondContact O-N 3.48Å; E198-S202 PolarHBondContact O-OG 3.44Å; W199-S202 PolarHBondContact O-N 3.15Å; L200-S202 VanDerWaalsContact C-N 3.35Å; L200-S202 PolarHBondContact O-N 2.84Å |
| 203 | N | 88.5 | Confident | 89.2 | Confident | 37 Ų | 37 | 82.9 Ų | 82.9 | 20% | 0.198 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -96.9 | -2.2 | -176.5 | -71.3 | -73.1 | 0 | 0 | 0 | 114.5 | W199 L200 N201 Q205 S206 L207 | W199-N203 HydrophobicContact CE3-CB 4.49Å; W199-N203 HydrophobicContact CH2-CB 4.25Å; W199-N203 HydrophobicContact CZ2-CB 4.25Å; W199-N203 HydrophobicContact CZ3-CB 4.37Å; W199-N203 PolarHBondContact NE1-ND2 3.45Å; W199-N203 VanDerWaalsContact NE1-ND2 3.19Å; W199-N203 WeakPolarHBondContact O-CB 3.45Å; W199-N203 PolarHBondContact O-N 2.97Å; W199-N203 PolarHBondContact O-ND2 2.87Å; L200-N203 PolarHBondContact O-N 3.13Å; N201-N203 PolarHBondContact O-N 3.48Å; N203-Q205 PolarHBondContact O-N 3.4Å; N203-Q205 VanDerWaalsContact O-N 3.08Å; N203-S206 PolarHBondContact O-N 3.39Å; N203-L207 HydrophobicContact CB-CD1 3.63Å; N203-L207 HydrophobicContact CB-CG 4Å; N203-L207 WeakPolarHBondContact O-CG 3.41Å; N203-L207 PolarHBondContact O-N 2.84Å |
| 204 | R | 86.3 | Confident | 89.3 | Confident | 161 Ų | 161 | 87.8 Ų | 87.8 | 61% | 0.608 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -35 | -176.3 | -171.9 | 173.5 | -170.6 | 172.7 | 6.2 | 114.6 | L200 F212 | L200-R204 WeakPolarHBondContact O-CB 3.31Å; L200-R204 PolarHBondContact O-N 3.44Å; R204-F212 HydrophobicContact CB-CD2 4.27Å; R204-F212 HydrophobicContact CB-CE2 3.79Å; R204-F212 HydrophobicContact CG-CD2 4.13Å; R204-F212 HydrophobicContact CG-CE2 3.68Å; R204-F212 HydrophobicContact CG-CZ 4.06Å |
| 205 | Q | 87.1 | Confident | 89.3 | Confident | 197 Ų | 197 | 82.9 Ų | 82.9 | 92% | 0.921 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -20.2 | -179.4 | -62.7 | -175.6 | -8.1 | 0 | 0 | 113.3 | N203 | N203-Q205 PolarHBondContact O-N 3.4Å; N203-Q205 VanDerWaalsContact O-N 3.08Å |
| 206 | S | 88.5 | Confident | 89.4 | Confident | 99 Ų | 99 | 83.7 Ų | 83.7 | 69% | 0.692 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -29.8 | -179.4 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | N203 | N203-S206 PolarHBondContact O-N 3.39Š|
| 207 | L | 87.6 | Confident | 89.5 | Confident | 32 Ų | 32 | 87.7 Ų | 87.7 | 17% | 0.168 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -87.3 | 143.1 | -176 | -66.7 | 168.5 | 0 | 0 | 0 | 112.7 | W199 N203 Y215 | W199-L207 HydrophobicContact CH2-CD1 3.66Å; W199-L207 HydrophobicContact CH2-CD2 4.37Å; W199-L207 HydrophobicContact CZ3-CD1 3.7Å; N203-L207 HydrophobicContact CB-CD1 3.63Å; N203-L207 HydrophobicContact CB-CG 4Å; N203-L207 WeakPolarHBondContact O-CG 3.41Å; N203-L207 PolarHBondContact O-N 2.84Å; L207-Y215 HydrophobicContact CD1-CD2 3.95Å; L207-Y215 HydrophobicContact CD1-CE2 4.14Å; L207-Y215 HydrophobicContact CD2-CE2 4.09Å |
| 208 | P | 91.2 | Very high | 89.5 | Confident | 71 Ų | 71 | 84.8 Ų | 84.8 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | trans | -66.4 | 147.6 | 167.3 | 28.5 | -32 | 0 | 0 | 0 | 110.3 | D210 Q211 F212 | P208-D210 PolarHBondContact O-N 3.29Å; P208-D210 VanDerWaalsContact O-N 3.14Å; P208-Q211 HydrophobicContact CG-CB 3.9Å; P208-Q211 HydrophobicContact CG-CG 3.84Å; P208-Q211 PolarHBondContact O-N 3.36Å; P208-F212 PolarHBondContact O-N 3.15Å | ||
| 209 | A | 88 | Confident | 89.5 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 70% | 0.702 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -54.5 | -37.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F212 Q213 | A209-F212 PolarHBondContact O-N 3.39Å; A209-Q213 WeakPolarHBondContact O-CB 3.26Å; A209-Q213 PolarHBondContact O-N 3.23Å |
| 210 | D | 88.1 | Confident | 89.6 | Confident | 103 Ų | 103 | 84 Ų | 84 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 178.2 | -133.6 | -94 | 0 | 0 | 0 | 112.4 | P208 R214 | P208-D210 PolarHBondContact O-N 3.29Å; P208-D210 VanDerWaalsContact O-N 3.14Å; D210-R214 WeakPolarHBondContact O-CG 3.34Å; D210-R214 PolarHBondContact O-N 3.27Å; D210-R214 IonicContact OD1-CZ 3.83Å; D210-R214 IonicContact OD1-NE 3.8Å; D210-R214 PolarHBondContact OD1-NE 3.15Å; D210-R214 IonicContact OD1-NH2 2.82Å; D210-R214 PolarHBondContact OD1-NH2 2.85Å |
| 211 | Q | 87.4 | Confident | 89.7 | Confident | 76 Ų | 76 | 83.6 Ų | 83.6 | 36% | 0.355 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.9 | -40.2 | 175.6 | -76 | -148.8 | 103.5 | 0 | 0 | 111.9 | P208 Q213 R214 Y215 | P208-Q211 HydrophobicContact CG-CB 3.9Å; P208-Q211 HydrophobicContact CG-CG 3.84Å; P208-Q211 PolarHBondContact O-N 3.36Å; Q211-Q213 VanDerWaalsContact C-N 3.29Å; Q211-Q213 PolarHBondContact O-N 3.46Å; Q211-R214 PolarHBondContact O-N 2.77Å; Q211-Y215 HydrophobicContact CB-CD2 4.48Å; Q211-Y215 HydrophobicContact CB-CE2 4.18Å; Q211-Y215 VanDerWaalsContact O-CD2 3.25Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.36Å; Q211-Y215 PolarHBondContact O-N 3.14Å; Q211-Y215 PolarHBondContact OE1-OH 2.86Å |
| 212 | F | 89.6 | Confident | 89.7 | Confident | 32 Ų | 32 | 78 Ų | 78 | 14% | 0.14 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 176.4 | -175.5 | -89.3 | 0 | 0 | 0 | 111.2 | L200 R204 P208 A209 R214 Y215 E216 | L200-F212 HydrophobicContact CB-CE2 4.12Å; L200-F212 HydrophobicContact CD2-CD2 4.05Å; L200-F212 HydrophobicContact CD2-CE2 3.89Å; L200-F212 HydrophobicContact CD2-CZ 4.44Å; L200-F212 WeakPolarHBondContact O-CE2 3.42Å; R204-F212 HydrophobicContact CB-CD2 4.27Å; R204-F212 HydrophobicContact CB-CE2 3.79Å; R204-F212 HydrophobicContact CG-CD2 4.13Å; R204-F212 HydrophobicContact CG-CE2 3.68Å; R204-F212 HydrophobicContact CG-CZ 4.06Å; P208-F212 PolarHBondContact O-N 3.15Å; A209-F212 PolarHBondContact O-N 3.39Å; F212-R214 PolarHBondContact O-N 3.5Å; F212-Y215 PolarHBondContact O-N 3.35Å; F212-E216 WeakPolarHBondContact CE1-OE2 3.24Å; F212-E216 WeakPolarHBondContact O-CB 3.32Å; F212-E216 PolarHBondContact O-N 3.31Å |
| 213 | Q | 90.1 | Very high | 89.7 | Confident | 138 Ų | 138 | 74.9 Ų | 74.9 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 177.2 | -167.7 | -179.5 | -67.7 | 0 | 0 | 112.4 | A209 Q211 E216 Q217 | A209-Q213 WeakPolarHBondContact O-CB 3.26Å; A209-Q213 PolarHBondContact O-N 3.23Å; Q211-Q213 VanDerWaalsContact C-N 3.29Å; Q211-Q213 PolarHBondContact O-N 3.46Å; Q213-E216 PolarHBondContact O-N 3.3Å; Q213-Q217 WeakPolarHBondContact O-CB 3.21Å; Q213-Q217 PolarHBondContact O-N 2.67Å |
