| 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 | 58.2 | Low | 67.3 | Low | 197 Ų | 197 | 115.8 Ų | 115.8 | 97% | 0.97 | 62% | 0.621 | S | S | * | * | 0 | -51.5 | 0 | -106.7 | -168 | -79.7 | 0 | 0 | 112.7 | A3 L4 I5 | M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.36Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-I5 PolarHBondContact O-N 3.08Å | |||
| 2 | E | 65.3 | Low | 67.2 | Low | 159 Ų | 159 | 118.7 Ų | 118.7 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -55.2 | -40.6 | 179.8 | -72.2 | -173.9 | 144.1 | 0 | 0 | 114.6 | L4 I5 N6 | E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 2.88Å; E2-I5 PolarHBondContact O-N 3.47Å; E2-N6 WeakPolarHBondContact O-CB 3.46Å; E2-N6 PolarHBondContact O-N 3.2Å |
| 3 | A | 70.7 | Confident | 66.7 | Low | 78 Ų | 78 | 117.8 Ų | 117.8 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.4 | -34.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 K7 | M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.36Å; A3-K7 PolarHBondContact O-N 3.08Å |
| 4 | L | 71.9 | Confident | 66.4 | Low | 123 Ų | 123 | 115.8 Ų | 115.8 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.5 | -41.5 | 176.6 | -107.8 | 147.9 | 0 | 0 | 0 | 111.1 | M1 E2 K7 V8 | M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 2.92Å; E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 2.88Å; L4-K7 PolarHBondContact O-N 3.26Å; L4-V8 WeakPolarHBondContact O-CG2 3.34Å; L4-V8 PolarHBondContact O-N 3.28Å |
| 5 | I | 72.2 | Confident | 66.2 | Low | 105 Ų | 105 | 113.7 Ų | 113.7 | 54% | 0.538 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.3 | -44.2 | 175.1 | -65.1 | 169.2 | 0 | 0 | 0 | 110.4 | M1 E2 V8 A9 | M1-I5 PolarHBondContact O-N 3.08Å; E2-I5 PolarHBondContact O-N 3.47Å; I5-V8 PolarHBondContact O-N 3.32Å; I5-A9 WeakPolarHBondContact O-CB 3.44Å; I5-A9 PolarHBondContact O-N 2.97Å |
| 6 | N | 69.7 | Low | 65.8 | Low | 105 Ų | 105 | 109.8 Ų | 109.8 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.4 | -40.3 | 177.2 | -79.5 | -18.3 | 0 | 0 | 0 | 112.3 | E2 A9 L10 | E2-N6 WeakPolarHBondContact O-CB 3.46Å; E2-N6 PolarHBondContact O-N 3.2Å; N6-A9 PolarHBondContact O-N 3.35Å; N6-L10 WeakPolarHBondContact O-CB 3.33Å; N6-L10 PolarHBondContact O-N 2.87Å |
| 7 | K | 68.9 | Low | 65.3 | Low | 165 Ų | 165 | 112.1 Ų | 112.1 | 72% | 0.717 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.8 | -45.3 | 173.6 | -100.7 | -176 | 174.3 | -179 | 0 | 112.3 | A3 L4 L10 N11 | A3-K7 PolarHBondContact O-N 3.08Å; L4-K7 PolarHBondContact O-N 3.26Å; K7-L10 PolarHBondContact O-N 2.94Å; K7-N11 WeakPolarHBondContact O-CB 3.39Å; K7-N11 PolarHBondContact O-N 2.88Å |
| 8 | V | 69.6 | Low | 64.8 | Low | 83 Ų | 83 | 111.6 Ų | 111.6 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.3 | -38.8 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | L4 I5 K12 | L4-V8 WeakPolarHBondContact O-CG2 3.34Å; L4-V8 PolarHBondContact O-N 3.28Å; I5-V8 PolarHBondContact O-N 3.32Å; V8-K12 PolarHBondContact O-N 3.29Å |
| 9 | A | 65 | Low | 64.3 | Low | 46 Ų | 46 | 111.3 Ų | 111.3 | 38% | 0.38 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.7 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I5 N6 N13 | I5-A9 WeakPolarHBondContact O-CB 3.44Å; I5-A9 PolarHBondContact O-N 2.97Å; N6-A9 PolarHBondContact O-N 3.35Å; A9-N13 PolarHBondContact O-N 3.05Å; A9-N13 VanDerWaalsContact O-N 3.08Å |
| 10 | L | 64.5 | Low | 63.7 | Low | 123 Ų | 123 | 111.5 Ų | 111.5 | 64% | 0.644 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64 | -43.1 | 174.8 | -110.8 | 145.8 | 0 | 0 | 0 | 111.9 | N6 K7 N13 M14 | N6-L10 WeakPolarHBondContact O-CB 3.33Å; N6-L10 PolarHBondContact O-N 2.87Å; K7-L10 PolarHBondContact O-N 2.94Å; L10-N13 PolarHBondContact O-N 3.05Å; L10-M14 WeakPolarHBondContact O-CB 3.43Å; L10-M14 PolarHBondContact O-N 3.06Å |
| 11 | N | 64.6 | Low | 63.1 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 48% | 0.481 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -43.2 | 179.3 | -136.1 | 29 | 0 | 0 | 0 | 111.3 | K7 N13 M14 D15 | K7-N11 WeakPolarHBondContact O-CB 3.39Å; K7-N11 PolarHBondContact O-N 2.88Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N11-N13 PolarHBondContact O-N 2.81Å; N11-M14 PolarHBondContact O-N 2.92Å; N11-D15 WeakPolarHBondContact O-CB 3.3Å; N11-D15 VanDerWaalsContact O-CG 3.25Å; N11-D15 PolarHBondContact O-N 2.89Å |
| 12 | K | 66.2 | Low | 62.6 | Low | 150 Ų | 150 | 107.3 Ų | 107.3 | 65% | 0.652 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.7 | -38.9 | 174.1 | -97 | -176.5 | 174.6 | 177.3 | 0 | 113.3 | V8 S16 | V8-K12 PolarHBondContact O-N 3.29Å; K12-S16 WeakPolarHBondContact O-CB 3.49Å; K12-S16 PolarHBondContact O-N 3.25Å; K12-S16 PolarHBondContact O-OG 2.93Å |
| 13 | N | 60.3 | Low | 61.9 | Low | 107 Ų | 107 | 105.6 Ų | 105.6 | 57% | 0.572 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.6 | -40.2 | 177 | -78.8 | -10.4 | 0 | 0 | 0 | 111.7 | A9 L10 N11 S16 E17 | A9-N13 PolarHBondContact O-N 3.05Å; A9-N13 VanDerWaalsContact O-N 3.08Å; L10-N13 PolarHBondContact O-N 3.05Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N11-N13 PolarHBondContact O-N 2.81Å; N13-S16 WeakPolarHBondContact CA-OG 3.33Å; N13-S16 PolarHBondContact O-N 3.33Å; N13-S16 PolarHBondContact O-OG 2.91Å; N13-S16 VanDerWaalsContact O-OG 3.07Å; N13-E17 WeakPolarHBondContact O-CB 3.45Å; N13-E17 WeakPolarHBondContact O-CG 3.37Å; N13-E17 PolarHBondContact O-N 3.07Å |
| 14 | M | 62 | Low | 60.9 | Low | 90 Ų | 90 | 110.1 Ų | 110.1 | 44% | 0.443 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.5 | -42.8 | 176.6 | -169.4 | 177.9 | 65.2 | 0 | 0 | 111.6 | L10 N11 E17 Q18 | L10-M14 WeakPolarHBondContact O-CB 3.43Å; L10-M14 PolarHBondContact O-N 3.06Å; N11-M14 PolarHBondContact O-N 2.92Å; M14-E17 PolarHBondContact O-N 2.97Å; M14-Q18 WeakPolarHBondContact O-CB 3.46Å; M14-Q18 VanDerWaalsContact O-CG 3.3Å; M14-Q18 WeakPolarHBondContact O-CG 3.45Å; M14-Q18 PolarHBondContact O-N 3.23Å |
| 15 | D | 64.2 | Low | 59.5 | Low | 84 Ų | 84 | 112.6 Ų | 112.6 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 177.2 | -70.4 | -26.6 | 0 | 0 | 0 | 111.6 | N11 Q18 L19 | N11-D15 WeakPolarHBondContact O-CB 3.3Å; N11-D15 VanDerWaalsContact O-CG 3.25Å; N11-D15 PolarHBondContact O-N 2.89Å; D15-Q18 PolarHBondContact O-N 3.48Å; D15-L19 VanDerWaalsContact O-CB 3.25Å; D15-L19 WeakPolarHBondContact O-CB 3.46Å; D15-L19 PolarHBondContact O-N 3.48Å |
| 16 | S | 59.8 | Low | 58.2 | Low | 51 Ų | 51 | 112.5 Ų | 112.5 | 36% | 0.357 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.4 | -35.1 | 177.4 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | K12 N13 H20 | K12-S16 WeakPolarHBondContact O-CB 3.49Å; K12-S16 PolarHBondContact O-N 3.25Å; K12-S16 PolarHBondContact O-OG 2.93Å; N13-S16 WeakPolarHBondContact CA-OG 3.33Å; N13-S16 PolarHBondContact O-N 3.33Å; N13-S16 PolarHBondContact O-OG 2.91Å; N13-S16 VanDerWaalsContact O-OG 3.07Å; S16-H20 VanDerWaalsContact O-CB 3.32Å; S16-H20 WeakPolarHBondContact O-CB 3.47Å; S16-H20 PolarHBondContact O-CD2 3.15Å; S16-H20 VanDerWaalsContact O-CD2 3.27Å; S16-H20 PolarHBondContact O-N 3.08Å |
| 17 | E | 57.6 | Low | 57.4 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 70% | 0.696 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.8 | -40 | 170.2 | -76.8 | -162.2 | 151.6 | 0 | 0 | 112.1 | N13 M14 A21 | N13-E17 WeakPolarHBondContact O-CB 3.45Å; N13-E17 WeakPolarHBondContact O-CG 3.37Å; N13-E17 PolarHBondContact O-N 3.07Å; M14-E17 PolarHBondContact O-N 2.97Å; E17-A21 WeakPolarHBondContact O-CB 3.5Å; E17-A21 PolarHBondContact O-N 3.44Å |
| 18 | Q | 55.5 | Low | 56.9 | Low | 104 Ų | 104 | 112.1 Ų | 112.1 | 49% | 0.486 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.6 | -38.2 | 175.8 | -73.7 | -172.3 | 7.1 | 0 | 0 | 112.5 | M14 D15 A21 R22 | M14-Q18 WeakPolarHBondContact O-CB 3.46Å; M14-Q18 VanDerWaalsContact O-CG 3.3Å; M14-Q18 WeakPolarHBondContact O-CG 3.45Å; M14-Q18 PolarHBondContact O-N 3.23Å; D15-Q18 PolarHBondContact O-N 3.48Å; Q18-A21 PolarHBondContact O-N 3.01Å; Q18-R22 WeakPolarHBondContact O-CB 3.28Å; Q18-R22 WeakPolarHBondContact O-CG 3.3Å; Q18-R22 PolarHBondContact O-N 2.9Å |
| 19 | L | 55 | Low | 56.7 | Low | 105 Ų | 105 | 113.2 Ų | 113.2 | 55% | 0.55 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.1 | -47.6 | 175.7 | -151.7 | 92.5 | 0 | 0 | 0 | 110.6 | D15 A21 R22 E23 | D15-L19 VanDerWaalsContact O-CB 3.25Å; D15-L19 WeakPolarHBondContact O-CB 3.46Å; D15-L19 PolarHBondContact O-N 3.48Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.33Å; L19-R22 PolarHBondContact O-N 3.37Å; L19-R22 VanDerWaalsContact O-N 3.1Å; L19-E23 PolarHBondContact O-N 3.37Å |
| 20 | H | 53.9 | Low | 57.6 | Low | 115 Ų | 115 | 115.2 Ų | 115.2 | 53% | 0.532 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.7 | -35.6 | 174.7 | -83.3 | -51.2 | 0 | 0 | 0 | 112.6 | S16 R22 E23 H24 | S16-H20 VanDerWaalsContact O-CB 3.32Å; S16-H20 WeakPolarHBondContact O-CB 3.47Å; S16-H20 PolarHBondContact O-CD2 3.15Å; S16-H20 VanDerWaalsContact O-CD2 3.27Å; S16-H20 PolarHBondContact O-N 3.08Å; H20-R22 VanDerWaalsContact C-N 3.33Å; H20-E23 IonicContact ND1-OE2 2.69Å; H20-H24 WeakPolarHBondContact O-CB 3.39Å; H20-H24 PolarHBondContact O-N 2.87Å |
| 21 | A | 50.6 | Low | 58.6 | Low | 44 Ų | 44 | 118.9 Ų | 118.9 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.3 | -32 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | E17 Q18 L19 R25 | E17-A21 WeakPolarHBondContact O-CB 3.5Å; E17-A21 PolarHBondContact O-N 3.44Å; Q18-A21 PolarHBondContact O-N 3.01Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.33Å; A21-R25 WeakPolarHBondContact O-CG 3.33Å; A21-R25 PolarHBondContact O-NE 2.93Å; A21-R25 PolarHBondContact O-NH2 3.42Å |
| 22 | R | 47.4 | Very low | 59.8 | Low | 177 Ų | 177 | 117.3 Ų | 117.3 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73 | -45.5 | 173.9 | -84.8 | -178.5 | 173 | 175.5 | -0.1 | 111.7 | Q18 L19 H20 H24 R25 | Q18-R22 WeakPolarHBondContact O-CB 3.28Å; Q18-R22 WeakPolarHBondContact O-CG 3.3Å; Q18-R22 PolarHBondContact O-N 2.9Å; L19-R22 PolarHBondContact O-N 3.37Å; L19-R22 VanDerWaalsContact O-N 3.1Å; H20-R22 VanDerWaalsContact C-N 3.33Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.43Å; R22-R25 PolarHBondContact O-N 2.98Å; R22-R25 VanDerWaalsContact O-N 3.17Å |
| 23 | E | 50.9 | Low | 60.8 | Low | 123 Ų | 123 | 110.4 Ų | 110.4 | 58% | 0.575 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.1 | -33.8 | 178.1 | -74.3 | -178.2 | 158.2 | 0 | 0 | 113 | L19 H20 R25 | L19-E23 PolarHBondContact O-N 3.37Å; H20-E23 IonicContact ND1-OE2 2.69Å; E23-R25 VanDerWaalsContact C-N 3.26Å; E23-R25 PolarHBondContact O-N 2.99Å |
| 24 | H | 48.2 | Very low | 62.1 | Low | 173 Ų | 173 | 112.6 Ų | 112.6 | 80% | 0.801 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.3 | 176.1 | -102.4 | -73.8 | 0 | 0 | 0 | 114.5 | H20 R22 | H20-H24 WeakPolarHBondContact O-CB 3.39Å; H20-H24 PolarHBondContact O-N 2.87Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.43Å |
| 25 | R | 44.5 | Very low | 63.4 | Low | 176 Ų | 176 | 111.1 Ų | 111.1 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -23.3 | -176.7 | -87.9 | 178 | -77.2 | -168.7 | -4.6 | 114.5 | A21 R22 E23 | A21-R25 WeakPolarHBondContact O-CG 3.33Å; A21-R25 PolarHBondContact O-NE 2.93Å; A21-R25 PolarHBondContact O-NH2 3.42Å; R22-R25 PolarHBondContact O-N 2.98Å; R22-R25 VanDerWaalsContact O-N 3.17Å; E23-R25 VanDerWaalsContact C-N 3.26Å; E23-R25 PolarHBondContact O-N 2.99Å |
| 26 | T | 44.6 | Very low | 64.5 | Low | 102 Ų | 102 | 107.7 Ų | 107.7 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | trans | -122.7 | 24 | -161.9 | 54.6 | 0 | 0 | 0 | 0 | 116.2 | E28 | T26-E28 PolarHBondContact O-N 3.35Š| ||
| 27 | A | 51.5 | Low | 65.6 | Low | 91 Ų | 91 | 106.9 Ų | 106.9 | 75% | 0.752 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -73 | 79 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | M29 | A27-M29 PolarHBondContact O-N 2.93Š|
| 28 | E | 58.3 | Low | 67 | Low | 172 Ų | 172 | 103.1 Ų | 103.1 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | trans | -49.4 | 110.5 | 179 | -69.3 | -169 | 162.1 | 0 | 0 | 108.8 | T26 T30 | T26-E28 PolarHBondContact O-N 3.35Å; E28-T30 PolarHBondContact O-N 3.35Å | ||
| 29 | M | 66.1 | Low | 68.4 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | trans | -57.2 | 120.6 | 175 | -84.2 | -176 | 143.7 | 0 | 0 | 107.4 | A27 R34 T37 | A27-M29 PolarHBondContact O-N 2.93Å; M29-R34 HydrophobicContact CB-CG 3.92Å; M29-R34 PolarHBondContact O-NE 3.35Å; M29-T37 WeakPolarHBondContact CE-OG1 3.26Å | ||
| 30 | T | 83.3 | Confident | 69.6 | Low | 88 Ų | 88 | 97 Ų | 97 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | trans | -47 | 149.4 | 170.1 | 59 | 0 | 0 | 0 | 0 | 109.2 | E28 Q32 G33 R34 | E28-T30 PolarHBondContact O-N 3.35Å; T30-Q32 CarbonylContact O-C 3.6Å; T30-Q32 PolarHBondContact O-N 3.49Å; T30-G33 WeakPolarHBondContact O-CA 3.25Å; T30-G33 PolarHBondContact O-N 2.92Å; T30-G33 PolarHBondContact OG1-N 3.5Å; T30-R34 PolarHBondContact O-N 3.5Å | ||
| 31 | R | 86.1 | Confident | 70.6 | Confident | 200 Ų | 200 | 98.2 Ų | 98.2 | 76% | 0.755 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -50.6 | -37.7 | -179.3 | -69.4 | -176.2 | -179.5 | -178.8 | -0.1 | 111.9 | R34 I35 | R31-R34 PolarHBondContact O-N 2.81Å; R31-I35 WeakPolarHBondContact O-CG1 3.49Å; R31-I35 PolarHBondContact O-N 3.29Å; R31-I35 VanDerWaalsContact O-N 3.1Å |
| 32 | Q | 89.2 | Confident | 71.8 | Confident | 58 Ų | 58 | 98.9 Ų | 98.9 | 27% | 0.271 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 171.8 | -72 | 178.9 | -16.1 | 0 | 0 | 113.1 | T30 R34 I35 F36 W96 C100 | T30-Q32 CarbonylContact O-C 3.6Å; T30-Q32 PolarHBondContact O-N 3.49Å; Q32-R34 PolarHBondContact O-N 3.36Å; Q32-I35 PolarHBondContact O-N 3Å; Q32-F36 VanDerWaalsContact O-CB 3.27Å; Q32-F36 WeakPolarHBondContact O-CB 3.45Å; Q32-F36 PolarHBondContact O-N 2.89Å; Q32-W96 HydrophobicContact CG-CD2 4.49Å; Q32-W96 HydrophobicContact CG-CE3 4.33Å; Q32-W96 HydrophobicContact CG-CH2 3.54Å; Q32-W96 HydrophobicContact CG-CZ2 3.71Å; Q32-W96 HydrophobicContact CG-CZ3 3.87Å; Q32-C100 HydrophobicContact CB-CB 4.08Å |
| 33 | G | 87.3 | Confident | 73.2 | Confident | 5 Ų | 5 | 95.1 Ų | 95.1 | 5% | 0.052 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T30 T37 | T30-G33 WeakPolarHBondContact O-CA 3.25Å; T30-G33 PolarHBondContact O-N 2.92Å; T30-G33 PolarHBondContact OG1-N 3.5Å; G33-T37 WeakPolarHBondContact O-CB 3.48Å; G33-T37 PolarHBondContact O-N 3Å; G33-T37 PolarHBondContact O-OG1 3.26Å |
| 34 | R | 88.4 | Confident | 74.8 | Confident | 153 Ų | 153 | 91.5 Ų | 91.5 | 58% | 0.577 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65 | -49.7 | 174 | -80.8 | -172 | -90.1 | 170.7 | -9.7 | 111.9 | M29 T30 R31 Q32 F36 T37 F38 | M29-R34 HydrophobicContact CB-CG 3.92Å; M29-R34 PolarHBondContact O-NE 3.35Å; T30-R34 PolarHBondContact O-N 3.5Å; R31-R34 PolarHBondContact O-N 2.81Å; Q32-R34 PolarHBondContact O-N 3.36Å; R34-F36 PolarHBondContact O-N 3.47Å; R34-T37 PolarHBondContact O-N 3.36Å; R34-F38 WeakPolarHBondContact O-CB 3.44Å; R34-F38 PolarHBondContact O-N 3.07Å |
| 35 | I | 89 | Confident | 76.7 | Confident | 58 Ų | 58 | 92.1 Ų | 92.1 | 30% | 0.297 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 178.1 | -67.3 | 164.4 | 0 | 0 | 0 | 110.7 | R31 Q32 T37 F38 L39 W96 | R31-I35 WeakPolarHBondContact O-CG1 3.49Å; R31-I35 PolarHBondContact O-N 3.29Å; R31-I35 VanDerWaalsContact O-N 3.1Å; Q32-I35 PolarHBondContact O-N 3Å; I35-T37 VanDerWaalsContact C-N 3.33Å; I35-T37 PolarHBondContact O-N 3.31Å; I35-F38 PolarHBondContact O-N 2.94Å; I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.33Å; I35-L39 WeakPolarHBondContact O-CB 3.46Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 3.3Å; I35-W96 HydrophobicContact CD1-CZ3 3.81Å |
| 36 | F | 87.2 | Confident | 78.8 | Confident | 12 Ų | 12 | 90.5 Ų | 90.5 | 5% | 0.053 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 177 | -175.7 | -102.8 | 0 | 0 | 0 | 112.1 | Q32 R34 L39 E40 A98 R101 F113 | Q32-F36 VanDerWaalsContact O-CB 3.27Å; Q32-F36 WeakPolarHBondContact O-CB 3.45Å; Q32-F36 PolarHBondContact O-N 2.89Å; R34-F36 PolarHBondContact O-N 3.47Å; F36-L39 PolarHBondContact O-N 3.08Å; F36-E40 HydrophobicContact CE1-CB 4.28Å; F36-E40 HydrophobicContact CE1-CG 4.35Å; F36-E40 HydrophobicContact CE2-CB 4.17Å; F36-E40 HydrophobicContact CE2-CG 4.37Å; F36-E40 HydrophobicContact CZ-CB 4.03Å; F36-E40 HydrophobicContact CZ-CG 3.91Å; F36-E40 WeakPolarHBondContact O-CB 3.42Å; F36-E40 PolarHBondContact O-N 3.32Å; F36-A98 VanDerWaalsContact CD2-CA 3.49Å; F36-A98 HydrophobicContact CD2-CB 4.16Å; F36-A98 HydrophobicContact CE2-CB 3.87Å; F36-R101 HydrophobicContact CD1-CG 4.46Å; F36-R101 HydrophobicContact CE1-CG 3.95Å; F36-R101 HydrophobicContact CZ-CG 4.3Å; F36-F113 AromaticContact CE2-CE2 3.98Å; F36-F113 HydrophobicContact CE2-CE2 3.98Å; F36-F113 HydrophobicContact CE2-CZ 4.27Å; F36-F113 HydrophobicContact CZ-CE2 4.37Å |
| 37 | T | 83.9 | Confident | 80.8 | Confident | 34 Ų | 34 | 86 Ų | 86 | 21% | 0.209 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | M29 G33 R34 I35 L39 R41 | M29-T37 WeakPolarHBondContact CE-OG1 3.26Å; G33-T37 WeakPolarHBondContact O-CB 3.48Å; G33-T37 PolarHBondContact O-N 3Å; G33-T37 PolarHBondContact O-OG1 3.26Å; R34-T37 PolarHBondContact O-N 3.36Å; I35-T37 VanDerWaalsContact C-N 3.33Å; I35-T37 PolarHBondContact O-N 3.31Å; T37-L39 PolarHBondContact O-N 3.29Å; T37-R41 HydrophobicContact CG2-CB 4.41Å; T37-R41 CarbonylContact O-C 3.09Å; T37-R41 WeakPolarHBondContact O-CA 3.43Å; T37-R41 PolarHBondContact O-N 3.49Å |
| 38 | F | 85.8 | Confident | 82.2 | Confident | 71 Ų | 71 | 87 Ų | 87 | 31% | 0.311 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 175 | -175.2 | -94.4 | 0 | 0 | 0 | 112.6 | R34 I35 C47 Y50 Y51 | R34-F38 WeakPolarHBondContact O-CB 3.44Å; R34-F38 PolarHBondContact O-N 3.07Å; I35-F38 PolarHBondContact O-N 2.94Å; F38-C47 HydrophobicContact CD2-CB 4.34Å; F38-C47 WeakPolarHBondContact CD2-SG 3.2Å; F38-C47 HydrophobicContact CE2-CB 4.21Å; F38-Y50 AromaticContact CE1-CD1 3.68Å; F38-Y50 HydrophobicContact CE1-CD1 3.68Å; F38-Y50 HydrophobicContact CE1-CD2 4.35Å; F38-Y50 HydrophobicContact CE1-CE1 4.1Å; F38-Y50 AromaticContact CE1-CG 3.81Å; F38-Y50 HydrophobicContact CE1-CG 3.81Å; F38-Y50 AromaticContact CZ-CD1 4Å; F38-Y50 HydrophobicContact CZ-CD1 4Å; F38-Y50 HydrophobicContact CZ-CD2 4.4Å; F38-Y50 AromaticContact CZ-CG 3.76Å; F38-Y50 HydrophobicContact CZ-CG 3.76Å; F38-Y51 PolarHBondContact O-OH 2.86Å |
| 39 | L | 85.4 | Confident | 83.7 | Confident | 12 Ų | 12 | 82.2 Ų | 82.2 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -86.3 | -25.2 | -174.1 | -70 | 176.3 | 0 | 0 | 0 | 116.3 | I35 F36 T37 Y50 Y51 E90 L93 R94 | I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.33Å; I35-L39 WeakPolarHBondContact O-CB 3.46Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 3.3Å; F36-L39 PolarHBondContact O-N 3.08Å; T37-L39 PolarHBondContact O-N 3.29Å; L39-Y50 HydrophobicContact CD2-CE1 4.31Å; L39-Y51 WeakPolarHBondContact CA-OH 3.44Å; L39-Y51 PolarHBondContact O-OH 3.35Å; L39-E90 HydrophobicContact CD2-CG 4.16Å; L39-L93 HydrophobicContact CD1-CB 4.05Å; L39-R94 HydrophobicContact CD1-CB 4.43Å |
| 40 | E | 79.4 | Confident | 84.7 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -110.2 | -24.6 | -178 | -175.4 | 87.2 | 168 | 0 | 0 | 111.9 | F36 K116 | F36-E40 HydrophobicContact CE1-CB 4.28Å; F36-E40 HydrophobicContact CE1-CG 4.35Å; F36-E40 HydrophobicContact CE2-CB 4.17Å; F36-E40 HydrophobicContact CE2-CG 4.37Å; F36-E40 HydrophobicContact CZ-CB 4.03Å; F36-E40 HydrophobicContact CZ-CG 3.91Å; F36-E40 WeakPolarHBondContact O-CB 3.42Å; F36-E40 PolarHBondContact O-N 3.32Å; E40-K116 IonicContact OE1-NZ 2.73Å; E40-K116 PolarHBondContact OE1-NZ 3.31Å |
| 41 | R | 75.1 | Confident | 84.7 | Confident | 141 Ų | 141 | 78.6 Ų | 78.6 | 53% | 0.532 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -135.7 | 75.1 | -174.2 | -66.4 | -176.6 | 179.5 | -168.9 | -6.3 | 110.3 | T37 T43 | T37-R41 HydrophobicContact CG2-CB 4.41Å; T37-R41 CarbonylContact O-C 3.09Å; T37-R41 WeakPolarHBondContact O-CA 3.43Å; T37-R41 PolarHBondContact O-N 3.49Å; R41-T43 PolarHBondContact O-N 3.07Å |
| 42 | P | 76.3 | Confident | 84.6 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | trans | -57.6 | 107.3 | 179.2 | 22 | -31.9 | 0 | 0 | 0 | 110 | C47 Y51 | P42-C47 HydrophobicContact CB-CB 3.73Å; P42-Y51 HydrophobicContact CB-CD2 3.98Å; P42-Y51 HydrophobicContact CB-CE2 3.76Å; P42-Y51 HydrophobicContact CG-CD2 4.48Å; P42-Y51 HydrophobicContact CG-CE2 4.19Å | ||
| 43 | T | 76.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 75.8 Ų | 75.8 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | trans | -121.3 | 127.3 | 172.9 | 55.3 | 0 | 0 | 0 | 0 | 108.6 | R41 C47 | R41-T43 PolarHBondContact O-N 3.07Å; T43-C47 PolarHBondContact O-SG 2.9Å | ||
| 44 | G | 84.5 | Confident | 84.2 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 49% | 0.485 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 87.6 | 163.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K46 C47 H48 | G44-K46 PolarHBondContact O-N 3.31Å; G44-C47 PolarHBondContact O-N 3.1Å; G44-H48 PolarHBondContact O-CD2 3.35Å; G44-H48 PolarHBondContact O-N 3.13Å |
| 45 | W | 88.7 | Confident | 83.8 | Confident | 185 Ų | 185 | 72.2 Ų | 72.2 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.1 | -37.7 | -169.8 | 76.8 | -81.3 | 0 | 0 | 0 | 113.9 | C47 H48 V49 | W45-C47 VanDerWaalsContact C-N 3.3Å; W45-C47 PolarHBondContact O-N 2.96Å; W45-H48 WeakPolarHBondContact O-CB 3.44Å; W45-H48 PolarHBondContact O-N 3.26Å; W45-H48 VanDerWaalsContact O-N 3.07Å; W45-V49 HydrophobicContact CE3-CG2 3.74Å; W45-V49 HydrophobicContact CZ3-CG2 4.05Å; W45-V49 WeakPolarHBondContact O-CG2 3.39Å; W45-V49 PolarHBondContact O-N 3.41Å |
| 46 | K | 89.4 | Confident | 83.6 | Confident | 142 Ų | 142 | 72.2 Ų | 72.2 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.3 | -40.7 | 179.9 | -62.5 | -175.4 | -179.1 | -179.1 | 0 | 112.5 | G44 V49 Y50 | G44-K46 PolarHBondContact O-N 3.31Å; K46-V49 PolarHBondContact O-N 2.89Å; K46-Y50 PolarHBondContact O-N 2.95Å; K46-Y50 VanDerWaalsContact O-N 3.15Å |
| 47 | C | 84.8 | Confident | 83.4 | Confident | 9 Ų | 9 | 75.6 Ų | 75.6 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | F38 P42 T43 G44 W45 V49 Y50 Y51 | F38-C47 HydrophobicContact CD2-CB 4.34Å; F38-C47 WeakPolarHBondContact CD2-SG 3.2Å; F38-C47 HydrophobicContact CE2-CB 4.21Å; P42-C47 HydrophobicContact CB-CB 3.73Å; T43-C47 PolarHBondContact O-SG 2.9Å; G44-C47 PolarHBondContact O-N 3.1Å; W45-C47 VanDerWaalsContact C-N 3.3Å; W45-C47 PolarHBondContact O-N 2.96Å; C47-V49 VanDerWaalsContact C-N 3.33Å; C47-V49 PolarHBondContact O-N 3.43Å; C47-Y50 WeakPolarHBondContact O-CB 3.49Å; C47-Y50 PolarHBondContact O-N 3.3Å; C47-Y51 WeakPolarHBondContact O-CD2 3.37Å; C47-Y51 PolarHBondContact O-N 3.49Å |
| 48 | H | 81.6 | Confident | 83.1 | Confident | 111 Ų | 111 | 74.6 Ų | 74.6 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 178 | -69.1 | -62.1 | 0 | 0 | 0 | 112.4 | G44 W45 Y50 Y51 F52 | G44-H48 PolarHBondContact O-CD2 3.35Å; G44-H48 PolarHBondContact O-N 3.13Å; W45-H48 WeakPolarHBondContact O-CB 3.44Å; W45-H48 PolarHBondContact O-N 3.26Å; W45-H48 VanDerWaalsContact O-N 3.07Å; H48-Y50 PolarHBondContact O-N 3.12Å; H48-Y51 PolarHBondContact O-N 2.92Å; H48-F52 WeakPolarHBondContact O-CB 3.37Å; H48-F52 PolarHBondContact O-N 3.47Å |
| 49 | V | 89.8 | Confident | 82.7 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | W45 K46 C47 F52 T53 | W45-V49 HydrophobicContact CE3-CG2 3.74Å; W45-V49 HydrophobicContact CZ3-CG2 4.05Å; W45-V49 WeakPolarHBondContact O-CG2 3.39Å; W45-V49 PolarHBondContact O-N 3.41Å; K46-V49 PolarHBondContact O-N 2.89Å; C47-V49 VanDerWaalsContact C-N 3.33Å; C47-V49 PolarHBondContact O-N 3.43Å; V49-F52 PolarHBondContact O-N 3.11Å; V49-T53 HydrophobicContact CG1-CG2 4.29Å; V49-T53 VanDerWaalsContact O-CG2 3.27Å; V49-T53 WeakPolarHBondContact O-CG2 3.38Å; V49-T53 PolarHBondContact O-N 3.31Å; V49-T53 PolarHBondContact O-OG1 3.47Å |
| 50 | Y | 87 | Confident | 82.5 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.6 | -54.2 | 176.7 | 171.4 | -102.3 | 0 | 0 | 0 | 112.2 | F38 L39 K46 C47 H48 F52 T53 V54 | F38-Y50 AromaticContact CE1-CD1 3.68Å; F38-Y50 HydrophobicContact CE1-CD1 3.68Å; F38-Y50 HydrophobicContact CE1-CD2 4.35Å; F38-Y50 HydrophobicContact CE1-CE1 4.1Å; F38-Y50 AromaticContact CE1-CG 3.81Å; F38-Y50 HydrophobicContact CE1-CG 3.81Å; F38-Y50 AromaticContact CZ-CD1 4Å; F38-Y50 HydrophobicContact CZ-CD1 4Å; F38-Y50 HydrophobicContact CZ-CD2 4.4Å; F38-Y50 AromaticContact CZ-CG 3.76Å; F38-Y50 HydrophobicContact CZ-CG 3.76Å; L39-Y50 HydrophobicContact CD2-CE1 4.31Å; K46-Y50 PolarHBondContact O-N 2.95Å; K46-Y50 VanDerWaalsContact O-N 3.15Å; C47-Y50 WeakPolarHBondContact O-CB 3.49Å; C47-Y50 PolarHBondContact O-N 3.3Å; H48-Y50 PolarHBondContact O-N 3.12Å; Y50-F52 VanDerWaalsContact C-N 3.3Å; Y50-F52 PolarHBondContact O-N 3.38Å; Y50-T53 PolarHBondContact O-N 3.47Å; Y50-T53 PolarHBondContact O-OG1 2.94Å; Y50-V54 HydrophobicContact CD2-CG2 4.28Å; Y50-V54 HydrophobicContact CE1-CG2 4.23Å; Y50-V54 HydrophobicContact CE2-CG2 3.87Å; Y50-V54 WeakPolarHBondContact O-CG2 3.32Å; Y50-V54 PolarHBondContact O-N 2.97Å |
| 51 | Y | 83.9 | Confident | 82.3 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -35.3 | -179.8 | -74.4 | -69 | 0 | 0 | 0 | 113.2 | F38 L39 P42 C47 H48 F55 | F38-Y51 PolarHBondContact O-OH 2.86Å; L39-Y51 WeakPolarHBondContact CA-OH 3.44Å; L39-Y51 PolarHBondContact O-OH 3.35Å; P42-Y51 HydrophobicContact CB-CD2 3.98Å; P42-Y51 HydrophobicContact CB-CE2 3.76Å; P42-Y51 HydrophobicContact CG-CD2 4.48Å; P42-Y51 HydrophobicContact CG-CE2 4.19Å; C47-Y51 WeakPolarHBondContact O-CD2 3.37Å; C47-Y51 PolarHBondContact O-N 3.49Å; H48-Y51 PolarHBondContact O-N 2.92Å; Y51-F55 VanDerWaalsContact O-CB 3.26Å; Y51-F55 WeakPolarHBondContact O-CB 3.38Å; Y51-F55 PolarHBondContact O-N 2.92Å |
| 52 | F | 83.7 | Confident | 82.3 | Confident | 134 Ų | 134 | 73.3 Ų | 73.3 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 175.5 | -173.3 | -100.1 | 0 | 0 | 0 | 111.1 | H48 V49 Y50 F55 I56 | H48-F52 WeakPolarHBondContact O-CB 3.37Å; H48-F52 PolarHBondContact O-N 3.47Å; V49-F52 PolarHBondContact O-N 3.11Å; Y50-F52 VanDerWaalsContact C-N 3.3Å; Y50-F52 PolarHBondContact O-N 3.38Å; F52-F55 WeakPolarHBondContact O-CB 3.3Å; F52-F55 PolarHBondContact O-N 2.84Å; F52-I56 HydrophobicContact CD1-CG1 4.13Å; F52-I56 HydrophobicContact CE1-CD1 4.3Å; F52-I56 HydrophobicContact CE1-CG1 3.82Å; F52-I56 HydrophobicContact CZ-CD1 4.05Å; F52-I56 HydrophobicContact CZ-CG1 4.03Å; F52-I56 VanDerWaalsContact O-CG1 3.29Å; F52-I56 WeakPolarHBondContact O-CG1 3.31Å; F52-I56 PolarHBondContact O-N 3.05Å |
| 53 | T | 86.6 | Confident | 82.3 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | V49 Y50 F55 I56 I57 | V49-T53 HydrophobicContact CG1-CG2 4.29Å; V49-T53 VanDerWaalsContact O-CG2 3.27Å; V49-T53 WeakPolarHBondContact O-CG2 3.38Å; V49-T53 PolarHBondContact O-N 3.31Å; V49-T53 PolarHBondContact O-OG1 3.47Å; Y50-T53 PolarHBondContact O-N 3.47Å; Y50-T53 PolarHBondContact O-OG1 2.94Å; T53-F55 VanDerWaalsContact C-N 3.31Å; T53-F55 PolarHBondContact O-N 3.07Å; T53-I56 PolarHBondContact O-N 2.89Å; T53-I57 VanDerWaalsContact O-CG1 3.28Å; T53-I57 WeakPolarHBondContact O-CG1 3.27Å; T53-I57 PolarHBondContact O-N 3.08Å |
| 54 | V | 82.5 | Confident | 82.2 | Confident | 14 Ų | 14 | 73.5 Ų | 73.5 | 9% | 0.085 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | Y50 I57 I58 Y153 | Y50-V54 HydrophobicContact CD2-CG2 4.28Å; Y50-V54 HydrophobicContact CE1-CG2 4.23Å; Y50-V54 HydrophobicContact CE2-CG2 3.87Å; Y50-V54 WeakPolarHBondContact O-CG2 3.32Å; Y50-V54 PolarHBondContact O-N 2.97Å; V54-I57 PolarHBondContact O-N 3.33Å; V54-I58 HydrophobicContact CG1-CD1 3.7Å; V54-I58 HydrophobicContact CG1-CG1 4.48Å; V54-I58 WeakPolarHBondContact O-CB 3.44Å; V54-I58 VanDerWaalsContact O-CG1 3.25Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.38Å; V54-Y153 HydrophobicContact CG1-CE1 4.39Å |
| 55 | F | 79.9 | Confident | 81.6 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 175.8 | 170.5 | -107.3 | 0 | 0 | 0 | 112.4 | Y51 F52 T53 I58 L59 I154 | Y51-F55 VanDerWaalsContact O-CB 3.26Å; Y51-F55 WeakPolarHBondContact O-CB 3.38Å; Y51-F55 PolarHBondContact O-N 2.92Å; F52-F55 WeakPolarHBondContact O-CB 3.3Å; F52-F55 PolarHBondContact O-N 2.84Å; T53-F55 VanDerWaalsContact C-N 3.31Å; T53-F55 PolarHBondContact O-N 3.07Å; F55-I58 PolarHBondContact O-N 2.68Å; F55-L59 VanDerWaalsContact O-CB 3.31Å; F55-L59 WeakPolarHBondContact O-CB 3.4Å; F55-L59 PolarHBondContact O-N 3.48Å; F55-I154 HydrophobicContact CD2-CD1 3.54Å; F55-I154 HydrophobicContact CD2-CG1 3.41Å; F55-I154 VanDerWaalsContact CD2-CG1 3.41Å; F55-I154 HydrophobicContact CE2-CD1 3.33Å; F55-I154 HydrophobicContact CE2-CG1 3.51Å; F55-I154 HydrophobicContact CE2-CG2 4.34Å |
