| 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 | 33.6 | Very low | 31.1 | Very low | 248 Ų | 248 | 143.7 Ų | 143.7 | 100% | 1.222 | 84% | 0.838 | S | S | * | * | 0 | 95 | 0 | -82.9 | -167.7 | 160 | 0 | 0 | 108.8 | |||||
| 2 | Q | 26.3 | Very low | 33 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -141.4 | 132.5 | 162 | -84.6 | 178.3 | -11.3 | 0 | 0 | 104.8 | ||||
| 3 | S | 24.1 | Very low | 35.2 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 146.2 | -170 | 46.1 | 0 | 0 | 0 | 0 | 113.7 | H5 | S3-H5 PolarHBondContact O-N 3.43Š|
| 4 | P | 32.4 | Very low | 37.8 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 120.3 | 175.3 | 31.9 | -29.4 | 0 | 0 | 0 | 109.4 | S6 | P4-S6 PolarHBondContact O-N 3.48Š|
| 5 | H | 27.1 | Very low | 40 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 122.4 | 164 | -80 | -69.2 | 0 | 0 | 0 | 108.9 | S3 H7 | S3-H5 PolarHBondContact O-N 3.43Å; H5-H7 PolarHBondContact O-N 3.2Å |
| 6 | S | 24.7 | Very low | 42 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -53.8 | 115.3 | 170.1 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | P4 T8 | P4-S6 PolarHBondContact O-N 3.48Å; S6-T8 PolarHBondContact O-N 3.22Å | ||
| 7 | H | 29.2 | Very low | 43.8 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | -73.4 | 106.3 | 165.2 | -79.8 | -79.1 | 0 | 0 | 0 | 109.1 | H5 | H5-H7 PolarHBondContact O-N 3.2Š| ||
| 8 | T | 28.9 | Very low | 45.7 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 132.4 | 164 | 20.3 | 0 | 0 | 0 | 0 | 110.1 | S6 | S6-T8 PolarHBondContact O-N 3.22Š|
| 9 | A | 31.5 | Very low | 47.4 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 135 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A11 | A9-A11 PolarHBondContact O-N 3.27Š|
| 10 | P | 42.7 | Very low | 48.9 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 128.9 | 178.7 | 27 | -30.9 | 0 | 0 | 0 | 109.2 | A12 | P10-A12 PolarHBondContact O-N 2.78Š|
| 11 | A | 42.2 | Very low | 50.4 | Low | 95 Ų | 95 | 113 Ų | 113 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 127 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | A9 L13 | A9-A11 PolarHBondContact O-N 3.27Å; A11-L13 PolarHBondContact O-N 3.34Å |
| 12 | A | 53 | Low | 52.6 | Low | 101 Ų | 101 | 103.8 Ų | 103.8 | 84% | 0.835 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 118.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | P10 S14 | P10-A12 PolarHBondContact O-N 2.78Å; A12-S14 PolarHBondContact O-N 2.96Å |
| 13 | L | 62.7 | Low | 55.3 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 38% | 0.382 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 136.7 | 174.2 | -73 | 158.6 | 0 | 0 | 0 | 109.5 | A11 E17 | A11-L13 PolarHBondContact O-N 3.34Å; L13-E17 HydrophobicContact CD2-CB 4.1Å |