| 214 | R | 90.3 | Very high | 89.8 | Confident | 119 Ų | 119 | 77.7 Ų | 77.7 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 174.5 | -71.6 | 175.1 | -151 | -172.5 | 2.9 | 111.5 | D210 Q211 F212 E216 Q217 Q218 | D210-R214 WeakPolarHBondContact O-CG 3.34Å; D210-R214 PolarHBondContact O-N 3.27Å; D210-R214 IonicContact OD1-CZ 3.83Å; D210-R214 IonicContact OD1-NE 3.8Å; D210-R214 PolarHBondContact OD1-NE 3.15Å; D210-R214 IonicContact OD1-NH2 2.82Å; D210-R214 PolarHBondContact OD1-NH2 2.85Å; Q211-R214 PolarHBondContact O-N 2.77Å; F212-R214 PolarHBondContact O-N 3.5Å; R214-E216 VanDerWaalsContact C-N 3.34Å; R214-E216 PolarHBondContact O-N 2.65Å; R214-Q217 CarbonylContact O-C 3.55Å; R214-Q217 WeakPolarHBondContact O-CB 3.22Å; R214-Q217 PolarHBondContact O-N 3.36Å; R214-Q217 VanDerWaalsContact O-N 3.15Å; R214-Q218 WeakPolarHBondContact O-CG 3.17Å; R214-Q218 PolarHBondContact O-N 2.98Å |
| 215 | Y | 90.6 | Very high | 90 | Very high | 31 Ų | 31 | 70 Ų | 70 | 12% | 0.122 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.2 | -35 | 178.9 | -66.9 | -39 | 0 | 0 | 0 | 112.9 | Y196 W199 L207 Q211 F212 Q217 Q218 H219 P261 | Y196-Y215 WeakPolarHBondContact CE1-O 3.41Å; W199-Y215 AromaticContact CH2-CD2 3.91Å; W199-Y215 HydrophobicContact CH2-CD2 3.91Å; W199-Y215 AromaticContact CH2-CE2 3.74Å; W199-Y215 HydrophobicContact CH2-CE2 3.74Å; W199-Y215 AromaticContact CZ3-CD2 3.66Å; W199-Y215 HydrophobicContact CZ3-CD2 3.66Å; W199-Y215 AromaticContact CZ3-CE2 4Å; W199-Y215 HydrophobicContact CZ3-CE2 4Å; W199-Y215 HydrophobicContact CZ3-CG 4.21Å; L207-Y215 HydrophobicContact CD1-CD2 3.95Å; L207-Y215 HydrophobicContact CD1-CE2 4.14Å; L207-Y215 HydrophobicContact CD2-CE2 4.09Å; Q211-Y215 HydrophobicContact CB-CD2 4.48Å; Q211-Y215 HydrophobicContact CB-CE2 4.18Å; Q211-Y215 VanDerWaalsContact O-CD2 3.25Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.36Å; Q211-Y215 PolarHBondContact O-N 3.14Å; Q211-Y215 PolarHBondContact OE1-OH 2.86Å; F212-Y215 PolarHBondContact O-N 3.35Å; Y215-Q217 VanDerWaalsContact C-N 3.32Å; Y215-Q218 PolarHBondContact O-N 3.09Å; Y215-H219 PolarHBondContact O-N 2.85Å; Y215-P261 HydrophobicContact CD1-CG 3.92Å; Y215-P261 HydrophobicContact CD2-CG 4.42Å; Y215-P261 HydrophobicContact CE1-CG 3.84Å; Y215-P261 HydrophobicContact CE2-CG 4.33Å; Y215-P261 HydrophobicContact CG-CG 4.23Å |
| 216 | E | 90.9 | Very high | 90.1 | Very high | 106 Ų | 106 | 60.8 Ų | 60.8 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 171.1 | -166.1 | -175.8 | 109 | 0 | 0 | 111.3 | F212 Q213 R214 H219 K220 | F212-E216 WeakPolarHBondContact CE1-OE2 3.24Å; F212-E216 WeakPolarHBondContact O-CB 3.32Å; F212-E216 PolarHBondContact O-N 3.31Å; Q213-E216 PolarHBondContact O-N 3.3Å; R214-E216 VanDerWaalsContact C-N 3.34Å; R214-E216 PolarHBondContact O-N 2.65Å; E216-H219 PolarHBondContact O-N 2.88Å; E216-K220 PolarHBondContact O-N 2.78Å |
| 217 | Q | 91.8 | Very high | 90.2 | Very high | 83 Ų | 83 | 58 Ų | 58 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 175.8 | -166.6 | 72.4 | 33.9 | 0 | 0 | 112 | Q213 R214 Y215 K220 V221 L257 | Q213-Q217 WeakPolarHBondContact O-CB 3.21Å; Q213-Q217 PolarHBondContact O-N 2.67Å; R214-Q217 CarbonylContact O-C 3.55Å; R214-Q217 WeakPolarHBondContact O-CB 3.22Å; R214-Q217 PolarHBondContact O-N 3.36Å; R214-Q217 VanDerWaalsContact O-N 3.15Å; Y215-Q217 VanDerWaalsContact C-N 3.32Å; Q217-K220 WeakPolarHBondContact O-CB 3.46Å; Q217-K220 PolarHBondContact O-N 3.23Å; Q217-V221 WeakPolarHBondContact O-CG2 3.17Å; Q217-V221 PolarHBondContact O-N 2.78Å; Q217-L257 HydrophobicContact CB-CD1 3.89Å; Q217-L257 HydrophobicContact CB-CD2 3.97Å; Q217-L257 HydrophobicContact CG-CD1 3.49Å; Q217-L257 VanDerWaalsContact CG-CD1 3.49Å; Q217-L257 HydrophobicContact CG-CD2 3.73Å; Q217-L257 HydrophobicContact CG-CG 4.26Å |
| 218 | Q | 89.7 | Confident | 90.2 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -47.5 | 175.5 | -72 | 179.8 | 14.6 | 0 | 0 | 110.7 | Y196 R214 Y215 K220 V221 M222 L254 L257 G258 Q259 P260 | Y196-Q218 PolarHBondContact OH-OE1 3.42Å; R214-Q218 WeakPolarHBondContact O-CG 3.17Å; R214-Q218 PolarHBondContact O-N 2.98Å; Y215-Q218 PolarHBondContact O-N 3.09Å; Q218-K220 VanDerWaalsContact C-N 3.31Å; Q218-K220 PolarHBondContact O-N 2.84Å; Q218-V221 PolarHBondContact O-N 2.89Å; Q218-M222 WeakPolarHBondContact O-CB 3.17Å; Q218-M222 VanDerWaalsContact O-CG 3.31Å; Q218-M222 WeakPolarHBondContact O-CG 3.1Å; Q218-M222 PolarHBondContact O-N 3.37Å; Q218-L254 HydrophobicContact CB-CD1 3.76Å; Q218-L254 HydrophobicContact CG-CD1 3.96Å; Q218-L257 HydrophobicContact CG-CB 3.54Å; Q218-L257 HydrophobicContact CG-CD1 4.04Å; Q218-L257 HydrophobicContact CG-CG 4.42Å; Q218-L257 PolarHBondContact NE2-O 3.39Å; Q218-G258 PolarHBondContact NE2-O 3.18Å; Q218-Q259 PolarHBondContact NE2-O 3.19Å; Q218-P260 VanDerWaalsContact OE1-CA 3.24Å |
| 219 | H | 91.3 | Very high | 89.9 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 174.7 | 171.8 | -114 | 0 | 0 | 0 | 112.1 | T193 Y196 Y215 E216 M222 G223 | T193-H219 PolarHBondContact O-CD2 3.18Å; T193-H219 PolarHBondContact O-NE2 2.9Å; Y196-H219 WeakPolarHBondContact CB-CD2 3.44Å; Y196-H219 HydrophobicContact CD1-CB 3.7Å; Y196-H219 HydrophobicContact CE1-CB 4.24Å; Y196-H219 HydrophobicContact CG-CB 3.87Å; Y196-H219 AromaticContact CG-CD2 4Å; Y215-H219 PolarHBondContact O-N 2.85Å; E216-H219 PolarHBondContact O-N 2.88Å; H219-M222 PolarHBondContact O-N 2.79Å; H219-G223 PolarHBondContact O-N 2.95Å |
| 220 | K | 93 | Very high | 89.8 | Confident | 121 Ų | 121 | 55.2 Ų | 55.2 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 176.9 | -175 | -179.4 | 178.2 | -179.1 | 0 | 111.6 | E216 Q217 Q218 G223 E224 | E216-K220 PolarHBondContact O-N 2.78Å; Q217-K220 WeakPolarHBondContact O-CB 3.46Å; Q217-K220 PolarHBondContact O-N 3.23Å; Q218-K220 VanDerWaalsContact C-N 3.31Å; Q218-K220 PolarHBondContact O-N 2.84Å; K220-G223 PolarHBondContact O-N 3.43Å; K220-E224 WeakPolarHBondContact O-CG 3.43Å; K220-E224 PolarHBondContact O-N 2.97Å |
| 221 | V | 92.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 179.8 | 173.7 | 0 | 0 | 0 | 0 | 111 | Q217 Q218 G223 E224 I225 L250 Q253 L254 L257 | Q217-V221 WeakPolarHBondContact O-CG2 3.17Å; Q217-V221 PolarHBondContact O-N 2.78Å; Q218-V221 PolarHBondContact O-N 2.89Å; V221-G223 VanDerWaalsContact C-N 3.31Å; V221-G223 PolarHBondContact O-N 2.68Å; V221-E224 PolarHBondContact O-N 3.42Å; V221-E224 VanDerWaalsContact O-N 3.13Å; V221-I225 HydrophobicContact CG1-CD1 4.12Å; V221-I225 WeakPolarHBondContact O-CG1 3.48Å; V221-I225 PolarHBondContact O-N 3.47Å; V221-L250 HydrophobicContact CG1-CB 4.16Å; V221-L250 HydrophobicContact CG1-CD2 4.29Å; V221-L250 WeakPolarHBondContact CG1-O 3.49Å; V221-Q253 HydrophobicContact CG1-CB 4.49Å; V221-L254 HydrophobicContact CB-CD1 4.35Å; V221-L254 HydrophobicContact CG1-CB 3.92Å; V221-L254 HydrophobicContact CG1-CD1 4.34Å; V221-L257 HydrophobicContact CG2-CD1 4.02Å |