| 56 | I | 84.2 | Confident | 80.8 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 30% | 0.297 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 179 | -68.2 | -65.2 | 0 | 0 | 0 | 111.6 | F52 T53 I58 L59 I60 | F52-I56 HydrophobicContact CD1-CG1 4.13Å; F52-I56 HydrophobicContact CE1-CD1 4.3Å; F52-I56 HydrophobicContact CE1-CG1 3.82Å; F52-I56 HydrophobicContact CZ-CD1 4.05Å; F52-I56 HydrophobicContact CZ-CG1 4.03Å; F52-I56 VanDerWaalsContact O-CG1 3.29Å; F52-I56 WeakPolarHBondContact O-CG1 3.31Å; F52-I56 PolarHBondContact O-N 3.05Å; T53-I56 PolarHBondContact O-N 2.89Å; I56-I58 VanDerWaalsContact C-N 3.31Å; I56-I58 PolarHBondContact O-N 3.4Å; I56-L59 HydrophobicContact CD1-CD2 4.45Å; I56-L59 PolarHBondContact O-N 3.39Å; I56-I60 HydrophobicContact CG2-CD1 3.65Å; I56-I60 HydrophobicContact CG2-CG1 4.31Å; I56-I60 WeakPolarHBondContact O-CB 3.49Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 2.93Å |
| 57 | I | 82.7 | Confident | 80 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 43% | 0.431 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 176.3 | -70.3 | 165.3 | 0 | 0 | 0 | 110.4 | T53 V54 I60 A61 I83 | T53-I57 VanDerWaalsContact O-CG1 3.28Å; T53-I57 WeakPolarHBondContact O-CG1 3.27Å; T53-I57 PolarHBondContact O-N 3.08Å; V54-I57 PolarHBondContact O-N 3.33Å; I57-I60 PolarHBondContact O-N 2.92Å; I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 2.89Å; I57-I83 HydrophobicContact CG2-CD1 4.48Å; I57-I83 HydrophobicContact CG2-CG1 4.33Å |
| 58 | I | 77 | Confident | 79.1 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 179.8 | -70.7 | 171.8 | 0 | 0 | 0 | 111.3 | V54 F55 I56 A61 F62 V150 | V54-I58 HydrophobicContact CG1-CD1 3.7Å; V54-I58 HydrophobicContact CG1-CG1 4.48Å; V54-I58 WeakPolarHBondContact O-CB 3.44Å; V54-I58 VanDerWaalsContact O-CG1 3.25Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.38Å; F55-I58 PolarHBondContact O-N 2.68Å; I56-I58 VanDerWaalsContact C-N 3.31Å; I56-I58 PolarHBondContact O-N 3.4Å; I58-A61 PolarHBondContact O-N 3.27Å; I58-F62 PolarHBondContact O-N 2.96Å; I58-V150 HydrophobicContact CG2-CB 3.99Å; I58-V150 HydrophobicContact CG2-CG1 3.1Å; I58-V150 HydrophobicContact CG2-CG2 3.77Å |
| 59 | L | 78.5 | Confident | 78.2 | Confident | 67 Ų | 67 | 79 Ų | 79 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 176.4 | -175.7 | 77.4 | 0 | 0 | 0 | 111.6 | F55 I56 F62 L63 | F55-L59 VanDerWaalsContact O-CB 3.31Å; F55-L59 WeakPolarHBondContact O-CB 3.4Å; F55-L59 PolarHBondContact O-N 3.48Å; I56-L59 HydrophobicContact CD1-CD2 4.45Å; I56-L59 PolarHBondContact O-N 3.39Å; L59-F62 WeakPolarHBondContact O-CB 3.46Å; L59-F62 PolarHBondContact O-N 3.5Å; L59-L63 HydrophobicContact CG-CD1 4.4Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.41Å |
| 60 | I | 80.2 | Confident | 76.8 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 46% | 0.456 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 177.8 | -69.2 | 166.4 | 0 | 0 | 0 | 110.2 | I56 I57 F62 L63 L64 | I56-I60 HydrophobicContact CG2-CD1 3.65Å; I56-I60 HydrophobicContact CG2-CG1 4.31Å; I56-I60 WeakPolarHBondContact O-CB 3.49Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 2.93Å; I57-I60 PolarHBondContact O-N 2.92Å; I60-F62 VanDerWaalsContact C-N 3.3Å; I60-F62 PolarHBondContact O-N 3.5Å; I60-L63 PolarHBondContact O-N 3.05Å; I60-L64 HydrophobicContact CG2-CD1 3.99Å; I60-L64 HydrophobicContact CG2-CG 4.35Å; I60-L64 WeakPolarHBondContact O-CB 3.46Å; I60-L64 VanDerWaalsContact O-CG 3.32Å; I60-L64 WeakPolarHBondContact O-CG 3.26Å; I60-L64 PolarHBondContact O-N 3.4Å |
| 61 | A | 75.5 | Confident | 75.5 | Confident | 13 Ų | 13 | 86.3 Ų | 86.3 | 11% | 0.107 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I57 I58 L64 T65 I79 I83 | I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 2.89Å; I58-A61 PolarHBondContact O-N 3.27Å; A61-L64 PolarHBondContact O-N 3.21Å; A61-T65 PolarHBondContact O-N 3.33Å; A61-T65 VanDerWaalsContact O-N 3.08Å; A61-T65 PolarHBondContact O-OG1 2.92Å; A61-I79 HydrophobicContact CB-CG2 4.22Å; A61-I83 HydrophobicContact CB-CD1 3.31Å |
| 62 | F | 74.3 | Confident | 74.6 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 173.3 | 174.6 | -101.7 | 0 | 0 | 0 | 111.9 | I58 L59 I60 L64 T65 V66 | I58-F62 PolarHBondContact O-N 2.96Å; L59-F62 WeakPolarHBondContact O-CB 3.46Å; L59-F62 PolarHBondContact O-N 3.5Å; I60-F62 VanDerWaalsContact C-N 3.3Å; I60-F62 PolarHBondContact O-N 3.5Å; F62-L64 VanDerWaalsContact C-N 3.31Å; F62-L64 PolarHBondContact O-N 3.03Å; F62-T65 WeakPolarHBondContact O-CB 3.38Å; F62-T65 PolarHBondContact O-N 3.31Å; F62-V66 HydrophobicContact CD1-CG2 4.48Å; F62-V66 HydrophobicContact CE1-CG2 4Å; F62-V66 HydrophobicContact CE2-CG2 4.06Å; F62-V66 HydrophobicContact CZ-CG2 3.76Å; F62-V66 PolarHBondContact O-N 3.33Å; F62-V66 VanDerWaalsContact O-N 3.07Å |
| 63 | L | 77.1 | Confident | 74 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 53% | 0.529 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 177.4 | -69.3 | 172.9 | 0 | 0 | 0 | 112.2 | L59 I60 T65 V66 W67 | L59-L63 HydrophobicContact CG-CD1 4.4Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.41Å; I60-L63 PolarHBondContact O-N 3.05Å; L63-T65 VanDerWaalsContact C-N 3.25Å; L63-T65 PolarHBondContact O-N 2.91Å; L63-V66 PolarHBondContact O-N 3.4Å; L63-W67 PolarHBondContact O-N 2.9Å; L63-W67 VanDerWaalsContact O-N 3.16Å |
| 64 | L | 74 | Confident | 73.4 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 31% | 0.309 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.3 | -31.3 | 174.8 | -72 | 172.8 | 0 | 0 | 0 | 112.7 | I60 A61 F62 I79 | I60-L64 HydrophobicContact CG2-CD1 3.99Å; I60-L64 HydrophobicContact CG2-CG 4.35Å; I60-L64 WeakPolarHBondContact O-CB 3.46Å; I60-L64 VanDerWaalsContact O-CG 3.32Å; I60-L64 WeakPolarHBondContact O-CG 3.26Å; I60-L64 PolarHBondContact O-N 3.4Å; A61-L64 PolarHBondContact O-N 3.21Å; F62-L64 VanDerWaalsContact C-N 3.31Å; F62-L64 PolarHBondContact O-N 3.03Å; L64-I79 HydrophobicContact CD1-CD1 4.06Å |
| 65 | T | 71.4 | Confident | 73.1 | Confident | 28 Ų | 28 | 97.5 Ų | 97.5 | 17% | 0.172 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 177 | -53 | 0 | 0 | 0 | 0 | 111.8 | A61 F62 L63 W67 L144 R147 | A61-T65 PolarHBondContact O-N 3.33Å; A61-T65 VanDerWaalsContact O-N 3.08Å; A61-T65 PolarHBondContact O-OG1 2.92Å; F62-T65 WeakPolarHBondContact O-CB 3.38Å; F62-T65 PolarHBondContact O-N 3.31Å; L63-T65 VanDerWaalsContact C-N 3.25Å; L63-T65 PolarHBondContact O-N 2.91Å; T65-W67 VanDerWaalsContact C-N 3.31Å; T65-W67 PolarHBondContact O-N 2.86Å; T65-L144 HydrophobicContact CG2-CD2 4Å; T65-L144 HydrophobicContact CG2-CG 4.29Å; T65-R147 HydrophobicContact CG2-CG 4.4Å |
| 66 | V | 72.1 | Confident | 72.8 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.9 | -25.4 | 179.4 | 175.9 | 0 | 0 | 0 | 0 | 112.1 | F62 L63 P68 | F62-V66 HydrophobicContact CD1-CG2 4.48Å; F62-V66 HydrophobicContact CE1-CG2 4Å; F62-V66 HydrophobicContact CE2-CG2 4.06Å; F62-V66 HydrophobicContact CZ-CG2 3.76Å; F62-V66 PolarHBondContact O-N 3.33Å; F62-V66 VanDerWaalsContact O-N 3.07Å; L63-V66 PolarHBondContact O-N 3.4Å; V66-P68 WeakPolarHBondContact O-CD 3.49Å |
| 67 | W | 72.3 | Confident | 72.4 | Confident | 190 Ų | 190 | 95.7 Ų | 95.7 | 72% | 0.72 | 46% | 0.457 | S | S | * | . | trans | -109.4 | 68.7 | -179 | -154.9 | -72.8 | 0 | 0 | 0 | 112.7 | L63 T65 Y69 | L63-W67 PolarHBondContact O-N 2.9Å; L63-W67 VanDerWaalsContact O-N 3.16Å; T65-W67 VanDerWaalsContact C-N 3.31Å; T65-W67 PolarHBondContact O-N 2.86Å; W67-Y69 PolarHBondContact O-N 3.4Å; W67-Y69 VanDerWaalsContact O-N 3.09Å | ||
| 68 | P | 67 | Low | 72.3 | Confident | 89 Ų | 89 | 99.2 Ų | 99.2 | 58% | 0.578 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.8 | -174.1 | 30.3 | -36.2 | 0 | 0 | 0 | 114 | V66 K70 | V66-P68 WeakPolarHBondContact O-CD 3.49Å; P68-K70 PolarHBondContact O-N 3.24Å |
| 69 | Y | 62.9 | Low | 72.4 | Confident | 211 Ų | 211 | 101 Ų | 101 | 83% | 0.827 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -6.2 | -164.6 | -128.6 | -87.5 | 0 | 0 | 0 | 116.3 | W67 | W67-Y69 PolarHBondContact O-N 3.4Å; W67-Y69 VanDerWaalsContact O-N 3.09Å |
| 70 | K | 59.6 | Low | 72.4 | Confident | 195 Ų | 195 | 98.7 Ų | 98.7 | 85% | 0.848 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -134.6 | -13.1 | -176.7 | -96.3 | -173 | 175.6 | -178.7 | 0 | 116 | P68 | P68-K70 PolarHBondContact O-N 3.24Š|
| 71 | M | 60.6 | Low | 72.6 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 47% | 0.473 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -109.5 | 131 | -169.5 | -71.5 | -68.9 | -91.5 | 0 | 0 | 111.3 | V75 | M71-V75 HydrophobicContact CE-CB 4.34Å; M71-V75 HydrophobicContact CE-CG1 3.66Å |
| 72 | K | 65.4 | Low | 73.1 | Confident | 164 Ų | 164 | 99.2 Ų | 99.2 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | trans | -62.6 | 135.3 | 176.6 | -66.3 | -176.6 | 178.4 | -178.2 | 0 | 109.9 | H74 V75 | K72-H74 PolarHBondContact O-N 3.29Å; K72-V75 HydrophobicContact CB-CG2 4.49Å; K72-V75 PolarHBondContact O-N 3.47Å | ||
| 73 | E | 69.2 | Low | 73.5 | Confident | 139 Ų | 139 | 96.1 Ų | 96.1 | 65% | 0.65 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -47.3 | -36.8 | 179.2 | -63.8 | 174.8 | 171 | 0 | 0 | 112.9 | V75 L76 F77 | E73-V75 PolarHBondContact O-N 2.92Å; E73-L76 PolarHBondContact O-N 2.89Å; E73-F77 PolarHBondContact O-N 3.4Å |
| 74 | H | 74 | Confident | 73.8 | Confident | 137 Ų | 137 | 91.9 Ų | 91.9 | 63% | 0.634 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.9 | -40.7 | 176.5 | -62.4 | -61.4 | 0 | 0 | 0 | 113.9 | K72 L76 F77 Y78 | K72-H74 PolarHBondContact O-N 3.29Å; H74-L76 VanDerWaalsContact C-N 3.3Å; H74-L76 PolarHBondContact O-N 3.45Å; H74-F77 PolarHBondContact O-N 3.37Å; H74-Y78 HydrophobicContact CB-CE2 4.48Å; H74-Y78 WeakPolarHBondContact O-CD2 3.45Å; H74-Y78 PolarHBondContact O-N 2.9Å; H74-Y78 VanDerWaalsContact O-N 3.09Å |
| 75 | V | 76.9 | Confident | 74.6 | Confident | 59 Ų | 59 | 93.5 Ų | 93.5 | 36% | 0.358 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | M71 K72 E73 Y78 I79 | M71-V75 HydrophobicContact CE-CB 4.34Å; M71-V75 HydrophobicContact CE-CG1 3.66Å; K72-V75 HydrophobicContact CB-CG2 4.49Å; K72-V75 PolarHBondContact O-N 3.47Å; E73-V75 PolarHBondContact O-N 2.92Å; V75-Y78 PolarHBondContact O-N 2.95Å; V75-I79 HydrophobicContact CG1-CD1 3.95Å; V75-I79 VanDerWaalsContact O-CG1 3.31Å; V75-I79 WeakPolarHBondContact O-CG1 3.38Å; V75-I79 PolarHBondContact O-N 3.23Å; V75-I79 VanDerWaalsContact O-N 3.07Å |
| 76 | L | 73.6 | Confident | 75.4 | Confident | 29 Ų | 29 | 96.2 Ų | 96.2 | 15% | 0.152 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 178.3 | -166.9 | 53.4 | 0 | 0 | 0 | 111.2 | E73 H74 Y78 I79 E80 L144 | E73-L76 PolarHBondContact O-N 2.89Å; H74-L76 VanDerWaalsContact C-N 3.3Å; H74-L76 PolarHBondContact O-N 3.45Å; L76-Y78 PolarHBondContact O-N 2.96Å; L76-I79 PolarHBondContact O-N 3.08Å; L76-E80 VanDerWaalsContact O-CG 3.29Å; L76-E80 WeakPolarHBondContact O-CG 3.4Å; L76-E80 PolarHBondContact O-N 3.47Å; L76-L144 HydrophobicContact CD2-CD2 3.15Å; L76-L144 HydrophobicContact CG-CD2 3.61Å |
| 77 | F | 75.5 | Confident | 76 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 26% | 0.259 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 173.6 | -179.7 | -96.2 | 0 | 0 | 0 | 112.8 | E73 H74 I79 E80 L81 L133 C136 | E73-F77 PolarHBondContact O-N 3.4Å; H74-F77 PolarHBondContact O-N 3.37Å; F77-I79 PolarHBondContact O-N 2.91Å; F77-E80 PolarHBondContact O-N 3.02Å; F77-L81 WeakPolarHBondContact O-CB 3.41Å; F77-L81 PolarHBondContact O-N 3.26Å; F77-L133 HydrophobicContact CD2-CD2 3.9Å; F77-L133 HydrophobicContact CE2-CD2 3.62Å; F77-L133 HydrophobicContact CZ-CD2 4.33Å; F77-C136 HydrophobicContact CE2-CB 4.31Å |
| 78 | Y | 82.2 | Confident | 76.9 | Confident | 158 Ų | 158 | 86.9 Ų | 86.9 | 62% | 0.62 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.1 | -38.4 | 177.4 | -73.5 | -64.7 | 0 | 0 | 0 | 112.7 | H74 V75 L76 L81 A82 | H74-Y78 HydrophobicContact CB-CE2 4.48Å; H74-Y78 WeakPolarHBondContact O-CD2 3.45Å; H74-Y78 PolarHBondContact O-N 2.9Å; H74-Y78 VanDerWaalsContact O-N 3.09Å; V75-Y78 PolarHBondContact O-N 2.95Å; L76-Y78 PolarHBondContact O-N 2.96Å; Y78-L81 PolarHBondContact O-N 3.04Å; Y78-A82 WeakPolarHBondContact O-CB 3.28Å; Y78-A82 PolarHBondContact O-N 3.42Å |
| 79 | I | 79.2 | Confident | 78.1 | Confident | 50 Ų | 50 | 85.8 Ų | 85.8 | 26% | 0.256 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 176.2 | -68.9 | 168.9 | 0 | 0 | 0 | 110.7 | A61 L64 V75 L76 F77 L81 A82 I83 | A61-I79 HydrophobicContact CB-CG2 4.22Å; L64-I79 HydrophobicContact CD1-CD1 4.06Å; V75-I79 HydrophobicContact CG1-CD1 3.95Å; V75-I79 VanDerWaalsContact O-CG1 3.31Å; V75-I79 WeakPolarHBondContact O-CG1 3.38Å; V75-I79 PolarHBondContact O-N 3.23Å; V75-I79 VanDerWaalsContact O-N 3.07Å; L76-I79 PolarHBondContact O-N 3.08Å; F77-I79 PolarHBondContact O-N 2.91Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.92Å; I79-A82 PolarHBondContact O-N 3.49Å; I79-I83 HydrophobicContact CG2-CD1 3.79Å; I79-I83 WeakPolarHBondContact O-CG1 3.2Å; I79-I83 PolarHBondContact O-N 3.48Å |
| 80 | E | 78.2 | Confident | 79.4 | Confident | 20 Ų | 20 | 76.1 Ų | 76.1 | 9% | 0.093 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.2 | -71.2 | 168.9 | -159 | 0 | 0 | 112.9 | L76 F77 I83 T84 L133 L144 R147 | L76-E80 VanDerWaalsContact O-CG 3.29Å; L76-E80 WeakPolarHBondContact O-CG 3.4Å; L76-E80 PolarHBondContact O-N 3.47Å; F77-E80 PolarHBondContact O-N 3.02Å; E80-I83 PolarHBondContact O-N 2.58Å; E80-T84 VanDerWaalsContact O-CB 3.3Å; E80-T84 WeakPolarHBondContact O-CB 3.44Å; E80-T84 PolarHBondContact O-N 3.26Å; E80-T84 PolarHBondContact O-OG1 3.21Å; E80-L133 HydrophobicContact CB-CD2 4.08Å; E80-L144 WeakPolarHBondContact OE1-CD1 3.45Å; E80-L144 WeakPolarHBondContact OE1-CD2 3.35Å; E80-R147 IonicContact OE1-CZ 3.98Å; E80-R147 IonicContact OE1-NH1 2.65Å; E80-R147 PolarHBondContact OE1-NH1 2.91Å; E80-R147 IonicContact OE1-NH2 2.84Å; E80-R147 PolarHBondContact OE1-NH2 3.26Å; E80-R147 IonicContact OE2-CZ 2.71Å; E80-R147 IonicContact OE2-NH1 3.8Å; E80-R147 PolarHBondContact OE2-NH1 3.39Å; E80-R147 IonicContact OE2-NH2 3.59Å; E80-R147 PolarHBondContact OE2-NH2 2.93Å |
| 81 | L | 83.6 | Confident | 80.8 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 179.2 | -179.7 | 64.3 | 0 | 0 | 0 | 110.1 | F77 Y78 I79 I83 T84 I85 L133 | F77-L81 WeakPolarHBondContact O-CB 3.41Å; F77-L81 PolarHBondContact O-N 3.26Å; Y78-L81 PolarHBondContact O-N 3.04Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.92Å; L81-I83 PolarHBondContact O-N 2.9Å; L81-T84 PolarHBondContact O-N 2.87Å; L81-I85 HydrophobicContact CD1-CD1 4.15Å; L81-I85 HydrophobicContact CD1-CG1 4.49Å; L81-I85 HydrophobicContact CG-CD1 3.97Å; L81-I85 VanDerWaalsContact O-CG1 3.25Å; L81-I85 WeakPolarHBondContact O-CG1 3.15Å; L81-I85 PolarHBondContact O-N 3.19Å; L81-L133 HydrophobicContact CD1-CD1 4.24Å |
| 82 | A | 85.9 | Confident | 82.3 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y78 I79 T84 I85 I86 | Y78-A82 WeakPolarHBondContact O-CB 3.28Å; Y78-A82 PolarHBondContact O-N 3.42Å; I79-A82 PolarHBondContact O-N 3.49Å; A82-T84 PolarHBondContact O-N 3.36Å; A82-I85 PolarHBondContact O-N 2.86Å; A82-I86 VanDerWaalsContact O-CG1 3.29Å; A82-I86 WeakPolarHBondContact O-CG1 3.45Å; A82-I86 PolarHBondContact O-N 2.93Å |
| 83 | I | 82.5 | Confident | 83.5 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 177.9 | -68.2 | 168.3 | 0 | 0 | 0 | 110.8 | I57 A61 I79 E80 L81 I85 I86 L87 | I57-I83 HydrophobicContact CG2-CD1 4.48Å; I57-I83 HydrophobicContact CG2-CG1 4.33Å; A61-I83 HydrophobicContact CB-CD1 3.31Å; I79-I83 HydrophobicContact CG2-CD1 3.79Å; I79-I83 WeakPolarHBondContact O-CG1 3.2Å; I79-I83 PolarHBondContact O-N 3.48Å; E80-I83 PolarHBondContact O-N 2.58Å; L81-I83 PolarHBondContact O-N 2.9Å; I83-I85 VanDerWaalsContact C-N 3.34Å; I83-I85 PolarHBondContact O-N 3.27Å; I83-I86 PolarHBondContact O-N 3.27Å; I83-L87 HydrophobicContact CG2-CD1 3.89Å; I83-L87 HydrophobicContact CG2-CG 4.31Å; I83-L87 WeakPolarHBondContact O-CG 3.49Å; I83-L87 PolarHBondContact O-N 3.39Å |
| 84 | T | 83.9 | Confident | 84.6 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 178.6 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | E80 L81 A82 I86 L87 V88 I130 L133 | E80-T84 VanDerWaalsContact O-CB 3.3Å; E80-T84 WeakPolarHBondContact O-CB 3.44Å; E80-T84 PolarHBondContact O-N 3.26Å; E80-T84 PolarHBondContact O-OG1 3.21Å; L81-T84 PolarHBondContact O-N 2.87Å; A82-T84 PolarHBondContact O-N 3.36Å; T84-I86 PolarHBondContact O-N 2.8Å; T84-L87 PolarHBondContact O-N 2.84Å; T84-V88 HydrophobicContact CG2-CG2 4.37Å; T84-V88 VanDerWaalsContact O-CG2 3.25Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 3.02Å; T84-I130 HydrophobicContact CG2-CG1 3.94Å; T84-L133 HydrophobicContact CG2-CD1 4.04Å |
| 85 | I | 90 | Very high | 85.4 | Confident | 92 Ų | 92 | 51.7 Ų | 51.7 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176 | -69.2 | 165.5 | 0 | 0 | 0 | 111.1 | L81 A82 I83 L87 V88 C89 | L81-I85 HydrophobicContact CD1-CD1 4.15Å; L81-I85 HydrophobicContact CD1-CG1 4.49Å; L81-I85 HydrophobicContact CG-CD1 3.97Å; L81-I85 VanDerWaalsContact O-CG1 3.25Å; L81-I85 WeakPolarHBondContact O-CG1 3.15Å; L81-I85 PolarHBondContact O-N 3.19Å; A82-I85 PolarHBondContact O-N 2.86Å; I83-I85 VanDerWaalsContact C-N 3.34Å; I83-I85 PolarHBondContact O-N 3.27Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 2.92Å; I85-V88 PolarHBondContact O-N 3.35Å; I85-C89 WeakPolarHBondContact O-CB 3.17Å; I85-C89 PolarHBondContact O-N 3.4Å; I85-C89 PolarHBondContact O-SG 3.48Å; I85-C89 VanDerWaalsContact O-SG 3.34Å |
| 86 | I | 87.9 | Confident | 86.1 | Confident | 86 Ų | 86 | 54.1 Ų | 54.1 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 177.7 | -68.8 | 165.7 | 0 | 0 | 0 | 110.6 | A82 I83 T84 C89 E90 | A82-I86 VanDerWaalsContact O-CG1 3.29Å; A82-I86 WeakPolarHBondContact O-CG1 3.45Å; A82-I86 PolarHBondContact O-N 2.93Å; I83-I86 PolarHBondContact O-N 3.27Å; T84-I86 PolarHBondContact O-N 2.8Å; I86-C89 PolarHBondContact O-N 2.88Å; I86-E90 WeakPolarHBondContact O-CB 3.15Å; I86-E90 PolarHBondContact O-N 3.36Å |
| 87 | L | 86 | Confident | 86.9 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 179.3 | -68.5 | 174.9 | 0 | 0 | 0 | 112.8 | I83 T84 I85 C89 E90 Y91 L126 | I83-L87 HydrophobicContact CG2-CD1 3.89Å; I83-L87 HydrophobicContact CG2-CG 4.31Å; I83-L87 WeakPolarHBondContact O-CG 3.49Å; I83-L87 PolarHBondContact O-N 3.39Å; T84-L87 PolarHBondContact O-N 2.84Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 2.92Å; L87-C89 VanDerWaalsContact C-N 3.34Å; L87-E90 PolarHBondContact O-N 3.19Å; L87-Y91 VanDerWaalsContact O-CB 3.3Å; L87-Y91 WeakPolarHBondContact O-CB 2.94Å; L87-Y91 PolarHBondContact O-N 3.22Å; L87-L126 HydrophobicContact CB-CD1 4.17Å |
| 88 | V | 90.7 | Very high | 87.6 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 29% | 0.291 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | T84 I85 Y91 S92 L126 I130 | T84-V88 HydrophobicContact CG2-CG2 4.37Å; T84-V88 VanDerWaalsContact O-CG2 3.25Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 3.02Å; I85-V88 PolarHBondContact O-N 3.35Å; V88-Y91 PolarHBondContact O-N 2.96Å; V88-S92 VanDerWaalsContact O-CB 3.28Å; V88-S92 WeakPolarHBondContact O-CB 3.46Å; V88-S92 PolarHBondContact O-N 3.09Å; V88-S92 PolarHBondContact O-OG 3.26Å; V88-L126 HydrophobicContact CB-CD1 4.3Å; V88-L126 HydrophobicContact CG2-CD1 3.58Å; V88-L126 HydrophobicContact CG2-CD2 4.13Å; V88-L126 HydrophobicContact CG2-CG 4.05Å; V88-I130 HydrophobicContact CG2-CD1 4.24Å |
| 89 | C | 91.9 | Very high | 87.9 | Confident | 67 Ų | 67 | 43 Ų | 43 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 178.1 | -74.5 | 0 | 0 | 0 | 0 | 111.3 | I85 I86 L87 S92 L93 | I85-C89 WeakPolarHBondContact O-CB 3.17Å; I85-C89 PolarHBondContact O-N 3.4Å; I85-C89 PolarHBondContact O-SG 3.48Å; I85-C89 VanDerWaalsContact O-SG 3.34Å; I86-C89 PolarHBondContact O-N 2.88Å; L87-C89 VanDerWaalsContact C-N 3.34Å; C89-S92 PolarHBondContact O-N 2.96Å; C89-L93 WeakPolarHBondContact O-CB 3.36Å; C89-L93 VanDerWaalsContact O-CG 3.26Å; C89-L93 WeakPolarHBondContact O-CG 3.33Å; C89-L93 PolarHBondContact O-N 3.32Å |
| 90 | E | 89.7 | Confident | 88.2 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 177.7 | -171 | -178.8 | 175.8 | 0 | 0 | 111.8 | L39 I86 L87 S92 L93 R94 Y153 | L39-E90 HydrophobicContact CD2-CG 4.16Å; I86-E90 WeakPolarHBondContact O-CB 3.15Å; I86-E90 PolarHBondContact O-N 3.36Å; L87-E90 PolarHBondContact O-N 3.19Å; E90-S92 PolarHBondContact O-N 2.9Å; E90-L93 PolarHBondContact O-N 2.93Å; E90-R94 WeakPolarHBondContact O-CB 3.29Å; E90-R94 PolarHBondContact O-N 3.44Å; E90-R94 IonicContact OE1-NH2 2.89Å; E90-R94 PolarHBondContact OE1-NH2 3.2Å; E90-Y153 PolarHBondContact OE1-OH 2.95Å; E90-Y153 PolarHBondContact OE2-OH 3.44Å |
| 91 | Y | 89.4 | Confident | 88.5 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 8% | 0.078 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 179.1 | -175.4 | -108.1 | 0 | 0 | 0 | 112.1 | L87 V88 R94 I95 V114 C119 E122 L123 L126 | L87-Y91 VanDerWaalsContact O-CB 3.3Å; L87-Y91 WeakPolarHBondContact O-CB 2.94Å; L87-Y91 PolarHBondContact O-N 3.22Å; V88-Y91 PolarHBondContact O-N 2.96Å; Y91-R94 WeakPolarHBondContact O-CB 3.29Å; Y91-R94 PolarHBondContact O-N 3.41Å; Y91-I95 HydrophobicContact CD1-CD1 3.88Å; Y91-I95 HydrophobicContact CE1-CD1 3.36Å; Y91-I95 HydrophobicContact CE1-CG1 4.38Å; Y91-I95 HydrophobicContact CE2-CD1 4.4Å; Y91-I95 WeakPolarHBondContact O-CG1 3.14Å; Y91-I95 PolarHBondContact O-N 3.43Å; Y91-V114 WeakPolarHBondContact OH-CG1 3.34Å; Y91-C119 HydrophobicContact CE2-CB 4.41Å; Y91-E122 HydrophobicContact CD2-CB 4.23Å; Y91-E122 HydrophobicContact CE2-CB 4.29Å; Y91-L123 HydrophobicContact CE1-CD1 4.01Å; Y91-L126 HydrophobicContact CD1-CD2 4.28Å |
| 92 | S | 92.3 | Very high | 88.6 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 44% | 0.441 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 176 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | V88 C89 E90 R94 I95 W96 | V88-S92 VanDerWaalsContact O-CB 3.28Å; V88-S92 WeakPolarHBondContact O-CB 3.46Å; V88-S92 PolarHBondContact O-N 3.09Å; V88-S92 PolarHBondContact O-OG 3.26Å; C89-S92 PolarHBondContact O-N 2.96Å; E90-S92 PolarHBondContact O-N 2.9Å; S92-R94 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.92Å; S92-I95 PolarHBondContact O-N 3.19Å; S92-W96 WeakPolarHBondContact O-CB 3.32Å; S92-W96 PolarHBondContact O-N 3.04Å |
| 93 | L | 91.6 | Very high | 88.5 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 43% | 0.429 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 174.6 | -74.7 | 172.3 | 0 | 0 | 0 | 111.9 | L39 C89 E90 W96 S97 | L39-L93 HydrophobicContact CD1-CB 4.05Å; C89-L93 WeakPolarHBondContact O-CB 3.36Å; C89-L93 VanDerWaalsContact O-CG 3.26Å; C89-L93 WeakPolarHBondContact O-CG 3.33Å; C89-L93 PolarHBondContact O-N 3.32Å; E90-L93 PolarHBondContact O-N 2.93Å; L93-W96 PolarHBondContact O-N 2.97Å; L93-S97 WeakPolarHBondContact O-CB 3.25Å; L93-S97 PolarHBondContact O-N 3.38Å; L93-S97 PolarHBondContact O-OG 3.37Å |
| 94 | R | 90.9 | Very high | 88.7 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.7 | -167.9 | 176.8 | -67.2 | 136.8 | 1 | 111.9 | L39 E90 Y91 S92 S97 A98 F113 E122 Y153 | L39-R94 HydrophobicContact CD1-CB 4.43Å; E90-R94 WeakPolarHBondContact O-CB 3.29Å; E90-R94 PolarHBondContact O-N 3.44Å; E90-R94 IonicContact OE1-NH2 2.89Å; E90-R94 PolarHBondContact OE1-NH2 3.2Å; Y91-R94 WeakPolarHBondContact O-CB 3.29Å; Y91-R94 PolarHBondContact O-N 3.41Å; S92-R94 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.92Å; R94-S97 PolarHBondContact O-OG 3.29Å; R94-A98 WeakPolarHBondContact O-CB 3.36Å; R94-A98 PolarHBondContact O-N 3.11Å; R94-F113 HydrophobicContact CG-CE1 4.05Å; R94-F113 HydrophobicContact CG-CZ 4Å; R94-E122 IonicContact CZ-OE1 3.44Å; R94-E122 IonicContact CZ-OE2 3.48Å; R94-E122 IonicContact NH1-OE1 2.69Å; R94-E122 PolarHBondContact NH1-OE1 2.92Å; R94-E122 IonicContact NH1-OE2 2.74Å; R94-E122 PolarHBondContact NH1-OE2 3.41Å; R94-E122 IonicContact NH2-OE1 3.51Å; R94-Y153 PolarHBondContact NH2-OH 2.92Å |
| 95 | I | 91 | Very high | 88.6 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175.7 | -67 | 171.6 | 0 | 0 | 0 | 111.3 | Y91 S92 V114 | Y91-I95 HydrophobicContact CD1-CD1 3.88Å; Y91-I95 HydrophobicContact CE1-CD1 3.36Å; Y91-I95 HydrophobicContact CE1-CG1 4.38Å; Y91-I95 HydrophobicContact CE2-CD1 4.4Å; Y91-I95 WeakPolarHBondContact O-CG1 3.14Å; Y91-I95 PolarHBondContact O-N 3.43Å; S92-I95 PolarHBondContact O-N 3.19Å; I95-V114 HydrophobicContact CD1-CG2 3.9Å; I95-V114 HydrophobicContact CG1-CG2 4.18Å |
| 96 | W | 92.1 | Very high | 88.5 | Confident | 109 Ų | 109 | 55.4 Ų | 55.4 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 179.4 | 175.8 | 83.8 | 0 | 0 | 0 | 111.7 | Q32 I35 S92 L93 A98 G99 | Q32-W96 HydrophobicContact CG-CD2 4.49Å; Q32-W96 HydrophobicContact CG-CE3 4.33Å; Q32-W96 HydrophobicContact CG-CH2 3.54Å; Q32-W96 HydrophobicContact CG-CZ2 3.71Å; Q32-W96 HydrophobicContact CG-CZ3 3.87Å; I35-W96 HydrophobicContact CD1-CZ3 3.81Å; S92-W96 WeakPolarHBondContact O-CB 3.32Å; S92-W96 PolarHBondContact O-N 3.04Å; L93-W96 PolarHBondContact O-N 2.97Å; W96-A98 VanDerWaalsContact C-N 3.32Å; W96-A98 PolarHBondContact O-N 3.33Å; W96-G99 PolarHBondContact O-N 2.96Å |
| 97 | S | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.5 | -27.4 | -179.2 | 64.9 | 0 | 0 | 0 | 0 | 113.3 | L93 R94 G99 C100 | L93-S97 WeakPolarHBondContact O-CB 3.25Å; L93-S97 PolarHBondContact O-N 3.38Å; L93-S97 PolarHBondContact O-OG 3.37Å; R94-S97 PolarHBondContact O-OG 3.29Å; S97-G99 PolarHBondContact O-N 3.4Å; S97-C100 WeakPolarHBondContact O-CB 3.4Å; S97-C100 PolarHBondContact O-N 3.41Å; S97-C100 PolarHBondContact O-SG 3.44Å; S97-C100 VanDerWaalsContact O-SG 3.4Å |
| 98 | A | 89 | Confident | 88.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -57.3 | -21.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F36 R94 W96 C100 R101 F113 | F36-A98 VanDerWaalsContact CD2-CA 3.49Å; F36-A98 HydrophobicContact CD2-CB 4.16Å; F36-A98 HydrophobicContact CE2-CB 3.87Å; R94-A98 WeakPolarHBondContact O-CB 3.36Å; R94-A98 PolarHBondContact O-N 3.11Å; W96-A98 VanDerWaalsContact C-N 3.32Å; W96-A98 PolarHBondContact O-N 3.33Å; A98-C100 PolarHBondContact O-N 3.12Å; A98-C100 VanDerWaalsContact O-N 3.1Å; A98-R101 PolarHBondContact O-N 3.39Å; A98-F113 HydrophobicContact CB-CD1 4.06Å; A98-F113 HydrophobicContact CB-CD2 3.95Å; A98-F113 HydrophobicContact CB-CE1 4.15Å; A98-F113 HydrophobicContact CB-CE2 4.03Å; A98-F113 HydrophobicContact CB-CG 3.97Å; A98-F113 HydrophobicContact CB-CZ 4.14Å |
| 99 | G | 89.3 | Confident | 88.1 | Confident | 12 Ų | 12 | 65 Ų | 65 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -58.2 | -16.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | W96 S97 R101 | W96-G99 PolarHBondContact O-N 2.96Å; S97-G99 PolarHBondContact O-N 3.4Å; G99-R101 PolarHBondContact O-N 3.44Å |
| 100 | C | 86.3 | Confident | 88 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 28% | 0.284 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -68.2 | -19.1 | 177.5 | 80 | 0 | 0 | 0 | 0 | 113.5 | Q32 S97 A98 | Q32-C100 HydrophobicContact CB-CB 4.08Å; S97-C100 WeakPolarHBondContact O-CB 3.4Å; S97-C100 PolarHBondContact O-N 3.41Å; S97-C100 PolarHBondContact O-SG 3.44Å; S97-C100 VanDerWaalsContact O-SG 3.4Å; A98-C100 PolarHBondContact O-N 3.12Å; A98-C100 VanDerWaalsContact O-N 3.1Å |
| 101 | R | 84.6 | Confident | 88 | Confident | 124 Ų | 124 | 68.3 Ų | 68.3 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -94 | 127.9 | 177.7 | -59.8 | -72.6 | -89.9 | -179.1 | -3.5 | 108.6 | F36 A98 G99 K103 Y104 A105 | F36-R101 HydrophobicContact CD1-CG 4.46Å; F36-R101 HydrophobicContact CE1-CG 3.95Å; F36-R101 HydrophobicContact CZ-CG 4.3Å; A98-R101 PolarHBondContact O-N 3.39Å; G99-R101 PolarHBondContact O-N 3.44Å; R101-K103 PolarHBondContact O-N 2.96Å; R101-Y104 HydrophobicContact CB-CD2 3.97Å; R101-Y104 HydrophobicContact CB-CE2 4.5Å; R101-Y104 CarbonylContact O-C 3.56Å; R101-Y104 PolarHBondContact O-N 3.3Å; R101-A105 PolarHBondContact O-N 3.42Å |
| 102 | F | 84.6 | Confident | 88 | Confident | 175 Ų | 175 | 74.1 Ų | 74.1 | 77% | 0.768 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -50.7 | -32.1 | 177.7 | 179.9 | -101.1 | 0 | 0 | 0 | 113.9 | Y104 | F102-Y104 PolarHBondContact O-N 2.96Š|
| 103 | K | 83.7 | Confident | 87.8 | Confident | 119 Ų | 119 | 71.2 Ų | 71.2 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -59.8 | -26.1 | 176 | -169.1 | 175.2 | 176.2 | -176.6 | 0 | 113.5 | R101 R109 | R101-K103 PolarHBondContact O-N 2.96Å; K103-R109 WeakPolarHBondContact O-CB 3.29Å |
| 104 | Y | 86.5 | Confident | 87.6 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -126.2 | 20.6 | -174 | -45.5 | -57.1 | 0 | 0 | 0 | 113.1 | R101 F102 S106 R109 R110 F113 | R101-Y104 HydrophobicContact CB-CD2 3.97Å; R101-Y104 HydrophobicContact CB-CE2 4.5Å; R101-Y104 CarbonylContact O-C 3.56Å; R101-Y104 PolarHBondContact O-N 3.3Å; F102-Y104 PolarHBondContact O-N 2.96Å; Y104-S106 PolarHBondContact O-N 3.3Å; Y104-R109 WeakPolarHBondContact CD1-O 3.46Å; Y104-R110 WeakPolarHBondContact O-CG 3.47Å; Y104-F113 HydrophobicContact CD1-CB 3.96Å; Y104-F113 HydrophobicContact CD2-CB 4.46Å; Y104-F113 HydrophobicContact CD2-CD2 4.04Å; Y104-F113 HydrophobicContact CE1-CB 4.16Å; Y104-F113 AromaticContact CE2-CD2 3.85Å; Y104-F113 HydrophobicContact CE2-CD2 3.85Å; Y104-F113 HydrophobicContact CG-CB 4.13Å |
| 105 | A | 83.4 | Confident | 87.6 | Confident | 48 Ų | 48 | 76 Ų | 76 | 40% | 0.397 | 36% | 0.358 | S | S | . | . | trans | -61.1 | -45.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R101 | R101-A105 PolarHBondContact O-N 3.42Š| ||
| 106 | S | 86.1 | Confident | 87.2 | Confident | 50 Ų | 50 | 76.9 Ų | 76.9 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -87.3 | 154.4 | -179.8 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | Y104 T108 R109 R110 | Y104-S106 PolarHBondContact O-N 3.3Å; S106-T108 VanDerWaalsContact C-N 3.34Å; S106-T108 PolarHBondContact O-N 3.46Å; S106-R109 CarbonylContact O-C 3.48Å; S106-R109 WeakPolarHBondContact O-CA 3.47Å; S106-R109 WeakPolarHBondContact O-CB 3.42Å; S106-R109 PolarHBondContact O-N 2.92Å; S106-R109 WeakPolarHBondContact OG-CD 3.26Å; S106-R109 WeakPolarHBondContact OG-CG 3.26Å; S106-R110 WeakPolarHBondContact O-CG 3.44Å; S106-R110 PolarHBondContact O-N 3.31Å |
| 107 | L | 83.4 | Confident | 86.6 | Confident | 150 Ų | 150 | 76.1 Ų | 76.1 | 79% | 0.785 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -53 | -46.2 | 179.1 | -79.5 | 125.5 | 0 | 0 | 0 | 112.9 | R109 R110 L111 | L107-R109 PolarHBondContact O-N 3.26Å; L107-R110 WeakPolarHBondContact O-CB 3.49Å; L107-R110 PolarHBondContact O-N 3.48Å; L107-L111 PolarHBondContact O-N 2.96Å |
| 108 | T | 86.7 | Confident | 85.9 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 74% | 0.736 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.7 | -33.6 | 176.1 | -35.6 | 0 | 0 | 0 | 0 | 112.2 | S106 | S106-T108 VanDerWaalsContact C-N 3.34Å; S106-T108 PolarHBondContact O-N 3.46Å |
| 109 | R | 87.5 | Confident | 85.7 | Confident | 101 Ų | 101 | 80 Ų | 80 | 38% | 0.381 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -79.3 | -25.9 | 176 | -67.5 | 177.6 | -171.4 | -177.2 | 5.4 | 112.2 | K103 Y104 S106 L107 L111 R112 | K103-R109 WeakPolarHBondContact O-CB 3.29Å; Y104-R109 WeakPolarHBondContact CD1-O 3.46Å; S106-R109 CarbonylContact O-C 3.48Å; S106-R109 WeakPolarHBondContact O-CA 3.47Å; S106-R109 WeakPolarHBondContact O-CB 3.42Å; S106-R109 PolarHBondContact O-N 2.92Å; S106-R109 WeakPolarHBondContact OG-CD 3.26Å; S106-R109 WeakPolarHBondContact OG-CG 3.26Å; L107-R109 PolarHBondContact O-N 3.26Å; R109-L111 VanDerWaalsContact C-N 3.28Å; R109-L111 PolarHBondContact O-N 2.9Å; R109-R112 WeakPolarHBondContact O-CB 3.43Å; R109-R112 PolarHBondContact O-N 3.43Å; R109-R112 VanDerWaalsContact O-N 3.1Å |
| 110 | R | 90 | Very high | 85.5 | Confident | 55 Ų | 55 | 83.2 Ų | 83.2 | 21% | 0.208 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.9 | -31.3 | 170.8 | -65.8 | -177.8 | -171.7 | -167.5 | 0.5 | 111.9 | Y104 S106 L107 R112 F113 V114 | Y104-R110 WeakPolarHBondContact O-CG 3.47Å; S106-R110 WeakPolarHBondContact O-CG 3.44Å; S106-R110 PolarHBondContact O-N 3.31Å; L107-R110 WeakPolarHBondContact O-CB 3.49Å; L107-R110 PolarHBondContact O-N 3.48Å; R110-R112 PolarHBondContact O-N 2.69Å; R110-F113 WeakPolarHBondContact O-CA 3.48Å; R110-F113 VanDerWaalsContact O-CB 3.23Å; R110-F113 WeakPolarHBondContact O-CB 3.2Å; R110-F113 PolarHBondContact O-N 3.13Å; R110-V114 PolarHBondContact O-N 3.16Å; R110-V114 VanDerWaalsContact O-N 3.13Å |
| 111 | L | 89.1 | Confident | 85.2 | Confident | 89 Ų | 89 | 85 Ų | 85 | 47% | 0.466 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.8 | -31 | 171.4 | -172.3 | 62.8 | 0 | 0 | 0 | 112.3 | L107 R109 F113 V114 R115 | L107-L111 PolarHBondContact O-N 2.96Å; R109-L111 VanDerWaalsContact C-N 3.28Å; R109-L111 PolarHBondContact O-N 2.9Å; L111-F113 VanDerWaalsContact C-N 3.27Å; L111-F113 PolarHBondContact O-N 3.01Å; L111-V114 PolarHBondContact O-N 3.48Å; L111-R115 WeakPolarHBondContact O-CG 2.85Å; L111-R115 PolarHBondContact O-N 2.91Å; L111-R115 VanDerWaalsContact O-N 3.07Å |
| 112 | R | 89.2 | Confident | 85.1 | Confident | 142 Ų | 142 | 80.6 Ų | 80.6 | 54% | 0.536 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.9 | -27.9 | 172.4 | -164.5 | -174.4 | -67.1 | 172.6 | -6.2 | 112.5 | R109 R110 | R109-R112 WeakPolarHBondContact O-CB 3.43Å; R109-R112 PolarHBondContact O-N 3.43Å; R109-R112 VanDerWaalsContact O-N 3.1Å; R110-R112 PolarHBondContact O-N 2.69Å |
| 113 | F | 87.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72 | -44.9 | 172.7 | 179.4 | -93.4 | 0 | 0 | 0 | 110.8 | F36 R94 A98 Y104 R110 L111 R115 K116 | F36-F113 AromaticContact CE2-CE2 3.98Å; F36-F113 HydrophobicContact CE2-CE2 3.98Å; F36-F113 HydrophobicContact CE2-CZ 4.27Å; F36-F113 HydrophobicContact CZ-CE2 4.37Å; R94-F113 HydrophobicContact CG-CE1 4.05Å; R94-F113 HydrophobicContact CG-CZ 4Å; A98-F113 HydrophobicContact CB-CD1 4.06Å; A98-F113 HydrophobicContact CB-CD2 3.95Å; A98-F113 HydrophobicContact CB-CE1 4.15Å; A98-F113 HydrophobicContact CB-CE2 4.03Å; A98-F113 HydrophobicContact CB-CG 3.97Å; A98-F113 HydrophobicContact CB-CZ 4.14Å; Y104-F113 HydrophobicContact CD1-CB 3.96Å; Y104-F113 HydrophobicContact CD2-CB 4.46Å; Y104-F113 HydrophobicContact CD2-CD2 4.04Å; Y104-F113 HydrophobicContact CE1-CB 4.16Å; Y104-F113 AromaticContact CE2-CD2 3.85Å; Y104-F113 HydrophobicContact CE2-CD2 3.85Å; Y104-F113 HydrophobicContact CG-CB 4.13Å; R110-F113 WeakPolarHBondContact O-CA 3.48Å; R110-F113 VanDerWaalsContact O-CB 3.23Å; R110-F113 WeakPolarHBondContact O-CB 3.2Å; R110-F113 PolarHBondContact O-N 3.13Å; L111-F113 VanDerWaalsContact C-N 3.27Å; L111-F113 PolarHBondContact O-N 3.01Å; F113-R115 VanDerWaalsContact C-N 3.27Å; F113-R115 PolarHBondContact O-N 2.86Å; F113-K116 HydrophobicContact CD2-CD 4.1Å; F113-K116 HydrophobicContact CE2-CD 4.22Å; F113-K116 VanDerWaalsContact O-CB 3.29Å; F113-K116 WeakPolarHBondContact O-CB 3.46Å; F113-K116 VanDerWaalsContact O-CG 3.31Å; F113-K116 WeakPolarHBondContact O-CG 3.37Å; F113-K116 PolarHBondContact O-N 3.28Å |
| 114 | V | 89.3 | Confident | 85.3 | Confident | 21 Ų | 21 | 75.4 Ų | 75.4 | 13% | 0.127 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.1 | -35.3 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | Y91 I95 R110 L111 K116 C119 L120 L123 | Y91-V114 WeakPolarHBondContact OH-CG1 3.34Å; I95-V114 HydrophobicContact CD1-CG2 3.9Å; I95-V114 HydrophobicContact CG1-CG2 4.18Å; R110-V114 PolarHBondContact O-N 3.16Å; R110-V114 VanDerWaalsContact O-N 3.13Å; L111-V114 PolarHBondContact O-N 3.48Å; V114-K116 PolarHBondContact O-N 2.9Å; V114-K116 VanDerWaalsContact O-N 3.11Å; V114-C119 WeakPolarHBondContact O-CB 3.39Å; V114-L120 WeakPolarHBondContact O-CD2 3.4Å; V114-L120 WeakPolarHBondContact O-CG 3.22Å; V114-L123 HydrophobicContact CG1-CD2 4.12Å |
| 115 | R | 89.4 | Confident | 84.9 | Confident | 175 Ų | 175 | 75.6 Ų | 75.6 | 66% | 0.66 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0 | 175.8 | -73.2 | -179.6 | -179.2 | 166.6 | 1.1 | 115.1 | L111 F113 | L111-R115 WeakPolarHBondContact O-CG 2.85Å; L111-R115 PolarHBondContact O-N 2.91Å; L111-R115 VanDerWaalsContact O-N 3.07Å; F113-R115 VanDerWaalsContact C-N 3.27Å; F113-R115 PolarHBondContact O-N 2.86Å |
| 116 | K | 82.9 | Confident | 85 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -67.1 | 142.5 | 169.5 | -74.1 | 176.3 | 168.4 | -174 | 0 | 109.6 | E40 F113 V114 I118 C119 L120 | E40-K116 IonicContact OE1-NZ 2.73Å; E40-K116 PolarHBondContact OE1-NZ 3.31Å; F113-K116 HydrophobicContact CD2-CD 4.1Å; F113-K116 HydrophobicContact CE2-CD 4.22Å; F113-K116 VanDerWaalsContact O-CB 3.29Å; F113-K116 WeakPolarHBondContact O-CB 3.46Å; F113-K116 VanDerWaalsContact O-CG 3.31Å; F113-K116 WeakPolarHBondContact O-CG 3.37Å; F113-K116 PolarHBondContact O-N 3.28Å; V114-K116 PolarHBondContact O-N 2.9Å; V114-K116 VanDerWaalsContact O-N 3.11Å; K116-I118 VanDerWaalsContact C-N 3.3Å; K116-I118 PolarHBondContact O-N 3.37Å; K116-C119 HydrophobicContact CB-CB 4.45Å; K116-C119 PolarHBondContact O-N 3.22Å; K116-C119 VanDerWaalsContact O-N 3.12Å; K116-L120 WeakPolarHBondContact O-CG 3.45Å; K116-L120 PolarHBondContact O-N 3.4Å |
| 117 | P | 79.8 | Confident | 85.1 | Confident | 93 Ų | 93 | 76 Ų | 76 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.9 | -36.5 | -174.7 | 23 | -33.7 | 0 | 0 | 0 | 113.5 | L120 I121 | P117-L120 PolarHBondContact O-N 3.43Å; P117-I121 VanDerWaalsContact O-CG1 3.28Å; P117-I121 WeakPolarHBondContact O-CG1 3.32Å; P117-I121 PolarHBondContact O-N 3.39Å |
| 118 | I | 76.3 | Confident | 84.9 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -52.4 | 176 | -57.9 | 172.8 | 0 | 0 | 0 | 110.3 | K116 L120 I121 E122 | K116-I118 VanDerWaalsContact C-N 3.3Å; K116-I118 PolarHBondContact O-N 3.37Å; I118-L120 VanDerWaalsContact C-N 3.27Å; I118-L120 PolarHBondContact O-N 3.21Å; I118-I121 PolarHBondContact O-N 2.81Å; I118-I121 VanDerWaalsContact O-N 3.15Å; I118-E122 WeakPolarHBondContact O-CG 3.27Å; I118-E122 PolarHBondContact O-N 3.42Å |
| 119 | C | 83.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.7 | -31.7 | -179.6 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | Y91 V114 K116 L123 | Y91-C119 HydrophobicContact CE2-CB 4.41Å; V114-C119 WeakPolarHBondContact O-CB 3.39Å; K116-C119 HydrophobicContact CB-CB 4.45Å; K116-C119 PolarHBondContact O-N 3.22Å; K116-C119 VanDerWaalsContact O-N 3.12Å; C119-L123 VanDerWaalsContact O-CB 3.29Å; C119-L123 WeakPolarHBondContact O-CB 3.37Å; C119-L123 PolarHBondContact O-N 3.06Å |
| 120 | L | 85.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 42% | 0.419 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 174.1 | -71.4 | 177.7 | 0 | 0 | 0 | 112.5 | V114 K116 P117 I118 L123 F124 | V114-L120 WeakPolarHBondContact O-CD2 3.4Å; V114-L120 WeakPolarHBondContact O-CG 3.22Å; K116-L120 WeakPolarHBondContact O-CG 3.45Å; K116-L120 PolarHBondContact O-N 3.4Å; P117-L120 PolarHBondContact O-N 3.43Å; I118-L120 VanDerWaalsContact C-N 3.27Å; I118-L120 PolarHBondContact O-N 3.21Å; L120-L123 PolarHBondContact O-N 2.96Å; L120-F124 WeakPolarHBondContact O-CB 3.04Å; L120-F124 PolarHBondContact O-N 3.24Å |
| 121 | I | 79.5 | Confident | 84.1 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 175.6 | -68.2 | 164 | 0 | 0 | 0 | 109.8 | P117 I118 L123 F124 V125 A152 | P117-I121 VanDerWaalsContact O-CG1 3.28Å; P117-I121 WeakPolarHBondContact O-CG1 3.32Å; P117-I121 PolarHBondContact O-N 3.39Å; I118-I121 PolarHBondContact O-N 2.81Å; I118-I121 VanDerWaalsContact O-N 3.15Å; I121-L123 PolarHBondContact O-N 2.93Å; I121-F124 PolarHBondContact O-N 3.15Å; I121-V125 HydrophobicContact CG2-CG2 4.46Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 3.22Å; I121-A152 HydrophobicContact CG2-CB 3.62Å |
| 122 | E | 83.6 | Confident | 83.5 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 176.1 | -68.1 | 174.4 | 158.9 | 0 | 0 | 112.2 | Y91 R94 I118 F124 V125 L126 Y153 | Y91-E122 HydrophobicContact CD2-CB 4.23Å; Y91-E122 HydrophobicContact CE2-CB 4.29Å; R94-E122 IonicContact CZ-OE1 3.44Å; R94-E122 IonicContact CZ-OE2 3.48Å; R94-E122 IonicContact NH1-OE1 2.69Å; R94-E122 PolarHBondContact NH1-OE1 2.92Å; R94-E122 IonicContact NH1-OE2 2.74Å; R94-E122 PolarHBondContact NH1-OE2 3.41Å; R94-E122 IonicContact NH2-OE1 3.51Å; I118-E122 WeakPolarHBondContact O-CG 3.27Å; I118-E122 PolarHBondContact O-N 3.42Å; E122-F124 VanDerWaalsContact C-N 3.34Å; E122-F124 PolarHBondContact O-N 3.31Å; E122-V125 PolarHBondContact O-N 2.84Å; E122-L126 WeakPolarHBondContact O-CB 3.49Å; E122-L126 PolarHBondContact O-N 3.28Å; E122-Y153 HydrophobicContact CG-CD2 4.5Å; E122-Y153 HydrophobicContact CG-CE2 4.32Å; E122-Y153 VanDerWaalsContact OE1-CE2 3.31Å; E122-Y153 WeakPolarHBondContact OE1-CE2 3.04Å |
| 123 | L | 86.9 | Confident | 83 | Confident | 56 Ų | 56 | 57 Ų | 57 | 29% | 0.293 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 175.7 | -179.1 | 62.6 | 0 | 0 | 0 | 111.6 | Y91 V114 C119 L120 I121 L126 V127 | Y91-L123 HydrophobicContact CE1-CD1 4.01Å; V114-L123 HydrophobicContact CG1-CD2 4.12Å; C119-L123 VanDerWaalsContact O-CB 3.29Å; C119-L123 WeakPolarHBondContact O-CB 3.37Å; C119-L123 PolarHBondContact O-N 3.06Å; L120-L123 PolarHBondContact O-N 2.96Å; I121-L123 PolarHBondContact O-N 2.93Å; L123-L126 WeakPolarHBondContact O-CB 3.43Å; L123-L126 PolarHBondContact O-N 2.91Å; L123-V127 HydrophobicContact CD1-CG2 4.19Å; L123-V127 HydrophobicContact CG-CG2 4.44Å; L123-V127 WeakPolarHBondContact O-CB 3.45Å; L123-V127 VanDerWaalsContact O-CG2 3.26Å; L123-V127 WeakPolarHBondContact O-CG2 3.48Å; L123-V127 PolarHBondContact O-N 3.35Å |
| 124 | F | 84.3 | Confident | 82.7 | Confident | 130 Ų | 130 | 59.8 Ų | 59.8 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.5 | -46.7 | 176.5 | 176.7 | -99.4 | 0 | 0 | 0 | 111.5 | L120 I121 E122 L126 V127 T128 | L120-F124 WeakPolarHBondContact O-CB 3.04Å; L120-F124 PolarHBondContact O-N 3.24Å; I121-F124 PolarHBondContact O-N 3.15Å; E122-F124 VanDerWaalsContact C-N 3.34Å; E122-F124 PolarHBondContact O-N 3.31Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.17Å; F124-V127 PolarHBondContact O-N 2.87Å; F124-T128 WeakPolarHBondContact O-CB 3.4Å; F124-T128 PolarHBondContact O-N 3.31Å; F124-T128 PolarHBondContact O-OG1 3.42Å; F124-T128 VanDerWaalsContact O-OG1 3.12Å |
| 125 | V | 79.3 | Confident | 82 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57 | -47.3 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | I121 E122 T128 S129 P149 | I121-V125 HydrophobicContact CG2-CG2 4.46Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 3.22Å; E122-V125 PolarHBondContact O-N 2.84Å; V125-T128 PolarHBondContact O-N 3.49Å; V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 2.83Å; V125-S129 PolarHBondContact O-OG 3.16Å; V125-S129 VanDerWaalsContact O-OG 3.08Å; V125-P149 HydrophobicContact CG2-CB 4.47Å; V125-P149 HydrophobicContact CG2-CG 3.7Å |
| 126 | L | 84.9 | Confident | 80.8 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | -179.4 | -161.3 | 84.4 | 0 | 0 | 0 | 112.2 | L87 V88 Y91 E122 L123 F124 S129 I130 | L87-L126 HydrophobicContact CB-CD1 4.17Å; V88-L126 HydrophobicContact CB-CD1 4.3Å; V88-L126 HydrophobicContact CG2-CD1 3.58Å; V88-L126 HydrophobicContact CG2-CD2 4.13Å; V88-L126 HydrophobicContact CG2-CG 4.05Å; Y91-L126 HydrophobicContact CD1-CD2 4.28Å; E122-L126 WeakPolarHBondContact O-CB 3.49Å; E122-L126 PolarHBondContact O-N 3.28Å; L123-L126 WeakPolarHBondContact O-CB 3.43Å; L123-L126 PolarHBondContact O-N 2.91Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.17Å; L126-S129 PolarHBondContact O-N 2.94Å; L126-I130 HydrophobicContact CD2-CD1 4.33Å; L126-I130 HydrophobicContact CG-CD1 4.04Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.4Å; L126-I130 PolarHBondContact O-N 2.84Å |
| 127 | V | 87 | Confident | 80 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | -179.4 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | L123 F124 I130 A131 | L123-V127 HydrophobicContact CD1-CG2 4.19Å; L123-V127 HydrophobicContact CG-CG2 4.44Å; L123-V127 WeakPolarHBondContact O-CB 3.45Å; L123-V127 VanDerWaalsContact O-CG2 3.26Å; L123-V127 WeakPolarHBondContact O-CG2 3.48Å; L123-V127 PolarHBondContact O-N 3.35Å; F124-V127 PolarHBondContact O-N 2.87Å; V127-I130 PolarHBondContact O-N 3.29Å; V127-A131 VanDerWaalsContact O-CB 3.29Å; V127-A131 WeakPolarHBondContact O-CB 3.46Å; V127-A131 PolarHBondContact O-N 3.05Å |
| 128 | T | 80 | Confident | 79.1 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | F124 V125 A131 L132 | F124-T128 WeakPolarHBondContact O-CB 3.4Å; F124-T128 PolarHBondContact O-N 3.31Å; F124-T128 PolarHBondContact O-OG1 3.42Å; F124-T128 VanDerWaalsContact O-OG1 3.12Å; V125-T128 PolarHBondContact O-N 3.49Å; T128-A131 PolarHBondContact O-N 3.03Å; T128-L132 HydrophobicContact CG2-CD1 3.98Å; T128-L132 HydrophobicContact CG2-CG 4.41Å; T128-L132 WeakPolarHBondContact O-CB 3.5Å; T128-L132 VanDerWaalsContact O-CG 3.25Å; T128-L132 WeakPolarHBondContact O-CG 3.44Å; T128-L132 PolarHBondContact O-N 3.36Å |
| 129 | S | 79.6 | Confident | 78.1 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | V125 L126 L132 L133 | V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 2.83Å; V125-S129 PolarHBondContact O-OG 3.16Å; V125-S129 VanDerWaalsContact O-OG 3.08Å; L126-S129 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 3.47Å; S129-L133 WeakPolarHBondContact O-CG 3.41Å; S129-L133 PolarHBondContact O-N 2.7Å |
| 130 | I | 84.7 | Confident | 76.7 | Confident | 82 Ų | 82 | 73 Ų | 73 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 177.6 | -67.1 | 166.7 | 0 | 0 | 0 | 110.7 | T84 V88 L126 V127 L132 L133 A134 | T84-I130 HydrophobicContact CG2-CG1 3.94Å; V88-I130 HydrophobicContact CG2-CD1 4.24Å; L126-I130 HydrophobicContact CD2-CD1 4.33Å; L126-I130 HydrophobicContact CG-CD1 4.04Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.4Å; L126-I130 PolarHBondContact O-N 2.84Å; V127-I130 PolarHBondContact O-N 3.29Å; I130-L132 VanDerWaalsContact C-N 3.32Å; I130-L132 PolarHBondContact O-N 3.44Å; I130-L133 PolarHBondContact O-N 2.86Å; I130-A134 WeakPolarHBondContact O-CB 3.45Å; I130-A134 PolarHBondContact O-N 2.77Å |
| 131 | A | 83.7 | Confident | 75 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 42% | 0.421 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V127 T128 K135 | V127-A131 VanDerWaalsContact O-CB 3.29Å; V127-A131 WeakPolarHBondContact O-CB 3.46Å; V127-A131 PolarHBondContact O-N 3.05Å; T128-A131 PolarHBondContact O-N 3.03Å; A131-K135 PolarHBondContact O-N 3.43Å; A131-K135 VanDerWaalsContact O-N 3.13Å |
| 132 | L | 76 | Confident | 73.8 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 175.5 | -73.4 | 170 | 0 | 0 | 0 | 111.7 | T128 S129 I130 A134 K135 C136 | T128-L132 HydrophobicContact CG2-CD1 3.98Å; T128-L132 HydrophobicContact CG2-CG 4.41Å; T128-L132 WeakPolarHBondContact O-CB 3.5Å; T128-L132 VanDerWaalsContact O-CG 3.25Å; T128-L132 WeakPolarHBondContact O-CG 3.44Å; T128-L132 PolarHBondContact O-N 3.36Å; S129-L132 PolarHBondContact O-N 3.47Å; I130-L132 VanDerWaalsContact C-N 3.32Å; I130-L132 PolarHBondContact O-N 3.44Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.05Å; L132-K135 PolarHBondContact O-N 3.1Å; L132-C136 WeakPolarHBondContact O-CB 3.39Å; L132-C136 PolarHBondContact O-N 3.32Å |
| 133 | L | 78.4 | Confident | 72.2 | Confident | 18 Ų | 18 | 81.1 Ų | 81.1 | 9% | 0.094 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 176.3 | -73.2 | 170.7 | 0 | 0 | 0 | 111.9 | F77 E80 L81 T84 S129 I130 K135 C136 A137 | F77-L133 HydrophobicContact CD2-CD2 3.9Å; F77-L133 HydrophobicContact CE2-CD2 3.62Å; F77-L133 HydrophobicContact CZ-CD2 4.33Å; E80-L133 HydrophobicContact CB-CD2 4.08Å; L81-L133 HydrophobicContact CD1-CD1 4.24Å; T84-L133 HydrophobicContact CG2-CD1 4.04Å; S129-L133 WeakPolarHBondContact O-CG 3.41Å; S129-L133 PolarHBondContact O-N 2.7Å; I130-L133 PolarHBondContact O-N 2.86Å; L133-K135 PolarHBondContact O-N 3.44Å; L133-C136 PolarHBondContact O-N 3.4Å; L133-A137 PolarHBondContact O-N 3.33Å |
| 134 | A | 80.8 | Confident | 70.5 | Confident | 60 Ų | 60 | 81 Ų | 81 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.1 | -34.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I130 L132 | I130-A134 WeakPolarHBondContact O-CB 3.45Å; I130-A134 PolarHBondContact O-N 2.77Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.05Å |
| 135 | K | 74.8 | Confident | 68.8 | Low | 138 Ų | 138 | 78.9 Ų | 78.9 | 60% | 0.6 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -73.3 | -41.7 | 174 | -76.9 | -170.8 | 176.2 | -167.7 | 0 | 112.2 | A131 L132 L133 A137 K138 E139 I142 | A131-K135 PolarHBondContact O-N 3.43Å; A131-K135 VanDerWaalsContact O-N 3.13Å; L132-K135 PolarHBondContact O-N 3.1Å; L133-K135 PolarHBondContact O-N 3.44Å; K135-A137 PolarHBondContact O-N 2.73Å; K135-K138 PolarHBondContact O-N 2.73Å; K135-E139 PolarHBondContact O-N 2.99Å; K135-E139 VanDerWaalsContact O-N 3.16Å; K135-I142 HydrophobicContact CB-CD1 3.99Å; K135-I142 HydrophobicContact CD-CD1 4.39Å |
| 136 | C | 65 | Low | 67.4 | Low | 49 Ų | 49 | 83.6 Ų | 83.6 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -24.7 | -179.6 | -150.6 | 0 | 0 | 0 | 0 | 112.5 | F77 L132 L133 K138 | F77-C136 HydrophobicContact CE2-CB 4.31Å; L132-C136 WeakPolarHBondContact O-CB 3.39Å; L132-C136 PolarHBondContact O-N 3.32Å; L133-C136 PolarHBondContact O-N 3.4Å; C136-K138 PolarHBondContact O-N 3Å |
| 137 | A | 65.6 | Low | 65.8 | Low | 79 Ų | 79 | 85 Ų | 85 | 65% | 0.653 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | L133 K135 | L133-A137 PolarHBondContact O-N 3.33Å; K135-A137 PolarHBondContact O-N 2.73Å |
| 138 | K | 60.6 | Low | 63.9 | Low | 187 Ų | 187 | 89.5 Ų | 89.5 | 81% | 0.813 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -30.1 | -178.3 | -69.4 | -173.2 | 177.3 | -175.2 | 0 | 113.8 | K135 C136 | K135-K138 PolarHBondContact O-N 2.73Å; C136-K138 PolarHBondContact O-N 3Å |
| 139 | E | 55.1 | Low | 62.4 | Low | 135 Ų | 135 | 89 Ų | 89 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | trans | -138.2 | 129 | -179.5 | -68.6 | -168 | -170.7 | 0 | 0 | 112.3 | K135 K141 | K135-E139 PolarHBondContact O-N 2.99Å; K135-E139 VanDerWaalsContact O-N 3.16Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 2.89Å | ||
| 140 | V | 55 | Low | 60.8 | Low | 119 Ų | 119 | 90.6 Ų | 90.6 | 72% | 0.721 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -75.9 | -10.1 | -174.2 | 177.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 141 | K | 51 | Low | 58.9 | Low | 192 Ų | 192 | 90.1 Ų | 90.1 | 84% | 0.835 | 50% | 0.499 | S | S | * | . | trans | -113.1 | 45.2 | -165.9 | -73 | -174.3 | 175.3 | 178.9 | 0 | 115.2 | E139 | E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 2.89Å | ||
| 142 | I | 52.9 | Low | 56.9 | Low | 65 Ų | 65 | 89.3 Ų | 89.3 | 33% | 0.333 | 49% | 0.493 | S | S | . | . | trans | -105.2 | 105.9 | 166.4 | -53 | 174.9 | 0 | 0 | 0 | 107.7 | K135 L144 | K135-I142 HydrophobicContact CB-CD1 3.99Å; K135-I142 HydrophobicContact CD-CD1 4.39Å; I142-L144 PolarHBondContact O-N 3.44Å; I142-L144 VanDerWaalsContact O-N 3.16Å | ||
| 143 | P | 50.5 | Low | 55.5 | Low | 105 Ų | 105 | 90.5 Ų | 90.5 | 68% | 0.682 | 50% | 0.495 | S | S | * | . | trans | -60.8 | 125.5 | 173.5 | 26 | -30.7 | 0 | 0 | 0 | 107.8 | A145 | P143-A145 PolarHBondContact O-N 3.07Š| ||
| 144 | L | 51.9 | Low | 53.8 | Low | 54 Ų | 54 | 94.2 Ų | 94.2 | 28% | 0.283 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 37.3 | -170.4 | -158.5 | 67.9 | 0 | 0 | 0 | 113.6 | T65 L76 E80 I142 R147 | T65-L144 HydrophobicContact CG2-CD2 4Å; T65-L144 HydrophobicContact CG2-CG 4.29Å; L76-L144 HydrophobicContact CD2-CD2 3.15Å; L76-L144 HydrophobicContact CG-CD2 3.61Å; E80-L144 WeakPolarHBondContact OE1-CD1 3.45Å; E80-L144 WeakPolarHBondContact OE1-CD2 3.35Å; I142-L144 PolarHBondContact O-N 3.44Å; I142-L144 VanDerWaalsContact O-N 3.16Å; L144-R147 VanDerWaalsContact CD1-CZ 3.47Å; L144-R147 VanDerWaalsContact CD1-NH1 3.26Å; L144-R147 HydrophobicContact CG-CG 4.26Å; L144-R147 VanDerWaalsContact CG-NH1 3.29Å; L144-R147 VanDerWaalsContact O-CG 3.3Å; L144-R147 WeakPolarHBondContact O-CG 3.42Å |
| 145 | A | 48.6 | Very low | 51.9 | Low | 85 Ų | 85 | 94 Ų | 94 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -11.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | P143 R147 | P143-A145 PolarHBondContact O-N 3.07Å; A145-R147 PolarHBondContact O-N 3.24Å |
| 146 | I | 49.9 | Very low | 50.3 | Low | 125 Ų | 125 | 89.7 Ų | 89.7 | 64% | 0.641 | 50% | 0.502 | S | S | * | . | trans | -86.3 | 57.2 | -179.1 | -47.5 | 179.5 | 0 | 0 | 0 | 109.8 | ||||
| 147 | R | 51.1 | Low | 49.3 | Very low | 51 Ų | 51 | 91.6 Ų | 91.6 | 19% | 0.192 | 51% | 0.514 | C | S | . | . | trans | -121 | 16 | -157.7 | -92 | -71.4 | 159.2 | 81.6 | 1.7 | 117.4 | T65 E80 L144 A145 | T65-R147 HydrophobicContact CG2-CG 4.4Å; E80-R147 IonicContact OE1-CZ 3.98Å; E80-R147 IonicContact OE1-NH1 2.65Å; E80-R147 PolarHBondContact OE1-NH1 2.91Å; E80-R147 IonicContact OE1-NH2 2.84Å; E80-R147 PolarHBondContact OE1-NH2 3.26Å; E80-R147 IonicContact OE2-CZ 2.71Å; E80-R147 IonicContact OE2-NH1 3.8Å; E80-R147 PolarHBondContact OE2-NH1 3.39Å; E80-R147 IonicContact OE2-NH2 3.59Å; E80-R147 PolarHBondContact OE2-NH2 2.93Å; L144-R147 VanDerWaalsContact CD1-CZ 3.47Å; L144-R147 VanDerWaalsContact CD1-NH1 3.26Å; L144-R147 HydrophobicContact CG-CG 4.26Å; L144-R147 VanDerWaalsContact CG-NH1 3.29Å; L144-R147 VanDerWaalsContact O-CG 3.3Å; L144-R147 WeakPolarHBondContact O-CG 3.42Å; A145-R147 PolarHBondContact O-N 3.24Å | ||
| 148 | F | 47.7 | Very low | 48.4 | Very low | 177 Ų | 177 | 93.6 Ų | 93.6 | 78% | 0.776 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 153.9 | 147.1 | -69.1 | -83 | 0 | 0 | 0 | 109.4 | ||
| 149 | P | 48.5 | Very low | 47.6 | Very low | 32 Ų | 32 | 89.9 Ų | 89.9 | 21% | 0.208 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -128.2 | 62 | 10.5 | 18.9 | 8.1 | 0 | 0 | 0 | 113.4 | V125 S151 A152 | V125-P149 HydrophobicContact CG2-CB 4.47Å; V125-P149 HydrophobicContact CG2-CG 3.7Å; P149-S151 PolarHBondContact O-N 3.42Å; P149-S151 VanDerWaalsContact O-N 3.12Å; P149-A152 HydrophobicContact CB-CB 4.18Å; P149-A152 VanDerWaalsContact O-CB 3.26Å; P149-A152 WeakPolarHBondContact O-CB 3.36Å; P149-A152 PolarHBondContact O-N 2.87Å |
| 150 | V | 44.3 | Very low | 47.2 | Very low | 58 Ų | 58 | 89.4 Ų | 89.4 | 35% | 0.352 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -53.5 | -29.8 | 171.6 | 149.8 | 0 | 0 | 0 | 0 | 112.8 | I58 A152 Y153 | I58-V150 HydrophobicContact CG2-CB 3.99Å; I58-V150 HydrophobicContact CG2-CG1 3.1Å; I58-V150 HydrophobicContact CG2-CG2 3.77Å; V150-A152 PolarHBondContact O-N 2.9Å; V150-Y153 PolarHBondContact O-N 3.26Å |
| 151 | S | 44.8 | Very low | 46.7 | Very low | 73 Ų | 73 | 90.5 Ų | 90.5 | 51% | 0.51 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -65.1 | -17 | 174.6 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | P149 Y153 I154 | P149-S151 PolarHBondContact O-N 3.42Å; P149-S151 VanDerWaalsContact O-N 3.12Å; S151-Y153 VanDerWaalsContact C-N 3.33Å; S151-Y153 PolarHBondContact O-N 3.36Å; S151-I154 PolarHBondContact O-N 3.45Å |
| 152 | A | 43.3 | Very low | 46.5 | Very low | 34 Ų | 34 | 82.6 Ų | 82.6 | 28% | 0.281 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -72.2 | -25.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I121 P149 V150 I154 | I121-A152 HydrophobicContact CG2-CB 3.62Å; P149-A152 HydrophobicContact CB-CB 4.18Å; P149-A152 VanDerWaalsContact O-CB 3.26Å; P149-A152 WeakPolarHBondContact O-CB 3.36Å; P149-A152 PolarHBondContact O-N 2.87Å; V150-A152 PolarHBondContact O-N 2.9Å; A152-I154 VanDerWaalsContact C-N 3.31Å; A152-I154 PolarHBondContact O-N 3.1Å |
| 153 | Y | 46.4 | Very low | 46.2 | Very low | 64 Ų | 64 | 84 Ų | 84 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -27.4 | 179.9 | -148.4 | -107.4 | 0 | 0 | 0 | 112.7 | V54 E90 R94 E122 V150 S151 | V54-Y153 HydrophobicContact CG1-CE1 4.39Å; E90-Y153 PolarHBondContact OE1-OH 2.95Å; E90-Y153 PolarHBondContact OE2-OH 3.44Å; R94-Y153 PolarHBondContact NH2-OH 2.92Å; E122-Y153 HydrophobicContact CG-CD2 4.5Å; E122-Y153 HydrophobicContact CG-CE2 4.32Å; E122-Y153 VanDerWaalsContact OE1-CE2 3.31Å; E122-Y153 WeakPolarHBondContact OE1-CE2 3.04Å; V150-Y153 PolarHBondContact O-N 3.26Å; S151-Y153 VanDerWaalsContact C-N 3.33Å; S151-Y153 PolarHBondContact O-N 3.36Å |
| 154 | I | 42.4 | Very low | 46.1 | Very low | 96 Ų | 96 | 87.8 Ų | 87.8 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -22.4 | -175.2 | -61.6 | 134.3 | 0 | 0 | 0 | 111.7 | F55 S151 A152 A156 | F55-I154 HydrophobicContact CD2-CD1 3.54Å; F55-I154 HydrophobicContact CD2-CG1 3.41Å; F55-I154 VanDerWaalsContact CD2-CG1 3.41Å; F55-I154 HydrophobicContact CE2-CD1 3.33Å; F55-I154 HydrophobicContact CE2-CG1 3.51Å; F55-I154 HydrophobicContact CE2-CG2 4.34Å; S151-I154 PolarHBondContact O-N 3.45Å; A152-I154 VanDerWaalsContact C-N 3.31Å; A152-I154 PolarHBondContact O-N 3.1Å; I154-A156 PolarHBondContact O-N 2.88Å; I154-A156 VanDerWaalsContact O-N 3.08Å |
| 155 | A | 40.6 | Very low | 46.1 | Very low | 57 Ų | 57 | 91.1 Ų | 91.1 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | trans | -83.8 | 27.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P157 R160 | A155-P157 WeakPolarHBondContact O-CD 3.39Å; A155-R160 PolarHBondContact O-NH2 3.26Å | ||