| 222 | M | 89.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 175.4 | -70.1 | 177.6 | 162 | 0 | 0 | 111.9 | L189 I192 T193 Y196 Q218 H219 E224 I225 C226 L254 P260 | L189-M222 HydrophobicContact CD2-CE 4.36Å; L189-M222 HydrophobicContact CD2-CG 4.11Å; I192-M222 HydrophobicContact CG2-CE 4.07Å; I192-M222 HydrophobicContact CG2-SD 3.81Å; T193-M222 WeakPolarHBondContact OG1-CB 3.11Å; Y196-M222 HydrophobicContact CD2-SD 4.06Å; Y196-M222 HydrophobicContact CE2-CE 4.18Å; Y196-M222 HydrophobicContact CE2-SD 3.57Å; Y196-M222 VanDerWaalsContact CE2-SD 3.57Å; Q218-M222 WeakPolarHBondContact O-CB 3.17Å; Q218-M222 VanDerWaalsContact O-CG 3.31Å; Q218-M222 WeakPolarHBondContact O-CG 3.1Å; Q218-M222 PolarHBondContact O-N 3.37Å; H219-M222 PolarHBondContact O-N 2.79Å; M222-E224 PolarHBondContact O-N 3.01Å; M222-I225 PolarHBondContact O-N 3.35Å; M222-C226 PolarHBondContact O-N 3.26Å; M222-C226 PolarHBondContact O-SG 3.09Å; M222-L254 HydrophobicContact CE-CD1 4.07Å; M222-L254 HydrophobicContact CE-CD2 3.78Å; M222-L254 HydrophobicContact CE-CG 4.4Å; M222-L254 HydrophobicContact CG-CD1 3.75Å; M222-L254 HydrophobicContact CG-CD2 3.78Å; M222-L254 HydrophobicContact CG-CG 4.44Å; M222-L254 HydrophobicContact SD-CD1 4.47Å; M222-P260 HydrophobicContact CE-CB 4.11Å; M222-P260 HydrophobicContact CE-CG 4.33Å |
| 223 | G | 90.8 | Very high | 86.9 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H219 K220 V221 C226 S227 | H219-G223 PolarHBondContact O-N 2.95Å; K220-G223 PolarHBondContact O-N 3.43Å; V221-G223 VanDerWaalsContact C-N 3.31Å; V221-G223 PolarHBondContact O-N 2.68Å; G223-C226 PolarHBondContact O-N 2.78Å; G223-S227 PolarHBondContact O-N 3.15Å |
| 224 | E | 91.3 | Very high | 85.1 | Confident | 95 Ų | 95 | 58 Ų | 58 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 174.5 | -68.1 | -157.5 | 97.6 | 0 | 0 | 111.8 | K220 V221 M222 S227 Q228 L250 | K220-E224 WeakPolarHBondContact O-CG 3.43Å; K220-E224 PolarHBondContact O-N 2.97Å; V221-E224 PolarHBondContact O-N 3.42Å; V221-E224 VanDerWaalsContact O-N 3.13Å; M222-E224 PolarHBondContact O-N 3.01Å; E224-S227 WeakPolarHBondContact O-CB 3.44Å; E224-S227 PolarHBondContact O-N 3.16Å; E224-Q228 WeakPolarHBondContact O-CG 3.23Å; E224-Q228 PolarHBondContact O-N 3.38Å; E224-L250 HydrophobicContact CB-CD1 4.13Å; E224-L250 HydrophobicContact CB-CD2 4.25Å |
| 225 | I | 89.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 175.8 | -62.7 | 167.2 | 0 | 0 | 0 | 110.7 | L189 V221 M222 S227 Q228 F229 I247 L250 M251 | L189-I225 HydrophobicContact CD1-CB 4.07Å; L189-I225 HydrophobicContact CD1-CG2 3.39Å; V221-I225 HydrophobicContact CG1-CD1 4.12Å; V221-I225 WeakPolarHBondContact O-CG1 3.48Å; V221-I225 PolarHBondContact O-N 3.47Å; M222-I225 PolarHBondContact O-N 3.35Å; I225-S227 VanDerWaalsContact C-N 3.28Å; I225-S227 PolarHBondContact O-N 3.41Å; I225-Q228 WeakPolarHBondContact O-CB 3.42Å; I225-Q228 PolarHBondContact O-N 3.34Å; I225-Q228 VanDerWaalsContact O-N 3.16Å; I225-F229 HydrophobicContact CG2-CD2 3.86Å; I225-F229 HydrophobicContact CG2-CE2 3.44Å; I225-F229 VanDerWaalsContact CG2-CE2 3.44Å; I225-F229 HydrophobicContact CG2-CZ 4.33Å; I225-F229 VanDerWaalsContact O-CD2 3.26Å; I225-F229 WeakPolarHBondContact O-CD2 3.5Å; I225-F229 PolarHBondContact O-N 3.12Å; I225-F229 VanDerWaalsContact O-N 3.12Å; I225-I247 HydrophobicContact CG2-CG2 4.15Å; I225-L250 HydrophobicContact CD1-CB 3.8Å; I225-L250 HydrophobicContact CG1-CB 3.45Å; I225-L250 VanDerWaalsContact CG1-CB 3.45Å; I225-L250 HydrophobicContact CG1-CD1 3.78Å; I225-L250 HydrophobicContact CG1-CG 4.22Å; I225-M251 HydrophobicContact CD1-CE 3.43Å; I225-M251 VanDerWaalsContact CD1-CE 3.43Å; I225-M251 HydrophobicContact CD1-CG 4.08Å; I225-M251 HydrophobicContact CD1-SD 4.23Å; I225-M251 HydrophobicContact CG2-CE 4.34Å |
| 226 | C | 90.3 | Very high | 81.3 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 173.8 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | Y186 K190 M222 G223 Q228 F229 E230 | Y186-C226 HydrophobicContact CD2-CB 4.4Å; Y186-C226 HydrophobicContact CE2-CB 4.02Å; K190-C226 HydrophobicContact CD-CB 4.34Å; M222-C226 PolarHBondContact O-N 3.26Å; M222-C226 PolarHBondContact O-SG 3.09Å; G223-C226 PolarHBondContact O-N 2.78Å; C226-Q228 VanDerWaalsContact C-N 3.34Å; C226-Q228 PolarHBondContact O-N 3.01Å; C226-F229 PolarHBondContact O-N 3.33Å; C226-E230 WeakPolarHBondContact O-CG 3.19Å; C226-E230 PolarHBondContact O-N 2.78Å |
| 227 | S | 90 | Very high | 79.9 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 177.9 | -170 | 0 | 0 | 0 | 0 | 112.7 | G223 E224 I225 F229 E230 K231 | G223-S227 PolarHBondContact O-N 3.15Å; E224-S227 WeakPolarHBondContact O-CB 3.44Å; E224-S227 PolarHBondContact O-N 3.16Å; I225-S227 VanDerWaalsContact C-N 3.28Å; I225-S227 PolarHBondContact O-N 3.41Å; S227-F229 VanDerWaalsContact C-N 3.34Å; S227-E230 PolarHBondContact O-N 3.32Å; S227-K231 WeakPolarHBondContact O-CB 3.28Å; S227-K231 VanDerWaalsContact O-CG 3.25Å; S227-K231 WeakPolarHBondContact O-CG 3.44Å; S227-K231 PolarHBondContact O-N 2.69Å |
| 228 | Q | 87.3 | Confident | 78.1 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 174.7 | -66.6 | -69 | 9.3 | 0 | 0 | 111.5 | E224 I225 C226 E232 I247 L250 | E224-Q228 WeakPolarHBondContact O-CG 3.23Å; E224-Q228 PolarHBondContact O-N 3.38Å; I225-Q228 WeakPolarHBondContact O-CB 3.42Å; I225-Q228 PolarHBondContact O-N 3.34Å; I225-Q228 VanDerWaalsContact O-N 3.16Å; C226-Q228 VanDerWaalsContact C-N 3.34Å; C226-Q228 PolarHBondContact O-N 3.01Å; Q228-E232 PolarHBondContact O-N 3.21Å; Q228-I247 HydrophobicContact CB-CD1 4.31Å; Q228-I247 HydrophobicContact CB-CG1 4Å; Q228-L250 HydrophobicContact CG-CD1 4.17Å |
| 229 | F | 86.1 | Confident | 76.8 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 1% | 0.013 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 174.8 | -72.1 | -51.8 | 0 | 0 | 0 | 113.3 | L180 K182 L185 Y186 L189 I225 C226 S227 E232 I247 | L180-F229 WeakPolarHBondContact O-CE1 3.45Å; L180-F229 VanDerWaalsContact O-CZ 3.24Å; L180-F229 WeakPolarHBondContact O-CZ 3.24Å; K182-F229 HydrophobicContact CB-CD1 3.52Å; K182-F229 HydrophobicContact CB-CE1 3.92Å; K182-F229 HydrophobicContact CB-CG 4.25Å; K182-F229 HydrophobicContact CD-CB 4.2Å; K182-F229 HydrophobicContact CD-CD1 4.46Å; K182-F229 WeakPolarHBondContact CD-O 3.35Å; K182-F229 VanDerWaalsContact CE-O 3.28Å; K182-F229 WeakPolarHBondContact CE-O 3.25Å; K182-F229 HydrophobicContact CG-CB 4.06Å; K182-F229 HydrophobicContact CG-CD1 3.95Å; K182-F229 HydrophobicContact CG-CG 4.2Å; K182-F229 PolarHBondContact NZ-O 2.9Å; L185-F229 HydrophobicContact CB-CE2 4.33Å; L185-F229 HydrophobicContact CB-CZ 4.27Å; L185-F229 HydrophobicContact CD2-CE2 3.86Å; L185-F229 HydrophobicContact CD2-CZ 3.86Å; L185-F229 HydrophobicContact CG-CE2 4.11Å; L185-F229 HydrophobicContact CG-CZ 4.36Å; Y186-F229 HydrophobicContact CD2-CB 3.48Å; Y186-F229 VanDerWaalsContact CD2-CB 3.48Å; Y186-F229 AromaticContact CD2-CD2 3.9Å; Y186-F229 HydrophobicContact CD2-CD2 3.9Å; Y186-F229 HydrophobicContact CD2-CG 4.06Å; Y186-F229 HydrophobicContact CE2-CB 4.11Å; Y186-F229 HydrophobicContact CG-CB 4.08Å; Y186-F229 HydrophobicContact CG-CD2 4.41Å; Y186-F229 HydrophobicContact CG-CG 4.48Å; L189-F229 HydrophobicContact CD1-CE2 4.36Å; I225-F229 HydrophobicContact CG2-CD2 3.86Å; I225-F229 HydrophobicContact CG2-CE2 3.44Å; I225-F229 VanDerWaalsContact CG2-CE2 3.44Å; I225-F229 HydrophobicContact CG2-CZ 4.33Å; I225-F229 VanDerWaalsContact O-CD2 3.26Å; I225-F229 WeakPolarHBondContact O-CD2 3.5Å; I225-F229 PolarHBondContact O-N 3.12Å; I225-F229 VanDerWaalsContact O-N 3.12Å; C226-F229 PolarHBondContact O-N 3.33Å; S227-F229 VanDerWaalsContact C-N 3.34Å; F229-E232 WeakPolarHBondContact O-CB 3.37Å; F229-E232 PolarHBondContact O-N 3.24Å; F229-I247 HydrophobicContact CD1-CD1 3.89Å; F229-I247 HydrophobicContact CE1-CD1 3.47Å; F229-I247 VanDerWaalsContact CE1-CD1 3.47Å; F229-I247 HydrophobicContact CZ-CD1 3.85Å; F229-I247 HydrophobicContact CZ-CG1 4.49Å; F229-I247 HydrophobicContact CZ-CG2 4.04Å |
| 230 | E | 86 | Confident | 75.5 | Confident | 82 Ų | 82 | 74 Ų | 74 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 176.6 | -74 | 166.7 | 142.9 | 0 | 0 | 111 | Y186 K190 C226 S227 E232 G233 | Y186-E230 HydrophobicContact CE2-CG 3.75Å; Y186-E230 VanDerWaalsContact OH-CG 3.22Å; Y186-E230 WeakPolarHBondContact OH-CG 3.5Å; Y186-E230 PolarHBondContact OH-OE1 2.81Å; K190-E230 IonicContact NZ-OE1 2.74Å; K190-E230 PolarHBondContact NZ-OE1 2.97Å; K190-E230 IonicContact NZ-OE2 2.81Å; C226-E230 WeakPolarHBondContact O-CG 3.19Å; C226-E230 PolarHBondContact O-N 2.78Å; S227-E230 PolarHBondContact O-N 3.32Å; E230-E232 PolarHBondContact O-N 3.23Å; E230-G233 PolarHBondContact O-N 2.89Å |
| 231 | K | 80.2 | Confident | 74.3 | Confident | 115 Ų | 115 | 76 Ų | 76 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61 | -25.1 | 175.8 | -72.4 | 168.6 | -173.8 | 168.9 | 0 | 113.5 | S227 G233 E234 | S227-K231 WeakPolarHBondContact O-CB 3.28Å; S227-K231 VanDerWaalsContact O-CG 3.25Å; S227-K231 WeakPolarHBondContact O-CG 3.44Å; S227-K231 PolarHBondContact O-N 2.69Å; K231-G233 VanDerWaalsContact C-N 3.28Å; K231-G233 PolarHBondContact O-N 3.19Å; K231-E234 PolarHBondContact O-N 2.71Å |
| 232 | E | 67.1 | Low | 73.5 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.9 | -29.9 | 177.3 | 167.6 | 162.2 | -121.6 | 0 | 0 | 113.8 | Q228 F229 E230 E234 R243 | Q228-E232 PolarHBondContact O-N 3.21Å; F229-E232 WeakPolarHBondContact O-CB 3.37Å; F229-E232 PolarHBondContact O-N 3.24Å; E230-E232 PolarHBondContact O-N 3.23Å; E232-E234 PolarHBondContact O-N 3.07Å; E232-R243 VanDerWaalsContact CD-NH2 3.35Å; E232-R243 VanDerWaalsContact CG-NH2 3.27Å; E232-R243 IonicContact OE1-CZ 3.61Å; E232-R243 IonicContact OE1-NE 3.58Å; E232-R243 IonicContact OE1-NH2 2.7Å; E232-R243 PolarHBondContact OE1-NH2 2.98Å |
| 233 | G | 56.4 | Low | 72.9 | Confident | 59 Ų | 59 | 81.9 Ų | 81.9 | 61% | 0.608 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | E230 K231 | E230-G233 PolarHBondContact O-N 2.89Å; K231-G233 VanDerWaalsContact C-N 3.28Å; K231-G233 PolarHBondContact O-N 3.19Å |
| 234 | E | 52.8 | Low | 72.3 | Confident | 175 Ų | 175 | 82.4 Ų | 82.4 | 82% | 0.818 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -16.2 | -174.1 | -73.1 | -174.3 | 93.1 | 0 | 0 | 114.5 | K231 E232 | K231-E234 PolarHBondContact O-N 2.71Å; E232-E234 PolarHBondContact O-N 3.07Å |
| 235 | R | 51.5 | Low | 71.9 | Confident | 190 Ų | 190 | 83.6 Ų | 83.6 | 72% | 0.717 | 43% | 0.43 | S | S | * | . | trans | -140.3 | 93.2 | 177.9 | -93.8 | -179.1 | 178 | 170.8 | 1.5 | 111.1 | R243 | R235-R243 PolarHBondContact O-NH1 3.15Š| ||
| 236 | S | 48.8 | Very low | 71.7 | Confident | 123 Ų | 123 | 85.8 Ų | 85.8 | 86% | 0.86 | 45% | 0.446 | S | S | * | . | trans | -84.3 | 108.8 | 165.3 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 237 | G | 60.6 | Low | 71.5 | Confident | 52 Ų | 52 | 86 Ų | 86 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -178.2 | -166.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D239 G240 | G237-D239 PolarHBondContact O-N 3.27Å; G237-G240 PolarHBondContact O-N 3.43Å |
| 238 | R | 55.8 | Low | 71.1 | Confident | 244 Ų | 244 | 87.6 Ų | 87.6 | 92% | 0.921 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -1.1 | -174.2 | -149.9 | 174.5 | -168.3 | -128.7 | 0.2 | 116.3 | ||
| 239 | D | 62.3 | Low | 71 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -9 | 177.8 | -96 | -105.3 | 0 | 0 | 0 | 114 | G237 E241 R243 | G237-D239 PolarHBondContact O-N 3.27Å; D239-E241 PolarHBondContact O-N 3.44Å; D239-R243 WeakPolarHBondContact O-CG 3.22Å; D239-R243 PolarHBondContact O-N 3.28Å; D239-R243 VanDerWaalsContact O-N 3.16Å |
| 240 | G | 63.8 | Low | 71.1 | Confident | 29 Ų | 29 | 92.2 Ų | 92.2 | 30% | 0.299 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G237 R243 F244 | G237-G240 PolarHBondContact O-N 3.43Å; G240-R243 PolarHBondContact O-N 2.94Å; G240-F244 PolarHBondContact O-N 3.21Å |
| 241 | E | 67 | Low | 71 | Confident | 161 Ų | 161 | 89.4 Ų | 89.4 | 75% | 0.752 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.8 | -47.6 | -178.2 | -129 | 160.4 | 86.6 | 0 | 0 | 111.5 | D239 R243 F244 E245 | D239-E241 PolarHBondContact O-N 3.44Å; E241-R243 VanDerWaalsContact C-N 3.27Å; E241-R243 PolarHBondContact O-N 3.36Å; E241-F244 PolarHBondContact O-N 3.32Å; E241-E245 WeakPolarHBondContact O-CG 2.96Å; E241-E245 PolarHBondContact O-N 2.91Å |
| 242 | N | 75.7 | Confident | 71 | Confident | 99 Ų | 99 | 86.6 Ų | 86.6 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -33.1 | 175.9 | -73.9 | 80.3 | 0 | 0 | 0 | 112.9 | S246 | N242-S246 WeakPolarHBondContact O-CB 3.42Å; N242-S246 PolarHBondContact O-N 3.22Å; N242-S246 PolarHBondContact O-OG 3.36Å |
| 243 | R | 76.2 | Confident | 71.8 | Confident | 27 Ų | 27 | 87.8 Ų | 87.8 | 10% | 0.102 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71.2 | -42.9 | 174.7 | -71.5 | -172.4 | -51.5 | -141 | 3.9 | 111.7 | E232 R235 D239 G240 E241 E245 S246 I247 | E232-R243 VanDerWaalsContact CD-NH2 3.35Å; E232-R243 VanDerWaalsContact CG-NH2 3.27Å; E232-R243 IonicContact OE1-CZ 3.61Å; E232-R243 IonicContact OE1-NE 3.58Å; E232-R243 IonicContact OE1-NH2 2.7Å; E232-R243 PolarHBondContact OE1-NH2 2.98Å; R235-R243 PolarHBondContact O-NH1 3.15Å; D239-R243 WeakPolarHBondContact O-CG 3.22Å; D239-R243 PolarHBondContact O-N 3.28Å; D239-R243 VanDerWaalsContact O-N 3.16Å; G240-R243 PolarHBondContact O-N 2.94Å; E241-R243 VanDerWaalsContact C-N 3.27Å; E241-R243 PolarHBondContact O-N 3.36Å; R243-E245 VanDerWaalsContact C-N 3.3Å; R243-E245 PolarHBondContact O-N 3.25Å; R243-S246 CarbonylContact O-C 3.59Å; R243-S246 WeakPolarHBondContact O-CB 3.26Å; R243-S246 PolarHBondContact O-N 3.12Å; R243-S246 VanDerWaalsContact O-N 3.12Å; R243-I247 VanDerWaalsContact O-CG1 3.32Å; R243-I247 WeakPolarHBondContact O-CG1 3.24Å; R243-I247 PolarHBondContact O-N 2.86Å |