| 156 | A | 41.5 | Very low | 46.4 | Very low | 47 Ų | 47 | 87.8 Ų | 87.8 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | trans | -105.6 | 75 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I154 S158 | I154-A156 PolarHBondContact O-N 2.88Å; I154-A156 VanDerWaalsContact O-N 3.08Å; A156-S158 PolarHBondContact O-N 3.19Å; A156-S158 VanDerWaalsContact O-N 3.08Å | ||
| 157 | P | 43.9 | Very low | 46.6 | Very low | 88 Ų | 88 | 87 Ų | 87 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | trans | -64.6 | 116.3 | 160.9 | 26 | -26.3 | 0 | 0 | 0 | 107.9 | A155 N159 | A155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-N159 PolarHBondContact O-N 2.86Å | ||
| 158 | S | 47.1 | Very low | 47.1 | Very low | 122 Ų | 122 | 85.2 Ų | 85.2 | 85% | 0.853 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -63.2 | 21.9 | 179.8 | 50.8 | 0 | 0 | 0 | 0 | 114.9 | A156 | A156-S158 PolarHBondContact O-N 3.19Å; A156-S158 VanDerWaalsContact O-N 3.08Å |
| 159 | N | 43.3 | Very low | 48.2 | Very low | 108 Ų | 108 | 81.1 Ų | 81.1 | 58% | 0.578 | 46% | 0.458 | S | S | * | . | trans | -140.9 | 56.1 | 174.2 | -101.9 | -27 | 0 | 0 | 0 | 109.7 | P157 Q161 A162 | P157-N159 PolarHBondContact O-N 2.86Å; N159-Q161 PolarHBondContact O-N 3.23Å; N159-A162 HydrophobicContact CB-CB 4.1Å; N159-A162 WeakPolarHBondContact O-CB 3.36Å; N159-A162 PolarHBondContact O-N 3.18Å | ||
| 160 | R | 47 | Very low | 49.5 | Very low | 126 Ų | 126 | 82 Ų | 82 | 48% | 0.475 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64 | -10.5 | -179.7 | -146.1 | 169.2 | -74.2 | -121.9 | 1.7 | 113.2 | A155 | A155-R160 PolarHBondContact O-NH2 3.26Å |
| 161 | Q | 44.8 | Very low | 51.3 | Low | 142 Ų | 142 | 85.2 Ų | 85.2 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -74.5 | -25.9 | 166.1 | -75.7 | -178.3 | -4.5 | 0 | 0 | 113.5 | N159 Q165 | N159-Q161 PolarHBondContact O-N 3.23Å; Q161-Q165 VanDerWaalsContact O-CB 3.24Å; Q161-Q165 WeakPolarHBondContact O-CB 3.48Å; Q161-Q165 VanDerWaalsContact O-CD 3.26Å; Q161-Q165 WeakPolarHBondContact O-CG 3.32Å; Q161-Q165 PolarHBondContact O-N 3.15Å; Q161-Q165 PolarHBondContact O-OE1 3.03Å |
| 162 | A | 46 | Very low | 53.3 | Low | 26 Ų | 26 | 83.2 Ų | 83.2 | 22% | 0.215 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.5 | -33.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N159 L166 K264 | N159-A162 HydrophobicContact CB-CB 4.1Å; N159-A162 WeakPolarHBondContact O-CB 3.36Å; N159-A162 PolarHBondContact O-N 3.18Å; A162-L166 WeakPolarHBondContact O-CD1 3.38Å; A162-K264 VanDerWaalsContact CA-NZ 3.28Å; A162-K264 HydrophobicContact CB-CD 4.42Å; A162-K264 PolarHBondContact O-NZ 3.48Å |
| 163 | L | 46.3 | Very low | 55.4 | Low | 93 Ų | 93 | 86.1 Ų | 86.1 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.2 | -41 | -178.2 | -169.4 | 66 | 0 | 0 | 0 | 112.1 | Q165 L166 F261 | L163-Q165 VanDerWaalsContact C-N 3.34Å; L163-L166 WeakPolarHBondContact O-CD1 3.5Å; L163-F261 HydrophobicContact CD1-CE1 4.17Å; L163-F261 HydrophobicContact CD1-CZ 3.63Å |
| 164 | W | 48.7 | Very low | 57.4 | Low | 186 Ų | 186 | 86.8 Ų | 86.8 | 71% | 0.705 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -79.9 | -14.6 | 178.1 | -61.2 | 111.9 | 0 | 0 | 0 | 114.2 | ||
| 165 | Q | 52.7 | Low | 59.8 | Low | 124 Ų | 124 | 82.8 Ų | 82.8 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 7.8 | 177.7 | -73.6 | 173.8 | -1.5 | 0 | 0 | 113.1 | Q161 L163 A167 | Q161-Q165 VanDerWaalsContact O-CB 3.24Å; Q161-Q165 WeakPolarHBondContact O-CB 3.48Å; Q161-Q165 VanDerWaalsContact O-CD 3.26Å; Q161-Q165 WeakPolarHBondContact O-CG 3.32Å; Q161-Q165 PolarHBondContact O-N 3.15Å; Q161-Q165 PolarHBondContact O-OE1 3.03Å; L163-Q165 VanDerWaalsContact C-N 3.34Å; Q165-A167 PolarHBondContact O-N 3.21Å; Q165-A167 VanDerWaalsContact O-N 3.14Å |
| 166 | L | 54.6 | Low | 62.3 | Low | 15 Ų | 15 | 84 Ų | 84 | 8% | 0.079 | 47% | 0.471 | C | S | . | . | trans | -69.2 | 111.7 | 166 | -81.6 | 112 | 0 | 0 | 0 | 107.3 | A162 L163 S168 G260 F261 | A162-L166 WeakPolarHBondContact O-CD1 3.38Å; L163-L166 WeakPolarHBondContact O-CD1 3.5Å; L166-S168 PolarHBondContact O-N 3.42Å; L166-G260 VanDerWaalsContact CD2-C 3.44Å; L166-F261 HydrophobicContact CD1-CD1 4.29Å; L166-F261 HydrophobicContact CD1-CE1 3.82Å; L166-F261 HydrophobicContact CD1-CZ 4.26Å | ||
| 167 | A | 52.9 | Low | 64.7 | Low | 107 Ų | 107 | 88.9 Ų | 88.9 | 88% | 0.884 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -3.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q165 L169 | Q165-A167 PolarHBondContact O-N 3.21Å; Q165-A167 VanDerWaalsContact O-N 3.14Å; A167-L169 VanDerWaalsContact C-N 3.31Å; A167-L169 PolarHBondContact O-N 3.06Å |
| 168 | S | 62 | Low | 67.1 | Low | 15 Ų | 15 | 87.5 Ų | 87.5 | 11% | 0.105 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 11.5 | -177.2 | 57 | 0 | 0 | 0 | 0 | 114.5 | L166 G170 E171 L172 | L166-S168 PolarHBondContact O-N 3.42Å; S168-G170 PolarHBondContact O-N 3.35Å; S168-E171 PolarHBondContact O-N 2.9Å; S168-L172 VanDerWaalsContact O-CB 3.26Å; S168-L172 WeakPolarHBondContact O-CB 3.31Å; S168-L172 PolarHBondContact O-N 2.94Å |
| 169 | L | 70.8 | Confident | 69.4 | Low | 91 Ų | 91 | 82 Ų | 82 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.2 | -36.7 | 175.9 | -71.7 | 177.8 | 0 | 0 | 0 | 111.8 | A167 V173 | A167-L169 VanDerWaalsContact C-N 3.31Å; A167-L169 PolarHBondContact O-N 3.06Å; L169-V173 WeakPolarHBondContact O-CB 3.42Å; L169-V173 WeakPolarHBondContact O-CG2 3.48Å; L169-V173 PolarHBondContact O-N 3.34Å |
| 170 | G | 77.1 | Confident | 71.8 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.2 | -50 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S168 L172 V173 T174 | S168-G170 PolarHBondContact O-N 3.35Å; G170-L172 VanDerWaalsContact C-N 3.34Å; G170-L172 PolarHBondContact O-N 3.41Å; G170-V173 PolarHBondContact O-N 3.01Å; G170-T174 PolarHBondContact O-N 3.27Å; G170-T174 VanDerWaalsContact O-N 3.16Å; G170-T174 PolarHBondContact O-OG1 2.88Å |
| 171 | E | 81 | Confident | 74.1 | Confident | 125 Ų | 125 | 77.2 Ų | 77.2 | 58% | 0.584 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 178.2 | -65 | 171.2 | 178.7 | 0 | 0 | 111.3 | S168 T174 T175 I256 | S168-E171 PolarHBondContact O-N 2.9Å; E171-T174 PolarHBondContact O-N 3.35Å; E171-T175 WeakPolarHBondContact O-CG2 3.43Å; E171-T175 PolarHBondContact O-N 3.44Å; E171-I256 HydrophobicContact CB-CD1 4.36Å |
| 172 | L | 86.3 | Confident | 76.5 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 16% | 0.162 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.8 | -177.2 | 65.7 | 0 | 0 | 0 | 111.5 | S168 G170 T174 T175 I176 P253 | S168-L172 VanDerWaalsContact O-CB 3.26Å; S168-L172 WeakPolarHBondContact O-CB 3.31Å; S168-L172 PolarHBondContact O-N 2.94Å; G170-L172 VanDerWaalsContact C-N 3.34Å; G170-L172 PolarHBondContact O-N 3.41Å; L172-T174 VanDerWaalsContact C-N 3.31Å; L172-T174 PolarHBondContact O-N 3.3Å; L172-T175 PolarHBondContact O-N 3.4Å; L172-T175 PolarHBondContact O-OG1 3.43Å; L172-I176 HydrophobicContact CD1-CD1 4.1Å; L172-I176 HydrophobicContact CD1-CG1 4.41Å; L172-I176 HydrophobicContact CD2-CD1 4.49Å; L172-I176 HydrophobicContact CG-CD1 3.86Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 3.22Å; L172-P253 HydrophobicContact CD1-CB 3.65Å; L172-P253 HydrophobicContact CD1-CG 4.11Å |
| 173 | V | 88 | Confident | 78.9 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.6 | -43.2 | 178 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | L169 G170 T175 I176 Y177 | L169-V173 WeakPolarHBondContact O-CB 3.42Å; L169-V173 WeakPolarHBondContact O-CG2 3.48Å; L169-V173 PolarHBondContact O-N 3.34Å; G170-V173 PolarHBondContact O-N 3.01Å; V173-T175 PolarHBondContact O-N 3.26Å; V173-I176 PolarHBondContact O-N 2.96Å; V173-Y177 VanDerWaalsContact O-CB 3.29Å; V173-Y177 WeakPolarHBondContact O-CB 3.37Å; V173-Y177 PolarHBondContact O-N 2.99Å |
| 174 | T | 89.3 | Confident | 81.3 | Confident | 78 Ų | 78 | 70.1 Ų | 70.1 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | G170 E171 L172 Y177 I178 | G170-T174 PolarHBondContact O-N 3.27Å; G170-T174 VanDerWaalsContact O-N 3.16Å; G170-T174 PolarHBondContact O-OG1 2.88Å; E171-T174 PolarHBondContact O-N 3.35Å; L172-T174 VanDerWaalsContact C-N 3.31Å; L172-T174 PolarHBondContact O-N 3.3Å; T174-Y177 PolarHBondContact O-N 3.48Å; T174-I178 HydrophobicContact CG2-CD1 3.9Å; T174-I178 WeakPolarHBondContact O-CG1 3.41Å; T174-I178 PolarHBondContact O-N 3.42Å |
| 175 | T | 91.8 | Very high | 83.5 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.08 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 178.7 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | E171 L172 V173 I178 S179 L252 I256 | E171-T175 WeakPolarHBondContact O-CG2 3.43Å; E171-T175 PolarHBondContact O-N 3.44Å; L172-T175 PolarHBondContact O-N 3.4Å; L172-T175 PolarHBondContact O-OG1 3.43Å; V173-T175 PolarHBondContact O-N 3.26Å; T175-I178 PolarHBondContact O-N 3.35Å; T175-S179 WeakPolarHBondContact O-CB 3.35Å; T175-S179 PolarHBondContact O-N 3.41Å; T175-S179 PolarHBondContact O-OG 3.25Å; T175-L252 HydrophobicContact CG2-CB 3.82Å; T175-L252 HydrophobicContact CG2-CD1 3.63Å; T175-L252 HydrophobicContact CG2-CG 4.38Å; T175-I256 HydrophobicContact CG2-CD1 3.69Å |
| 176 | I | 92.4 | Very high | 85.5 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 43% | 0.426 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 175.8 | -67.8 | 170.4 | 0 | 0 | 0 | 109.9 | L172 V173 S179 V180 | L172-I176 HydrophobicContact CD1-CD1 4.1Å; L172-I176 HydrophobicContact CD1-CG1 4.41Å; L172-I176 HydrophobicContact CD2-CD1 4.49Å; L172-I176 HydrophobicContact CG-CD1 3.86Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 3.22Å; V173-I176 PolarHBondContact O-N 2.96Å; I176-S179 WeakPolarHBondContact O-CB 3.49Å; I176-S179 PolarHBondContact O-N 2.98Å; I176-V180 HydrophobicContact CG2-CG2 4.31Å; I176-V180 VanDerWaalsContact O-CG2 3.31Å; I176-V180 WeakPolarHBondContact O-CG2 3.48Å; I176-V180 PolarHBondContact O-N 3.21Å |
| 177 | Y | 93.6 | Very high | 87.5 | Confident | 148 Ų | 148 | 60.5 Ų | 60.5 | 58% | 0.58 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.6 | -48.9 | 177.9 | 176.4 | -102.4 | 0 | 0 | 0 | 112.3 | V173 T174 S179 V180 L181 | V173-Y177 VanDerWaalsContact O-CB 3.29Å; V173-Y177 WeakPolarHBondContact O-CB 3.37Å; V173-Y177 PolarHBondContact O-N 2.99Å; T174-Y177 PolarHBondContact O-N 3.48Å; Y177-S179 VanDerWaalsContact C-N 3.29Å; Y177-S179 PolarHBondContact O-N 2.93Å; Y177-V180 PolarHBondContact O-N 3.32Å; Y177-L181 HydrophobicContact CD1-CD1 4.05Å; Y177-L181 HydrophobicContact CE1-CD1 3.39Å; Y177-L181 HydrophobicContact CE1-CG 4.25Å; Y177-L181 HydrophobicContact CE2-CD1 4.24Å; Y177-L181 HydrophobicContact CE2-CG 4.35Å; Y177-L181 PolarHBondContact O-N 3.07Å |
| 178 | I | 93.8 | Very high | 89.6 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.4 | -66.4 | 168.2 | 0 | 0 | 0 | 110.6 | T174 T175 L181 G182 F249 | T174-I178 HydrophobicContact CG2-CD1 3.9Å; T174-I178 WeakPolarHBondContact O-CG1 3.41Å; T174-I178 PolarHBondContact O-N 3.42Å; T175-I178 PolarHBondContact O-N 3.35Å; I178-L181 PolarHBondContact O-N 3.17Å; I178-G182 PolarHBondContact O-N 3.49Å; I178-F249 HydrophobicContact CB-CD1 4.39Å; I178-F249 HydrophobicContact CD1-CE1 4.29Å; I178-F249 HydrophobicContact CG2-CB 4.4Å; I178-F249 HydrophobicContact CG2-CD1 3.7Å; I178-F249 HydrophobicContact CG2-CD2 4.11Å; I178-F249 HydrophobicContact CG2-CE1 3.93Å; I178-F249 HydrophobicContact CG2-CE2 4.32Å; I178-F249 HydrophobicContact CG2-CG 3.81Å; I178-F249 HydrophobicContact CG2-CZ 4.24Å |
| 179 | S | 94 | Very high | 91.2 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 178.2 | -57.7 | 0 | 0 | 0 | 0 | 112 | T175 I176 Y177 G182 L183 F249 F250 | T175-S179 WeakPolarHBondContact O-CB 3.35Å; T175-S179 PolarHBondContact O-N 3.41Å; T175-S179 PolarHBondContact O-OG 3.25Å; I176-S179 WeakPolarHBondContact O-CB 3.49Å; I176-S179 PolarHBondContact O-N 2.98Å; Y177-S179 VanDerWaalsContact C-N 3.29Å; Y177-S179 PolarHBondContact O-N 2.93Å; S179-G182 PolarHBondContact O-N 3.23Å; S179-L183 PolarHBondContact O-N 2.98Å; S179-F249 PolarHBondContact OG-O 2.76Å; S179-F250 WeakPolarHBondContact O-CE2 3.47Å; S179-F250 VanDerWaalsContact O-CZ 3.3Å; S179-F250 WeakPolarHBondContact O-CZ 3.2Å |
| 180 | V | 95.4 | Very high | 92.4 | Very high | 73 Ų | 73 | 61 Ų | 61 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111.3 | I176 Y177 L183 I184 | I176-V180 HydrophobicContact CG2-CG2 4.31Å; I176-V180 VanDerWaalsContact O-CG2 3.31Å; I176-V180 WeakPolarHBondContact O-CG2 3.48Å; I176-V180 PolarHBondContact O-N 3.21Å; Y177-V180 PolarHBondContact O-N 3.32Å; V180-L183 WeakPolarHBondContact O-CB 3.4Å; V180-L183 PolarHBondContact O-N 3.36Å; V180-I184 HydrophobicContact CG1-CD1 4.09Å; V180-I184 WeakPolarHBondContact O-CG1 3.45Å; V180-I184 PolarHBondContact O-N 3.32Å |
| 181 | L | 95.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 173.9 | -74.5 | -178.6 | 0 | 0 | 0 | 111.6 | Y177 I178 L183 I184 F185 | Y177-L181 HydrophobicContact CD1-CD1 4.05Å; Y177-L181 HydrophobicContact CE1-CD1 3.39Å; Y177-L181 HydrophobicContact CE1-CG 4.25Å; Y177-L181 HydrophobicContact CE2-CD1 4.24Å; Y177-L181 HydrophobicContact CE2-CG 4.35Å; Y177-L181 PolarHBondContact O-N 3.07Å; I178-L181 PolarHBondContact O-N 3.17Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 3.2Å; L181-I184 PolarHBondContact O-N 3.47Å; L181-F185 HydrophobicContact CD2-CE2 4.48Å; L181-F185 VanDerWaalsContact O-CD2 3.26Å; L181-F185 WeakPolarHBondContact O-CD2 3.41Å; L181-F185 PolarHBondContact O-N 2.94Å |
| 182 | G | 94.8 | Very high | 94 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.3 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I178 S179 G186 L246 | I178-G182 PolarHBondContact O-N 3.49Å; S179-G182 PolarHBondContact O-N 3.23Å; G182-G186 WeakPolarHBondContact O-CA 3.46Å; G182-G186 PolarHBondContact O-N 3.16Å; G182-L246 WeakPolarHBondContact O-CD1 3.24Å |
| 183 | L | 96.1 | Very high | 94.4 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 174.8 | -176.3 | 63.8 | 0 | 0 | 0 | 111.8 | S179 V180 L181 S187 M213 V217 F220 F250 | S179-L183 PolarHBondContact O-N 2.98Å; V180-L183 WeakPolarHBondContact O-CB 3.4Å; V180-L183 PolarHBondContact O-N 3.36Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 3.2Å; L183-S187 WeakPolarHBondContact O-CB 3.41Å; L183-S187 PolarHBondContact O-N 3.4Å; L183-S187 PolarHBondContact O-OG 3.12Å; L183-M213 HydrophobicContact CD2-CG 4.39Å; L183-M213 HydrophobicContact CG-CG 4.4Å; L183-V217 HydrophobicContact CD1-CG2 3.88Å; L183-V217 HydrophobicContact CD2-CG2 3.84Å; L183-F220 HydrophobicContact CD1-CD2 3.81Å; L183-F220 HydrophobicContact CD1-CE2 3.98Å; L183-F250 HydrophobicContact CB-CZ 4.13Å |
| 184 | I | 96.8 | Very high | 94.7 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -51.7 | -178 | -67 | 165.9 | 0 | 0 | 0 | 110.3 | V180 L181 Y188 Y209 | V180-I184 HydrophobicContact CG1-CD1 4.09Å; V180-I184 WeakPolarHBondContact O-CG1 3.45Å; V180-I184 PolarHBondContact O-N 3.32Å; L181-I184 PolarHBondContact O-N 3.47Å; I184-Y188 VanDerWaalsContact O-CB 3.28Å; I184-Y188 WeakPolarHBondContact O-CB 3.38Å; I184-Y188 PolarHBondContact O-N 3.05Å; I184-Y209 PolarHBondContact O-OH 3.08Å |
| 185 | F | 95.4 | Very high | 94.7 | Very high | 117 Ų | 117 | 53.7 Ų | 53.7 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | -179.4 | -75.8 | -69.2 | 0 | 0 | 0 | 112.4 | L181 S187 Y188 F189 | L181-F185 HydrophobicContact CD2-CE2 4.48Å; L181-F185 VanDerWaalsContact O-CD2 3.26Å; L181-F185 WeakPolarHBondContact O-CD2 3.41Å; L181-F185 PolarHBondContact O-N 2.94Å; F185-S187 VanDerWaalsContact C-N 3.35Å; F185-S187 PolarHBondContact O-N 3.14Å; F185-Y188 PolarHBondContact O-N 2.99Å; F185-F189 HydrophobicContact CB-CE2 4.37Å; F185-F189 HydrophobicContact CD1-CE2 4.48Å; F185-F189 WeakPolarHBondContact O-CD2 3.46Å; F185-F189 PolarHBondContact O-N 3.08Å |
| 186 | G | 94.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | G182 M190 | G182-G186 WeakPolarHBondContact O-CA 3.46Å; G182-G186 PolarHBondContact O-N 3.16Å; G186-M190 WeakPolarHBondContact O-CB 3.43Å; G186-M190 PolarHBondContact O-N 2.91Å; G186-M190 VanDerWaalsContact O-N 3.09Å |
| 187 | S | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.7 | -37.8 | 177.1 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | L183 F185 M190 F191 A212 M213 | L183-S187 WeakPolarHBondContact O-CB 3.41Å; L183-S187 PolarHBondContact O-N 3.4Å; L183-S187 PolarHBondContact O-OG 3.12Å; F185-S187 VanDerWaalsContact C-N 3.35Å; F185-S187 PolarHBondContact O-N 3.14Å; S187-M190 PolarHBondContact O-N 3.49Å; S187-F191 WeakPolarHBondContact O-CB 3.26Å; S187-F191 PolarHBondContact O-N 3.25Å; S187-A212 WeakPolarHBondContact O-CB 3.34Å; S187-M213 WeakPolarHBondContact OG-CA 3.25Å |
| 188 | Y | 96.2 | Very high | 93.9 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 45% | 0.451 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 177.2 | -179.5 | -104.2 | 0 | 0 | 0 | 112.3 | I184 F185 M190 F191 L192 Y209 | I184-Y188 VanDerWaalsContact O-CB 3.28Å; I184-Y188 WeakPolarHBondContact O-CB 3.38Å; I184-Y188 PolarHBondContact O-N 3.05Å; F185-Y188 PolarHBondContact O-N 2.99Å; Y188-M190 VanDerWaalsContact C-N 3.32Å; Y188-M190 PolarHBondContact O-N 3.42Å; Y188-F191 PolarHBondContact O-N 3.46Å; Y188-L192 HydrophobicContact CD1-CD1 4.09Å; Y188-L192 HydrophobicContact CE1-CD1 3.46Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.46Å; Y188-L192 HydrophobicContact CE1-CG 4.21Å; Y188-L192 HydrophobicContact CE2-CD1 4.48Å; Y188-L192 HydrophobicContact CE2-CG 4.48Å; Y188-L192 WeakPolarHBondContact O-CG 2.98Å; Y188-L192 PolarHBondContact O-N 2.83Å; Y188-Y209 HydrophobicContact CD2-CE2 4.37Å |
| 189 | F | 95.9 | Very high | 93.3 | Very high | 109 Ų | 109 | 55 Ų | 55 | 48% | 0.478 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 176.1 | -72 | -58.1 | 0 | 0 | 0 | 112 | F185 L192 A193 I238 | F185-F189 HydrophobicContact CB-CE2 4.37Å; F185-F189 HydrophobicContact CD1-CE2 4.48Å; F185-F189 WeakPolarHBondContact O-CD2 3.46Å; F185-F189 PolarHBondContact O-N 3.08Å; F189-L192 PolarHBondContact O-N 2.93Å; F189-A193 WeakPolarHBondContact O-CB 3.49Å; F189-A193 PolarHBondContact O-N 3Å; F189-A193 VanDerWaalsContact O-N 3.08Å; F189-I238 HydrophobicContact CB-CD1 4.18Å; F189-I238 HydrophobicContact CB-CG2 3.97Å |
| 190 | M | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 175.3 | -174.5 | 57.2 | 82.4 | 0 | 0 | 111.9 | G186 S187 Y188 L192 A193 E194 I206 W215 P230 G235 A239 | G186-M190 WeakPolarHBondContact O-CB 3.43Å; G186-M190 PolarHBondContact O-N 2.91Å; G186-M190 VanDerWaalsContact O-N 3.09Å; S187-M190 PolarHBondContact O-N 3.49Å; Y188-M190 VanDerWaalsContact C-N 3.32Å; Y188-M190 PolarHBondContact O-N 3.42Å; M190-L192 VanDerWaalsContact C-N 3.32Å; M190-L192 PolarHBondContact O-N 2.93Å; M190-A193 PolarHBondContact O-N 3.35Å; M190-A193 VanDerWaalsContact O-N 3.14Å; M190-E194 PolarHBondContact O-N 3.33Å; M190-E194 HydrophobicContact SD-CG 3.69Å; M190-I206 HydrophobicContact CG-CD1 4.28Å; M190-W215 HydrophobicContact CB-CE3 3.78Å; M190-W215 HydrophobicContact CB-CH2 4.46Å; M190-W215 HydrophobicContact CB-CZ3 3.65Å; M190-W215 HydrophobicContact CE-CD2 4Å; M190-W215 HydrophobicContact CE-CE3 3.97Å; M190-W215 HydrophobicContact CE-CH2 3.23Å; M190-W215 HydrophobicContact CE-CZ2 3.23Å; M190-W215 HydrophobicContact CE-CZ3 3.6Å; M190-W215 HydrophobicContact CG-CD2 4Å; M190-W215 HydrophobicContact CG-CE3 3.58Å; M190-W215 HydrophobicContact CG-CH2 4.43Å; M190-W215 HydrophobicContact CG-CZ3 3.81Å; M190-P230 HydrophobicContact CE-CB 3.81Å; M190-P230 HydrophobicContact CE-CG 3.81Å; M190-P230 HydrophobicContact SD-CB 3.76Å; M190-P230 HydrophobicContact SD-CG 4.4Å; M190-G235 WeakPolarHBondContact CE-O 3.48Å; M190-A239 HydrophobicContact CE-CB 3.81Å |
| 191 | F | 96.2 | Very high | 91.5 | Very high | 45 Ų | 45 | 63.7 Ų | 63.7 | 20% | 0.197 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 175.4 | 173.5 | -109.5 | 0 | 0 | 0 | 111.5 | S187 Y188 A193 E194 K195 S207 Y209 A212 | S187-F191 WeakPolarHBondContact O-CB 3.26Å; S187-F191 PolarHBondContact O-N 3.25Å; Y188-F191 PolarHBondContact O-N 3.46Å; F191-A193 VanDerWaalsContact C-N 3.29Å; F191-A193 PolarHBondContact O-N 2.91Å; F191-E194 PolarHBondContact O-N 2.76Å; F191-K195 HydrophobicContact CD2-CB 4.36Å; F191-K195 HydrophobicContact CE1-CD 4.4Å; F191-K195 HydrophobicContact CE2-CB 4.04Å; F191-K195 HydrophobicContact CZ-CB 4.28Å; F191-K195 HydrophobicContact CZ-CD 4.43Å; F191-K195 WeakPolarHBondContact O-CB 3.34Å; F191-K195 WeakPolarHBondContact O-CG 3.34Å; F191-K195 PolarHBondContact O-N 3.17Å; F191-S207 WeakPolarHBondContact CE2-O 3.09Å; F191-Y209 HydrophobicContact CB-CD2 4.33Å; F191-Y209 HydrophobicContact CG-CD2 4.5Å; F191-A212 HydrophobicContact CB-CB 3.7Å |
| 192 | L | 95.4 | Very high | 90.5 | Very high | 70 Ų | 70 | 66 Ų | 66 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 178.6 | -71.8 | -177.2 | 0 | 0 | 0 | 113.3 | Y188 F189 M190 | Y188-L192 HydrophobicContact CD1-CD1 4.09Å; Y188-L192 HydrophobicContact CE1-CD1 3.46Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.46Å; Y188-L192 HydrophobicContact CE1-CG 4.21Å; Y188-L192 HydrophobicContact CE2-CD1 4.48Å; Y188-L192 HydrophobicContact CE2-CG 4.48Å; Y188-L192 WeakPolarHBondContact O-CG 2.98Å; Y188-L192 PolarHBondContact O-N 2.83Å; F189-L192 PolarHBondContact O-N 2.93Å; M190-L192 VanDerWaalsContact C-N 3.32Å; M190-L192 PolarHBondContact O-N 2.93Å |
| 193 | A | 95 | Very high | 89.6 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 17% | 0.174 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -77.8 | -33.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F189 M190 F191 V234 I238 | F189-A193 WeakPolarHBondContact O-CB 3.49Å; F189-A193 PolarHBondContact O-N 3Å; F189-A193 VanDerWaalsContact O-N 3.08Å; M190-A193 PolarHBondContact O-N 3.35Å; M190-A193 VanDerWaalsContact O-N 3.14Å; F191-A193 VanDerWaalsContact C-N 3.29Å; F191-A193 PolarHBondContact O-N 2.91Å; A193-V234 HydrophobicContact CB-CB 4.35Å; A193-V234 HydrophobicContact CB-CG1 3.98Å; A193-I238 HydrophobicContact CB-CD1 3.69Å |
| 194 | E | 93.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -105.1 | -18 | -171.8 | -65.6 | -66.6 | 150.7 | 0 | 0 | 114.3 | M190 F191 N196 V197 I206 P230 H231 S232 G235 | M190-E194 PolarHBondContact O-N 3.33Å; M190-E194 HydrophobicContact SD-CG 3.69Å; F191-E194 PolarHBondContact O-N 2.76Å; E194-N196 PolarHBondContact O-N 3.26Å; E194-V197 PolarHBondContact O-N 2.89Å; E194-I206 HydrophobicContact CB-CB 4.13Å; E194-I206 HydrophobicContact CB-CD1 4.29Å; E194-I206 HydrophobicContact CG-CD1 4.27Å; E194-P230 HydrophobicContact CG-CB 4.15Å; E194-P230 WeakPolarHBondContact OE1-CA 3.34Å; E194-P230 VanDerWaalsContact OE1-CB 3.28Å; E194-P230 WeakPolarHBondContact OE1-CB 3.33Å; E194-H231 VanDerWaalsContact CD-N 3.29Å; E194-H231 PolarHBondContact OE1-N 3.35Å; E194-H231 VanDerWaalsContact OE1-N 3.09Å; E194-H231 PolarHBondContact OE2-N 3.38Å; E194-S232 WeakPolarHBondContact OE1-CA 3.34Å; E194-S232 VanDerWaalsContact OE1-CB 3.22Å; E194-S232 WeakPolarHBondContact OE1-CB 3.35Å; E194-S232 PolarHBondContact OE1-N 2.79Å; E194-S232 PolarHBondContact OE2-N 3.03Å; E194-G235 WeakPolarHBondContact OE1-CA 3.35Å |
| 195 | K | 90.8 | Very high | 88.2 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -27.5 | -174.2 | 61.8 | 172.9 | -174.1 | 177.8 | 0 | 115.8 | F191 H205 | F191-K195 HydrophobicContact CD2-CB 4.36Å; F191-K195 HydrophobicContact CE1-CD 4.4Å; F191-K195 HydrophobicContact CE2-CB 4.04Å; F191-K195 HydrophobicContact CZ-CB 4.28Å; F191-K195 HydrophobicContact CZ-CD 4.43Å; F191-K195 WeakPolarHBondContact O-CB 3.34Å; F191-K195 WeakPolarHBondContact O-CG 3.34Å; F191-K195 PolarHBondContact O-N 3.17Å; K195-H205 PolarHBondContact O-CE1 3.47Å |
| 196 | N | 89.1 | Confident | 87.9 | Confident | 132 Ų | 132 | 65.8 Ų | 65.8 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 4.1 | -175.5 | -65.3 | -21.7 | 0 | 0 | 0 | 113.2 | E194 | E194-N196 PolarHBondContact O-N 3.26Š|
| 197 | V | 88.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | trans | -81.2 | 124.3 | -175.4 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | E194 I199 H205 H231 | E194-V197 PolarHBondContact O-N 2.89Å; V197-I199 HydrophobicContact CG1-CG1 4.32Å; V197-I199 PolarHBondContact O-N 3.02Å; V197-H205 PolarHBondContact O-CD2 3.39Å; V197-H205 PolarHBondContact O-NE2 3.46Å; V197-H231 HydrophobicContact CG1-CB 3.99Å | ||
| 198 | V | 83 | Confident | 87.5 | Confident | 144 Ų | 144 | 72 Ų | 72 | 87% | 0.873 | 39% | 0.394 | S | S | * | . | trans | -80.6 | 119.6 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 199 | I | 80.4 | Confident | 87.4 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 11% | 0.113 | 39% | 0.387 | C | S | . | . | trans | -109.1 | 146.8 | -178.1 | -56.4 | 170 | 0 | 0 | 0 | 107.8 | V197 Q203 H205 H231 | V197-I199 HydrophobicContact CG1-CG1 4.32Å; V197-I199 PolarHBondContact O-N 3.02Å; I199-Q203 HydrophobicContact CG2-CB 3.74Å; I199-H205 HydrophobicContact CD1-CB 4.26Å; I199-H205 VanDerWaalsContact CD1-CD2 3.41Å; I199-H205 WeakPolarHBondContact CD1-CD2 3.38Å; I199-H231 VanDerWaalsContact CD1-CD2 3.47Å; I199-H231 WeakPolarHBondContact CD1-CD2 3.45Å; I199-H231 HydrophobicContact CG1-CB 4.38Å | ||
| 200 | P | 78.7 | Confident | 87.5 | Confident | 84 Ų | 84 | 68 Ų | 68 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | trans | -58 | 142.5 | 170.3 | 21.1 | -32 | 0 | 0 | 0 | 112.3 | S202 Q203 | P200-S202 PolarHBondContact O-N 3.15Å; P200-Q203 PolarHBondContact O-N 3.23Å; P200-Q203 VanDerWaalsContact O-N 3.14Å | ||
| 201 | D | 73.7 | Confident | 87.4 | Confident | 178 Ų | 178 | 69.7 Ų | 69.7 | 95% | 0.952 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -12.9 | -170.6 | -68 | -30.5 | 0 | 0 | 0 | 116.3 | ||
| 202 | S | 74 | Confident | 87.4 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 76% | 0.762 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -14.1 | -179.6 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | P200 | P200-S202 PolarHBondContact O-N 3.15Š|
| 203 | Q | 76.9 | Confident | 87.4 | Confident | 86 Ų | 86 | 68 Ų | 68 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -115.6 | 144 | -175.3 | -62.9 | -170 | -72.5 | 0 | 0 | 112.3 | I199 P200 H205 H231 | I199-Q203 HydrophobicContact CG2-CB 3.74Å; P200-Q203 PolarHBondContact O-N 3.23Å; P200-Q203 VanDerWaalsContact O-N 3.14Å; Q203-H205 PolarHBondContact O-N 3.16Å; Q203-H231 PolarHBondContact OE1-CE1 3.13Å; Q203-H231 PolarHBondContact OE1-NE2 3.28Å |
| 204 | V | 79.6 | Confident | 87.4 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | trans | -73.3 | 123.2 | -176.7 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | M228 | V204-M228 HydrophobicContact CB-CG 4.38Å; V204-M228 HydrophobicContact CG1-CE 3.81Å; V204-M228 HydrophobicContact CG1-CG 4.35Å | ||
| 205 | H | 83.1 | Confident | 87.5 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 25% | 0.25 | 40% | 0.402 | C | S | . | . | trans | -77.3 | 139.6 | -179.4 | -170.2 | -83.5 | 0 | 0 | 0 | 112.1 | K195 V197 I199 Q203 S207 | K195-H205 PolarHBondContact O-CE1 3.47Å; V197-H205 PolarHBondContact O-CD2 3.39Å; V197-H205 PolarHBondContact O-NE2 3.46Å; I199-H205 HydrophobicContact CD1-CB 4.26Å; I199-H205 VanDerWaalsContact CD1-CD2 3.41Å; I199-H205 WeakPolarHBondContact CD1-CD2 3.38Å; Q203-H205 PolarHBondContact O-N 3.16Å; H205-S207 WeakPolarHBondContact ND1-CA 3.46Å; H205-S207 PolarHBondContact ND1-N 2.86Å; H205-S207 PolarHBondContact O-N 3.25Å | ||
| 206 | I | 90 | Very high | 87.8 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | trans | -79.4 | 78.3 | 170.7 | -57.2 | 178.5 | 0 | 0 | 0 | 108.2 | M190 E194 D211 A212 M228 | M190-I206 HydrophobicContact CG-CD1 4.28Å; E194-I206 HydrophobicContact CB-CB 4.13Å; E194-I206 HydrophobicContact CB-CD1 4.29Å; E194-I206 HydrophobicContact CG-CD1 4.27Å; I206-D211 HydrophobicContact CG2-CB 4.27Å; I206-A212 HydrophobicContact CG2-CB 3.7Å; I206-M228 HydrophobicContact CG1-CB 4.33Å | ||
| 207 | S | 87.4 | Confident | 88.1 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | trans | -91.1 | -33.8 | -171.4 | 70.8 | 0 | 0 | 0 | 0 | 112.9 | F191 H205 D211 | F191-S207 WeakPolarHBondContact CE2-O 3.09Å; H205-S207 WeakPolarHBondContact ND1-CA 3.46Å; H205-S207 PolarHBondContact ND1-N 2.86Å; H205-S207 PolarHBondContact O-N 3.25Å; S207-D211 PolarHBondContact N-OD2 2.9Å; S207-D211 PolarHBondContact OG-OD2 3.02Å; S207-D211 VanDerWaalsContact OG-OD2 3.07Å | ||