| 244 | F | 79 | Confident | 73.1 | Confident | 38 Ų | 38 | 85.1 Ų | 85.1 | 17% | 0.167 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 175.4 | 176.5 | -99.8 | 0 | 0 | 0 | 111 | Q177 L180 G240 E241 S246 I247 L248 | Q177-F244 HydrophobicContact CB-CE2 4.16Å; Q177-F244 HydrophobicContact CB-CZ 4.27Å; Q177-F244 HydrophobicContact CG-CD1 4.3Å; Q177-F244 HydrophobicContact CG-CD2 4.19Å; Q177-F244 HydrophobicContact CG-CE1 3.74Å; Q177-F244 HydrophobicContact CG-CE2 3.63Å; Q177-F244 HydrophobicContact CG-CZ 3.37Å; L180-F244 HydrophobicContact CB-CE2 4.07Å; L180-F244 HydrophobicContact CD1-CE2 3.98Å; L180-F244 HydrophobicContact CD1-CZ 4.29Å; G240-F244 PolarHBondContact O-N 3.21Å; E241-F244 PolarHBondContact O-N 3.32Å; F244-S246 VanDerWaalsContact C-N 3.31Å; F244-S246 PolarHBondContact O-N 3.05Å; F244-I247 PolarHBondContact O-N 3.03Å; F244-L248 HydrophobicContact CE1-CD2 4.36Å; F244-L248 VanDerWaalsContact O-CB 3.3Å; F244-L248 WeakPolarHBondContact O-CB 3.35Å; F244-L248 PolarHBondContact O-N 3.4Å |
| 245 | E | 82.8 | Confident | 74.3 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 56% | 0.556 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.3 | -41.5 | 174 | -67.8 | 178.3 | 129.3 | 0 | 0 | 111.9 | E241 R243 L248 E249 | E241-E245 WeakPolarHBondContact O-CG 2.96Å; E241-E245 PolarHBondContact O-N 2.91Å; R243-E245 VanDerWaalsContact C-N 3.3Å; R243-E245 PolarHBondContact O-N 3.25Å; E245-L248 PolarHBondContact O-N 2.83Å; E245-E249 PolarHBondContact O-N 2.89Å |
| 246 | S | 85.4 | Confident | 75.7 | Confident | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.9 | -57 | 0 | 0 | 0 | 0 | 112.4 | N242 R243 F244 L248 E249 L250 | N242-S246 WeakPolarHBondContact O-CB 3.42Å; N242-S246 PolarHBondContact O-N 3.22Å; N242-S246 PolarHBondContact O-OG 3.36Å; R243-S246 CarbonylContact O-C 3.59Å; R243-S246 WeakPolarHBondContact O-CB 3.26Å; R243-S246 PolarHBondContact O-N 3.12Å; R243-S246 VanDerWaalsContact O-N 3.12Å; F244-S246 VanDerWaalsContact C-N 3.31Å; F244-S246 PolarHBondContact O-N 3.05Å; S246-L248 VanDerWaalsContact C-N 3.33Å; S246-E249 PolarHBondContact O-N 3.31Å; S246-L250 VanDerWaalsContact O-CG 3.3Å; S246-L250 WeakPolarHBondContact O-CG 3.13Å; S246-L250 PolarHBondContact O-N 2.8Å |
| 247 | I | 86.1 | Confident | 77.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66 | -40 | 177.1 | -70.2 | 160 | 0 | 0 | 0 | 110.1 | I225 Q228 F229 R243 F244 L250 M251 | I225-I247 HydrophobicContact CG2-CG2 4.15Å; Q228-I247 HydrophobicContact CB-CD1 4.31Å; Q228-I247 HydrophobicContact CB-CG1 4Å; F229-I247 HydrophobicContact CD1-CD1 3.89Å; F229-I247 HydrophobicContact CE1-CD1 3.47Å; F229-I247 VanDerWaalsContact CE1-CD1 3.47Å; F229-I247 HydrophobicContact CZ-CD1 3.85Å; F229-I247 HydrophobicContact CZ-CG1 4.49Å; F229-I247 HydrophobicContact CZ-CG2 4.04Å; R243-I247 VanDerWaalsContact O-CG1 3.32Å; R243-I247 WeakPolarHBondContact O-CG1 3.24Å; R243-I247 PolarHBondContact O-N 2.86Å; F244-I247 PolarHBondContact O-N 3.03Å; I247-L250 PolarHBondContact O-N 2.83Å; I247-M251 WeakPolarHBondContact O-CB 3.46Å; I247-M251 WeakPolarHBondContact O-CG 2.9Å; I247-M251 PolarHBondContact O-N 2.83Å |
| 248 | L | 82.9 | Confident | 78.2 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 38% | 0.382 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 176.3 | -175.3 | 65.6 | 0 | 0 | 0 | 111.4 | L180 F244 E245 S246 M251 Q252 | L180-L248 HydrophobicContact CD1-CD1 3.86Å; F244-L248 HydrophobicContact CE1-CD2 4.36Å; F244-L248 VanDerWaalsContact O-CB 3.3Å; F244-L248 WeakPolarHBondContact O-CB 3.35Å; F244-L248 PolarHBondContact O-N 3.4Å; E245-L248 PolarHBondContact O-N 2.83Å; S246-L248 VanDerWaalsContact C-N 3.33Å; L248-M251 PolarHBondContact O-N 2.79Å; L248-Q252 PolarHBondContact O-N 3.45Å |
| 249 | E | 85.2 | Confident | 79.1 | Confident | 131 Ų | 131 | 59.4 Ų | 59.4 | 61% | 0.612 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 175.7 | -173.2 | 175.8 | 92 | 0 | 0 | 111.7 | E245 S246 M251 Q252 Q253 | E245-E249 PolarHBondContact O-N 2.89Å; S246-E249 PolarHBondContact O-N 3.31Å; E249-M251 VanDerWaalsContact C-N 3.33Å; E249-M251 PolarHBondContact O-N 3.39Å; E249-Q252 WeakPolarHBondContact O-CB 3.48Å; E249-Q252 PolarHBondContact O-N 2.87Å; E249-Q253 WeakPolarHBondContact O-CG 3.2Å; E249-Q253 PolarHBondContact O-N 2.73Å |
| 250 | L | 88.4 | Confident | 79.9 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.7 | -70.6 | 168.1 | 0 | 0 | 0 | 111.9 | V221 E224 I225 Q228 S246 I247 Q253 L254 | V221-L250 HydrophobicContact CG1-CB 4.16Å; V221-L250 HydrophobicContact CG1-CD2 4.29Å; V221-L250 WeakPolarHBondContact CG1-O 3.49Å; E224-L250 HydrophobicContact CB-CD1 4.13Å; E224-L250 HydrophobicContact CB-CD2 4.25Å; I225-L250 HydrophobicContact CD1-CB 3.8Å; I225-L250 HydrophobicContact CG1-CB 3.45Å; I225-L250 VanDerWaalsContact CG1-CB 3.45Å; I225-L250 HydrophobicContact CG1-CD1 3.78Å; I225-L250 HydrophobicContact CG1-CG 4.22Å; Q228-L250 HydrophobicContact CG-CD1 4.17Å; S246-L250 VanDerWaalsContact O-CG 3.3Å; S246-L250 WeakPolarHBondContact O-CG 3.13Å; S246-L250 PolarHBondContact O-N 2.8Å; I247-L250 PolarHBondContact O-N 2.83Å; L250-Q253 WeakPolarHBondContact O-CB 3.48Å; L250-Q253 PolarHBondContact O-N 2.88Å; L250-L254 WeakPolarHBondContact O-CB 3.18Å; L250-L254 PolarHBondContact O-N 3.25Å |
| 251 | M | 82.6 | Confident | 80.6 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 174 | -85.5 | -71.2 | 155.7 | 0 | 0 | 112.1 | L180 L185 L189 I225 I247 L248 E249 Q253 L254 Q255 | L180-M251 HydrophobicContact CD2-CG 4.04Å; L180-M251 HydrophobicContact CD2-SD 4.5Å; L185-M251 HydrophobicContact CD1-CE 4.06Å; L185-M251 HydrophobicContact CD2-CE 3.65Å; L185-M251 HydrophobicContact CG-CE 4.32Å; L189-M251 HydrophobicContact CD1-CE 3.51Å; L189-M251 HydrophobicContact CD2-CE 3.92Å; L189-M251 HydrophobicContact CG-CE 4.2Å; I225-M251 HydrophobicContact CD1-CE 3.43Å; I225-M251 VanDerWaalsContact CD1-CE 3.43Å; I225-M251 HydrophobicContact CD1-CG 4.08Å; I225-M251 HydrophobicContact CD1-SD 4.23Å; I225-M251 HydrophobicContact CG2-CE 4.34Å; I247-M251 WeakPolarHBondContact O-CB 3.46Å; I247-M251 WeakPolarHBondContact O-CG 2.9Å; I247-M251 PolarHBondContact O-N 2.83Å; L248-M251 PolarHBondContact O-N 2.79Å; E249-M251 VanDerWaalsContact C-N 3.33Å; E249-M251 PolarHBondContact O-N 3.39Å; M251-Q253 VanDerWaalsContact C-N 3.32Å; M251-Q253 PolarHBondContact O-N 3.44Å; M251-L254 HydrophobicContact CE-CD2 4.06Å; M251-L254 WeakPolarHBondContact O-CB 3.33Å; M251-L254 PolarHBondContact O-N 3.33Å; M251-L254 HydrophobicContact SD-CD2 4.08Å; M251-Q255 WeakPolarHBondContact O-CB 3.44Å; M251-Q255 PolarHBondContact O-N 3.31Å |
| 252 | Q | 81.1 | Confident | 80.9 | Confident | 56 Ų | 56 | 55 Ų | 55 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 173.6 | -175.2 | 63.1 | 69.9 | 0 | 0 | 111.4 | L248 E249 Q255 D256 A284 | L248-Q252 PolarHBondContact O-N 3.45Å; E249-Q252 WeakPolarHBondContact O-CB 3.48Å; E249-Q252 PolarHBondContact O-N 2.87Å; Q252-Q255 WeakPolarHBondContact O-CB 2.81Å; Q252-Q255 PolarHBondContact O-N 3.49Å; Q252-D256 PolarHBondContact O-N 3.09Å; Q252-A284 HydrophobicContact CG-CB 4.42Å |