| 208 | T | 93.7 | Very high | 88.4 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -114.9 | 158.9 | -179 | 70.5 | 0 | 0 | 0 | 0 | 111.4 | A210 D211 A212 | T208-A210 PolarHBondContact O-N 2.87Å; T208-A210 PolarHBondContact OG1-N 3.05Å; T208-D211 PolarHBondContact N-OD2 2.81Å; T208-D211 WeakPolarHBondContact O-CB 3.32Å; T208-D211 PolarHBondContact O-N 2.9Å; T208-D211 VanDerWaalsContact O-N 3.15Å; T208-D211 PolarHBondContact OG1-N 2.82Å; T208-D211 PolarHBondContact OG1-OD1 3.24Å; T208-D211 PolarHBondContact OG1-OD2 3.08Å; T208-A212 PolarHBondContact O-N 3.4Å |
| 209 | Y | 95.7 | Very high | 89 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -29.4 | 171.8 | 177 | -101.5 | 0 | 0 | 0 | 112.2 | I184 Y188 F191 A212 M213 | I184-Y209 PolarHBondContact O-OH 3.08Å; Y188-Y209 HydrophobicContact CD2-CE2 4.37Å; F191-Y209 HydrophobicContact CB-CD2 4.33Å; F191-Y209 HydrophobicContact CG-CD2 4.5Å; Y209-A212 PolarHBondContact O-N 2.86Å; Y209-M213 WeakPolarHBondContact O-CB 3.42Å; Y209-M213 PolarHBondContact O-N 2.93Å |
| 210 | A | 96 | Very high | 89.7 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 49% | 0.488 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T208 M213 W214 | T208-A210 PolarHBondContact O-N 2.87Å; T208-A210 PolarHBondContact OG1-N 3.05Å; A210-M213 PolarHBondContact O-N 3.44Å; A210-W214 PolarHBondContact O-N 3.25Å |
| 211 | D | 94.9 | Very high | 90.5 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.5 | -55.9 | -35.4 | 0 | 0 | 0 | 110.8 | I206 S207 T208 M213 W214 W215 M228 | I206-D211 HydrophobicContact CG2-CB 4.27Å; S207-D211 PolarHBondContact N-OD2 2.9Å; S207-D211 PolarHBondContact OG-OD2 3.02Å; S207-D211 VanDerWaalsContact OG-OD2 3.07Å; T208-D211 PolarHBondContact N-OD2 2.81Å; T208-D211 WeakPolarHBondContact O-CB 3.32Å; T208-D211 PolarHBondContact O-N 2.9Å; T208-D211 VanDerWaalsContact O-N 3.15Å; T208-D211 PolarHBondContact OG1-N 2.82Å; T208-D211 PolarHBondContact OG1-OD1 3.24Å; T208-D211 PolarHBondContact OG1-OD2 3.08Å; D211-M213 VanDerWaalsContact C-N 3.28Å; D211-M213 PolarHBondContact O-N 2.72Å; D211-W214 WeakPolarHBondContact O-CB 3.46Å; D211-W214 PolarHBondContact O-N 3.28Å; D211-W215 PolarHBondContact O-N 3.4Å; D211-M228 HydrophobicContact CB-CE 3.95Å; D211-M228 HydrophobicContact CB-SD 3.79Å |
| 212 | A | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S187 F191 I206 T208 Y209 W215 G216 | S187-A212 WeakPolarHBondContact O-CB 3.34Å; F191-A212 HydrophobicContact CB-CB 3.7Å; I206-A212 HydrophobicContact CG2-CB 3.7Å; T208-A212 PolarHBondContact O-N 3.4Å; Y209-A212 PolarHBondContact O-N 2.86Å; A212-W215 PolarHBondContact O-N 2.97Å; A212-G216 PolarHBondContact O-N 3.28Å |
| 213 | M | 95.9 | Very high | 92.6 | Very high | 79 Ų | 79 | 52.4 Ų | 52.4 | 39% | 0.389 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 174.7 | -167 | 177.6 | 69.7 | 0 | 0 | 112 | L183 S187 Y209 A210 D211 G216 V217 | L183-M213 HydrophobicContact CD2-CG 4.39Å; L183-M213 HydrophobicContact CG-CG 4.4Å; S187-M213 WeakPolarHBondContact OG-CA 3.25Å; Y209-M213 WeakPolarHBondContact O-CB 3.42Å; Y209-M213 PolarHBondContact O-N 2.93Å; A210-M213 PolarHBondContact O-N 3.44Å; D211-M213 VanDerWaalsContact C-N 3.28Å; D211-M213 PolarHBondContact O-N 2.72Å; M213-G216 PolarHBondContact O-N 2.95Å; M213-V217 WeakPolarHBondContact O-CG2 3.44Å; M213-V217 PolarHBondContact O-N 3.43Å |
| 214 | W | 96 | Very high | 93.4 | Very high | 111 Ų | 111 | 51 Ų | 51 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 172.7 | 172.3 | -110.8 | 0 | 0 | 0 | 111.7 | A210 D211 G216 V217 A218 F225 D227 | A210-W214 PolarHBondContact O-N 3.25Å; D211-W214 WeakPolarHBondContact O-CB 3.46Å; D211-W214 PolarHBondContact O-N 3.28Å; W214-G216 VanDerWaalsContact C-N 3.3Å; W214-G216 PolarHBondContact O-N 3.31Å; W214-V217 PolarHBondContact O-N 3.35Å; W214-A218 WeakPolarHBondContact O-CB 3.44Å; W214-A218 PolarHBondContact O-N 3.05Å; W214-F225 HydrophobicContact CH2-CD2 4.34Å; W214-F225 AromaticContact CH2-CE2 3.88Å; W214-F225 HydrophobicContact CH2-CE2 3.88Å; W214-F225 AromaticContact CZ2-CD2 3.79Å; W214-F225 HydrophobicContact CZ2-CD2 3.79Å; W214-F225 AromaticContact CZ2-CE2 3.79Å; W214-F225 HydrophobicContact CZ2-CE2 3.79Å; W214-D227 PolarHBondContact NE1-OD2 3.04Å |
| 215 | W | 95.5 | Very high | 94 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.7 | -46.5 | 171.6 | 167.1 | 79.6 | 0 | 0 | 0 | 111.7 | M190 D211 A212 V217 A218 T219 F220 M228 A239 | M190-W215 HydrophobicContact CB-CE3 3.78Å; M190-W215 HydrophobicContact CB-CH2 4.46Å; M190-W215 HydrophobicContact CB-CZ3 3.65Å; M190-W215 HydrophobicContact CE-CD2 4Å; M190-W215 HydrophobicContact CE-CE3 3.97Å; M190-W215 HydrophobicContact CE-CH2 3.23Å; M190-W215 HydrophobicContact CE-CZ2 3.23Å; M190-W215 HydrophobicContact CE-CZ3 3.6Å; M190-W215 HydrophobicContact CG-CD2 4Å; M190-W215 HydrophobicContact CG-CE3 3.58Å; M190-W215 HydrophobicContact CG-CH2 4.43Å; M190-W215 HydrophobicContact CG-CZ3 3.81Å; D211-W215 PolarHBondContact O-N 3.4Å; A212-W215 PolarHBondContact O-N 2.97Å; W215-V217 PolarHBondContact O-N 2.79Å; W215-A218 PolarHBondContact O-N 3.07Å; W215-T219 HydrophobicContact CZ2-CG2 4.07Å; W215-T219 PolarHBondContact NE1-OG1 3.04Å; W215-T219 VanDerWaalsContact O-CB 3.24Å; W215-T219 WeakPolarHBondContact O-CB 3.29Å; W215-T219 PolarHBondContact O-N 3.4Å; W215-T219 PolarHBondContact O-OG1 3.22Å; W215-F220 HydrophobicContact CH2-CZ 4.45Å; W215-F220 HydrophobicContact CZ3-CZ 4.34Å; W215-M228 HydrophobicContact CB-CB 4.42Å; W215-M228 VanDerWaalsContact CD1-O 3.31Å; W215-A239 HydrophobicContact CH2-CB 4.18Å; W215-A239 HydrophobicContact CZ2-CB 3.66Å |
| 216 | G | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A212 M213 W214 T219 F220 | A212-G216 PolarHBondContact O-N 3.28Å; M213-G216 PolarHBondContact O-N 2.95Å; W214-G216 VanDerWaalsContact C-N 3.3Å; W214-G216 PolarHBondContact O-N 3.31Å; G216-T219 PolarHBondContact O-N 3.05Å; G216-F220 WeakPolarHBondContact O-CB 3.4Å; G216-F220 WeakPolarHBondContact O-CD2 3.15Å; G216-F220 WeakPolarHBondContact O-CG 3.43Å; G216-F220 PolarHBondContact O-N 3.49Å |
| 217 | V | 95.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 56 Ų | 56 | 26% | 0.255 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 176 | 173 | 0 | 0 | 0 | 0 | 110.9 | L183 M213 W214 W215 T219 F221 | L183-V217 HydrophobicContact CD1-CG2 3.88Å; L183-V217 HydrophobicContact CD2-CG2 3.84Å; M213-V217 WeakPolarHBondContact O-CG2 3.44Å; M213-V217 PolarHBondContact O-N 3.43Å; W214-V217 PolarHBondContact O-N 3.35Å; W215-V217 PolarHBondContact O-N 2.79Å; V217-T219 PolarHBondContact O-N 2.9Å; V217-F221 HydrophobicContact CG1-CD2 3.9Å; V217-F221 HydrophobicContact CG1-CE2 4.24Å; V217-F221 WeakPolarHBondContact O-CB 3.33Å; V217-F221 WeakPolarHBondContact O-CD2 3.41Å; V217-F221 PolarHBondContact O-N 3.33Å |
| 218 | A | 95.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -33.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W214 W215 I223 G224 F225 | W214-A218 WeakPolarHBondContact O-CB 3.44Å; W214-A218 PolarHBondContact O-N 3.05Å; W215-A218 PolarHBondContact O-N 3.07Å; A218-I223 PolarHBondContact O-N 3.32Å; A218-G224 PolarHBondContact O-N 2.88Å; A218-F225 HydrophobicContact CB-CD2 4.15Å |
| 219 | T | 95 | Very high | 94.6 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.8 | -49.5 | -179.2 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | W215 G216 V217 F221 T222 | W215-T219 HydrophobicContact CZ2-CG2 4.07Å; W215-T219 PolarHBondContact NE1-OG1 3.04Å; W215-T219 VanDerWaalsContact O-CB 3.24Å; W215-T219 WeakPolarHBondContact O-CB 3.29Å; W215-T219 PolarHBondContact O-N 3.4Å; W215-T219 PolarHBondContact O-OG1 3.22Å; G216-T219 PolarHBondContact O-N 3.05Å; V217-T219 PolarHBondContact O-N 2.9Å; T219-F221 PolarHBondContact O-N 3.49Å; T219-T222 WeakPolarHBondContact O-CA 3.15Å; T219-T222 PolarHBondContact O-N 3.15Å |
| 220 | F | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72 | -27.9 | -175 | -57.4 | -31.6 | 0 | 0 | 0 | 113.2 | L183 W215 G216 T222 L246 F250 | L183-F220 HydrophobicContact CD1-CD2 3.81Å; L183-F220 HydrophobicContact CD1-CE2 3.98Å; W215-F220 HydrophobicContact CH2-CZ 4.45Å; W215-F220 HydrophobicContact CZ3-CZ 4.34Å; G216-F220 WeakPolarHBondContact O-CB 3.4Å; G216-F220 WeakPolarHBondContact O-CD2 3.15Å; G216-F220 WeakPolarHBondContact O-CG 3.43Å; G216-F220 PolarHBondContact O-N 3.49Å; F220-T222 PolarHBondContact O-N 2.96Å; F220-L246 HydrophobicContact CD1-CB 3.97Å; F220-L246 HydrophobicContact CD1-CD1 4.38Å; F220-L246 HydrophobicContact CD2-CD1 4.25Å; F220-L246 HydrophobicContact CE1-CB 4.1Å; F220-L246 HydrophobicContact CE1-CD1 3.81Å; F220-L246 HydrophobicContact CE2-CD1 3.66Å; F220-L246 HydrophobicContact CG-CB 4.25Å; F220-L246 HydrophobicContact CZ-CB 4.49Å; F220-L246 HydrophobicContact CZ-CD1 3.43Å; F220-L246 VanDerWaalsContact CZ-CD1 3.43Å; F220-F250 HydrophobicContact CB-CD1 4.12Å; F220-F250 HydrophobicContact CB-CD2 3.72Å; F220-F250 HydrophobicContact CB-CE1 4.19Å; F220-F250 HydrophobicContact CB-CE2 3.77Å; F220-F250 HydrophobicContact CB-CG 3.9Å; F220-F250 HydrophobicContact CB-CZ 4.02Å; F220-F250 AromaticContact CD2-CE2 3.93Å; F220-F250 HydrophobicContact CD2-CE2 3.93Å; F220-F250 HydrophobicContact CD2-CZ 4.12Å; F220-F250 HydrophobicContact CG-CD2 4.39Å; F220-F250 HydrophobicContact CG-CE2 4.12Å |
| 221 | F | 95 | Very high | 94.2 | Very high | 101 Ų | 101 | 49.6 Ų | 49.6 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 4.3 | 167.4 | -78 | -74.5 | 0 | 0 | 0 | 113.6 | V217 T219 I223 F250 | V217-F221 HydrophobicContact CG1-CD2 3.9Å; V217-F221 HydrophobicContact CG1-CE2 4.24Å; V217-F221 WeakPolarHBondContact O-CB 3.33Å; V217-F221 WeakPolarHBondContact O-CD2 3.41Å; V217-F221 PolarHBondContact O-N 3.33Å; T219-F221 PolarHBondContact O-N 3.49Å; F221-I223 HydrophobicContact CB-CD1 4.04Å; F221-I223 HydrophobicContact CB-CG1 3.92Å; F221-I223 PolarHBondContact O-N 3.4Å; F221-F250 HydrophobicContact CD1-CD1 4.21Å; F221-F250 HydrophobicContact CD2-CD1 4.01Å; F221-F250 HydrophobicContact CD2-CE1 4.1Å; F221-F250 AromaticContact CE1-CD1 3.91Å; F221-F250 HydrophobicContact CE1-CD1 3.91Å; F221-F250 AromaticContact CE2-CD1 3.7Å; F221-F250 HydrophobicContact CE2-CD1 3.7Å; F221-F250 AromaticContact CE2-CE1 3.58Å; F221-F250 HydrophobicContact CE2-CE1 3.58Å; F221-F250 HydrophobicContact CG-CD1 4.26Å; F221-F250 AromaticContact CZ-CD1 3.65Å; F221-F250 HydrophobicContact CZ-CD1 3.65Å; F221-F250 AromaticContact CZ-CE1 3.84Å; F221-F250 HydrophobicContact CZ-CE1 3.84Å |
| 222 | T | 95.7 | Very high | 94.2 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 54% | 0.54 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 32.3 | 179.5 | 59 | 0 | 0 | 0 | 0 | 113.2 | T219 F220 V247 Q251 | T219-T222 WeakPolarHBondContact O-CA 3.15Å; T219-T222 PolarHBondContact O-N 3.15Å; F220-T222 PolarHBondContact O-N 2.96Å; T222-V247 HydrophobicContact CG2-CG1 3.48Å; T222-V247 VanDerWaalsContact CG2-CG1 3.48Å; T222-V247 HydrophobicContact CG2-CG2 4.22Å; T222-Q251 PolarHBondContact OG1-NE2 3.43Å |
| 223 | I | 95.9 | Very high | 94.1 | Very high | 91 Ų | 91 | 58.8 Ų | 58.8 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | trans | -79.5 | -52.2 | 176.3 | -56 | 172.3 | 0 | 0 | 0 | 109.4 | A218 F221 F225 | A218-I223 PolarHBondContact O-N 3.32Å; F221-I223 HydrophobicContact CB-CD1 4.04Å; F221-I223 HydrophobicContact CB-CG1 3.92Å; F221-I223 PolarHBondContact O-N 3.4Å; I223-F225 HydrophobicContact CB-CE2 4.45Å; I223-F225 HydrophobicContact CD1-CE2 4.5Å; I223-F225 HydrophobicContact CG2-CD1 4.07Å; I223-F225 HydrophobicContact CG2-CD2 3.93Å; I223-F225 HydrophobicContact CG2-CE1 3.72Å; I223-F225 HydrophobicContact CG2-CE2 3.57Å; I223-F225 HydrophobicContact CG2-CG 4.17Å; I223-F225 HydrophobicContact CG2-CZ 3.46Å; I223-F225 VanDerWaalsContact CG2-CZ 3.46Å | ||
| 224 | G | 93.3 | Very high | 94.1 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 58% | 0.577 | 31% | 0.307 | S | S | * | . | trans | 62.9 | 54.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A218 G226 | A218-G224 PolarHBondContact O-N 2.88Å; G224-G226 PolarHBondContact O-N 3.4Å | ||
| 225 | F | 93.5 | Very high | 94.1 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | trans | -58.7 | -32.4 | 178.1 | -68.5 | -62.9 | 0 | 0 | 0 | 113.8 | W214 A218 I223 D227 | W214-F225 HydrophobicContact CH2-CD2 4.34Å; W214-F225 AromaticContact CH2-CE2 3.88Å; W214-F225 HydrophobicContact CH2-CE2 3.88Å; W214-F225 AromaticContact CZ2-CD2 3.79Å; W214-F225 HydrophobicContact CZ2-CD2 3.79Å; W214-F225 AromaticContact CZ2-CE2 3.79Å; W214-F225 HydrophobicContact CZ2-CE2 3.79Å; A218-F225 HydrophobicContact CB-CD2 4.15Å; I223-F225 HydrophobicContact CB-CE2 4.45Å; I223-F225 HydrophobicContact CD1-CE2 4.5Å; I223-F225 HydrophobicContact CG2-CD1 4.07Å; I223-F225 HydrophobicContact CG2-CD2 3.93Å; I223-F225 HydrophobicContact CG2-CE1 3.72Å; I223-F225 HydrophobicContact CG2-CE2 3.57Å; I223-F225 HydrophobicContact CG2-CG 4.17Å; I223-F225 HydrophobicContact CG2-CZ 3.46Å; I223-F225 VanDerWaalsContact CG2-CZ 3.46Å; F225-D227 VanDerWaalsContact C-N 3.31Å | ||
| 226 | G | 91.2 | Very high | 94.1 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | trans | 79.2 | 10.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G224 | G224-G226 PolarHBondContact O-N 3.4Š| ||
| 227 | D | 91.3 | Very high | 94.1 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -72.7 | -36.1 | 175.5 | 58.8 | -30.2 | 0 | 0 | 0 | 112.9 | W214 F225 | W214-D227 PolarHBondContact NE1-OD2 3.04Å; F225-D227 VanDerWaalsContact C-N 3.31Å |
| 228 | M | 90.6 | Very high | 94.1 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -125.1 | 124.4 | 173 | -61.9 | -178.7 | -173.8 | 0 | 0 | 109.7 | V204 I206 D211 W215 | V204-M228 HydrophobicContact CB-CG 4.38Å; V204-M228 HydrophobicContact CG1-CE 3.81Å; V204-M228 HydrophobicContact CG1-CG 4.35Å; I206-M228 HydrophobicContact CG1-CB 4.33Å; D211-M228 HydrophobicContact CB-CE 3.95Å; D211-M228 HydrophobicContact CB-SD 3.79Å; W215-M228 HydrophobicContact CB-CB 4.42Å; W215-M228 VanDerWaalsContact CD1-O 3.31Å |
| 229 | V | 92.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | trans | -138.9 | 140.4 | -177 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | H231 | V229-H231 PolarHBondContact O-CD2 3.41Å; V229-H231 PolarHBondContact O-N 3.36Å; V229-H231 PolarHBondContact O-NE2 3.46Å | ||
| 230 | P | 93.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 5% | 0.045 | 34% | 0.341 | C | S | . | . | trans | -64.6 | 129.4 | 173.2 | 25.4 | -34.8 | 0 | 0 | 0 | 111.7 | M190 E194 G235 K236 A239 | M190-P230 HydrophobicContact CE-CB 3.81Å; M190-P230 HydrophobicContact CE-CG 3.81Å; M190-P230 HydrophobicContact SD-CB 3.76Å; M190-P230 HydrophobicContact SD-CG 4.4Å; E194-P230 HydrophobicContact CG-CB 4.15Å; E194-P230 WeakPolarHBondContact OE1-CA 3.34Å; E194-P230 VanDerWaalsContact OE1-CB 3.28Å; E194-P230 WeakPolarHBondContact OE1-CB 3.33Å; P230-G235 VanDerWaalsContact CB-C 3.46Å; P230-K236 HydrophobicContact CB-CG 4.28Å; P230-K236 HydrophobicContact CG-CG 4.13Å; P230-K236 WeakPolarHBondContact O-CE 3.35Å; P230-K236 WeakPolarHBondContact O-CG 3.47Å; P230-A239 HydrophobicContact CG-CB 4.02Å | ||
| 231 | H | 91.7 | Very high | 94.1 | Very high | 55 Ų | 55 | 67 Ų | 67 | 26% | 0.255 | 37% | 0.37 | S | S | . | . | trans | -96.4 | -35.5 | 177.6 | -75.3 | -78.1 | 0 | 0 | 0 | 112.1 | E194 V197 I199 Q203 V229 K236 | E194-H231 VanDerWaalsContact CD-N 3.29Å; E194-H231 PolarHBondContact OE1-N 3.35Å; E194-H231 VanDerWaalsContact OE1-N 3.09Å; E194-H231 PolarHBondContact OE2-N 3.38Å; V197-H231 HydrophobicContact CG1-CB 3.99Å; I199-H231 VanDerWaalsContact CD1-CD2 3.47Å; I199-H231 WeakPolarHBondContact CD1-CD2 3.45Å; I199-H231 HydrophobicContact CG1-CB 4.38Å; Q203-H231 PolarHBondContact OE1-CE1 3.13Å; Q203-H231 PolarHBondContact OE1-NE2 3.28Å; V229-H231 PolarHBondContact O-CD2 3.41Å; V229-H231 PolarHBondContact O-N 3.36Å; V229-H231 PolarHBondContact O-NE2 3.46Å; H231-K236 PolarHBondContact O-NZ 3.22Å | ||
| 232 | S | 93.7 | Very high | 94.1 | Very high | 26 Ų | 26 | 62.6 Ų | 62.6 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -66.4 | 147.3 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | E194 V234 G235 K236 | E194-S232 WeakPolarHBondContact OE1-CA 3.34Å; E194-S232 VanDerWaalsContact OE1-CB 3.22Å; E194-S232 WeakPolarHBondContact OE1-CB 3.35Å; E194-S232 PolarHBondContact OE1-N 2.79Å; E194-S232 PolarHBondContact OE2-N 3.03Å; S232-V234 PolarHBondContact O-N 3.21Å; S232-V234 PolarHBondContact OG-N 3.29Å; S232-G235 PolarHBondContact O-N 3.4Å; S232-K236 WeakPolarHBondContact O-CG 3.18Å; S232-K236 PolarHBondContact O-N 2.71Å |
| 233 | W | 94.4 | Very high | 93.9 | Very high | 203 Ų | 203 | 60.1 Ų | 60.1 | 77% | 0.769 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.6 | -33.6 | 172.2 | 72.2 | -90.8 | 0 | 0 | 0 | 111.4 | A237 | W233-A237 WeakPolarHBondContact O-CB 3.13Å; W233-A237 PolarHBondContact O-N 3.16Å |
| 234 | V | 95.6 | Very high | 93.8 | Very high | 51 Ų | 51 | 63 Ų | 63 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | A193 S232 K236 A237 I238 | A193-V234 HydrophobicContact CB-CB 4.35Å; A193-V234 HydrophobicContact CB-CG1 3.98Å; S232-V234 PolarHBondContact O-N 3.21Å; S232-V234 PolarHBondContact OG-N 3.29Å; V234-K236 PolarHBondContact O-N 3.32Å; V234-A237 PolarHBondContact O-N 3.35Å; V234-I238 HydrophobicContact CG1-CD1 3.87Å; V234-I238 WeakPolarHBondContact O-CG1 3.18Å; V234-I238 PolarHBondContact O-N 2.96Å |
| 235 | G | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M190 E194 P230 S232 A237 I238 A239 | M190-G235 WeakPolarHBondContact CE-O 3.48Å; E194-G235 WeakPolarHBondContact OE1-CA 3.35Å; P230-G235 VanDerWaalsContact CB-C 3.46Å; S232-G235 PolarHBondContact O-N 3.4Å; G235-A237 PolarHBondContact O-N 3.47Å; G235-I238 PolarHBondContact O-N 3.21Å; G235-A239 WeakPolarHBondContact O-CB 3Å; G235-A239 PolarHBondContact O-N 2.78Å |
| 236 | K | 95.6 | Very high | 93.7 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 47% | 0.47 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 174.6 | -71.7 | 172.5 | -180 | 167.6 | 0 | 112.4 | P230 H231 S232 V234 A239 C240 | P230-K236 HydrophobicContact CB-CG 4.28Å; P230-K236 HydrophobicContact CG-CG 4.13Å; P230-K236 WeakPolarHBondContact O-CE 3.35Å; P230-K236 WeakPolarHBondContact O-CG 3.47Å; H231-K236 PolarHBondContact O-NZ 3.22Å; S232-K236 WeakPolarHBondContact O-CG 3.18Å; S232-K236 PolarHBondContact O-N 2.71Å; V234-K236 PolarHBondContact O-N 3.32Å; K236-A239 WeakPolarHBondContact O-CB 3.49Å; K236-A239 PolarHBondContact O-N 2.98Å; K236-C240 PolarHBondContact O-N 3.23Å; K236-C240 PolarHBondContact O-SG 3.19Å |
| 237 | A | 96.9 | Very high | 93.9 | Very high | 41 Ų | 41 | 57 Ų | 57 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | W233 V234 G235 A239 C240 I241 | W233-A237 WeakPolarHBondContact O-CB 3.13Å; W233-A237 PolarHBondContact O-N 3.16Å; V234-A237 PolarHBondContact O-N 3.35Å; G235-A237 PolarHBondContact O-N 3.47Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.3Å; A237-C240 PolarHBondContact O-N 3.48Å; A237-I241 WeakPolarHBondContact O-CG1 3.44Å; A237-I241 PolarHBondContact O-N 3.45Å |
| 238 | I | 95.7 | Very high | 94 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 19% | 0.185 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 175.1 | -68.6 | 162.1 | 0 | 0 | 0 | 110.6 | F189 A193 V234 G235 I241 S242 | F189-I238 HydrophobicContact CB-CD1 4.18Å; F189-I238 HydrophobicContact CB-CG2 3.97Å; A193-I238 HydrophobicContact CB-CD1 3.69Å; V234-I238 HydrophobicContact CG1-CD1 3.87Å; V234-I238 WeakPolarHBondContact O-CG1 3.18Å; V234-I238 PolarHBondContact O-N 2.96Å; G235-I238 PolarHBondContact O-N 3.21Å; I238-I241 PolarHBondContact O-N 2.89Å; I238-S242 WeakPolarHBondContact O-CB 3.17Å; I238-S242 PolarHBondContact O-N 2.82Å; I238-S242 PolarHBondContact O-OG 3.21Å |
| 239 | A | 95.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 13% | 0.132 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M190 W215 P230 G235 K236 A237 S242 A243 | M190-A239 HydrophobicContact CE-CB 3.81Å; W215-A239 HydrophobicContact CH2-CB 4.18Å; W215-A239 HydrophobicContact CZ2-CB 3.66Å; P230-A239 HydrophobicContact CG-CB 4.02Å; G235-A239 WeakPolarHBondContact O-CB 3Å; G235-A239 PolarHBondContact O-N 2.78Å; K236-A239 WeakPolarHBondContact O-CB 3.49Å; K236-A239 PolarHBondContact O-N 2.98Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.3Å; A239-S242 WeakPolarHBondContact CA-OG 3.27Å; A239-S242 PolarHBondContact O-OG 2.97Å; A239-S242 VanDerWaalsContact O-OG 3.09Å; A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 3.3Å |
| 240 | C | 95 | Very high | 94.1 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.6 | -46.6 | 178.5 | -68 | 0 | 0 | 0 | 0 | 112.2 | K236 A237 A243 L244 | K236-C240 PolarHBondContact O-N 3.23Å; K236-C240 PolarHBondContact O-SG 3.19Å; A237-C240 PolarHBondContact O-N 3.48Å; C240-A243 PolarHBondContact O-N 3.05Å; C240-L244 WeakPolarHBondContact O-CG 3.17Å; C240-L244 PolarHBondContact O-N 3.29Å; C240-L244 VanDerWaalsContact O-N 3.13Å |
| 241 | I | 94.9 | Very high | 94.1 | Very high | 120 Ų | 120 | 61.1 Ų | 61.1 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.6 | -47.4 | -179.8 | -66 | 167.1 | 0 | 0 | 0 | 110.6 | A237 I238 A243 L244 A245 | A237-I241 WeakPolarHBondContact O-CG1 3.44Å; A237-I241 PolarHBondContact O-N 3.45Å; I238-I241 PolarHBondContact O-N 2.89Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.41Å; I241-L244 PolarHBondContact O-N 3.22Å; I241-A245 WeakPolarHBondContact O-CB 3.41Å; I241-A245 PolarHBondContact O-N 3.1Å |
| 242 | S | 93.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 61.9 Ų | 61.9 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 179.1 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | I238 A239 A245 L246 | I238-S242 WeakPolarHBondContact O-CB 3.17Å; I238-S242 PolarHBondContact O-N 2.82Å; I238-S242 PolarHBondContact O-OG 3.21Å; A239-S242 WeakPolarHBondContact CA-OG 3.27Å; A239-S242 PolarHBondContact O-OG 2.97Å; A239-S242 VanDerWaalsContact O-OG 3.09Å; S242-A245 PolarHBondContact O-N 3.05Å; S242-L246 WeakPolarHBondContact O-CA 3.49Å; S242-L246 WeakPolarHBondContact O-CB 3.49Å; S242-L246 WeakPolarHBondContact O-CG 3.35Å; S242-L246 PolarHBondContact O-N 3.04Å |
| 243 | A | 92.8 | Very high | 94 | Very high | 35 Ų | 35 | 62 Ų | 62 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A239 C240 I241 A245 V247 | A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 3.3Å; C240-A243 PolarHBondContact O-N 3.05Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.41Å; A243-A245 VanDerWaalsContact C-N 3.35Å; A243-A245 PolarHBondContact O-N 3.27Å; A243-V247 HydrophobicContact CB-CG2 4.35Å; A243-V247 WeakPolarHBondContact O-CB 3.43Å; A243-V247 WeakPolarHBondContact O-CG2 3.45Å; A243-V247 PolarHBondContact O-N 2.94Å |
| 244 | L | 92.4 | Very high | 93.8 | Very high | 153 Ų | 153 | 55.5 Ų | 55.5 | 80% | 0.801 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 177.7 | -70.8 | 173.4 | 0 | 0 | 0 | 112.4 | C240 I241 | C240-L244 WeakPolarHBondContact O-CG 3.17Å; C240-L244 PolarHBondContact O-N 3.29Å; C240-L244 VanDerWaalsContact O-N 3.13Å; I241-L244 PolarHBondContact O-N 3.22Å |
| 245 | A | 92.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -80 | -45.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I241 S242 A243 F249 | I241-A245 WeakPolarHBondContact O-CB 3.41Å; I241-A245 PolarHBondContact O-N 3.1Å; S242-A245 PolarHBondContact O-N 3.05Å; A243-A245 VanDerWaalsContact C-N 3.35Å; A243-A245 PolarHBondContact O-N 3.27Å; A245-F249 WeakPolarHBondContact O-CD2 3.14Å; A245-F249 WeakPolarHBondContact O-CE2 3.13Å |
| 246 | L | 94.3 | Very high | 93.3 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -95.7 | -32.4 | -164.7 | -61 | 178.9 | 0 | 0 | 0 | 113.7 | G182 F220 S242 A248 F249 F250 | G182-L246 WeakPolarHBondContact O-CD1 3.24Å; F220-L246 HydrophobicContact CD1-CB 3.97Å; F220-L246 HydrophobicContact CD1-CD1 4.38Å; F220-L246 HydrophobicContact CD2-CD1 4.25Å; F220-L246 HydrophobicContact CE1-CB 4.1Å; F220-L246 HydrophobicContact CE1-CD1 3.81Å; F220-L246 HydrophobicContact CE2-CD1 3.66Å; F220-L246 HydrophobicContact CG-CB 4.25Å; F220-L246 HydrophobicContact CZ-CB 4.49Å; F220-L246 HydrophobicContact CZ-CD1 3.43Å; F220-L246 VanDerWaalsContact CZ-CD1 3.43Å; S242-L246 WeakPolarHBondContact O-CA 3.49Å; S242-L246 WeakPolarHBondContact O-CB 3.49Å; S242-L246 WeakPolarHBondContact O-CG 3.35Å; S242-L246 PolarHBondContact O-N 3.04Å; L246-A248 PolarHBondContact O-N 2.7Å; L246-F249 PolarHBondContact O-N 2.92Å; L246-F250 WeakPolarHBondContact O-CD2 3.27Å; L246-F250 PolarHBondContact O-N 3.29Å; L246-F250 VanDerWaalsContact O-N 3.16Å |
| 247 | V | 94.7 | Very high | 92.9 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.8 | -40.4 | -178.1 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | T222 A243 F249 F250 Q251 | T222-V247 HydrophobicContact CG2-CG1 3.48Å; T222-V247 VanDerWaalsContact CG2-CG1 3.48Å; T222-V247 HydrophobicContact CG2-CG2 4.22Å; A243-V247 HydrophobicContact CB-CG2 4.35Å; A243-V247 WeakPolarHBondContact O-CB 3.43Å; A243-V247 WeakPolarHBondContact O-CG2 3.45Å; A243-V247 PolarHBondContact O-N 2.94Å; V247-F249 PolarHBondContact O-N 3.16Å; V247-F250 PolarHBondContact O-N 3.43Å; V247-Q251 HydrophobicContact CG1-CG 4.49Å; V247-Q251 WeakPolarHBondContact O-CG 3.5Å; V247-Q251 PolarHBondContact O-N 3.34Å |
| 248 | A | 93 | Very high | 92.5 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 51% | 0.512 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L246 F250 Q251 L252 | L246-A248 PolarHBondContact O-N 2.7Å; A248-F250 PolarHBondContact O-N 3.48Å; A248-Q251 PolarHBondContact O-N 2.86Å; A248-L252 WeakPolarHBondContact O-CG 3.3Å; A248-L252 PolarHBondContact O-N 3.45Å |
| 249 | F | 92.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 179.7 | -71.6 | -72.5 | 0 | 0 | 0 | 112.7 | I178 S179 A245 L246 V247 Q251 L252 P253 | I178-F249 HydrophobicContact CB-CD1 4.39Å; I178-F249 HydrophobicContact CD1-CE1 4.29Å; I178-F249 HydrophobicContact CG2-CB 4.4Å; I178-F249 HydrophobicContact CG2-CD1 3.7Å; I178-F249 HydrophobicContact CG2-CD2 4.11Å; I178-F249 HydrophobicContact CG2-CE1 3.93Å; I178-F249 HydrophobicContact CG2-CE2 4.32Å; I178-F249 HydrophobicContact CG2-CG 3.81Å; I178-F249 HydrophobicContact CG2-CZ 4.24Å; S179-F249 PolarHBondContact OG-O 2.76Å; A245-F249 WeakPolarHBondContact O-CD2 3.14Å; A245-F249 WeakPolarHBondContact O-CE2 3.13Å; L246-F249 PolarHBondContact O-N 2.92Å; V247-F249 PolarHBondContact O-N 3.16Å; F249-Q251 PolarHBondContact O-N 2.87Å; F249-L252 HydrophobicContact CD1-CD1 3.73Å; F249-L252 HydrophobicContact CE1-CD1 4.32Å; F249-L252 PolarHBondContact O-N 3.5Å; F249-P253 WeakPolarHBondContact O-CD 3.2Å |
| 250 | F | 93.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 10% | 0.101 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.8 | -26.4 | 176.2 | -87.2 | -101.7 | 0 | 0 | 0 | 113 | S179 L183 F220 F221 L246 V247 A248 P253 | S179-F250 WeakPolarHBondContact O-CE2 3.47Å; S179-F250 VanDerWaalsContact O-CZ 3.3Å; S179-F250 WeakPolarHBondContact O-CZ 3.2Å; L183-F250 HydrophobicContact CB-CZ 4.13Å; F220-F250 HydrophobicContact CB-CD1 4.12Å; F220-F250 HydrophobicContact CB-CD2 3.72Å; F220-F250 HydrophobicContact CB-CE1 4.19Å; F220-F250 HydrophobicContact CB-CE2 3.77Å; F220-F250 HydrophobicContact CB-CG 3.9Å; F220-F250 HydrophobicContact CB-CZ 4.02Å; F220-F250 AromaticContact CD2-CE2 3.93Å; F220-F250 HydrophobicContact CD2-CE2 3.93Å; F220-F250 HydrophobicContact CD2-CZ 4.12Å; F220-F250 HydrophobicContact CG-CD2 4.39Å; F220-F250 HydrophobicContact CG-CE2 4.12Å; F221-F250 HydrophobicContact CD1-CD1 4.21Å; F221-F250 HydrophobicContact CD2-CD1 4.01Å; F221-F250 HydrophobicContact CD2-CE1 4.1Å; F221-F250 AromaticContact CE1-CD1 3.91Å; F221-F250 HydrophobicContact CE1-CD1 3.91Å; F221-F250 AromaticContact CE2-CD1 3.7Å; F221-F250 HydrophobicContact CE2-CD1 3.7Å; F221-F250 AromaticContact CE2-CE1 3.58Å; F221-F250 HydrophobicContact CE2-CE1 3.58Å; F221-F250 HydrophobicContact CG-CD1 4.26Å; F221-F250 AromaticContact CZ-CD1 3.65Å; F221-F250 HydrophobicContact CZ-CD1 3.65Å; F221-F250 AromaticContact CZ-CE1 3.84Å; F221-F250 HydrophobicContact CZ-CE1 3.84Å; L246-F250 WeakPolarHBondContact O-CD2 3.27Å; L246-F250 PolarHBondContact O-N 3.29Å; L246-F250 VanDerWaalsContact O-N 3.16Å; V247-F250 PolarHBondContact O-N 3.43Å; A248-F250 PolarHBondContact O-N 3.48Å; F250-P253 WeakPolarHBondContact O-CD 3.5Å |
| 251 | Q | 92.8 | Very high | 91 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -87.7 | -18.9 | 178.1 | -61.7 | -60.4 | -17.7 | 0 | 0 | 113.9 | T222 V247 A248 F249 P253 A254 G255 | T222-Q251 PolarHBondContact OG1-NE2 3.43Å; V247-Q251 HydrophobicContact CG1-CG 4.49Å; V247-Q251 WeakPolarHBondContact O-CG 3.5Å; V247-Q251 PolarHBondContact O-N 3.34Å; A248-Q251 PolarHBondContact O-N 2.86Å; F249-Q251 PolarHBondContact O-N 2.87Å; Q251-P253 VanDerWaalsContact C-CD 3.47Å; Q251-A254 PolarHBondContact O-N 2.69Å; Q251-G255 PolarHBondContact O-N 3.32Å |
| 252 | L | 92.7 | Very high | 90.5 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 37% | 0.366 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.3 | -40.6 | -179 | -72.9 | 175.5 | 0 | 0 | 0 | 114.8 | T175 A248 F249 A254 G255 I256 | T175-L252 HydrophobicContact CG2-CB 3.82Å; T175-L252 HydrophobicContact CG2-CD1 3.63Å; T175-L252 HydrophobicContact CG2-CG 4.38Å; A248-L252 WeakPolarHBondContact O-CG 3.3Å; A248-L252 PolarHBondContact O-N 3.45Å; F249-L252 HydrophobicContact CD1-CD1 3.73Å; F249-L252 HydrophobicContact CE1-CD1 4.32Å; F249-L252 PolarHBondContact O-N 3.5Å; L252-A254 VanDerWaalsContact C-N 3.27Å; L252-A254 PolarHBondContact O-N 3.04Å; L252-G255 PolarHBondContact O-N 2.95Å; L252-G255 VanDerWaalsContact O-N 3.08Å; L252-I256 HydrophobicContact CB-CD1 4.33Å; L252-I256 WeakPolarHBondContact O-CG1 3.17Å; L252-I256 PolarHBondContact O-N 3.22Å |
| 253 | P | 89.9 | Confident | 90 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -52.7 | -42.3 | 177.7 | -32 | 38.6 | 0 | 0 | 0 | 113.8 | L172 F249 F250 Q251 L257 | L172-P253 HydrophobicContact CD1-CB 3.65Å; L172-P253 HydrophobicContact CD1-CG 4.11Å; F249-P253 WeakPolarHBondContact O-CD 3.2Å; F250-P253 WeakPolarHBondContact O-CD 3.5Å; Q251-P253 VanDerWaalsContact C-CD 3.47Å; P253-L257 WeakPolarHBondContact O-CB 3.22Å; P253-L257 VanDerWaalsContact O-CG 3.25Å; P253-L257 WeakPolarHBondContact O-CG 3.35Å; P253-L257 PolarHBondContact O-N 3.1Å |
| 254 | A | 89.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q251 L252 G258 | Q251-A254 PolarHBondContact O-N 2.69Å; L252-A254 VanDerWaalsContact C-N 3.27Å; L252-A254 PolarHBondContact O-N 3.04Å; A254-G258 PolarHBondContact O-N 2.86Å |
| 255 | G | 90.6 | Very high | 88.7 | Confident | 46 Ų | 46 | 55 Ų | 55 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q251 L252 G258 S259 | Q251-G255 PolarHBondContact O-N 3.32Å; L252-G255 PolarHBondContact O-N 2.95Å; L252-G255 VanDerWaalsContact O-N 3.08Å; G255-G258 PolarHBondContact O-N 3.19Å; G255-S259 WeakPolarHBondContact O-CB 3.17Å; G255-S259 PolarHBondContact O-N 3.5Å; G255-S259 PolarHBondContact O-OG 2.97Å |
| 256 | I | 89.8 | Confident | 88 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 176.6 | -66.4 | 167.7 | 0 | 0 | 0 | 110.6 | E171 T175 L252 S259 G260 | E171-I256 HydrophobicContact CB-CD1 4.36Å; T175-I256 HydrophobicContact CG2-CD1 3.69Å; L252-I256 HydrophobicContact CB-CD1 4.33Å; L252-I256 WeakPolarHBondContact O-CG1 3.17Å; L252-I256 PolarHBondContact O-N 3.22Å; I256-S259 WeakPolarHBondContact CA-OG 3.38Å; I256-S259 PolarHBondContact O-OG 3.41Å; I256-S259 VanDerWaalsContact O-OG 3.05Å; I256-G260 PolarHBondContact O-N 3.43Å |
| 257 | L | 87.5 | Confident | 87 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 32% | 0.319 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.4 | -71.7 | 172.8 | 0 | 0 | 0 | 111.3 | P253 G260 F261 | P253-L257 WeakPolarHBondContact O-CB 3.22Å; P253-L257 VanDerWaalsContact O-CG 3.25Å; P253-L257 WeakPolarHBondContact O-CG 3.35Å; P253-L257 PolarHBondContact O-N 3.1Å; L257-G260 PolarHBondContact O-N 3.24Å; L257-F261 HydrophobicContact CB-CE2 4.27Å; L257-F261 WeakPolarHBondContact O-CD2 3.4Å; L257-F261 WeakPolarHBondContact O-CG 3.31Å; L257-F261 PolarHBondContact O-N 2.95Å |
| 258 | G | 87.7 | Confident | 85.9 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.6 | -50 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A254 G255 F261 A262 | A254-G258 PolarHBondContact O-N 2.86Å; G255-G258 PolarHBondContact O-N 3.19Å; G258-F261 PolarHBondContact O-N 3.16Å; G258-A262 PolarHBondContact O-N 2.85Å |
| 259 | S | 89 | Confident | 84.7 | Confident | 64 Ų | 64 | 72 Ų | 72 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.6 | 56 | 0 | 0 | 0 | 0 | 112.4 | G255 I256 F261 A262 L263 | G255-S259 WeakPolarHBondContact O-CB 3.17Å; G255-S259 PolarHBondContact O-N 3.5Å; G255-S259 PolarHBondContact O-OG 2.97Å; I256-S259 WeakPolarHBondContact CA-OG 3.38Å; I256-S259 PolarHBondContact O-OG 3.41Å; I256-S259 VanDerWaalsContact O-OG 3.05Å; S259-F261 PolarHBondContact O-N 3.36Å; S259-A262 PolarHBondContact O-N 3.42Å; S259-L263 WeakPolarHBondContact O-CG 3.23Å; S259-L263 PolarHBondContact O-N 3.3Å |
| 260 | G | 84.6 | Confident | 83.4 | Confident | 15 Ų | 15 | 78.5 Ų | 78.5 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L166 I256 L257 K264 | L166-G260 VanDerWaalsContact CD2-C 3.44Å; I256-G260 PolarHBondContact O-N 3.43Å; L257-G260 PolarHBondContact O-N 3.24Å; G260-K264 WeakPolarHBondContact O-CB 3.22Å; G260-K264 PolarHBondContact O-N 3.28Å; G260-K264 VanDerWaalsContact O-N 3.12Å |
| 261 | F | 82.5 | Confident | 82 | Confident | 92 Ų | 92 | 80.6 Ų | 80.6 | 40% | 0.404 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 173.4 | -73.5 | -58.3 | 0 | 0 | 0 | 112 | L163 L166 L257 G258 S259 L263 K264 V265 | L163-F261 HydrophobicContact CD1-CE1 4.17Å; L163-F261 HydrophobicContact CD1-CZ 3.63Å; L166-F261 HydrophobicContact CD1-CD1 4.29Å; L166-F261 HydrophobicContact CD1-CE1 3.82Å; L166-F261 HydrophobicContact CD1-CZ 4.26Å; L257-F261 HydrophobicContact CB-CE2 4.27Å; L257-F261 WeakPolarHBondContact O-CD2 3.4Å; L257-F261 WeakPolarHBondContact O-CG 3.31Å; L257-F261 PolarHBondContact O-N 2.95Å; G258-F261 PolarHBondContact O-N 3.16Å; S259-F261 PolarHBondContact O-N 3.36Å; F261-L263 PolarHBondContact O-N 3.01Å; F261-K264 PolarHBondContact O-N 2.96Å; F261-V265 WeakPolarHBondContact O-CG2 3.31Å; F261-V265 PolarHBondContact O-N 3.47Å |
| 262 | A | 84.2 | Confident | 80 | Confident | 48 Ų | 48 | 85.2 Ų | 85.2 | 40% | 0.397 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.6 | -49 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G258 S259 K264 V265 H266 | G258-A262 PolarHBondContact O-N 2.85Å; S259-A262 PolarHBondContact O-N 3.42Å; A262-K264 VanDerWaalsContact C-N 3.32Å; A262-K264 PolarHBondContact O-N 3.48Å; A262-V265 PolarHBondContact O-N 2.84Å; A262-H266 PolarHBondContact O-CD2 2.91Å; A262-H266 PolarHBondContact O-N 3.5Å |
| 263 | L | 82.7 | Confident | 78.5 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 58% | 0.576 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.1 | -41.5 | 176.4 | -73.4 | 171.4 | 0 | 0 | 0 | 112.2 | S259 F261 V265 H266 Q267 | S259-L263 WeakPolarHBondContact O-CG 3.23Å; S259-L263 PolarHBondContact O-N 3.3Å; F261-L263 PolarHBondContact O-N 3.01Å; L263-V265 PolarHBondContact O-N 3.09Å; L263-H266 PolarHBondContact O-N 3.44Å; L263-Q267 WeakPolarHBondContact O-CB 3.29Å; L263-Q267 VanDerWaalsContact O-CG 3.31Å; L263-Q267 WeakPolarHBondContact O-CG 3.38Å; L263-Q267 PolarHBondContact O-N 3.44Å |
| 264 | K | 77.8 | Confident | 77.5 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 26% | 0.261 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 178.5 | -167.8 | 171.3 | -164.7 | 135.8 | 0 | 112.6 | A162 G260 F261 A262 Q267 K268 | A162-K264 VanDerWaalsContact CA-NZ 3.28Å; A162-K264 HydrophobicContact CB-CD 4.42Å; A162-K264 PolarHBondContact O-NZ 3.48Å; G260-K264 WeakPolarHBondContact O-CB 3.22Å; G260-K264 PolarHBondContact O-N 3.28Å; G260-K264 VanDerWaalsContact O-N 3.12Å; F261-K264 PolarHBondContact O-N 2.96Å; A262-K264 VanDerWaalsContact C-N 3.32Å; A262-K264 PolarHBondContact O-N 3.48Å; K264-Q267 PolarHBondContact O-N 3.17Å; K264-K268 PolarHBondContact O-N 2.75Å; K264-K268 VanDerWaalsContact O-N 3.08Å |
| 265 | V | 80.1 | Confident | 76.7 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | F261 A262 L263 Q267 K268 H269 | F261-V265 WeakPolarHBondContact O-CG2 3.31Å; F261-V265 PolarHBondContact O-N 3.47Å; A262-V265 PolarHBondContact O-N 2.84Å; L263-V265 PolarHBondContact O-N 3.09Å; V265-Q267 PolarHBondContact O-N 3.42Å; V265-K268 WeakPolarHBondContact O-CB 3.4Å; V265-K268 PolarHBondContact O-N 3.12Å; V265-K268 VanDerWaalsContact O-N 3.16Å; V265-H269 PolarHBondContact O-CD2 3.32Å; V265-H269 PolarHBondContact O-N 3.21Å |
| 266 | H | 78 | Confident | 75.9 | Confident | 129 Ų | 129 | 95.5 Ų | 95.5 | 60% | 0.597 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.5 | -41.3 | 175.7 | -75.7 | -65.7 | 0 | 0 | 0 | 113 | A262 L263 K268 H269 R270 | A262-H266 PolarHBondContact O-CD2 2.91Å; A262-H266 PolarHBondContact O-N 3.5Å; L263-H266 PolarHBondContact O-N 3.44Å; H266-K268 VanDerWaalsContact C-N 3.32Å; H266-K268 PolarHBondContact O-N 2.7Å; H266-H269 PolarHBondContact O-N 2.85Å; H266-R270 PolarHBondContact O-N 2.87Å |
| 267 | Q | 74 | Confident | 75.7 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 175.5 | -75.8 | 175.6 | -9.1 | 0 | 0 | 112.2 | L263 K264 V265 H269 R270 Q271 L386 | L263-Q267 WeakPolarHBondContact O-CB 3.29Å; L263-Q267 VanDerWaalsContact O-CG 3.31Å; L263-Q267 WeakPolarHBondContact O-CG 3.38Å; L263-Q267 PolarHBondContact O-N 3.44Å; K264-Q267 PolarHBondContact O-N 3.17Å; V265-Q267 PolarHBondContact O-N 3.42Å; Q267-H269 VanDerWaalsContact C-N 3.28Å; Q267-H269 PolarHBondContact O-N 3.2Å; Q267-R270 WeakPolarHBondContact O-CA 3.43Å; Q267-R270 WeakPolarHBondContact O-CB 3.39Å; Q267-R270 PolarHBondContact O-N 3.11Å; Q267-Q271 PolarHBondContact O-N 3.07Å; Q267-L386 HydrophobicContact CB-CD1 3.98Å; Q267-L386 HydrophobicContact CB-CD2 4.33Å; Q267-L386 HydrophobicContact CG-CD1 4.02Å |
| 268 | K | 70 | Confident | 75.6 | Confident | 166 Ų | 166 | 101 Ų | 101 | 72% | 0.722 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.9 | -35.9 | 177 | -166.3 | 179.5 | 179.9 | -174.1 | 0 | 112 | K264 V265 H266 R270 Q271 | K264-K268 PolarHBondContact O-N 2.75Å; K264-K268 VanDerWaalsContact O-N 3.08Å; V265-K268 WeakPolarHBondContact O-CB 3.4Å; V265-K268 PolarHBondContact O-N 3.12Å; V265-K268 VanDerWaalsContact O-N 3.16Å; H266-K268 VanDerWaalsContact C-N 3.32Å; H266-K268 PolarHBondContact O-N 2.7Å; K268-R270 VanDerWaalsContact C-N 3.27Å; K268-R270 PolarHBondContact O-N 3.42Å; K268-Q271 WeakPolarHBondContact O-CB 3.17Å; K268-Q271 PolarHBondContact O-N 3.03Å |
| 269 | H | 68.9 | Low | 75.7 | Confident | 131 Ų | 131 | 102.8 Ų | 102.8 | 61% | 0.606 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -26.7 | 173.3 | -73.8 | -77.9 | 0 | 0 | 0 | 113.1 | V265 H266 Q267 | V265-H269 PolarHBondContact O-CD2 3.32Å; V265-H269 PolarHBondContact O-N 3.21Å; H266-H269 PolarHBondContact O-N 2.85Å; Q267-H269 VanDerWaalsContact C-N 3.28Å; Q267-H269 PolarHBondContact O-N 3.2Å |
| 270 | R | 65.1 | Low | 75.7 | Confident | 212 Ų | 212 | 100.3 Ų | 100.3 | 80% | 0.8 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -78.9 | -14 | 174.8 | -71.2 | -172.3 | 170.3 | -166.1 | -1.4 | 113.8 | H266 Q267 K268 K272 | H266-R270 PolarHBondContact O-N 2.87Å; Q267-R270 WeakPolarHBondContact O-CA 3.43Å; Q267-R270 WeakPolarHBondContact O-CB 3.39Å; Q267-R270 PolarHBondContact O-N 3.11Å; K268-R270 VanDerWaalsContact C-N 3.27Å; K268-R270 PolarHBondContact O-N 3.42Å; R270-K272 PolarHBondContact O-N 2.87Å |
| 271 | Q | 63.8 | Low | 76.1 | Confident | 67 Ų | 67 | 101 Ų | 101 | 31% | 0.313 | 48% | 0.476 | S | S | . | . | trans | -70.9 | 25.6 | 178.6 | -160.1 | 63.5 | 48.4 | 0 | 0 | 114.1 | Q267 K268 H273 | Q267-Q271 PolarHBondContact O-N 3.07Å; K268-Q271 WeakPolarHBondContact O-CB 3.17Å; K268-Q271 PolarHBondContact O-N 3.03Å; Q271-H273 PolarHBondContact O-N 2.87Å | ||
| 272 | K | 51.4 | Low | 76.7 | Confident | 180 Ų | 180 | 98.6 Ų | 98.6 | 78% | 0.783 | 47% | 0.473 | S | S | * | . | trans | -61.8 | 22.8 | -172.8 | -90.6 | 179.5 | 176.2 | -175.6 | 0 | 116.1 | R270 | R270-K272 PolarHBondContact O-N 2.87Š| ||
| 273 | H | 62.1 | Low | 77.1 | Confident | 63 Ų | 63 | 99.2 Ų | 99.2 | 29% | 0.292 | 47% | 0.474 | S | S | . | . | trans | -129.8 | 29.7 | -164.3 | -78.1 | -3.9 | 0 | 0 | 0 | 114.8 | Q271 N275 R276 Q277 Y387 | Q271-H273 PolarHBondContact O-N 2.87Å; H273-N275 PolarHBondContact O-N 3.47Å; H273-N275 VanDerWaalsContact O-N 3.16Å; H273-R276 HydrophobicContact CB-CB 4.29Å; H273-R276 HydrophobicContact CB-CG 4.35Å; H273-R276 WeakPolarHBondContact CD2-CD 3.49Å; H273-R276 PolarHBondContact NE2-NH1 3.46Å; H273-R276 PolarHBondContact O-N 3.26Å; H273-Q277 PolarHBondContact O-N 2.92Å; H273-Y387 AromaticContact CD2-CE2 3.89Å; H273-Y387 AromaticContact CD2-CZ 3.82Å | ||
| 274 | F | 68.1 | Low | 77.7 | Confident | 140 Ų | 140 | 95.5 Ų | 95.5 | 61% | 0.614 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -49.8 | -37.6 | 165.7 | -177.8 | -102.9 | 0 | 0 | 0 | 111.8 | R276 Q277 R278 | F274-R276 VanDerWaalsContact C-N 3.29Å; F274-R276 PolarHBondContact O-N 3.32Å; F274-Q277 WeakPolarHBondContact O-CB 3.31Å; F274-Q277 PolarHBondContact O-N 3.08Å; F274-R278 HydrophobicContact CD1-CG 4.2Å; F274-R278 HydrophobicContact CE1-CG 3.91Å; F274-R278 HydrophobicContact CZ-CG 4.35Å; F274-R278 PolarHBondContact O-N 2.71Å |
| 275 | N | 72.8 | Confident | 78.5 | Confident | 118 Ų | 118 | 98.2 Ų | 98.2 | 63% | 0.631 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.3 | -30.2 | 176.2 | -72.2 | -9.1 | 0 | 0 | 0 | 113.8 | H273 P279 | H273-N275 PolarHBondContact O-N 3.47Å; H273-N275 VanDerWaalsContact O-N 3.16Å; N275-P279 WeakPolarHBondContact O-CD 3.43Å |
| 276 | R | 75.1 | Confident | 79.1 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 40% | 0.404 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -80.4 | -21.1 | 174.5 | -61.9 | 172.9 | 96.1 | 160.2 | 0.7 | 112.1 | H273 F274 I383 Y387 | H273-R276 HydrophobicContact CB-CB 4.29Å; H273-R276 HydrophobicContact CB-CG 4.35Å; H273-R276 WeakPolarHBondContact CD2-CD 3.49Å; H273-R276 PolarHBondContact NE2-NH1 3.46Å; H273-R276 PolarHBondContact O-N 3.26Å; F274-R276 VanDerWaalsContact C-N 3.29Å; F274-R276 PolarHBondContact O-N 3.32Å; R276-I383 HydrophobicContact CB-CG2 4.44Å; R276-Y387 PolarHBondContact NE-OH 3.37Å |
| 277 | Q | 84.1 | Confident | 79.8 | Confident | 42 Ų | 42 | 94.2 Ų | 94.2 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -75.6 | -35.7 | 173.6 | -71 | 176.5 | 7.8 | 0 | 0 | 112.9 | H273 F274 A280 A281 I383 | H273-Q277 PolarHBondContact O-N 2.92Å; F274-Q277 WeakPolarHBondContact O-CB 3.31Å; F274-Q277 PolarHBondContact O-N 3.08Å; Q277-A280 PolarHBondContact O-N 3.49Å; Q277-A281 WeakPolarHBondContact O-CB 3.39Å; Q277-A281 PolarHBondContact O-N 3.48Å; Q277-I383 HydrophobicContact CB-CG2 4.43Å; Q277-I383 HydrophobicContact CG-CG2 3.62Å; Q277-I383 PolarHBondContact NE2-O 2.69Å |
| 278 | R | 85.8 | Confident | 80.7 | Confident | 159 Ų | 159 | 94 Ų | 94 | 60% | 0.6 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -53.3 | -54.4 | -179.4 | -68.8 | 177.4 | 72.8 | -177.1 | 0.6 | 113.9 | F274 A280 A281 A282 | F274-R278 HydrophobicContact CD1-CG 4.2Å; F274-R278 HydrophobicContact CE1-CG 3.91Å; F274-R278 HydrophobicContact CZ-CG 4.35Å; F274-R278 PolarHBondContact O-N 2.71Å; R278-A280 VanDerWaalsContact C-N 3.32Å; R278-A280 PolarHBondContact O-N 2.62Å; R278-A281 PolarHBondContact O-N 3.32Å; R278-A282 PolarHBondContact O-N 3.47Å |
| 279 | P | 89.8 | Confident | 81.7 | Confident | 76 Ų | 76 | 92.7 Ų | 92.7 | 49% | 0.494 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.3 | -32.9 | -179.1 | 26.2 | -34.8 | 0 | 0 | 0 | 112.6 | N275 A282 S283 | N275-P279 WeakPolarHBondContact O-CD 3.43Å; P279-A282 PolarHBondContact O-N 2.88Å; P279-S283 WeakPolarHBondContact O-CB 3.31Å; P279-S283 PolarHBondContact O-N 2.83Å; P279-S283 PolarHBondContact O-OG 2.92Å |
| 280 | A | 89.9 | Confident | 82.6 | Confident | 13 Ų | 13 | 88.4 Ų | 88.4 | 11% | 0.107 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q277 R278 S283 L284 F380 I383 | Q277-A280 PolarHBondContact O-N 3.49Å; R278-A280 VanDerWaalsContact C-N 3.32Å; R278-A280 PolarHBondContact O-N 2.62Å; A280-S283 PolarHBondContact O-N 3.16Å; A280-L284 WeakPolarHBondContact O-CB 3.47Å; A280-L284 PolarHBondContact O-N 2.84Å; A280-F380 HydrophobicContact CB-CD2 4.16Å; A280-I383 HydrophobicContact CB-CD1 3.37Å |
| 281 | A | 93.2 | Very high | 83.7 | Confident | 29 Ų | 29 | 79.2 Ų | 79.2 | 24% | 0.24 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q277 R278 S283 L284 I285 F380 | Q277-A281 WeakPolarHBondContact O-CB 3.39Å; Q277-A281 PolarHBondContact O-N 3.48Å; R278-A281 PolarHBondContact O-N 3.32Å; A281-S283 PolarHBondContact O-N 2.87Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; A281-L284 PolarHBondContact O-N 3.35Å; A281-I285 WeakPolarHBondContact O-CG1 3.29Å; A281-I285 PolarHBondContact O-N 3.26Å; A281-F380 HydrophobicContact CB-CD2 4.13Å; A281-F380 HydrophobicContact CB-CE2 3.66Å; A281-F380 HydrophobicContact CB-CZ 4.38Å |
| 282 | A | 94.5 | Very high | 84.9 | Confident | 42 Ų | 42 | 83.8 Ų | 83.8 | 35% | 0.347 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R278 P279 L284 I285 Q286 | R278-A282 PolarHBondContact O-N 3.47Å; P279-A282 PolarHBondContact O-N 2.88Å; A282-L284 VanDerWaalsContact C-N 3.31Å; A282-L284 PolarHBondContact O-N 3.02Å; A282-I285 PolarHBondContact O-N 2.91Å; A282-Q286 WeakPolarHBondContact O-CB 3.25Å; A282-Q286 VanDerWaalsContact O-CG 3.3Å; A282-Q286 WeakPolarHBondContact O-CG 3.4Å; A282-Q286 PolarHBondContact O-N 3.26Å |
| 283 | S | 93 | Very high | 86.6 | Confident | 61 Ų | 61 | 75.2 Ų | 75.2 | 43% | 0.427 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 177 | -60 | 0 | 0 | 0 | 0 | 112.3 | P279 A280 A281 A287 | P279-S283 WeakPolarHBondContact O-CB 3.31Å; P279-S283 PolarHBondContact O-N 2.83Å; P279-S283 PolarHBondContact O-OG 2.92Å; A280-S283 PolarHBondContact O-N 3.16Å; A281-S283 PolarHBondContact O-N 2.87Å; S283-A287 VanDerWaalsContact O-CB 3.27Å; S283-A287 WeakPolarHBondContact O-CB 3.26Å; S283-A287 PolarHBondContact O-N 3.49Å |
| 284 | L | 94.8 | Very high | 87.5 | Confident | 31 Ų | 31 | 72.4 Ų | 72.4 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.4 | 175.6 | 60.9 | 0 | 0 | 0 | 111.9 | A280 A281 A282 A287 L288 Y373 A376 R377 F380 | A280-L284 WeakPolarHBondContact O-CB 3.47Å; A280-L284 PolarHBondContact O-N 2.84Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; A281-L284 PolarHBondContact O-N 3.35Å; A282-L284 VanDerWaalsContact C-N 3.31Å; A282-L284 PolarHBondContact O-N 3.02Å; L284-A287 PolarHBondContact O-N 3.3Å; L284-L288 WeakPolarHBondContact O-CB 3.26Å; L284-L288 PolarHBondContact O-N 3.44Å; L284-Y373 HydrophobicContact CD1-CD2 4.03Å; L284-Y373 HydrophobicContact CD1-CE2 3.87Å; L284-A376 HydrophobicContact CB-CB 4.49Å; L284-A376 HydrophobicContact CD1-CB 4.26Å; L284-R377 HydrophobicContact CD1-CB 3.91Å; L284-F380 HydrophobicContact CD2-CB 4.02Å; L284-F380 HydrophobicContact CD2-CD1 3.62Å; L284-F380 HydrophobicContact CD2-CE1 4.3Å; L284-F380 HydrophobicContact CD2-CG 3.88Å |
| 285 | I | 94.3 | Very high | 88.2 | Confident | 117 Ų | 117 | 70.9 Ų | 70.9 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.9 | -45.7 | 178.8 | -66.2 | 166.2 | 0 | 0 | 0 | 110.2 | A281 A282 L288 W289 | A281-I285 WeakPolarHBondContact O-CG1 3.29Å; A281-I285 PolarHBondContact O-N 3.26Å; A282-I285 PolarHBondContact O-N 2.91Å; I285-L288 PolarHBondContact O-N 3.43Å; I285-W289 PolarHBondContact O-N 3.42Å |
| 286 | Q | 93.1 | Very high | 88 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 177.5 | -71 | 173.9 | -7.9 | 0 | 0 | 112 | A282 W289 Q290 | A282-Q286 WeakPolarHBondContact O-CB 3.25Å; A282-Q286 VanDerWaalsContact O-CG 3.3Å; A282-Q286 WeakPolarHBondContact O-CG 3.4Å; A282-Q286 PolarHBondContact O-N 3.26Å; Q286-W289 PolarHBondContact O-N 2.86Å; Q286-Q290 WeakPolarHBondContact O-CG 3.41Å; Q286-Q290 PolarHBondContact O-N 3.38Å |
| 287 | A | 91.7 | Very high | 87.9 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S283 L284 Q290 C291 A376 | S283-A287 VanDerWaalsContact O-CB 3.27Å; S283-A287 WeakPolarHBondContact O-CB 3.26Å; S283-A287 PolarHBondContact O-N 3.49Å; L284-A287 PolarHBondContact O-N 3.3Å; A287-Q290 PolarHBondContact O-N 2.92Å; A287-C291 WeakPolarHBondContact O-CB 3.28Å; A287-C291 PolarHBondContact O-N 2.94Å; A287-A376 HydrophobicContact CB-CB 4.14Å |
| 288 | L | 93.3 | Very high | 87.1 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 173.9 | 179 | 64.8 | 0 | 0 | 0 | 111 | L284 I285 C291 Y292 Y373 | L284-L288 WeakPolarHBondContact O-CB 3.26Å; L284-L288 PolarHBondContact O-N 3.44Å; I285-L288 PolarHBondContact O-N 3.43Å; L288-C291 PolarHBondContact O-N 2.94Å; L288-Y292 PolarHBondContact O-N 3.05Å; L288-Y373 HydrophobicContact CB-CD2 4.01Å; L288-Y373 HydrophobicContact CB-CE2 4.15Å; L288-Y373 HydrophobicContact CD1-CD2 4.04Å; L288-Y373 HydrophobicContact CD1-CE2 3.68Å; L288-Y373 HydrophobicContact CG-CE2 4.43Å |
| 289 | W | 91.5 | Very high | 86 | Confident | 138 Ų | 138 | 69.2 Ų | 69.2 | 52% | 0.523 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.8 | 178.6 | 82.4 | 0 | 0 | 0 | 112.1 | I285 Q286 C291 Y292 A293 T303 | I285-W289 PolarHBondContact O-N 3.42Å; Q286-W289 PolarHBondContact O-N 2.86Å; W289-C291 VanDerWaalsContact C-N 3.33Å; W289-C291 PolarHBondContact O-N 3.26Å; W289-Y292 PolarHBondContact O-N 3.49Å; W289-A293 WeakPolarHBondContact O-CB 3.26Å; W289-A293 PolarHBondContact O-N 2.93Å; W289-T303 WeakPolarHBondContact CH2-OG1 3.36Å; W289-T303 HydrophobicContact CZ3-CG2 4.3Å |
| 290 | Q | 87.9 | Confident | 85 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.9 | -73.1 | 175.5 | -2.4 | 0 | 0 | 112.3 | Q286 A287 T294 | Q286-Q290 WeakPolarHBondContact O-CG 3.41Å; Q286-Q290 PolarHBondContact O-N 3.38Å; A287-Q290 PolarHBondContact O-N 2.92Å; Q290-T294 WeakPolarHBondContact O-CG2 3.32Å; Q290-T294 PolarHBondContact O-N 3.09Å; Q290-T294 PolarHBondContact O-OG1 3Å |
| 291 | C | 88 | Confident | 84 | Confident | 20 Ų | 20 | 74.9 Ų | 74.9 | 14% | 0.135 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 175.6 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | A287 L288 W289 T294 H366 | A287-C291 WeakPolarHBondContact O-CB 3.28Å; A287-C291 PolarHBondContact O-N 2.94Å; L288-C291 PolarHBondContact O-N 2.94Å; W289-C291 VanDerWaalsContact C-N 3.33Å; W289-C291 PolarHBondContact O-N 3.26Å; C291-T294 PolarHBondContact O-OG1 3.28Å; C291-T294 VanDerWaalsContact O-OG1 3.1Å; C291-H366 PolarHBondContact O-CE1 3.48Å |
| 292 | Y | 88.5 | Confident | 83 | Confident | 163 Ų | 163 | 77.3 Ų | 77.3 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.6 | -46.5 | 175.6 | -179.5 | -98.8 | 0 | 0 | 0 | 111.9 | L288 W289 T294 F295 S298 | L288-Y292 PolarHBondContact O-N 3.05Å; W289-Y292 PolarHBondContact O-N 3.49Å; Y292-T294 PolarHBondContact O-N 2.82Å; Y292-F295 WeakPolarHBondContact O-CB 3.09Å; Y292-F295 PolarHBondContact O-N 2.97Å; Y292-S298 PolarHBondContact O-OG 3.45Å |
| 293 | A | 86 | Confident | 82 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68 | -15.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W289 C300 T303 | W289-A293 WeakPolarHBondContact O-CB 3.26Å; W289-A293 PolarHBondContact O-N 2.93Å; A293-C300 HydrophobicContact CB-CB 3.96Å; A293-T303 HydrophobicContact CB-CG2 3.92Å; A293-T303 WeakPolarHBondContact CB-OG1 3.46Å |
| 294 | T | 81.7 | Confident | 81 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.025 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5.4 | 176.9 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | Q290 C291 Y292 W304 F307 I365 H366 | Q290-T294 WeakPolarHBondContact O-CG2 3.32Å; Q290-T294 PolarHBondContact O-N 3.09Å; Q290-T294 PolarHBondContact O-OG1 3Å; C291-T294 PolarHBondContact O-OG1 3.28Å; C291-T294 VanDerWaalsContact O-OG1 3.1Å; Y292-T294 PolarHBondContact O-N 2.82Å; T294-W304 HydrophobicContact CG2-CH2 4.36Å; T294-W304 HydrophobicContact CG2-CZ2 4.32Å; T294-F307 HydrophobicContact CG2-CE2 4.08Å; T294-I365 HydrophobicContact CG2-CG2 4.16Å; T294-H366 PolarHBondContact O-ND1 2.8Å; T294-H366 PolarHBondContact OG1-ND1 3.08Å |
| 295 | F | 82.4 | Confident | 79.9 | Confident | 108 Ų | 108 | 75.2 Ų | 75.2 | 47% | 0.474 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -64.2 | 146.8 | 176.8 | -149.8 | -101.8 | 0 | 0 | 0 | 110.6 | Y292 N297 S298 H366 | Y292-F295 WeakPolarHBondContact O-CB 3.09Å; Y292-F295 PolarHBondContact O-N 2.97Å; F295-N297 PolarHBondContact O-N 3.06Å; F295-S298 WeakPolarHBondContact O-CB 3.43Å; F295-S298 PolarHBondContact O-N 3.19Å; F295-H366 AromaticContact CD2-CE1 3.99Å |
| 296 | P | 70.4 | Confident | 78.7 | Confident | 101 Ų | 101 | 78.1 Ų | 78.1 | 66% | 0.656 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.3 | -174.5 | -28.1 | 34.1 | 0 | 0 | 0 | 115.2 | ||
| 297 | N | 71.1 | Confident | 77.6 | Confident | 139 Ų | 139 | 74.4 Ų | 74.4 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 1.7 | -177.8 | -61.3 | -12.8 | 0 | 0 | 0 | 113.5 | F295 | F295-N297 PolarHBondContact O-N 3.06Š|
| 298 | S | 67.3 | Low | 76.3 | Confident | 24 Ų | 24 | 77.5 Ų | 77.5 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | trans | -97.2 | 113.9 | -173.9 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | Y292 F295 C300 | Y292-S298 PolarHBondContact O-OG 3.45Å; F295-S298 WeakPolarHBondContact O-CB 3.43Å; F295-S298 PolarHBondContact O-N 3.19Å; S298-C300 PolarHBondContact O-N 2.63Å; S298-C300 VanDerWaalsContact O-N 3.15Å | ||
| 299 | C | 62.6 | Low | 74.7 | Confident | 127 Ų | 127 | 75.7 Ų | 75.7 | 86% | 0.858 | 39% | 0.392 | S | S | * | . | trans | -82.1 | 26.5 | -178.7 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | F301 | C299-F301 PolarHBondContact O-N 3.28Š| ||
| 300 | C | 69 | Low | 73.2 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 32% | 0.324 | 39% | 0.39 | S | S | . | . | trans | -73.8 | 82.8 | -171.9 | -65.9 | 0 | 0 | 0 | 0 | 113 | A293 S298 A302 T303 W304 | A293-C300 HydrophobicContact CB-CB 3.96Å; S298-C300 PolarHBondContact O-N 2.63Å; S298-C300 VanDerWaalsContact O-N 3.15Å; C300-A302 VanDerWaalsContact C-N 3.28Å; C300-A302 PolarHBondContact O-N 3.37Å; C300-T303 PolarHBondContact O-N 2.87Å; C300-T303 VanDerWaalsContact O-N 3.15Å; C300-W304 PolarHBondContact O-N 3.44Å | ||
| 301 | F | 69.5 | Low | 71.7 | Confident | 160 Ų | 160 | 73.3 Ų | 73.3 | 70% | 0.702 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -53.3 | -39.6 | -178.3 | -175.1 | -98.6 | 0 | 0 | 0 | 113.8 | C299 T303 W304 S305 | C299-F301 PolarHBondContact O-N 3.28Å; F301-T303 VanDerWaalsContact C-N 3.3Å; F301-T303 PolarHBondContact O-N 2.95Å; F301-W304 PolarHBondContact O-N 3.29Å; F301-S305 PolarHBondContact O-N 2.93Å |
| 302 | A | 72.6 | Confident | 69.9 | Low | 79 Ų | 79 | 81.9 Ų | 81.9 | 65% | 0.653 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.6 | -37.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C300 | C300-A302 VanDerWaalsContact C-N 3.28Å; C300-A302 PolarHBondContact O-N 3.37Å |
| 303 | T | 73.4 | Confident | 68.1 | Low | 9 Ų | 9 | 81.2 Ų | 81.2 | 6% | 0.055 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -74 | -40.3 | 178.2 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | W289 A293 C300 F301 S305 R306 F307 | W289-T303 WeakPolarHBondContact CH2-OG1 3.36Å; W289-T303 HydrophobicContact CZ3-CG2 4.3Å; A293-T303 HydrophobicContact CB-CG2 3.92Å; A293-T303 WeakPolarHBondContact CB-OG1 3.46Å; C300-T303 PolarHBondContact O-N 2.87Å; C300-T303 VanDerWaalsContact O-N 3.15Å; F301-T303 VanDerWaalsContact C-N 3.3Å; F301-T303 PolarHBondContact O-N 2.95Å; T303-S305 VanDerWaalsContact C-N 3.35Å; T303-R306 PolarHBondContact O-N 3.25Å; T303-F307 HydrophobicContact CG2-CE2 4.19Å; T303-F307 VanDerWaalsContact O-CD2 3.29Å; T303-F307 WeakPolarHBondContact O-CD2 3.36Å |
| 304 | W | 71.6 | Confident | 66.2 | Low | 32 Ų | 32 | 86.4 Ų | 86.4 | 12% | 0.121 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.9 | -33.2 | 176.8 | -70.4 | 109 | 0 | 0 | 0 | 112.8 | T294 C300 F301 R306 F307 N308 K362 I365 | T294-W304 HydrophobicContact CG2-CH2 4.36Å; T294-W304 HydrophobicContact CG2-CZ2 4.32Å; C300-W304 PolarHBondContact O-N 3.44Å; F301-W304 PolarHBondContact O-N 3.29Å; W304-R306 VanDerWaalsContact C-N 3.27Å; W304-R306 PolarHBondContact O-N 3.31Å; W304-F307 HydrophobicContact CE3-CD2 4.42Å; W304-F307 PolarHBondContact O-N 2.86Å; W304-N308 PolarHBondContact O-N 3.17Å; W304-K362 HydrophobicContact CE3-CG 4.44Å; W304-K362 HydrophobicContact CH2-CB 3.71Å; W304-K362 HydrophobicContact CH2-CD 4.14Å; W304-K362 HydrophobicContact CH2-CG 3.52Å; W304-K362 HydrophobicContact CZ2-CD 4.45Å; W304-K362 HydrophobicContact CZ2-CG 4.29Å; W304-K362 HydrophobicContact CZ3-CB 4.14Å; W304-K362 HydrophobicContact CZ3-CD 4.41Å; W304-K362 HydrophobicContact CZ3-CG 3.6Å; W304-I365 HydrophobicContact CE3-CD1 4.43Å; W304-I365 HydrophobicContact CZ3-CB 4.43Å; W304-I365 HydrophobicContact CZ3-CD1 3.68Å; W304-I365 HydrophobicContact CZ3-CG2 4.26Å |
| 305 | S | 71.7 | Confident | 64.3 | Low | 49 Ų | 49 | 91.5 Ų | 91.5 | 34% | 0.343 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -52.7 | -42.8 | 174.8 | 168.3 | 0 | 0 | 0 | 0 | 112.4 | F301 T303 F307 N308 S309 | F301-S305 PolarHBondContact O-N 2.93Å; T303-S305 VanDerWaalsContact C-N 3.35Å; S305-F307 VanDerWaalsContact C-N 3.3Å; S305-F307 PolarHBondContact O-N 2.79Å; S305-N308 PolarHBondContact O-N 3.42Å; S305-S309 PolarHBondContact O-N 2.89Å; S305-S309 PolarHBondContact O-OG 2.83Å |