| 253 | Q | 84 | Confident | 81.1 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 173.9 | -71.3 | 177.7 | -9.9 | 0 | 0 | 112.1 | V221 E249 L250 M251 Q255 D256 L257 | V221-Q253 HydrophobicContact CG1-CB 4.49Å; E249-Q253 WeakPolarHBondContact O-CG 3.2Å; E249-Q253 PolarHBondContact O-N 2.73Å; L250-Q253 WeakPolarHBondContact O-CB 3.48Å; L250-Q253 PolarHBondContact O-N 2.88Å; M251-Q253 VanDerWaalsContact C-N 3.32Å; M251-Q253 PolarHBondContact O-N 3.44Å; Q253-Q255 PolarHBondContact O-N 3.16Å; Q253-D256 PolarHBondContact O-N 3.36Å; Q253-L257 VanDerWaalsContact O-CG 3.29Å; Q253-L257 WeakPolarHBondContact O-CG 3.12Å; Q253-L257 PolarHBondContact O-N 3.18Å; Q253-L257 VanDerWaalsContact O-N 3.09Å |
| 254 | L | 84.1 | Confident | 81 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 175.9 | -171.8 | 64.1 | 0 | 0 | 0 | 110.8 | Q218 V221 M222 L250 M251 L257 F274 | Q218-L254 HydrophobicContact CB-CD1 3.76Å; Q218-L254 HydrophobicContact CG-CD1 3.96Å; V221-L254 HydrophobicContact CB-CD1 4.35Å; V221-L254 HydrophobicContact CG1-CB 3.92Å; V221-L254 HydrophobicContact CG1-CD1 4.34Å; M222-L254 HydrophobicContact CE-CD1 4.07Å; M222-L254 HydrophobicContact CE-CD2 3.78Å; M222-L254 HydrophobicContact CE-CG 4.4Å; M222-L254 HydrophobicContact CG-CD1 3.75Å; M222-L254 HydrophobicContact CG-CD2 3.78Å; M222-L254 HydrophobicContact CG-CG 4.44Å; M222-L254 HydrophobicContact SD-CD1 4.47Å; L250-L254 WeakPolarHBondContact O-CB 3.18Å; L250-L254 PolarHBondContact O-N 3.25Å; M251-L254 HydrophobicContact CE-CD2 4.06Å; M251-L254 WeakPolarHBondContact O-CB 3.33Å; M251-L254 PolarHBondContact O-N 3.33Å; M251-L254 HydrophobicContact SD-CD2 4.08Å; L254-L257 PolarHBondContact O-N 2.74Å; L254-F274 HydrophobicContact CD2-CE1 4.15Å |
| 255 | Q | 77.8 | Confident | 80.4 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 173.1 | 161.5 | 156.5 | 33.1 | 0 | 0 | 112.3 | M251 Q252 Q253 L257 G258 L276 L279 | M251-Q255 WeakPolarHBondContact O-CB 3.44Å; M251-Q255 PolarHBondContact O-N 3.31Å; Q252-Q255 WeakPolarHBondContact O-CB 2.81Å; Q252-Q255 PolarHBondContact O-N 3.49Å; Q253-Q255 PolarHBondContact O-N 3.16Å; Q255-L257 PolarHBondContact O-N 3.19Å; Q255-G258 WeakPolarHBondContact O-CA 3.19Å; Q255-G258 PolarHBondContact O-N 3.48Å; Q255-L276 HydrophobicContact CB-CD1 3.82Å; Q255-L276 HydrophobicContact CB-CD2 4.04Å; Q255-L276 HydrophobicContact CB-CG 4.44Å; Q255-L276 VanDerWaalsContact CD-CD1 3.43Å; Q255-L276 HydrophobicContact CG-CD1 3.52Å; Q255-L276 HydrophobicContact CG-CD2 3.78Å; Q255-L276 HydrophobicContact CG-CG 3.92Å; Q255-L276 VanDerWaalsContact NE2-CD1 3.27Å; Q255-L276 WeakPolarHBondContact O-CD2 3.25Å; Q255-L279 PolarHBondContact NE2-O 3.3Å |
| 256 | D | 80.4 | Confident | 79.2 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -28.1 | 176.9 | -100.4 | -84.4 | 0 | 0 | 0 | 113.3 | Q252 Q253 G258 A284 S285 | Q252-D256 PolarHBondContact O-N 3.09Å; Q253-D256 PolarHBondContact O-N 3.36Å; D256-G258 PolarHBondContact O-N 2.82Å; D256-A284 WeakPolarHBondContact OD2-CB 3.31Å; D256-S285 WeakPolarHBondContact OD1-CB 3.35Å; D256-S285 PolarHBondContact OD1-OG 2.94Å |
| 257 | L | 82.4 | Confident | 77.7 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -10.2 | 174.9 | -65.5 | 166.7 | 0 | 0 | 0 | 113.5 | Q217 Q218 V221 Q253 L254 Q255 | Q217-L257 HydrophobicContact CB-CD1 3.89Å; Q217-L257 HydrophobicContact CB-CD2 3.97Å; Q217-L257 HydrophobicContact CG-CD1 3.49Å; Q217-L257 VanDerWaalsContact CG-CD1 3.49Å; Q217-L257 HydrophobicContact CG-CD2 3.73Å; Q217-L257 HydrophobicContact CG-CG 4.26Å; Q218-L257 HydrophobicContact CG-CB 3.54Å; Q218-L257 HydrophobicContact CG-CD1 4.04Å; Q218-L257 HydrophobicContact CG-CG 4.42Å; Q218-L257 PolarHBondContact NE2-O 3.39Å; V221-L257 HydrophobicContact CG2-CD1 4.02Å; Q253-L257 VanDerWaalsContact O-CG 3.29Å; Q253-L257 WeakPolarHBondContact O-CG 3.12Å; Q253-L257 PolarHBondContact O-N 3.18Å; Q253-L257 VanDerWaalsContact O-N 3.09Å; L254-L257 PolarHBondContact O-N 2.74Å; Q255-L257 PolarHBondContact O-N 3.19Å |
| 258 | G | 78.9 | Confident | 76 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | trans | 92.5 | -167.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q218 Q255 D256 | Q218-G258 PolarHBondContact NE2-O 3.18Å; Q255-G258 WeakPolarHBondContact O-CA 3.19Å; Q255-G258 PolarHBondContact O-N 3.48Å; D256-G258 PolarHBondContact O-N 2.82Å | ||
| 259 | Q | 74.8 | Confident | 74.4 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 137.5 | -174.8 | -55.6 | 173.3 | -1.4 | 0 | 0 | 110.8 | Q218 L276 | Q218-Q259 PolarHBondContact NE2-O 3.19Å; Q259-L276 HydrophobicContact CG-CB 4.15Å |
| 260 | P | 78.6 | Confident | 72.6 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 157.5 | 167.3 | 25.2 | -30 | 0 | 0 | 0 | 111.4 | Y196 Q218 M222 K262 A265 F274 | Y196-P260 HydrophobicContact CE2-CB 4.47Å; Y196-P260 WeakPolarHBondContact OH-CB 3.26Å; Q218-P260 VanDerWaalsContact OE1-CA 3.24Å; M222-P260 HydrophobicContact CE-CB 4.11Å; M222-P260 HydrophobicContact CE-CG 4.33Å; P260-K262 PolarHBondContact O-N 3.37Å; P260-A265 HydrophobicContact CB-CB 4.24Å; P260-A265 HydrophobicContact CG-CB 3.79Å; P260-F274 HydrophobicContact CG-CB 3.71Å; P260-F274 HydrophobicContact CG-CD1 4.43Å; P260-F274 HydrophobicContact CG-CD2 4.04Å; P260-F274 HydrophobicContact CG-CG 3.83Å |
| 261 | P | 80.1 | Confident | 70.8 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 129.3 | 175.3 | -25.8 | 34.9 | 0 | 0 | 0 | 111.2 | Y196 W199 Y215 E263 L264 A265 | Y196-P261 HydrophobicContact CE1-CG 4.39Å; Y196-P261 WeakPolarHBondContact OH-CD 3.48Å; W199-P261 HydrophobicContact CD2-CB 4.1Å; W199-P261 HydrophobicContact CD2-CG 4.08Å; W199-P261 HydrophobicContact CE3-CB 4.26Å; W199-P261 HydrophobicContact CE3-CG 3.74Å; W199-P261 HydrophobicContact CH2-CB 3.64Å; W199-P261 HydrophobicContact CH2-CG 3.39Å; W199-P261 HydrophobicContact CZ2-CB 3.46Å; W199-P261 VanDerWaalsContact CZ2-CB 3.46Å; W199-P261 HydrophobicContact CZ2-CG 3.77Å; W199-P261 HydrophobicContact CZ3-CB 4.05Å; W199-P261 HydrophobicContact CZ3-CG 3.38Å; Y215-P261 HydrophobicContact CD1-CG 3.92Å; Y215-P261 HydrophobicContact CD2-CG 4.42Å; Y215-P261 HydrophobicContact CE1-CG 3.84Å; Y215-P261 HydrophobicContact CE2-CG 4.33Å; Y215-P261 HydrophobicContact CG-CG 4.23Å; P261-E263 PolarHBondContact O-N 3.37Å; P261-E263 VanDerWaalsContact O-N 3.1Å; P261-L264 HydrophobicContact CB-CB 4.35Å; P261-L264 HydrophobicContact CB-CD1 4.14Å; P261-L264 HydrophobicContact CB-CG 4.23Å; P261-L264 HydrophobicContact CG-CD1 3.93Å; P261-L264 WeakPolarHBondContact O-CA 2.94Å; P261-L264 WeakPolarHBondContact O-CB 3.48Å; P261-L264 PolarHBondContact O-N 3.47Å; P261-A265 WeakPolarHBondContact O-CB 3.31Å; P261-A265 PolarHBondContact O-N 3.25Å |