| 306 | R | 70.2 | Confident | 62.6 | Low | 179 Ų | 179 | 96.3 Ų | 96.3 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -38.9 | 177.5 | -172.3 | 178.1 | -179.1 | 166.6 | 3.2 | 112.4 | T303 W304 A310 | T303-R306 PolarHBondContact O-N 3.25Å; W304-R306 VanDerWaalsContact C-N 3.27Å; W304-R306 PolarHBondContact O-N 3.31Å; R306-A310 PolarHBondContact O-N 3.37Å |
| 307 | F | 68.8 | Low | 61.1 | Low | 42 Ų | 42 | 98.5 Ų | 98.5 | 18% | 0.184 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -73.9 | -42.2 | 176.9 | -64.9 | -69.9 | 0 | 0 | 0 | 111.1 | T294 T303 W304 S305 S309 A310 Y311 I365 | T294-F307 HydrophobicContact CG2-CE2 4.08Å; T303-F307 HydrophobicContact CG2-CE2 4.19Å; T303-F307 VanDerWaalsContact O-CD2 3.29Å; T303-F307 WeakPolarHBondContact O-CD2 3.36Å; W304-F307 HydrophobicContact CE3-CD2 4.42Å; W304-F307 PolarHBondContact O-N 2.86Å; S305-F307 VanDerWaalsContact C-N 3.3Å; S305-F307 PolarHBondContact O-N 2.79Å; F307-S309 VanDerWaalsContact C-N 3.32Å; F307-S309 PolarHBondContact O-N 3.3Å; F307-A310 CarbonylContact O-C 3.59Å; F307-A310 WeakPolarHBondContact O-CA 3.19Å; F307-A310 WeakPolarHBondContact O-CB 3.19Å; F307-A310 PolarHBondContact O-N 3.49Å; F307-A310 VanDerWaalsContact O-N 3.08Å; F307-Y311 VanDerWaalsContact C-CD2 3.49Å; F307-Y311 HydrophobicContact CB-CD2 4.36Å; F307-Y311 HydrophobicContact CB-CE2 3.98Å; F307-Y311 WeakPolarHBondContact O-CD2 3.44Å; F307-Y311 PolarHBondContact O-N 3.26Å; F307-I365 HydrophobicContact CB-CD1 4.32Å; F307-I365 HydrophobicContact CD1-CG1 4.46Å; F307-I365 HydrophobicContact CD1-CG2 3.83Å; F307-I365 HydrophobicContact CD2-CG2 3.92Å; F307-I365 HydrophobicContact CE1-CG2 3.63Å; F307-I365 HydrophobicContact CE2-CG2 3.71Å; F307-I365 HydrophobicContact CG-CD1 4.42Å; F307-I365 HydrophobicContact CG-CG2 3.99Å; F307-I365 HydrophobicContact CZ-CG2 3.57Å |
| 308 | N | 64 | Low | 59.2 | Low | 73 Ų | 73 | 103.5 Ų | 103.5 | 39% | 0.39 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 177.4 | -71.9 | -12.8 | 0 | 0 | 0 | 112.8 | W304 S305 Y311 R312 | W304-N308 PolarHBondContact O-N 3.17Å; S305-N308 PolarHBondContact O-N 3.42Å; N308-Y311 PolarHBondContact O-N 3.01Å; N308-R312 PolarHBondContact O-N 2.93Å; N308-R312 VanDerWaalsContact O-N 3.11Å |
| 309 | S | 61.4 | Low | 57.6 | Low | 53 Ų | 53 | 108.2 Ų | 108.2 | 37% | 0.371 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 173.4 | -63.4 | 0 | 0 | 0 | 0 | 112 | S305 F307 R312 | S305-S309 PolarHBondContact O-N 2.89Å; S305-S309 PolarHBondContact O-OG 2.83Å; F307-S309 VanDerWaalsContact C-N 3.32Å; F307-S309 PolarHBondContact O-N 3.3Å; S309-R312 PolarHBondContact O-N 3.22Å |
| 310 | A | 58.2 | Low | 56.3 | Low | 58 Ų | 58 | 107.7 Ų | 107.7 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R306 F307 R312 L313 | R306-A310 PolarHBondContact O-N 3.37Å; F307-A310 CarbonylContact O-C 3.59Å; F307-A310 WeakPolarHBondContact O-CA 3.19Å; F307-A310 WeakPolarHBondContact O-CB 3.19Å; F307-A310 PolarHBondContact O-N 3.49Å; F307-A310 VanDerWaalsContact O-N 3.08Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 2.93Å; A310-L313 PolarHBondContact O-N 3.1Å |
| 311 | Y | 57 | Low | 54.6 | Low | 72 Ų | 72 | 112 Ų | 112 | 28% | 0.282 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.6 | -35 | 174.7 | -77 | -60.9 | 0 | 0 | 0 | 113.1 | F307 N308 L313 L314 L361 I365 | F307-Y311 VanDerWaalsContact C-CD2 3.49Å; F307-Y311 HydrophobicContact CB-CD2 4.36Å; F307-Y311 HydrophobicContact CB-CE2 3.98Å; F307-Y311 WeakPolarHBondContact O-CD2 3.44Å; F307-Y311 PolarHBondContact O-N 3.26Å; N308-Y311 PolarHBondContact O-N 3.01Å; Y311-L313 PolarHBondContact O-N 3.15Å; Y311-L314 HydrophobicContact CD1-CD1 3.85Å; Y311-L314 HydrophobicContact CE1-CD1 4.32Å; Y311-L314 PolarHBondContact O-N 3.07Å; Y311-L361 HydrophobicContact CD1-CD2 3.95Å; Y311-L361 HydrophobicContact CD2-CD2 4.21Å; Y311-L361 HydrophobicContact CE1-CD1 3.56Å; Y311-L361 HydrophobicContact CE1-CD2 3.53Å; Y311-L361 HydrophobicContact CE1-CG 3.83Å; Y311-L361 HydrophobicContact CE2-CD2 3.79Å; Y311-L361 HydrophobicContact CE2-CG 4.09Å; Y311-L361 HydrophobicContact CG-CD2 4.32Å; Y311-L361 VanDerWaalsContact CZ-CD2 3.46Å; Y311-L361 VanDerWaalsContact CZ-CG 3.47Å; Y311-L361 WeakPolarHBondContact OH-CD1 3.49Å; Y311-L361 VanDerWaalsContact OH-CG 3.28Å; Y311-L361 WeakPolarHBondContact OH-CG 3.47Å; Y311-I365 HydrophobicContact CE2-CD1 3.63Å; Y311-I365 HydrophobicContact CE2-CG1 4.4Å; Y311-I365 WeakPolarHBondContact OH-CD1 3.22Å; Y311-I365 WeakPolarHBondContact OH-CG1 3.38Å |
| 312 | R | 49.7 | Very low | 53.1 | Low | 199 Ų | 199 | 113 Ų | 113 | 75% | 0.751 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.2 | -19.8 | 177.1 | -81.5 | -170.6 | -92.6 | -154.4 | -1.6 | 113.8 | N308 S309 A310 | N308-R312 PolarHBondContact O-N 2.93Å; N308-R312 VanDerWaalsContact O-N 3.11Å; S309-R312 PolarHBondContact O-N 3.22Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 2.93Å |
| 313 | L | 50.7 | Low | 51.4 | Low | 149 Ų | 149 | 118 Ų | 118 | 78% | 0.78 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -6.6 | 179.8 | -64.6 | 172.9 | 0 | 0 | 0 | 113.7 | A310 Y311 | A310-L313 PolarHBondContact O-N 3.1Å; Y311-L313 PolarHBondContact O-N 3.15Å |
| 314 | L | 47.7 | Very low | 49.8 | Very low | 109 Ų | 109 | 126 Ų | 126 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -70.6 | 132 | 171 | -71.2 | 166.9 | 0 | 0 | 0 | 108.4 | Y311 R316 | Y311-L314 HydrophobicContact CD1-CD1 3.85Å; Y311-L314 HydrophobicContact CE1-CD1 4.32Å; Y311-L314 PolarHBondContact O-N 3.07Å; L314-R316 PolarHBondContact O-N 3.04Å |
| 315 | P | 41.4 | Very low | 48.4 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -53 | 117.6 | 174.2 | -19.4 | 29.5 | 0 | 0 | 0 | 108 | D317 | P315-D317 VanDerWaalsContact C-N 3.27Å; P315-D317 PolarHBondContact O-N 3.31Å | ||
| 316 | R | 45.9 | Very low | 47.1 | Very low | 209 Ų | 209 | 134.8 Ų | 134.8 | 79% | 0.789 | 67% | 0.667 | S | S | * | * | trans | -65.6 | 102.6 | 160.1 | -82.7 | -146 | -152.3 | -167.7 | 12.7 | 104.7 | L314 R318 | L314-R316 PolarHBondContact O-N 3.04Å; R316-R318 PolarHBondContact O-N 2.98Å; R316-R318 VanDerWaalsContact O-N 3.07Å | ||
| 317 | D | 39.2 | Very low | 46.4 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 78% | 0.781 | 66% | 0.657 | S | S | * | * | trans | -47.7 | 123.3 | 157.8 | -74.3 | -39.4 | 0 | 0 | 0 | 107 | P315 L319 | P315-D317 VanDerWaalsContact C-N 3.27Å; P315-D317 PolarHBondContact O-N 3.31Å; D317-L319 PolarHBondContact O-N 3.4Å | ||
| 318 | R | 31.9 | Very low | 45.6 | Very low | 245 Ų | 245 | 132.2 Ų | 132.2 | 93% | 0.925 | 67% | 0.671 | S | S | * | * | trans | -33.4 | 101 | -175.4 | -71.1 | 179.7 | -97.9 | -144.9 | -3.2 | 111 | R316 | R316-R318 PolarHBondContact O-N 2.98Å; R316-R318 VanDerWaalsContact O-N 3.07Å | ||
| 319 | L | 34.1 | Very low | 44.9 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | trans | -70 | 134.4 | 154.7 | -96.4 | 100.5 | 0 | 0 | 0 | 106 | D317 T321 | D317-L319 PolarHBondContact O-N 3.4Å; L319-T321 PolarHBondContact O-N 2.91Å | ||
| 320 | P | 33.8 | Very low | 44.4 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | -52.9 | 129.8 | 176.3 | -17.7 | 28.5 | 0 | 0 | 0 | 108.4 | E322 | P320-E322 PolarHBondContact O-N 3.07Š| ||
| 321 | T | 33.8 | Very low | 44.3 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | trans | -44.3 | 126.1 | 167.5 | -15.1 | 0 | 0 | 0 | 0 | 107.7 | L319 E323 | L319-T321 PolarHBondContact O-N 2.91Å; T321-E323 VanDerWaalsContact C-N 3.34Å; T321-E323 PolarHBondContact O-N 3.32Å | ||
| 322 | E | 38.3 | Very low | 44.3 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | trans | -60 | 98.6 | 171.7 | -70.7 | 179.2 | 149.2 | 0 | 0 | 107.5 | P320 E324 | P320-E322 PolarHBondContact O-N 3.07Å; E322-E324 PolarHBondContact O-N 3.13Å | ||
| 323 | E | 36.8 | Very low | 45.1 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -70.8 | 108 | 151.6 | -82 | -178.7 | 168 | 0 | 0 | 105.8 | T321 | T321-E323 VanDerWaalsContact C-N 3.34Å; T321-E323 PolarHBondContact O-N 3.32Å | ||
| 324 | E | 39 | Very low | 45.9 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | trans | -58.2 | 121.5 | 169.5 | -170.2 | 163.7 | -166.8 | 0 | 0 | 107.8 | E322 L326 | E322-E324 PolarHBondContact O-N 3.13Å; E324-L326 PolarHBondContact O-N 3.25Å; E324-L326 VanDerWaalsContact O-N 3.08Å | ||
| 325 | P | 42.1 | Very low | 46.8 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | trans | -66.8 | 116.7 | -178.3 | 26.1 | -30.5 | 0 | 0 | 0 | 107.9 | I327 | P325-I327 VanDerWaalsContact C-N 3.35Å; P325-I327 PolarHBondContact O-N 2.92Å | ||
| 326 | L | 46.2 | Very low | 47.7 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | trans | -63.1 | 98.5 | 168.6 | -135.9 | 103.4 | 0 | 0 | 0 | 106.8 | E324 P328 | E324-L326 PolarHBondContact O-N 3.25Å; E324-L326 VanDerWaalsContact O-N 3.08Å; L326-P328 VanDerWaalsContact O-CD 3.3Å; L326-P328 WeakPolarHBondContact O-CD 3.43Å | ||
| 327 | I | 55.5 | Low | 48.6 | Very low | 93 Ų | 93 | 132 Ų | 132 | 48% | 0.477 | 67% | 0.674 | S | S | . | * | trans | -62.8 | 118.3 | 174 | -58.4 | 173.7 | 0 | 0 | 0 | 106.3 | P325 Y336 | P325-I327 VanDerWaalsContact C-N 3.35Å; P325-I327 PolarHBondContact O-N 2.92Å; I327-Y336 HydrophobicContact CD1-CE2 4.09Å | ||
| 328 | P | 50.3 | Low | 50.1 | Low | 74 Ų | 74 | 129.8 Ų | 129.8 | 48% | 0.481 | 66% | 0.661 | S | S | . | * | trans | -63.7 | 138.9 | -178.8 | 23.3 | -30.5 | 0 | 0 | 0 | 109.8 | L326 Q330 | L326-P328 VanDerWaalsContact O-CD 3.3Å; L326-P328 WeakPolarHBondContact O-CD 3.43Å; P328-Q330 PolarHBondContact O-N 3.23Å | ||
| 329 | P | 50.8 | Low | 51.8 | Low | 135 Ų | 135 | 122.4 Ų | 122.4 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 22.7 | -170.4 | 27.4 | -34.1 | 0 | 0 | 0 | 115.3 | ||
| 330 | Q | 51.3 | Low | 53.1 | Low | 183 Ų | 183 | 120 Ų | 120 | 86% | 0.855 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.3 | 34.1 | -177.7 | -64.7 | -163.1 | -16.5 | 0 | 0 | 114.2 | P328 | P328-Q330 PolarHBondContact O-N 3.23Š|
| 331 | M | 55.9 | Low | 54.6 | Low | 55 Ų | 55 | 118.2 Ų | 118.2 | 27% | 0.271 | 61% | 0.614 | S | S | . | * | trans | -90.4 | 131 | 178.8 | -161 | 176.8 | -88.5 | 0 | 0 | 112.3 | E335 E339 | M331-E335 HydrophobicContact CE-CG 4.44Å; M331-E335 HydrophobicContact CG-CB 3.85Å; M331-E335 HydrophobicContact CG-CG 4.02Å; M331-E335 HydrophobicContact SD-CB 4.28Å; M331-E335 HydrophobicContact SD-CG 4.09Å; M331-E339 VanDerWaalsContact CE-OE2 3.28Å; M331-E339 WeakPolarHBondContact CE-OE2 3.47Å | ||
| 332 | N | 56.4 | Low | 56.2 | Low | 96 Ų | 96 | 118.4 Ų | 118.4 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | trans | -67.9 | 142.6 | 177.2 | 10 | -27 | 0 | 0 | 0 | 110 | T334 E335 Y336 | N332-T334 VanDerWaalsContact C-N 3.25Å; N332-T334 PolarHBondContact O-N 3.12Å; N332-T334 VanDerWaalsContact O-N 3.1Å; N332-E335 WeakPolarHBondContact O-CB 3.11Å; N332-E335 PolarHBondContact O-N 2.65Å; N332-E335 PolarHBondContact OD1-OE2 2.92Å; N332-Y336 PolarHBondContact O-N 3.44Å; N332-Y336 VanDerWaalsContact O-N 3.13Å | ||
| 333 | K | 66.6 | Low | 57 | Low | 172 Ų | 172 | 113.4 Ų | 113.4 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -52.4 | -38.9 | -171.7 | -168.4 | 173.5 | -177.5 | 175.4 | 0 | 114.1 | D337 | K333-D337 PolarHBondContact O-N 2.9Å; K333-D337 VanDerWaalsContact O-N 3.12Å |
| 334 | T | 68 | Low | 58 | Low | 98 Ų | 98 | 107.8 Ų | 107.8 | 60% | 0.601 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.4 | -35 | 177.2 | 39.6 | 0 | 0 | 0 | 0 | 113.5 | N332 I338 | N332-T334 VanDerWaalsContact C-N 3.25Å; N332-T334 PolarHBondContact O-N 3.12Å; N332-T334 VanDerWaalsContact O-N 3.1Å; T334-I338 WeakPolarHBondContact O-CD1 3.45Å; T334-I338 VanDerWaalsContact O-CG1 3.3Å; T334-I338 WeakPolarHBondContact O-CG1 3.35Å; T334-I338 PolarHBondContact O-N 3.48Å |
| 335 | E | 65.6 | Low | 58.9 | Low | 99 Ų | 99 | 102 Ų | 102 | 46% | 0.463 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -76.1 | -38.1 | -179.9 | -165.4 | 163.1 | -158.7 | 0 | 0 | 110.9 | M331 N332 D337 I338 E339 | M331-E335 HydrophobicContact CE-CG 4.44Å; M331-E335 HydrophobicContact CG-CB 3.85Å; M331-E335 HydrophobicContact CG-CG 4.02Å; M331-E335 HydrophobicContact SD-CB 4.28Å; M331-E335 HydrophobicContact SD-CG 4.09Å; N332-E335 WeakPolarHBondContact O-CB 3.11Å; N332-E335 PolarHBondContact O-N 2.65Å; N332-E335 PolarHBondContact OD1-OE2 2.92Å; E335-D337 PolarHBondContact O-N 3.47Å; E335-I338 PolarHBondContact O-N 2.89Å; E335-E339 PolarHBondContact O-N 2.76Å; E335-E339 VanDerWaalsContact O-N 3.07Å |
| 336 | Y | 61.2 | Low | 59.6 | Low | 103 Ų | 103 | 102.5 Ų | 102.5 | 40% | 0.404 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58 | -46.9 | 170.8 | -174.8 | -93.4 | 0 | 0 | 0 | 112.3 | I327 N332 I338 E339 I340 | I327-Y336 HydrophobicContact CD1-CE2 4.09Å; N332-Y336 PolarHBondContact O-N 3.44Å; N332-Y336 VanDerWaalsContact O-N 3.13Å; Y336-I338 VanDerWaalsContact C-N 3.33Å; Y336-I338 PolarHBondContact O-N 3.39Å; Y336-E339 PolarHBondContact O-N 3.4Å; Y336-I340 HydrophobicContact CD1-CG1 3.92Å; Y336-I340 HydrophobicContact CE1-CD1 3.85Å; Y336-I340 HydrophobicContact CE1-CG1 3.64Å; Y336-I340 WeakPolarHBondContact O-CG1 3.49Å; Y336-I340 PolarHBondContact O-N 2.94Å |
| 337 | D | 64.4 | Low | 59.8 | Low | 88 Ų | 88 | 101.8 Ų | 101.8 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | -180 | -71.9 | -27.6 | 0 | 0 | 0 | 112.4 | K333 E335 S341 | K333-D337 PolarHBondContact O-N 2.9Å; K333-D337 VanDerWaalsContact O-N 3.12Å; E335-D337 PolarHBondContact O-N 3.47Å; D337-S341 WeakPolarHBondContact O-CB 3.44Å; D337-S341 PolarHBondContact O-N 3.27Å |
| 338 | I | 71.3 | Confident | 59.6 | Low | 99 Ų | 99 | 102 Ų | 102 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.9 | -69.1 | 166.8 | 0 | 0 | 0 | 110.7 | T334 E335 Y336 S341 K342 | T334-I338 WeakPolarHBondContact O-CD1 3.45Å; T334-I338 VanDerWaalsContact O-CG1 3.3Å; T334-I338 WeakPolarHBondContact O-CG1 3.35Å; T334-I338 PolarHBondContact O-N 3.48Å; E335-I338 PolarHBondContact O-N 2.89Å; Y336-I338 VanDerWaalsContact C-N 3.33Å; Y336-I338 PolarHBondContact O-N 3.39Å; I338-S341 PolarHBondContact O-N 2.98Å; I338-K342 HydrophobicContact CG2-CD 4.41Å; I338-K342 WeakPolarHBondContact O-CG 3.5Å; I338-K342 PolarHBondContact O-N 3.43Å |
| 339 | E | 65.7 | Low | 59.8 | Low | 90 Ų | 90 | 102.6 Ų | 102.6 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.5 | -39.9 | -179.4 | -165.3 | 157.7 | -154.5 | 0 | 0 | 112.1 | M331 E335 Y336 S341 K342 L343 | M331-E339 VanDerWaalsContact CE-OE2 3.28Å; M331-E339 WeakPolarHBondContact CE-OE2 3.47Å; E335-E339 PolarHBondContact O-N 2.76Å; E335-E339 VanDerWaalsContact O-N 3.07Å; Y336-E339 PolarHBondContact O-N 3.4Å; E339-S341 VanDerWaalsContact C-N 3.33Å; E339-S341 PolarHBondContact O-N 3.45Å; E339-K342 PolarHBondContact O-N 2.89Å; E339-L343 HydrophobicContact CG-CD1 4.43Å; E339-L343 WeakPolarHBondContact O-CB 3.24Å; E339-L343 WeakPolarHBondContact O-CG 3.43Å; E339-L343 PolarHBondContact O-N 2.92Å |
| 340 | I | 63.1 | Low | 59.7 | Low | 72 Ų | 72 | 102.1 Ų | 102.1 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 170.6 | -67.3 | -84.6 | 0 | 0 | 0 | 111 | Y336 L343 C344 | Y336-I340 HydrophobicContact CD1-CG1 3.92Å; Y336-I340 HydrophobicContact CE1-CD1 3.85Å; Y336-I340 HydrophobicContact CE1-CG1 3.64Å; Y336-I340 WeakPolarHBondContact O-CG1 3.49Å; Y336-I340 PolarHBondContact O-N 2.94Å; I340-L343 PolarHBondContact O-N 3.44Å; I340-C344 WeakPolarHBondContact O-CB 3.39Å; I340-C344 PolarHBondContact O-N 3.27Å |
| 341 | S | 64.6 | Low | 59.5 | Low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | D337 I338 E339 C344 A345 | D337-S341 WeakPolarHBondContact O-CB 3.44Å; D337-S341 PolarHBondContact O-N 3.27Å; I338-S341 PolarHBondContact O-N 2.98Å; E339-S341 VanDerWaalsContact C-N 3.33Å; E339-S341 PolarHBondContact O-N 3.45Å; S341-C344 PolarHBondContact O-N 3.41Å; S341-A345 PolarHBondContact O-N 3.34Å |
| 342 | K | 67.4 | Low | 58.9 | Low | 142 Ų | 142 | 103.4 Ų | 103.4 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 174 | -73 | 175.1 | -178.1 | 173.1 | 0 | 111.8 | I338 E339 C344 A345 Q346 | I338-K342 HydrophobicContact CG2-CD 4.41Å; I338-K342 WeakPolarHBondContact O-CG 3.5Å; I338-K342 PolarHBondContact O-N 3.43Å; E339-K342 PolarHBondContact O-N 2.89Å; K342-C344 PolarHBondContact O-N 3.28Å; K342-A345 PolarHBondContact O-N 2.98Å; K342-Q346 WeakPolarHBondContact O-CB 3.45Å; K342-Q346 PolarHBondContact O-N 3.08Å |
| 343 | L | 55.3 | Low | 58.4 | Low | 77 Ų | 77 | 104.5 Ų | 104.5 | 40% | 0.403 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.8 | -78.2 | 161.8 | 0 | 0 | 0 | 112 | E339 I340 Q346 K347 | E339-L343 HydrophobicContact CG-CD1 4.43Å; E339-L343 WeakPolarHBondContact O-CB 3.24Å; E339-L343 WeakPolarHBondContact O-CG 3.43Å; E339-L343 PolarHBondContact O-N 2.92Å; I340-L343 PolarHBondContact O-N 3.44Å; L343-Q346 PolarHBondContact O-N 3.36Å; L343-K347 WeakPolarHBondContact O-CB 3.28Å; L343-K347 WeakPolarHBondContact O-CG 3.45Å; L343-K347 PolarHBondContact O-N 2.87Å |
| 344 | C | 57.3 | Low | 57.8 | Low | 67 Ų | 67 | 100.3 Ų | 100.3 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 174.7 | -91.3 | 0 | 0 | 0 | 0 | 112.5 | I340 S341 K342 Q346 K347 N348 | I340-C344 WeakPolarHBondContact O-CB 3.39Å; I340-C344 PolarHBondContact O-N 3.27Å; S341-C344 PolarHBondContact O-N 3.41Å; K342-C344 PolarHBondContact O-N 3.28Å; C344-Q346 PolarHBondContact O-N 3.35Å; C344-K347 PolarHBondContact O-N 3.39Å; C344-N348 PolarHBondContact O-N 3.01Å; C344-N348 PolarHBondContact O-ND2 2.9Å |
| 345 | A | 57.9 | Low | 57.2 | Low | 54 Ų | 54 | 100 Ų | 100 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | S341 K342 N348 V349 | S341-A345 PolarHBondContact O-N 3.34Å; K342-A345 PolarHBondContact O-N 2.98Å; A345-N348 PolarHBondContact O-N 3.03Å; A345-V349 WeakPolarHBondContact O-CG2 3.48Å; A345-V349 PolarHBondContact O-N 3.14Å |
| 346 | Q | 56.3 | Low | 56.9 | Low | 111 Ų | 111 | 101.6 Ų | 101.6 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 178.1 | -158.4 | 179 | 9.9 | 0 | 0 | 112.2 | K342 L343 C344 V349 K350 | K342-Q346 WeakPolarHBondContact O-CB 3.45Å; K342-Q346 PolarHBondContact O-N 3.08Å; L343-Q346 PolarHBondContact O-N 3.36Å; C344-Q346 PolarHBondContact O-N 3.35Å; Q346-V349 PolarHBondContact O-N 3.48Å; Q346-K350 WeakPolarHBondContact O-CB 3.49Å; Q346-K350 WeakPolarHBondContact O-CG 3.5Å; Q346-K350 PolarHBondContact O-N 3.02Å |
| 347 | K | 51.8 | Low | 56.9 | Low | 150 Ų | 150 | 104.5 Ų | 104.5 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 171.1 | -80 | 179 | 178.8 | 176.3 | 0 | 111.4 | L343 C344 K350 K351 | L343-K347 WeakPolarHBondContact O-CB 3.28Å; L343-K347 WeakPolarHBondContact O-CG 3.45Å; L343-K347 PolarHBondContact O-N 2.87Å; C344-K347 PolarHBondContact O-N 3.39Å; K347-K350 PolarHBondContact O-N 2.98Å; K347-K351 WeakPolarHBondContact O-CB 3.48Å; K347-K351 PolarHBondContact O-N 3.33Å |
| 348 | N | 51.3 | Low | 57.3 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 177.8 | -76.6 | -25.6 | 0 | 0 | 0 | 112.7 | C344 A345 K351 L352 | C344-N348 PolarHBondContact O-N 3.01Å; C344-N348 PolarHBondContact O-ND2 2.9Å; A345-N348 PolarHBondContact O-N 3.03Å; N348-K351 WeakPolarHBondContact O-CB 3.29Å; N348-K351 PolarHBondContact O-N 3.25Å; N348-L352 PolarHBondContact O-N 3.09Å |
| 349 | V | 53.4 | Low | 57.5 | Low | 86 Ų | 86 | 107.1 Ų | 107.1 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | A345 Q346 K351 L352 L353 | A345-V349 WeakPolarHBondContact O-CG2 3.48Å; A345-V349 PolarHBondContact O-N 3.14Å; Q346-V349 PolarHBondContact O-N 3.48Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.41Å; V349-L352 PolarHBondContact O-N 3.38Å; V349-L353 HydrophobicContact CG1-CD1 3.86Å; V349-L353 WeakPolarHBondContact O-CB 3.36Å; V349-L353 PolarHBondContact O-N 3.37Å |
| 350 | K | 48.4 | Very low | 58.1 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 54% | 0.543 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 172.8 | -78.6 | -179.7 | 178.3 | 178 | 0 | 111.2 | Q346 K347 L353 C354 | Q346-K350 WeakPolarHBondContact O-CB 3.49Å; Q346-K350 WeakPolarHBondContact O-CG 3.5Å; Q346-K350 PolarHBondContact O-N 3.02Å; K347-K350 PolarHBondContact O-N 2.98Å; K350-L353 PolarHBondContact O-N 3.47Å; K350-C354 WeakPolarHBondContact O-CB 3.26Å; K350-C354 PolarHBondContact O-N 2.97Å; K350-C354 PolarHBondContact O-SG 3.28Å |
| 351 | K | 48.3 | Very low | 58.8 | Low | 139 Ų | 139 | 107.1 Ų | 107.1 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 176.8 | -166.8 | 174.6 | -176.9 | 178.4 | 0 | 112.1 | K347 N348 V349 C354 L355 | K347-K351 WeakPolarHBondContact O-CB 3.48Å; K347-K351 PolarHBondContact O-N 3.33Å; N348-K351 WeakPolarHBondContact O-CB 3.29Å; N348-K351 PolarHBondContact O-N 3.25Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.41Å; K351-C354 PolarHBondContact O-N 3.5Å; K351-L355 HydrophobicContact CG-CD1 4.37Å; K351-L355 WeakPolarHBondContact O-CB 3.3Å; K351-L355 VanDerWaalsContact O-CG 3.29Å; K351-L355 WeakPolarHBondContact O-CG 3.28Å; K351-L355 PolarHBondContact O-N 2.87Å |
| 352 | L | 42.6 | Very low | 59.5 | Low | 126 Ų | 126 | 107.2 Ų | 107.2 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 175.9 | -117.1 | 116.6 | 0 | 0 | 0 | 112.6 | N348 V349 L355 K356 | N348-L352 PolarHBondContact O-N 3.09Å; V349-L352 PolarHBondContact O-N 3.38Å; L352-L355 PolarHBondContact O-N 3.38Å; L352-K356 WeakPolarHBondContact O-CB 3.34Å; L352-K356 PolarHBondContact O-N 3.24Å |
| 353 | L | 46.5 | Very low | 60.3 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -42.6 | 174 | -102.7 | 134.1 | 0 | 0 | 0 | 111.7 | V349 K350 K356 K357 | V349-L353 HydrophobicContact CG1-CD1 3.86Å; V349-L353 WeakPolarHBondContact O-CB 3.36Å; V349-L353 PolarHBondContact O-N 3.37Å; K350-L353 PolarHBondContact O-N 3.47Å; L353-K356 PolarHBondContact O-N 3.24Å; L353-K357 VanDerWaalsContact O-CB 3.26Å; L353-K357 WeakPolarHBondContact O-CB 3.49Å; L353-K357 PolarHBondContact O-N 2.95Å |
| 354 | C | 54 | Low | 61.7 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 57% | 0.568 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.2 | -45.9 | 173.6 | -75.1 | 0 | 0 | 0 | 0 | 111.8 | K350 K351 K356 K357 E358 | K350-C354 WeakPolarHBondContact O-CB 3.26Å; K350-C354 PolarHBondContact O-N 2.97Å; K350-C354 PolarHBondContact O-SG 3.28Å; K351-C354 PolarHBondContact O-N 3.5Å; C354-K356 PolarHBondContact O-N 3.48Å; C354-K357 PolarHBondContact O-N 3.38Å; C354-E358 WeakPolarHBondContact O-CB 3.46Å; C354-E358 PolarHBondContact O-N 2.94Å |
| 355 | L | 55.3 | Low | 63 | Low | 90 Ų | 90 | 103.6 Ų | 103.6 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 177 | -74.8 | 166.5 | 0 | 0 | 0 | 112.4 | K351 L352 E358 K359 | K351-L355 HydrophobicContact CG-CD1 4.37Å; K351-L355 WeakPolarHBondContact O-CB 3.3Å; K351-L355 VanDerWaalsContact O-CG 3.29Å; K351-L355 WeakPolarHBondContact O-CG 3.28Å; K351-L355 PolarHBondContact O-N 2.87Å; L352-L355 PolarHBondContact O-N 3.38Å; L355-E358 PolarHBondContact O-N 3.21Å; L355-K359 PolarHBondContact O-N 3.27Å; L355-K359 VanDerWaalsContact O-N 3.12Å |
| 356 | K | 58.5 | Low | 64.4 | Low | 133 Ų | 133 | 102.9 Ų | 102.9 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.8 | -42.9 | 176.4 | -168.7 | 173.4 | -178.5 | -178.8 | 0 | 111.3 | L352 L353 C354 E358 K359 H360 | L352-K356 WeakPolarHBondContact O-CB 3.34Å; L352-K356 PolarHBondContact O-N 3.24Å; L353-K356 PolarHBondContact O-N 3.24Å; C354-K356 PolarHBondContact O-N 3.48Å; K356-E358 VanDerWaalsContact C-N 3.27Å; K356-E358 PolarHBondContact O-N 3.39Å; K356-K359 PolarHBondContact O-N 3.45Å; K356-H360 PolarHBondContact O-CD2 2.89Å; K356-H360 PolarHBondContact O-N 3.11Å; K356-H360 VanDerWaalsContact O-N 3.09Å |
| 357 | K | 61.4 | Low | 66 | Low | 164 Ų | 164 | 99.7 Ų | 99.7 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.9 | -39.9 | 174.2 | -167.5 | 173.5 | -177.7 | 176.7 | 0 | 110.8 | L353 C354 L361 | L353-K357 VanDerWaalsContact O-CB 3.26Å; L353-K357 WeakPolarHBondContact O-CB 3.49Å; L353-K357 PolarHBondContact O-N 2.95Å; C354-K357 PolarHBondContact O-N 3.38Å; K357-L361 WeakPolarHBondContact O-CB 3.26Å; K357-L361 PolarHBondContact O-N 2.97Å; K357-L361 VanDerWaalsContact O-N 3.08Å |
| 358 | E | 72 | Confident | 67.7 | Low | 91 Ų | 91 | 95.7 Ų | 95.7 | 43% | 0.425 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 176.6 | -161.9 | -173.6 | 157.5 | 0 | 0 | 112.5 | C354 L355 K356 L361 K362 | C354-E358 WeakPolarHBondContact O-CB 3.46Å; C354-E358 PolarHBondContact O-N 2.94Å; L355-E358 PolarHBondContact O-N 3.21Å; K356-E358 VanDerWaalsContact C-N 3.27Å; K356-E358 PolarHBondContact O-N 3.39Å; E358-L361 PolarHBondContact O-N 3.38Å; E358-K362 VanDerWaalsContact O-CG 3.26Å; E358-K362 WeakPolarHBondContact O-CG 3.45Å; E358-K362 PolarHBondContact O-N 2.92Å; E358-K362 WeakPolarHBondContact OE1-CE 3.37Å; E358-K362 IonicContact OE1-NZ 3.39Å; E358-K362 PolarHBondContact OE1-NZ 3.34Å |
| 359 | K | 75.5 | Confident | 69.6 | Low | 151 Ų | 151 | 91.2 Ų | 91.2 | 66% | 0.657 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.5 | -47.9 | 177.2 | -73.8 | -177 | -178.8 | -178.7 | 0 | 112.9 | L355 K356 L361 K362 N363 | L355-K359 PolarHBondContact O-N 3.27Å; L355-K359 VanDerWaalsContact O-N 3.12Å; K356-K359 PolarHBondContact O-N 3.45Å; K359-L361 VanDerWaalsContact C-N 3.28Å; K359-L361 PolarHBondContact O-N 3.32Å; K359-K362 PolarHBondContact O-N 3.43Å; K359-N363 PolarHBondContact O-N 2.96Å; K359-N363 VanDerWaalsContact O-N 3.11Å |
| 360 | H | 79.4 | Confident | 71.4 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 50% | 0.495 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 177.6 | -75.5 | -68.3 | 0 | 0 | 0 | 111.5 | K356 N363 I364 | K356-H360 PolarHBondContact O-CD2 2.89Å; K356-H360 PolarHBondContact O-N 3.11Å; K356-H360 VanDerWaalsContact O-N 3.09Å; H360-N363 PolarHBondContact O-N 3.48Å; H360-I364 WeakPolarHBondContact O-CG1 3.38Å; H360-I364 PolarHBondContact O-N 3.3Å |
| 361 | L | 77.6 | Confident | 73.6 | Confident | 55 Ų | 55 | 93.2 Ų | 93.2 | 29% | 0.288 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 178.4 | -166 | 61.8 | 0 | 0 | 0 | 112.4 | Y311 K357 E358 K359 N363 I364 I365 | Y311-L361 HydrophobicContact CD1-CD2 3.95Å; Y311-L361 HydrophobicContact CD2-CD2 4.21Å; Y311-L361 HydrophobicContact CE1-CD1 3.56Å; Y311-L361 HydrophobicContact CE1-CD2 3.53Å; Y311-L361 HydrophobicContact CE1-CG 3.83Å; Y311-L361 HydrophobicContact CE2-CD2 3.79Å; Y311-L361 HydrophobicContact CE2-CG 4.09Å; Y311-L361 HydrophobicContact CG-CD2 4.32Å; Y311-L361 VanDerWaalsContact CZ-CD2 3.46Å; Y311-L361 VanDerWaalsContact CZ-CG 3.47Å; Y311-L361 WeakPolarHBondContact OH-CD1 3.49Å; Y311-L361 VanDerWaalsContact OH-CG 3.28Å; Y311-L361 WeakPolarHBondContact OH-CG 3.47Å; K357-L361 WeakPolarHBondContact O-CB 3.26Å; K357-L361 PolarHBondContact O-N 2.97Å; K357-L361 VanDerWaalsContact O-N 3.08Å; E358-L361 PolarHBondContact O-N 3.38Å; K359-L361 VanDerWaalsContact C-N 3.28Å; K359-L361 PolarHBondContact O-N 3.32Å; L361-N363 VanDerWaalsContact C-N 3.29Å; L361-N363 PolarHBondContact O-N 3.28Å; L361-I364 PolarHBondContact O-N 3.38Å; L361-I365 HydrophobicContact CG-CD1 4.21Å; L361-I365 WeakPolarHBondContact O-CD1 3.29Å; L361-I365 VanDerWaalsContact O-CG1 3.26Å; L361-I365 WeakPolarHBondContact O-CG1 3.49Å; L361-I365 PolarHBondContact O-N 3.07Å |
| 362 | K | 80 | Confident | 75.7 | Confident | 81 Ų | 81 | 92 Ų | 92 | 35% | 0.352 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 174.3 | -73 | -179 | 177.8 | 167.8 | 0 | 111.9 | W304 E358 K359 I365 H366 | W304-K362 HydrophobicContact CE3-CG 4.44Å; W304-K362 HydrophobicContact CH2-CB 3.71Å; W304-K362 HydrophobicContact CH2-CD 4.14Å; W304-K362 HydrophobicContact CH2-CG 3.52Å; W304-K362 HydrophobicContact CZ2-CD 4.45Å; W304-K362 HydrophobicContact CZ2-CG 4.29Å; W304-K362 HydrophobicContact CZ3-CB 4.14Å; W304-K362 HydrophobicContact CZ3-CD 4.41Å; W304-K362 HydrophobicContact CZ3-CG 3.6Å; E358-K362 VanDerWaalsContact O-CG 3.26Å; E358-K362 WeakPolarHBondContact O-CG 3.45Å; E358-K362 PolarHBondContact O-N 2.92Å; E358-K362 WeakPolarHBondContact OE1-CE 3.37Å; E358-K362 IonicContact OE1-NZ 3.39Å; E358-K362 PolarHBondContact OE1-NZ 3.34Å; K359-K362 PolarHBondContact O-N 3.43Å; K362-I365 PolarHBondContact O-N 3.04Å; K362-H366 WeakPolarHBondContact O-CB 3.28Å; K362-H366 PolarHBondContact O-N 3.39Å |
| 363 | N | 83.7 | Confident | 78.2 | Confident | 99 Ų | 99 | 88.4 Ų | 88.4 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 177 | -69.7 | -9.6 | 0 | 0 | 0 | 112.3 | K359 H360 L361 H366 A367 | K359-N363 PolarHBondContact O-N 2.96Å; K359-N363 VanDerWaalsContact O-N 3.11Å; H360-N363 PolarHBondContact O-N 3.48Å; L361-N363 VanDerWaalsContact C-N 3.29Å; L361-N363 PolarHBondContact O-N 3.28Å; N363-H366 PolarHBondContact O-N 2.93Å; N363-A367 PolarHBondContact O-N 3.49Å |