| 262 | K | 72.5 | Confident | 69.4 | Low | 174 Ų | 174 | 54.3 Ų | 54.3 | 76% | 0.757 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.6 | -176.5 | -66.5 | -175.5 | 176.2 | -175.6 | 0 | 113.4 | P260 L264 | P260-K262 PolarHBondContact O-N 3.37Å; K262-L264 VanDerWaalsContact C-N 3.3Å |
| 263 | E | 79.2 | Confident | 68 | Low | 150 Ų | 150 | 56.2 Ų | 56.2 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.7 | 176.2 | -61.3 | 178 | 97.3 | 0 | 0 | 112.8 | W199 P261 | W199-E263 PolarHBondContact NE1-OE2 2.93Å; P261-E263 PolarHBondContact O-N 3.37Å; P261-E263 VanDerWaalsContact O-N 3.1Å |
| 264 | L | 75.3 | Confident | 66.5 | Low | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -34.7 | 176.9 | -66.3 | 178.1 | 0 | 0 | 0 | 112.1 | I192 K195 Y196 W199 P261 K262 G266 | I192-L264 WeakPolarHBondContact CG1-O 3.12Å; I192-L264 HydrophobicContact CG2-CB 4.41Å; K195-L264 HydrophobicContact CB-CD2 3.6Å; Y196-L264 HydrophobicContact CD1-CD1 3.81Å; Y196-L264 HydrophobicContact CD2-CD1 3.61Å; Y196-L264 HydrophobicContact CE1-CD1 3.98Å; Y196-L264 HydrophobicContact CE2-CD1 3.77Å; Y196-L264 HydrophobicContact CG-CD1 3.64Å; W199-L264 HydrophobicContact CB-CD1 3.83Å; W199-L264 HydrophobicContact CB-CD2 3.83Å; W199-L264 HydrophobicContact CB-CG 4.06Å; W199-L264 HydrophobicContact CD2-CD1 3.97Å; W199-L264 HydrophobicContact CD2-CG 4.34Å; W199-L264 HydrophobicContact CE3-CD1 4.18Å; W199-L264 HydrophobicContact CG-CD1 3.81Å; W199-L264 HydrophobicContact CG-CD2 4.11Å; W199-L264 HydrophobicContact CG-CG 3.88Å; P261-L264 HydrophobicContact CB-CB 4.35Å; P261-L264 HydrophobicContact CB-CD1 4.14Å; P261-L264 HydrophobicContact CB-CG 4.23Å; P261-L264 HydrophobicContact CG-CD1 3.93Å; P261-L264 WeakPolarHBondContact O-CA 2.94Å; P261-L264 WeakPolarHBondContact O-CB 3.48Å; P261-L264 PolarHBondContact O-N 3.47Å; K262-L264 VanDerWaalsContact C-N 3.3Å; L264-G266 PolarHBondContact O-N 2.95Å |
| 265 | A | 65.4 | Low | 64.7 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -76.6 | 6.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P260 P261 E267 | P260-A265 HydrophobicContact CB-CB 4.24Å; P260-A265 HydrophobicContact CG-CB 3.79Å; P261-A265 WeakPolarHBondContact O-CB 3.31Å; P261-A265 PolarHBondContact O-N 3.25Å; A265-E267 PolarHBondContact O-N 2.91Å |
| 266 | G | 58.8 | Low | 63 | Low | 46 Ų | 46 | 57.4 Ų | 57.4 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 135.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L264 S268 | L264-G266 PolarHBondContact O-N 2.95Å; G266-S268 PolarHBondContact O-N 2.95Å |
| 267 | E | 52.9 | Low | 61.2 | Low | 113 Ų | 113 | 61.8 Ų | 61.8 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 38.7 | 57.1 | -179.5 | -78.2 | 179 | 112.6 | 0 | 0 | 115.2 | F64 F68 A265 | F64-E267 WeakPolarHBondContact CE1-OE2 3.29Å; F64-E267 HydrophobicContact CZ-CG 3.94Å; F64-E267 WeakPolarHBondContact CZ-OE2 3.36Å; F68-E267 VanDerWaalsContact CE2-OE2 3.24Å; F68-E267 WeakPolarHBondContact CE2-OE2 3.41Å; A265-E267 PolarHBondContact O-N 2.91Å |
| 268 | S | 50.8 | Low | 59.3 | Low | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 147 | 158.1 | 57 | 0 | 0 | 0 | 0 | 110.6 | G266 L272 N273 | G266-S268 PolarHBondContact O-N 2.95Å; S268-L272 WeakPolarHBondContact CB-O 3.44Å; S268-L272 PolarHBondContact OG-O 3.32Å; S268-N273 WeakPolarHBondContact OG-CA 3.12Å; S268-N273 PolarHBondContact OG-N 2.82Å; S268-N273 PolarHBondContact OG-OD1 3.26Å |
| 269 | P | 49.8 | Very low | 57.5 | Low | 23 Ų | 23 | 65.7 Ų | 65.7 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 145.2 | 177.8 | -22.8 | 29.3 | 0 | 0 | 0 | 111.7 | V184 G271 L272 | V184-P269 HydrophobicContact CG1-CB 4.41Å; V184-P269 HydrophobicContact CG1-CG 4.36Å; P269-G271 PolarHBondContact O-N 3.36Å; P269-G271 VanDerWaalsContact O-N 3.08Å; P269-L272 HydrophobicContact CB-CB 4.24Å; P269-L272 HydrophobicContact CB-CD1 4.24Å; P269-L272 HydrophobicContact CG-CB 4.3Å; P269-L272 HydrophobicContact CG-CD1 3.91Å; P269-L272 WeakPolarHBondContact O-CA 3.28Å; P269-L272 PolarHBondContact O-N 3.24Å |
| 270 | P | 45.9 | Very low | 55.9 | Low | 126 Ų | 126 | 67.7 Ų | 67.7 | 82% | 0.818 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 120.6 | 173.4 | 21.2 | -30.7 | 0 | 0 | 0 | 109.7 | ||
| 271 | G | 50.8 | Low | 54 | Low | 49 Ų | 49 | 70.9 Ų | 70.9 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | -13.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L179 P269 | L179-G271 WeakPolarHBondContact CD2-O 3.46Å; P269-G271 PolarHBondContact O-N 3.36Å; P269-G271 VanDerWaalsContact O-N 3.08Å |
| 272 | L | 53.3 | Low | 51.9 | Low | 16 Ų | 16 | 74.6 Ų | 74.6 | 8% | 0.084 | 42% | 0.418 | C | S | . | . | trans | -112.2 | 17.4 | 171.8 | -84.7 | 170.7 | 0 | 0 | 0 | 112.5 | L179 L180 L185 S268 P269 F274 | L179-L272 HydrophobicContact CB-CD1 4.44Å; L179-L272 HydrophobicContact CB-CG 4.37Å; L179-L272 HydrophobicContact CD2-CG 4.11Å; L180-L272 HydrophobicContact CD2-CD2 4.34Å; L185-L272 HydrophobicContact CB-CD1 4.44Å; L185-L272 HydrophobicContact CD1-CD1 3.61Å; L185-L272 HydrophobicContact CD1-CD2 4.29Å; S268-L272 WeakPolarHBondContact CB-O 3.44Å; S268-L272 PolarHBondContact OG-O 3.32Å; P269-L272 HydrophobicContact CB-CB 4.24Å; P269-L272 HydrophobicContact CB-CD1 4.24Å; P269-L272 HydrophobicContact CG-CB 4.3Å; P269-L272 HydrophobicContact CG-CD1 3.91Å; P269-L272 WeakPolarHBondContact O-CA 3.28Å; P269-L272 PolarHBondContact O-N 3.24Å; L272-F274 PolarHBondContact O-N 3.24Å | ||
| 273 | N | 52.7 | Low | 50.1 | Low | 95 Ų | 95 | 70 Ų | 70 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | trans | -52.9 | 111.2 | 166.8 | -97.6 | -68.9 | 0 | 0 | 0 | 108.1 | S268 D275 | S268-N273 WeakPolarHBondContact OG-CA 3.12Å; S268-N273 PolarHBondContact OG-N 2.82Å; S268-N273 PolarHBondContact OG-OD1 3.26Å; N273-D275 HydrophobicContact CB-CB 4.33Å; N273-D275 PolarHBondContact O-N 3.44Å | ||
| 274 | F | 51.3 | Low | 48.1 | Very low | 32 Ų | 32 | 65 Ų | 65 | 14% | 0.14 | 41% | 0.405 | C | S | . | . | trans | -66.6 | 18.7 | 173.9 | -59.4 | -80.7 | 0 | 0 | 0 | 111.8 | L189 I192 L254 P260 L272 L276 | L189-F274 HydrophobicContact CD2-CZ 4.11Å; I192-F274 HydrophobicContact CD1-CE2 4.11Å; L254-F274 HydrophobicContact CD2-CE1 4.15Å; P260-F274 HydrophobicContact CG-CB 3.71Å; P260-F274 HydrophobicContact CG-CD1 4.43Å; P260-F274 HydrophobicContact CG-CD2 4.04Å; P260-F274 HydrophobicContact CG-CG 3.83Å; L272-F274 PolarHBondContact O-N 3.24Å; F274-L276 PolarHBondContact O-N 3.47Å | ||
| 275 | D | 47.2 | Very low | 46 | Very low | 88 Ų | 88 | 69 Ų | 69 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | trans | -64.9 | 76.5 | 160.2 | -166.7 | -100.5 | 0 | 0 | 0 | 108.4 | N273 E277 S278 | N273-D275 HydrophobicContact CB-CB 4.33Å; N273-D275 PolarHBondContact O-N 3.44Å; D275-E277 PolarHBondContact O-N 3.45Å; D275-S278 PolarHBondContact O-N 3.19Å; D275-S278 VanDerWaalsContact O-N 3.12Å | ||