| 364 | I | 85.3 | Confident | 80.5 | Confident | 103 Ų | 103 | 86.3 Ų | 86.3 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 176 | -66.7 | 165.9 | 0 | 0 | 0 | 110.6 | H360 L361 H366 A367 V368 | H360-I364 WeakPolarHBondContact O-CG1 3.38Å; H360-I364 PolarHBondContact O-N 3.3Å; L361-I364 PolarHBondContact O-N 3.38Å; I364-H366 VanDerWaalsContact C-N 3.32Å; I364-H366 PolarHBondContact O-N 3.16Å; I364-A367 WeakPolarHBondContact O-CB 3.49Å; I364-A367 PolarHBondContact O-N 3.22Å; I364-V368 WeakPolarHBondContact O-CG2 3.44Å; I364-V368 PolarHBondContact O-N 3.44Å |
| 365 | I | 84.4 | Confident | 82.4 | Confident | 8 Ų | 8 | 86.9 Ų | 86.9 | 4% | 0.041 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 177.1 | -65.9 | 158 | 0 | 0 | 0 | 110.5 | T294 W304 F307 Y311 L361 K362 A367 V368 C369 | T294-I365 HydrophobicContact CG2-CG2 4.16Å; W304-I365 HydrophobicContact CE3-CD1 4.43Å; W304-I365 HydrophobicContact CZ3-CB 4.43Å; W304-I365 HydrophobicContact CZ3-CD1 3.68Å; W304-I365 HydrophobicContact CZ3-CG2 4.26Å; F307-I365 HydrophobicContact CB-CD1 4.32Å; F307-I365 HydrophobicContact CD1-CG1 4.46Å; F307-I365 HydrophobicContact CD1-CG2 3.83Å; F307-I365 HydrophobicContact CD2-CG2 3.92Å; F307-I365 HydrophobicContact CE1-CG2 3.63Å; F307-I365 HydrophobicContact CE2-CG2 3.71Å; F307-I365 HydrophobicContact CG-CD1 4.42Å; F307-I365 HydrophobicContact CG-CG2 3.99Å; F307-I365 HydrophobicContact CZ-CG2 3.57Å; Y311-I365 HydrophobicContact CE2-CD1 3.63Å; Y311-I365 HydrophobicContact CE2-CG1 4.4Å; Y311-I365 WeakPolarHBondContact OH-CD1 3.22Å; Y311-I365 WeakPolarHBondContact OH-CG1 3.38Å; L361-I365 HydrophobicContact CG-CD1 4.21Å; L361-I365 WeakPolarHBondContact O-CD1 3.29Å; L361-I365 VanDerWaalsContact O-CG1 3.26Å; L361-I365 WeakPolarHBondContact O-CG1 3.49Å; L361-I365 PolarHBondContact O-N 3.07Å; K362-I365 PolarHBondContact O-N 3.04Å; I365-A367 VanDerWaalsContact C-N 3.33Å; I365-A367 PolarHBondContact O-N 3.47Å; I365-V368 PolarHBondContact O-N 2.92Å; I365-C369 PolarHBondContact O-N 3.5Å; I365-C369 PolarHBondContact O-SG 3.39Å |
| 366 | H | 87 | Confident | 84.2 | Confident | 39 Ų | 39 | 83.2 Ų | 83.2 | 18% | 0.181 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 177.4 | -175.9 | 69.9 | 0 | 0 | 0 | 111.7 | C291 T294 F295 K362 N363 I364 V368 C369 K370 | C291-H366 PolarHBondContact O-CE1 3.48Å; T294-H366 PolarHBondContact O-ND1 2.8Å; T294-H366 PolarHBondContact OG1-ND1 3.08Å; F295-H366 AromaticContact CD2-CE1 3.99Å; K362-H366 WeakPolarHBondContact O-CB 3.28Å; K362-H366 PolarHBondContact O-N 3.39Å; N363-H366 PolarHBondContact O-N 2.93Å; I364-H366 VanDerWaalsContact C-N 3.32Å; I364-H366 PolarHBondContact O-N 3.16Å; H366-V368 PolarHBondContact O-N 3.35Å; H366-C369 PolarHBondContact O-N 2.84Å; H366-K370 WeakPolarHBondContact O-CB 3.28Å; H366-K370 PolarHBondContact O-N 3.34Å |
| 367 | A | 89.2 | Confident | 85.9 | Confident | 45 Ų | 45 | 82.4 Ų | 82.4 | 37% | 0.372 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N363 I364 I365 K370 M371 | N363-A367 PolarHBondContact O-N 3.49Å; I364-A367 WeakPolarHBondContact O-CB 3.49Å; I364-A367 PolarHBondContact O-N 3.22Å; I365-A367 VanDerWaalsContact C-N 3.33Å; I365-A367 PolarHBondContact O-N 3.47Å; A367-K370 PolarHBondContact O-N 3.23Å; A367-M371 WeakPolarHBondContact O-CG 3.35Å; A367-M371 PolarHBondContact O-N 3.01Å |
| 368 | V | 89.2 | Confident | 87.4 | Confident | 66 Ų | 66 | 83.2 Ų | 83.2 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | I364 I365 H366 K370 M371 K372 | I364-V368 WeakPolarHBondContact O-CG2 3.44Å; I364-V368 PolarHBondContact O-N 3.44Å; I365-V368 PolarHBondContact O-N 2.92Å; H366-V368 PolarHBondContact O-N 3.35Å; V368-K370 VanDerWaalsContact C-N 3.34Å; V368-K370 PolarHBondContact O-N 2.87Å; V368-M371 PolarHBondContact O-N 3.31Å; V368-K372 HydrophobicContact CG1-CD 4.44Å; V368-K372 WeakPolarHBondContact O-CG 3.43Å; V368-K372 PolarHBondContact O-N 2.97Å |
| 369 | C | 89.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 84.9 Ų | 84.9 | 3% | 0.027 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.4 | -73.9 | 0 | 0 | 0 | 0 | 111.9 | I365 H366 K372 Y373 | I365-C369 PolarHBondContact O-N 3.5Å; I365-C369 PolarHBondContact O-SG 3.39Å; H366-C369 PolarHBondContact O-N 2.84Å; C369-K372 PolarHBondContact O-N 3.48Å; C369-Y373 PolarHBondContact O-N 3.34Å |
| 370 | K | 92.3 | Very high | 88.8 | Confident | 118 Ų | 118 | 80 Ų | 80 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.6 | -172 | 176.5 | -178.9 | 179.5 | 0 | 111.8 | H366 A367 V368 Y373 L374 | H366-K370 WeakPolarHBondContact O-CB 3.28Å; H366-K370 PolarHBondContact O-N 3.34Å; A367-K370 PolarHBondContact O-N 3.23Å; V368-K370 VanDerWaalsContact C-N 3.34Å; V368-K370 PolarHBondContact O-N 2.87Å; K370-Y373 PolarHBondContact O-N 2.9Å; K370-L374 WeakPolarHBondContact O-CG 3.41Å; K370-L374 PolarHBondContact O-N 3.46Å |
| 371 | M | 94.1 | Very high | 89.2 | Confident | 135 Ų | 135 | 79.2 Ų | 79.2 | 67% | 0.665 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.6 | -44.8 | 174 | -72.7 | -177.4 | -179.7 | 0 | 0 | 111.8 | A367 V368 Y373 L374 L375 | A367-M371 WeakPolarHBondContact O-CG 3.35Å; A367-M371 PolarHBondContact O-N 3.01Å; V368-M371 PolarHBondContact O-N 3.31Å; M371-Y373 PolarHBondContact O-N 3.45Å; M371-L374 PolarHBondContact O-N 3.33Å; M371-L375 WeakPolarHBondContact O-CB 3.47Å; M371-L375 PolarHBondContact O-N 3Å |
| 372 | K | 93 | Very high | 89.4 | Confident | 114 Ų | 114 | 80.1 Ų | 80.1 | 50% | 0.496 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.9 | -74 | 180 | 178.3 | -179.2 | 0 | 112.3 | V368 C369 L375 A376 | V368-K372 HydrophobicContact CG1-CD 4.44Å; V368-K372 WeakPolarHBondContact O-CG 3.43Å; V368-K372 PolarHBondContact O-N 2.97Å; C369-K372 PolarHBondContact O-N 3.48Å; K372-L375 PolarHBondContact O-N 3.27Å; K372-A376 WeakPolarHBondContact O-CB 3.15Å; K372-A376 PolarHBondContact O-N 3.24Å |
| 373 | Y | 94.2 | Very high | 89.5 | Confident | 50 Ų | 50 | 78 Ų | 78 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 174.7 | 161.5 | -103.6 | 0 | 0 | 0 | 112.1 | L284 L288 C369 K370 M371 L375 A376 R377 | L284-Y373 HydrophobicContact CD1-CD2 4.03Å; L284-Y373 HydrophobicContact CD1-CE2 3.87Å; L288-Y373 HydrophobicContact CB-CD2 4.01Å; L288-Y373 HydrophobicContact CB-CE2 4.15Å; L288-Y373 HydrophobicContact CD1-CD2 4.04Å; L288-Y373 HydrophobicContact CD1-CE2 3.68Å; L288-Y373 HydrophobicContact CG-CE2 4.43Å; C369-Y373 PolarHBondContact O-N 3.34Å; K370-Y373 PolarHBondContact O-N 2.9Å; M371-Y373 PolarHBondContact O-N 3.45Å; Y373-L375 VanDerWaalsContact C-N 3.33Å; Y373-L375 PolarHBondContact O-N 3.4Å; Y373-A376 PolarHBondContact O-N 2.91Å; Y373-R377 WeakPolarHBondContact O-CB 3.4Å; Y373-R377 PolarHBondContact O-N 3.39Å |
| 374 | L | 95.2 | Very high | 89.1 | Confident | 76 Ų | 76 | 81 Ų | 81 | 40% | 0.398 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 178.6 | -69.6 | 174.3 | 0 | 0 | 0 | 111.9 | K370 M371 R377 R378 | K370-L374 WeakPolarHBondContact O-CG 3.41Å; K370-L374 PolarHBondContact O-N 3.46Å; M371-L374 PolarHBondContact O-N 3.33Å; L374-R377 PolarHBondContact O-N 2.97Å; L374-R378 WeakPolarHBondContact O-CG 3.47Å; L374-R378 PolarHBondContact O-N 2.98Å |
| 375 | L | 94.5 | Very high | 88.6 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.8 | -173.1 | 70.9 | 0 | 0 | 0 | 111.5 | M371 K372 Y373 R377 R378 K379 | M371-L375 WeakPolarHBondContact O-CB 3.47Å; M371-L375 PolarHBondContact O-N 3Å; K372-L375 PolarHBondContact O-N 3.27Å; Y373-L375 VanDerWaalsContact C-N 3.33Å; Y373-L375 PolarHBondContact O-N 3.4Å; L375-R377 VanDerWaalsContact C-N 3.3Å; L375-R377 PolarHBondContact O-N 3.15Å; L375-R378 PolarHBondContact O-N 3.26Å; L375-K379 WeakPolarHBondContact O-CG 3.48Å; L375-K379 PolarHBondContact O-N 2.93Å |
| 376 | A | 93.4 | Very high | 87.8 | Confident | 14 Ų | 14 | 84.4 Ų | 84.4 | 12% | 0.116 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L284 A287 K372 Y373 K379 F380 | L284-A376 HydrophobicContact CB-CB 4.49Å; L284-A376 HydrophobicContact CD1-CB 4.26Å; A287-A376 HydrophobicContact CB-CB 4.14Å; K372-A376 WeakPolarHBondContact O-CB 3.15Å; K372-A376 PolarHBondContact O-N 3.24Å; Y373-A376 PolarHBondContact O-N 2.91Å; A376-K379 PolarHBondContact O-N 3.12Å; A376-F380 WeakPolarHBondContact O-CB 3.47Å; A376-F380 PolarHBondContact O-N 3.45Å |
| 377 | R | 94 | Very high | 87 | Confident | 115 Ų | 115 | 87.3 Ų | 87.3 | 43% | 0.434 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 175.4 | -178.8 | 177.6 | 173.6 | 178.2 | -3.3 | 111.6 | L284 Y373 L374 L375 F380 Q381 | L284-R377 HydrophobicContact CD1-CB 3.91Å; Y373-R377 WeakPolarHBondContact O-CB 3.4Å; Y373-R377 PolarHBondContact O-N 3.39Å; L374-R377 PolarHBondContact O-N 2.97Å; L375-R377 VanDerWaalsContact C-N 3.3Å; L375-R377 PolarHBondContact O-N 3.15Å; R377-F380 PolarHBondContact O-N 2.93Å; R377-Q381 WeakPolarHBondContact O-CG 3.14Å; R377-Q381 PolarHBondContact O-N 2.98Å |
| 378 | R | 91.3 | Very high | 86.2 | Confident | 181 Ų | 181 | 88.1 Ų | 88.1 | 68% | 0.683 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.2 | -47.1 | 175.6 | -73 | -177.9 | -172.1 | 177.2 | 2.5 | 111.5 | L374 L375 F380 Q381 K382 | L374-R378 WeakPolarHBondContact O-CG 3.47Å; L374-R378 PolarHBondContact O-N 2.98Å; L375-R378 PolarHBondContact O-N 3.26Å; R378-F380 VanDerWaalsContact C-N 3.35Å; R378-F380 PolarHBondContact O-N 2.78Å; R378-Q381 PolarHBondContact O-N 2.92Å; R378-K382 WeakPolarHBondContact O-CB 3.26Å; R378-K382 PolarHBondContact O-N 3.43Å |
| 379 | K | 88.2 | Confident | 85.8 | Confident | 127 Ų | 127 | 89.5 Ų | 89.5 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58 | -44.9 | 175.7 | -75.2 | -173.6 | 177.6 | -171 | 0 | 111.9 | L375 A376 K382 I383 | L375-K379 WeakPolarHBondContact O-CG 3.48Å; L375-K379 PolarHBondContact O-N 2.93Å; A376-K379 PolarHBondContact O-N 3.12Å; K379-K382 PolarHBondContact O-N 3.38Å; K379-I383 WeakPolarHBondContact O-CD1 3.25Å; K379-I383 WeakPolarHBondContact O-CG1 3.39Å; K379-I383 PolarHBondContact O-N 3.45Å |
| 380 | F | 89.9 | Confident | 85.6 | Confident | 48 Ų | 48 | 97.3 Ų | 97.3 | 21% | 0.211 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 178 | -179.5 | -109.5 | 0 | 0 | 0 | 112.9 | A280 A281 L284 A376 R377 R378 R384 | A280-F380 HydrophobicContact CB-CD2 4.16Å; A281-F380 HydrophobicContact CB-CD2 4.13Å; A281-F380 HydrophobicContact CB-CE2 3.66Å; A281-F380 HydrophobicContact CB-CZ 4.38Å; L284-F380 HydrophobicContact CD2-CB 4.02Å; L284-F380 HydrophobicContact CD2-CD1 3.62Å; L284-F380 HydrophobicContact CD2-CE1 4.3Å; L284-F380 HydrophobicContact CD2-CG 3.88Å; A376-F380 WeakPolarHBondContact O-CB 3.47Å; A376-F380 PolarHBondContact O-N 3.45Å; R377-F380 PolarHBondContact O-N 2.93Å; R378-F380 VanDerWaalsContact C-N 3.35Å; R378-F380 PolarHBondContact O-N 2.78Å; F380-R384 WeakPolarHBondContact O-CG 3.47Å; F380-R384 PolarHBondContact O-N 3.44Å |
| 381 | Q | 87.9 | Confident | 85 | Confident | 91 Ų | 91 | 92.7 Ų | 92.7 | 43% | 0.425 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 174.1 | -75.2 | 174.9 | -41.7 | 0 | 0 | 111.3 | R377 R378 I383 R384 | R377-Q381 WeakPolarHBondContact O-CG 3.14Å; R377-Q381 PolarHBondContact O-N 2.98Å; R378-Q381 PolarHBondContact O-N 2.92Å; Q381-I383 PolarHBondContact O-N 3.08Å; Q381-R384 WeakPolarHBondContact O-CB 3.38Å; Q381-R384 PolarHBondContact O-N 2.98Å |
| 382 | K | 82.2 | Confident | 84.5 | Confident | 74 Ų | 74 | 91.6 Ų | 91.6 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 178.9 | -171.9 | 164.5 | -179.3 | 166.6 | 0 | 113 | R378 K379 R384 E385 D391 E394 | R378-K382 WeakPolarHBondContact O-CB 3.26Å; R378-K382 PolarHBondContact O-N 3.43Å; K379-K382 PolarHBondContact O-N 3.38Å; K382-R384 PolarHBondContact O-N 3.02Å; K382-E385 WeakPolarHBondContact O-CB 3.32Å; K382-E385 PolarHBondContact O-N 3.39Å; K382-D391 WeakPolarHBondContact CE-OD1 3.43Å; K382-D391 IonicContact NZ-OD1 2.58Å; K382-D391 PolarHBondContact NZ-OD1 2.96Å; K382-E394 WeakPolarHBondContact CE-OE2 3.47Å; K382-E394 IonicContact NZ-OE2 3.53Å; K382-E394 PolarHBondContact NZ-OE2 2.71Å |
| 383 | I | 81.3 | Confident | 84.3 | Confident | 37 Ų | 37 | 91.2 Ų | 91.2 | 19% | 0.19 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70 | -15.2 | 178.1 | -61.4 | 161.7 | 0 | 0 | 0 | 112.4 | R276 Q277 A280 K379 Q381 | R276-I383 HydrophobicContact CB-CG2 4.44Å; Q277-I383 HydrophobicContact CB-CG2 4.43Å; Q277-I383 HydrophobicContact CG-CG2 3.62Å; Q277-I383 PolarHBondContact NE2-O 2.69Å; A280-I383 HydrophobicContact CB-CD1 3.37Å; K379-I383 WeakPolarHBondContact O-CD1 3.25Å; K379-I383 WeakPolarHBondContact O-CG1 3.39Å; K379-I383 PolarHBondContact O-N 3.45Å; Q381-I383 PolarHBondContact O-N 3.08Å |
| 384 | R | 76.3 | Confident | 84 | Confident | 160 Ų | 160 | 92.3 Ų | 92.3 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -81.7 | -19.6 | 171.3 | -70.1 | 177.5 | 60.9 | -169.3 | -4.1 | 112.8 | F380 Q381 K382 | F380-R384 WeakPolarHBondContact O-CG 3.47Å; F380-R384 PolarHBondContact O-N 3.44Å; Q381-R384 WeakPolarHBondContact O-CB 3.38Å; Q381-R384 PolarHBondContact O-N 2.98Å; K382-R384 PolarHBondContact O-N 3.02Å |
| 385 | E | 73.3 | Confident | 83.6 | Confident | 115 Ų | 115 | 93.6 Ų | 93.6 | 54% | 0.537 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -73.8 | 153.9 | 173.7 | -62.7 | 172.8 | -180 | 0 | 0 | 109.7 | K382 | K382-E385 WeakPolarHBondContact O-CB 3.32Å; K382-E385 PolarHBondContact O-N 3.39Å |
| 386 | L | 69.1 | Low | 83.5 | Confident | 69 Ų | 69 | 97.1 Ų | 97.1 | 36% | 0.361 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 141.9 | 175.4 | -74.8 | 158.5 | 0 | 0 | 0 | 108.7 | Q267 D388 | Q267-L386 HydrophobicContact CB-CD1 3.98Å; Q267-L386 HydrophobicContact CB-CD2 4.33Å; Q267-L386 HydrophobicContact CG-CD1 4.02Å; L386-D388 PolarHBondContact O-N 3.5Å; L386-D388 VanDerWaalsContact O-N 3.16Å |
| 387 | Y | 69.3 | Low | 83.5 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 118.3 | -176.9 | -89.3 | -122.7 | 0 | 0 | 0 | 110.3 | H273 R276 D391 | H273-Y387 AromaticContact CD2-CE2 3.89Å; H273-Y387 AromaticContact CD2-CZ 3.82Å; R276-Y387 PolarHBondContact NE-OH 3.37Å; Y387-D391 WeakPolarHBondContact CA-OD2 3.39Å |
| 388 | D | 72.2 | Confident | 83.4 | Confident | 63 Ų | 63 | 98.6 Ų | 98.6 | 34% | 0.337 | 45% | 0.449 | S | S | . | . | trans | -108.6 | 160.9 | -173.6 | -167.5 | -7.1 | 0 | 0 | 0 | 110.2 | L386 R390 D391 | L386-D388 PolarHBondContact O-N 3.5Å; L386-D388 VanDerWaalsContact O-N 3.16Å; D388-R390 HydrophobicContact CB-CB 4.4Å; D388-R390 PolarHBondContact O-N 3.41Å; D388-R390 VanDerWaalsContact O-N 3.13Å; D388-R390 IonicContact OD2-CZ 3.84Å; D388-R390 IonicContact OD2-NE 2.73Å; D388-R390 PolarHBondContact OD2-NE 2.76Å; D388-R390 IonicContact OD2-NH2 3.14Å; D388-R390 PolarHBondContact OD2-NH2 3.09Å; D388-D391 PolarHBondContact N-OD2 3.47Å; D388-D391 WeakPolarHBondContact O-CB 3.33Å; D388-D391 PolarHBondContact O-N 3.37Å | ||
| 389 | V | 81.8 | Confident | 83.6 | Confident | 95 Ų | 95 | 92 Ų | 92 | 58% | 0.576 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -55.9 | -30 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | D391 I392 I393 | V389-D391 PolarHBondContact O-N 2.74Å; V389-I392 WeakPolarHBondContact O-CB 3.18Å; V389-I392 PolarHBondContact O-N 3.48Å; V389-I393 HydrophobicContact CG1-CD1 4.31Å; V389-I393 WeakPolarHBondContact O-CG1 3.48Å; V389-I393 PolarHBondContact O-N 3.41Å |
| 390 | R | 83 | Confident | 84 | Confident | 168 Ų | 168 | 90.4 Ų | 90.4 | 63% | 0.634 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56.7 | -32.4 | 171.7 | -69.5 | -175.9 | -72.5 | -171.4 | -2.9 | 113.5 | D388 I393 E394 | D388-R390 HydrophobicContact CB-CB 4.4Å; D388-R390 PolarHBondContact O-N 3.41Å; D388-R390 VanDerWaalsContact O-N 3.13Å; D388-R390 IonicContact OD2-CZ 3.84Å; D388-R390 IonicContact OD2-NE 2.73Å; D388-R390 PolarHBondContact OD2-NE 2.76Å; D388-R390 IonicContact OD2-NH2 3.14Å; D388-R390 PolarHBondContact OD2-NH2 3.09Å; R390-I393 PolarHBondContact O-N 2.92Å; R390-E394 WeakPolarHBondContact O-CB 3.5Å; R390-E394 PolarHBondContact O-N 3Å |
| 391 | D | 81.5 | Confident | 84.2 | Confident | 20 Ų | 20 | 92.7 Ų | 92.7 | 11% | 0.107 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71.9 | -33.7 | 176.5 | -62.3 | -37.5 | 0 | 0 | 0 | 111.7 | K382 Y387 D388 V389 E394 Q395 | K382-D391 WeakPolarHBondContact CE-OD1 3.43Å; K382-D391 IonicContact NZ-OD1 2.58Å; K382-D391 PolarHBondContact NZ-OD1 2.96Å; Y387-D391 WeakPolarHBondContact CA-OD2 3.39Å; D388-D391 PolarHBondContact N-OD2 3.47Å; D388-D391 WeakPolarHBondContact O-CB 3.33Å; D388-D391 PolarHBondContact O-N 3.37Å; V389-D391 PolarHBondContact O-N 2.74Å; D391-E394 PolarHBondContact O-N 3.43Å; D391-Q395 WeakPolarHBondContact O-CB 3.5Å; D391-Q395 VanDerWaalsContact O-CG 3.27Å; D391-Q395 WeakPolarHBondContact O-CG 3.29Å; D391-Q395 PolarHBondContact O-N 3.07Å |
| 392 | I | 83.5 | Confident | 84.5 | Confident | 112 Ų | 112 | 93.5 Ų | 93.5 | 57% | 0.574 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.2 | -45.7 | 173.9 | -56.4 | 175.5 | 0 | 0 | 0 | 109.3 | V389 E394 Q395 Y396 | V389-I392 WeakPolarHBondContact O-CB 3.18Å; V389-I392 PolarHBondContact O-N 3.48Å; I392-E394 PolarHBondContact O-N 2.91Å; I392-Q395 PolarHBondContact O-N 2.97Å; I392-Y396 VanDerWaalsContact O-CB 3.32Å; I392-Y396 WeakPolarHBondContact O-CB 3.47Å; I392-Y396 PolarHBondContact O-N 3.16Å |
| 393 | I | 88.8 | Confident | 85.1 | Confident | 106 Ų | 106 | 95.8 Ų | 95.8 | 54% | 0.544 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 177 | -63 | 168.2 | 0 | 0 | 0 | 110.9 | V389 R390 Y396 S397 | V389-I393 HydrophobicContact CG1-CD1 4.31Å; V389-I393 WeakPolarHBondContact O-CG1 3.48Å; V389-I393 PolarHBondContact O-N 3.41Å; R390-I393 PolarHBondContact O-N 2.92Å; I393-Y396 PolarHBondContact O-N 3.48Å; I393-S397 WeakPolarHBondContact O-CB 3.46Å; I393-S397 PolarHBondContact O-N 3.29Å; I393-S397 PolarHBondContact O-OG 3.22Å |
| 394 | E | 86.7 | Confident | 85.7 | Confident | 74 Ų | 74 | 97.6 Ų | 97.6 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 176.2 | -168.3 | -178.7 | -173.4 | 0 | 0 | 112 | K382 R390 D391 I392 S397 Q398 | K382-E394 WeakPolarHBondContact CE-OE2 3.47Å; K382-E394 IonicContact NZ-OE2 3.53Å; K382-E394 PolarHBondContact NZ-OE2 2.71Å; R390-E394 WeakPolarHBondContact O-CB 3.5Å; R390-E394 PolarHBondContact O-N 3Å; D391-E394 PolarHBondContact O-N 3.43Å; I392-E394 PolarHBondContact O-N 2.91Å; E394-S397 WeakPolarHBondContact CA-OG 3.3Å; E394-S397 PolarHBondContact O-N 2.97Å; E394-S397 PolarHBondContact O-OG 3.35Å; E394-Q398 WeakPolarHBondContact O-CB 3.4Å; E394-Q398 VanDerWaalsContact O-CG 3.31Å; E394-Q398 WeakPolarHBondContact O-CG 3.47Å; E394-Q398 PolarHBondContact O-N 2.78Å; E394-Q398 PolarHBondContact OE1-NE2 3.48Å |
| 395 | Q | 86.8 | Confident | 86.6 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 175.9 | -76.6 | 175.4 | 7.5 | 0 | 0 | 111.8 | D391 I392 Q398 G399 | D391-Q395 WeakPolarHBondContact O-CB 3.5Å; D391-Q395 VanDerWaalsContact O-CG 3.27Å; D391-Q395 WeakPolarHBondContact O-CG 3.29Å; D391-Q395 PolarHBondContact O-N 3.07Å; I392-Q395 PolarHBondContact O-N 2.97Å; Q395-Q398 PolarHBondContact O-N 2.92Å; Q395-G399 PolarHBondContact O-N 3.41Å |
| 396 | Y | 92.8 | Very high | 87.5 | Confident | 170 Ų | 170 | 96.7 Ų | 96.7 | 67% | 0.667 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.4 | -48.1 | 176.5 | -177.5 | -97.9 | 0 | 0 | 0 | 111.2 | I392 I393 Q398 G399 H400 | I392-Y396 VanDerWaalsContact O-CB 3.32Å; I392-Y396 WeakPolarHBondContact O-CB 3.47Å; I392-Y396 PolarHBondContact O-N 3.16Å; I393-Y396 PolarHBondContact O-N 3.48Å; Y396-Q398 PolarHBondContact O-N 3.47Å; Y396-G399 PolarHBondContact O-N 3.37Å; Y396-H400 VanDerWaalsContact O-CB 3.25Å; Y396-H400 WeakPolarHBondContact O-CB 3.29Å; Y396-H400 PolarHBondContact O-N 2.8Å |
| 397 | S | 94.2 | Very high | 88.8 | Confident | 60 Ų | 60 | 97.1 Ų | 97.1 | 42% | 0.42 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | I393 E394 L401 | I393-S397 WeakPolarHBondContact O-CB 3.46Å; I393-S397 PolarHBondContact O-N 3.29Å; I393-S397 PolarHBondContact O-OG 3.22Å; E394-S397 WeakPolarHBondContact CA-OG 3.3Å; E394-S397 PolarHBondContact O-N 2.97Å; E394-S397 PolarHBondContact O-OG 3.35Å; S397-L401 VanDerWaalsContact O-CB 3.26Å; S397-L401 WeakPolarHBondContact O-CB 3Å; S397-L401 PolarHBondContact O-N 3.38Å |
| 398 | Q | 92.3 | Very high | 90 | Very high | 100 Ų | 100 | 97.2 Ų | 97.2 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 174.2 | -72.6 | 178 | 11.7 | 0 | 0 | 112.3 | E394 Q395 Y396 L401 N402 | E394-Q398 WeakPolarHBondContact O-CB 3.4Å; E394-Q398 VanDerWaalsContact O-CG 3.31Å; E394-Q398 WeakPolarHBondContact O-CG 3.47Å; E394-Q398 PolarHBondContact O-N 2.78Å; E394-Q398 PolarHBondContact OE1-NE2 3.48Å; Q395-Q398 PolarHBondContact O-N 2.92Å; Y396-Q398 PolarHBondContact O-N 3.47Å; Q398-L401 PolarHBondContact O-N 2.77Å; Q398-N402 WeakPolarHBondContact O-CB 3.29Å; Q398-N402 PolarHBondContact O-N 3.22Å; Q398-N402 PolarHBondContact O-ND2 3.07Å |
| 399 | G | 93.9 | Very high | 91 | Very high | 41 Ų | 41 | 95.8 Ų | 95.8 | 42% | 0.423 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q395 Y396 N402 M403 | Q395-G399 PolarHBondContact O-N 3.41Å; Y396-G399 PolarHBondContact O-N 3.37Å; G399-N402 PolarHBondContact O-N 3.14Å; G399-M403 WeakPolarHBondContact O-CB 3.3Å; G399-M403 PolarHBondContact O-N 3.4Å |
| 400 | H | 96.4 | Very high | 91.6 | Very high | 94 Ų | 94 | 96.5 Ų | 96.5 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 177 | -174.5 | -101 | 0 | 0 | 0 | 111.8 | Y396 N402 M403 M404 | Y396-H400 VanDerWaalsContact O-CB 3.25Å; Y396-H400 WeakPolarHBondContact O-CB 3.29Å; Y396-H400 PolarHBondContact O-N 2.8Å; H400-N402 PolarHBondContact O-N 2.95Å; H400-M403 PolarHBondContact O-N 2.94Å; H400-M404 VanDerWaalsContact CE1-CE 3.45Å; H400-M404 WeakPolarHBondContact CE1-CE 3.35Å; H400-M404 WeakPolarHBondContact O-CB 3.31Å; H400-M404 PolarHBondContact O-N 3.36Å |
| 401 | L | 94.5 | Very high | 92 | Very high | 97 Ų | 97 | 95.4 Ų | 95.4 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 175.8 | -177.4 | 66.1 | 0 | 0 | 0 | 111.7 | S397 Q398 M403 M404 L405 | S397-L401 VanDerWaalsContact O-CB 3.26Å; S397-L401 WeakPolarHBondContact O-CB 3Å; S397-L401 PolarHBondContact O-N 3.38Å; Q398-L401 PolarHBondContact O-N 2.77Å; L401-M403 PolarHBondContact O-N 3.16Å; L401-M404 PolarHBondContact O-N 2.96Å; L401-L405 HydrophobicContact CG-CD1 4.21Å; L401-L405 WeakPolarHBondContact O-CB 3.25Å; L401-L405 VanDerWaalsContact O-CG 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 3.02Å |
| 402 | N | 94.9 | Very high | 92.5 | Very high | 107 Ų | 107 | 104.5 Ų | 104.5 | 57% | 0.572 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 177.6 | -77.3 | -24.6 | 0 | 0 | 0 | 112.1 | Q398 G399 H400 L405 K406 | Q398-N402 WeakPolarHBondContact O-CB 3.29Å; Q398-N402 PolarHBondContact O-N 3.22Å; Q398-N402 PolarHBondContact O-ND2 3.07Å; G399-N402 PolarHBondContact O-N 3.14Å; H400-N402 PolarHBondContact O-N 2.95Å; N402-L405 PolarHBondContact O-N 3.31Å; N402-K406 WeakPolarHBondContact O-CB 3.42Å; N402-K406 PolarHBondContact O-N 3.03Å |
| 403 | M | 94.6 | Very high | 92.6 | Very high | 122 Ų | 122 | 110.3 Ų | 110.3 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -46.9 | 175.4 | -175.9 | 176.3 | 178.2 | 0 | 0 | 111.2 | G399 H400 L401 L405 K406 I407 | G399-M403 WeakPolarHBondContact O-CB 3.3Å; G399-M403 PolarHBondContact O-N 3.4Å; H400-M403 PolarHBondContact O-N 2.94Å; L401-M403 PolarHBondContact O-N 3.16Å; M403-L405 PolarHBondContact O-N 3.46Å; M403-K406 WeakPolarHBondContact O-CB 3.25Å; M403-K406 PolarHBondContact O-N 3.41Å; M403-K406 VanDerWaalsContact O-N 3.15Å; M403-I407 HydrophobicContact CE-CD1 4.25Å; M403-I407 HydrophobicContact CG-CD1 4.11Å; M403-I407 WeakPolarHBondContact O-CG1 3.44Å; M403-I407 PolarHBondContact O-N 3.07Å |
| 404 | M | 94.2 | Very high | 92.8 | Very high | 76 Ų | 76 | 110.5 Ų | 110.5 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.7 | -172.1 | -171.2 | -67.1 | 0 | 0 | 112 | H400 L401 K406 I407 K408 | H400-M404 VanDerWaalsContact CE1-CE 3.45Å; H400-M404 WeakPolarHBondContact CE1-CE 3.35Å; H400-M404 WeakPolarHBondContact O-CB 3.31Å; H400-M404 PolarHBondContact O-N 3.36Å; L401-M404 PolarHBondContact O-N 2.96Å; M404-K406 VanDerWaalsContact C-N 3.32Å; M404-K406 PolarHBondContact O-N 3.45Å; M404-I407 PolarHBondContact O-N 3.13Å; M404-K408 WeakPolarHBondContact O-CG 3.47Å; M404-K408 PolarHBondContact O-N 2.89Å |
| 405 | L | 93.9 | Very high | 93.1 | Very high | 100 Ų | 100 | 112.4 Ų | 112.4 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 174.9 | -73.6 | 172.7 | 0 | 0 | 0 | 111.9 | L401 N402 M403 G409 | L401-L405 HydrophobicContact CG-CD1 4.21Å; L401-L405 WeakPolarHBondContact O-CB 3.25Å; L401-L405 VanDerWaalsContact O-CG 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 3.02Å; N402-L405 PolarHBondContact O-N 3.31Å; M403-L405 PolarHBondContact O-N 3.46Å; L405-G409 PolarHBondContact O-N 3.39Å |
| 406 | K | 94.1 | Very high | 93.5 | Very high | 155 Ų | 155 | 113 Ų | 113 | 67% | 0.674 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.5 | -43.2 | 175.8 | -168.3 | 176.5 | -178.9 | -177.1 | 0 | 111.6 | N402 M403 M404 G409 I410 | N402-K406 WeakPolarHBondContact O-CB 3.42Å; N402-K406 PolarHBondContact O-N 3.03Å; M403-K406 WeakPolarHBondContact O-CB 3.25Å; M403-K406 PolarHBondContact O-N 3.41Å; M403-K406 VanDerWaalsContact O-N 3.15Å; M404-K406 VanDerWaalsContact C-N 3.32Å; M404-K406 PolarHBondContact O-N 3.45Å; K406-G409 PolarHBondContact O-N 3.16Å; K406-I410 HydrophobicContact CG-CD1 4.38Å; K406-I410 WeakPolarHBondContact O-CG1 3.39Å; K406-I410 PolarHBondContact O-N 2.95Å |
| 407 | I | 95.4 | Very high | 93.5 | Very high | 78 Ų | 78 | 109.6 Ų | 109.6 | 40% | 0.4 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 175.5 | -66 | 166.6 | 0 | 0 | 0 | 110.5 | M403 M404 G409 I410 Q411 | M403-I407 HydrophobicContact CE-CD1 4.25Å; M403-I407 HydrophobicContact CG-CD1 4.11Å; M403-I407 WeakPolarHBondContact O-CG1 3.44Å; M403-I407 PolarHBondContact O-N 3.07Å; M404-I407 PolarHBondContact O-N 3.13Å; I407-G409 VanDerWaalsContact C-N 3.25Å; I407-G409 PolarHBondContact O-N 3.09Å; I407-I410 PolarHBondContact O-N 3.36Å; I407-I410 VanDerWaalsContact O-N 3.08Å; I407-Q411 HydrophobicContact CG2-CG 4.43Å; I407-Q411 WeakPolarHBondContact O-CG 3.06Å; I407-Q411 PolarHBondContact O-N 3.23Å |
| 408 | K | 94.9 | Very high | 93.5 | Very high | 102 Ų | 102 | 112.8 Ų | 112.8 | 44% | 0.443 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.4 | -35.5 | 175.4 | -75.3 | -173.7 | 176.2 | -176.9 | 0 | 112.4 | M404 I410 Q411 R412 | M404-K408 WeakPolarHBondContact O-CG 3.47Å; M404-K408 PolarHBondContact O-N 2.89Å; K408-I410 VanDerWaalsContact C-N 3.34Å; K408-Q411 PolarHBondContact O-N 3.48Å; K408-R412 WeakPolarHBondContact O-CG 3.37Å; K408-R412 PolarHBondContact O-N 3.34Å; K408-R412 VanDerWaalsContact O-N 3.08Å |
| 409 | G | 93.7 | Very high | 93.6 | Very high | 33 Ų | 33 | 113.6 Ų | 113.6 | 34% | 0.34 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.7 | -32.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L405 K406 I407 K413 | L405-G409 PolarHBondContact O-N 3.39Å; K406-G409 PolarHBondContact O-N 3.16Å; I407-G409 VanDerWaalsContact C-N 3.25Å; I407-G409 PolarHBondContact O-N 3.09Å; G409-K413 WeakPolarHBondContact O-CG 3Å |
| 410 | I | 93.5 | Very high | 93.5 | Very high | 109 Ų | 109 | 118.8 Ų | 118.8 | 56% | 0.559 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.4 | -42.2 | 172.7 | -66.7 | 164.3 | 0 | 0 | 0 | 110.5 | K406 I407 K408 R412 K413 | K406-I410 HydrophobicContact CG-CD1 4.38Å; K406-I410 WeakPolarHBondContact O-CG1 3.39Å; K406-I410 PolarHBondContact O-N 2.95Å; I407-I410 PolarHBondContact O-N 3.36Å; I407-I410 VanDerWaalsContact O-N 3.08Å; K408-I410 VanDerWaalsContact C-N 3.34Å; I410-R412 VanDerWaalsContact C-N 3.28Å; I410-R412 PolarHBondContact O-N 3.21Å; I410-K413 PolarHBondContact O-N 3.37Å |
| 411 | Q | 92.3 | Very high | 93.3 | Very high | 145 Ų | 145 | 120.7 Ų | 120.7 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.2 | -24 | 178.5 | -72.1 | 177.1 | -30.8 | 0 | 0 | 114.3 | I407 K408 | I407-Q411 HydrophobicContact CG2-CG 4.43Å; I407-Q411 WeakPolarHBondContact O-CG 3.06Å; I407-Q411 PolarHBondContact O-N 3.23Å; K408-Q411 PolarHBondContact O-N 3.48Å |
| 412 | R | 91.8 | Very high | 93.2 | Very high | 211 Ų | 211 | 122.7 Ų | 122.7 | 80% | 0.796 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -19.1 | 174.9 | -76.2 | -176.2 | -151.8 | -179.5 | 4.1 | 113.5 | K408 I410 | K408-R412 WeakPolarHBondContact O-CG 3.37Å; K408-R412 PolarHBondContact O-N 3.34Å; K408-R412 VanDerWaalsContact O-N 3.08Å; I410-R412 VanDerWaalsContact C-N 3.28Å; I410-R412 PolarHBondContact O-N 3.21Å |
| 413 | K | 85.2 | Confident | 93 | Very high | 234 Ų | 234 | 124.1 Ų | 124.1 | 100% | 1.017 | 58% | 0.582 | S | S | * | * | trans | -87 | 0 | 173.4 | -72.8 | -179.4 | 177.3 | -169.2 | 0 | 108.4 | G409 I410 | G409-K413 WeakPolarHBondContact O-CG 3Å; I410-K413 PolarHBondContact O-N 3.37Å |
Retrieved 413 of 413 residues in 1010.3 ms
(Link to these results)