| 276 | L | 42.3 | Very low | 44.5 | Very low | 27 Ų | 27 | 71.8 Ų | 71.8 | 14% | 0.141 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -73.8 | -10.2 | -166.8 | -162.7 | 63.6 | 0 | 0 | 0 | 113.2 | Q255 Q259 F274 S278 L279 N280 | Q255-L276 HydrophobicContact CB-CD1 3.82Å; Q255-L276 HydrophobicContact CB-CD2 4.04Å; Q255-L276 HydrophobicContact CB-CG 4.44Å; Q255-L276 VanDerWaalsContact CD-CD1 3.43Å; Q255-L276 HydrophobicContact CG-CD1 3.52Å; Q255-L276 HydrophobicContact CG-CD2 3.78Å; Q255-L276 HydrophobicContact CG-CG 3.92Å; Q255-L276 VanDerWaalsContact NE2-CD1 3.27Å; Q255-L276 WeakPolarHBondContact O-CD2 3.25Å; Q259-L276 HydrophobicContact CG-CB 4.15Å; F274-L276 PolarHBondContact O-N 3.47Å; L276-S278 PolarHBondContact O-N 3.18Å; L276-L279 HydrophobicContact CD1-CB 4.05Å; L276-L279 PolarHBondContact O-N 3.16Å; L276-N280 PolarHBondContact O-N 3.48Å; L276-N280 VanDerWaalsContact O-N 3.09Å |
| 277 | E | 43 | Very low | 43.4 | Very low | 167 Ų | 167 | 74.7 Ų | 74.7 | 78% | 0.78 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.8 | -27.3 | 168.9 | -87.2 | 178.9 | 78.9 | 0 | 0 | 111.5 | D275 | D275-E277 PolarHBondContact O-N 3.45Å |
| 278 | S | 42.4 | Very low | 42.3 | Very low | 76 Ų | 76 | 73.3 Ų | 73.3 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -90.1 | -22.9 | 177 | -155.7 | 0 | 0 | 0 | 0 | 113.5 | D275 L276 | D275-S278 PolarHBondContact O-N 3.19Å; D275-S278 VanDerWaalsContact O-N 3.12Å; L276-S278 PolarHBondContact O-N 3.18Å |
| 279 | L | 41.2 | Very low | 41.3 | Very low | 75 Ų | 75 | 77.2 Ų | 77.2 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -101.4 | 3.8 | -178 | -84.2 | 169 | 0 | 0 | 0 | 114.3 | Q255 L276 L281 | Q255-L279 PolarHBondContact NE2-O 3.3Å; L276-L279 HydrophobicContact CD1-CB 4.05Å; L276-L279 PolarHBondContact O-N 3.16Å; L279-L281 VanDerWaalsContact C-N 3.27Å; L279-L281 PolarHBondContact O-N 2.72Å |
| 280 | N | 41.3 | Very low | 40.8 | Very low | 107 Ų | 107 | 81 Ų | 81 | 57% | 0.572 | 57% | 0.566 | S | S | * | * | trans | -65 | 87.4 | 177.1 | -156.8 | -15.4 | 0 | 0 | 0 | 110.3 | L276 P282 | L276-N280 PolarHBondContact O-N 3.48Å; L276-N280 VanDerWaalsContact O-N 3.09Å; N280-P282 VanDerWaalsContact O-CD 3.26Å; N280-P282 WeakPolarHBondContact O-CD 3.29Å; N280-P282 VanDerWaalsContact O-N 3.13Å | ||
| 281 | L | 38.5 | Very low | 40.4 | Very low | 76 Ų | 76 | 83.5 Ų | 83.5 | 40% | 0.398 | 57% | 0.567 | S | S | . | * | trans | -55.8 | 113.1 | 163.7 | -77.7 | 156 | 0 | 0 | 0 | 106.3 | M172 M176 L279 G283 | M172-L281 HydrophobicContact CE-CD2 4.39Å; M176-L281 HydrophobicContact CE-CD1 4.22Å; L279-L281 VanDerWaalsContact C-N 3.27Å; L279-L281 PolarHBondContact O-N 2.72Å; L281-G283 VanDerWaalsContact C-N 3.32Å; L281-G283 PolarHBondContact O-N 2.91Å | ||
| 282 | P | 34.7 | Very low | 40.2 | Very low | 83 Ų | 83 | 90.1 Ų | 90.1 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | 93.8 | -174.8 | 27.6 | -30.9 | 0 | 0 | 0 | 108.4 | T110 N280 | T110-P282 HydrophobicContact CG2-CB 3.81Å; T110-P282 HydrophobicContact CG2-CG 4.09Å; N280-P282 VanDerWaalsContact O-CD 3.26Å; N280-P282 WeakPolarHBondContact O-CD 3.29Å; N280-P282 VanDerWaalsContact O-N 3.13Å |
| 283 | G | 35.2 | Very low | 39.4 | Very low | 77 Ų | 77 | 95.6 Ų | 95.6 | 79% | 0.794 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.9 | -25.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | L281 | L281-G283 VanDerWaalsContact C-N 3.32Å; L281-G283 PolarHBondContact O-N 2.91Å |
| 284 | A | 38 | Very low | 38.4 | Very low | 46 Ų | 46 | 96.5 Ų | 96.5 | 38% | 0.38 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -100.9 | -27.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117 | Q252 D256 | Q252-A284 HydrophobicContact CG-CB 4.42Å; D256-A284 WeakPolarHBondContact OD2-CB 3.31Å |
| 285 | S | 31.5 | Very low | 37.8 | Very low | 99 Ų | 99 | 102.7 Ų | 102.7 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | trans | -124.7 | 96.6 | -175.2 | -105.8 | 0 | 0 | 0 | 0 | 113.1 | D256 | D256-S285 WeakPolarHBondContact OD1-CB 3.35Å; D256-S285 PolarHBondContact OD1-OG 2.94Å | ||
| 286 | G | 33.3 | Very low | 37.4 | Very low | 77 Ų | 77 | 110.7 Ų | 110.7 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -75 | 137 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 287 | A | 35 | Very low | 37.1 | Very low | 108 Ų | 108 | 114.9 Ų | 114.9 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | trans | 101.1 | 102.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 288 | G | 29.9 | Very low | 36.8 | Very low | 84 Ų | 84 | 112.2 Ų | 112.2 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | trans | 95 | 125.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 289 | A | 29 | Very low | 36.5 | Very low | 90 Ų | 90 | 114.2 Ų | 114.2 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | cis | -144.6 | 134 | 16.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | E291 | A289-E291 HydrophobicContact CB-CG 4.46Å; A289-E291 PolarHBondContact O-N 2.77Å; A289-E291 VanDerWaalsContact O-N 3.13Å | ||
| 290 | A | 40 | Very low | 36.2 | Very low | 102 Ų | 102 | 116.5 Ų | 116.5 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -69 | 101.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 291 | E | 37.8 | Very low | 35.9 | Very low | 180 Ų | 180 | 117.1 Ų | 117.1 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -108.7 | 106.2 | 163.4 | -64.2 | -131.2 | 101.8 | 0 | 0 | 108.9 | A289 C293 | A289-E291 HydrophobicContact CB-CG 4.46Å; A289-E291 PolarHBondContact O-N 2.77Å; A289-E291 VanDerWaalsContact O-N 3.13Å; E291-C293 PolarHBondContact O-N 3.26Å | ||
| 292 | Q | 46.5 | Very low | 35.8 | Very low | 187 Ų | 187 | 119.8 Ų | 119.8 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -51.7 | 123.6 | 171.1 | -61.7 | 162.3 | 18.2 | 0 | 0 | 109.8 | ||||
| 293 | C | 36.1 | Very low | 35.8 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -113.2 | 107 | 158.2 | -84.8 | 0 | 0 | 0 | 0 | 109.2 | E291 | E291-C293 PolarHBondContact O-N 3.26Š| ||
| 294 | S | 32.4 | Very low | 35.9 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -56 | 132.5 | -174.4 | -161.7 | 0 | 0 | 0 | 0 | 112.3 | M296 | S294-M296 PolarHBondContact O-N 3.31Š| ||
| 295 | I | 38.8 | Very low | 35.7 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 84% | 0.836 | 86% | 0.86 | S | S | * | * | trans | -54.5 | 130 | 157 | -74 | 155.4 | 0 | 0 | 0 | 108.5 | ||||
| 296 | M | 38.1 | Very low | 36.1 | Very low | 256 Ų | 256 | 135.6 Ų | 135.6 | 100% | 1.261 | 88% | 0.876 | S | S | * | * | trans | -133.5 | 0 | 158.9 | -130.2 | -177.7 | -171.3 | 0 | 0 | 108.7 | S294 | S294-M296 PolarHBondContact O-N 3.31Š|
Retrieved 296 of 296 residues in 737.1 ms
(Link to these results)