| 14 | S | 71.3 | Confident | 58 | Low | 55 Ų | 55 | 96.6 Ų | 96.6 | 39% | 0.385 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 155 | 173.7 | 67.6 | 0 | 0 | 0 | 0 | 111 | A12 Q16 E17 L18 | A12-S14 PolarHBondContact O-N 2.96Å; S14-Q16 PolarHBondContact O-N 3.09Å; S14-E17 WeakPolarHBondContact CB-OE2 2.92Å; S14-E17 PolarHBondContact N-OE2 3.39Å; S14-E17 PolarHBondContact O-N 3.23Å; S14-E17 VanDerWaalsContact O-N 3.1Å; S14-E17 VanDerWaalsContact OG-CG 3.23Å; S14-E17 WeakPolarHBondContact OG-CG 3.49Å; S14-E17 PolarHBondContact OG-N 3.38Å; S14-E17 PolarHBondContact OG-OE2 3.47Å; S14-L18 PolarHBondContact O-N 3.05Å |
| 15 | T | 70.3 | Confident | 60.5 | Low | 128 Ų | 128 | 91.9 Ų | 91.9 | 79% | 0.785 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.5 | -28.7 | -179 | -39.8 | 0 | 0 | 0 | 0 | 112.9 | S19 | T15-S19 PolarHBondContact O-N 3.46Å |
| 16 | Q | 71.9 | Confident | 63.1 | Low | 145 Ų | 145 | 90.1 Ų | 90.1 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -77.3 | -41.7 | 178.9 | -166.2 | 170.4 | -4 | 0 | 0 | 112.1 | S14 L18 S19 Q20 | S14-Q16 PolarHBondContact O-N 3.09Å; Q16-L18 VanDerWaalsContact C-N 3.32Å; Q16-S19 PolarHBondContact O-N 3.08Å; Q16-Q20 WeakPolarHBondContact O-CG 3.49Å; Q16-Q20 PolarHBondContact O-N 2.75Å; Q16-Q20 VanDerWaalsContact O-N 3.17Å |
| 17 | E | 73.3 | Confident | 65.8 | Low | 89 Ų | 89 | 88.2 Ų | 88.2 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 173.5 | -69.9 | 162.6 | 153.6 | 0 | 0 | 111.2 | L13 S14 Q20 E21 | L13-E17 HydrophobicContact CD2-CB 4.1Å; S14-E17 WeakPolarHBondContact CB-OE2 2.92Å; S14-E17 PolarHBondContact N-OE2 3.39Å; S14-E17 PolarHBondContact O-N 3.23Å; S14-E17 VanDerWaalsContact O-N 3.1Å; S14-E17 VanDerWaalsContact OG-CG 3.23Å; S14-E17 WeakPolarHBondContact OG-CG 3.49Å; S14-E17 PolarHBondContact OG-N 3.38Å; S14-E17 PolarHBondContact OG-OE2 3.47Å; E17-Q20 PolarHBondContact O-N 2.73Å; E17-E21 WeakPolarHBondContact O-CG 3.44Å; E17-E21 PolarHBondContact O-N 2.94Å |
| 18 | L | 77.6 | Confident | 68.1 | Low | 43 Ų | 43 | 79.7 Ų | 79.7 | 23% | 0.225 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 177.8 | -167.5 | 69 | 0 | 0 | 0 | 112.6 | S14 Q16 Q20 E21 I22 L49 S52 V53 | S14-L18 PolarHBondContact O-N 3.05Å; Q16-L18 VanDerWaalsContact C-N 3.32Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.16Å; L18-E21 PolarHBondContact O-N 2.9Å; L18-I22 HydrophobicContact CG-CD1 4.31Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.33Å; L18-I22 PolarHBondContact O-N 3.39Å; L18-L49 HydrophobicContact CD1-CD2 4.19Å; L18-S52 WeakPolarHBondContact CD1-OG 3.38Å; L18-V53 HydrophobicContact CD1-CG2 3.59Å; L18-V53 HydrophobicContact CD2-CG2 3.85Å; L18-V53 HydrophobicContact CG-CG2 4.04Å |
| 19 | S | 77.5 | Confident | 70.5 | Confident | 55 Ų | 55 | 75.7 Ų | 75.7 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -36.2 | 175.2 | -176 | 0 | 0 | 0 | 0 | 111.9 | T15 Q16 K23 | T15-S19 PolarHBondContact O-N 3.46Å; Q16-S19 PolarHBondContact O-N 3.08Å; S19-K23 WeakPolarHBondContact O-CG 3.32Å; S19-K23 PolarHBondContact O-N 3.34Å; S19-K23 VanDerWaalsContact O-N 3.09Å |
| 20 | Q | 78.9 | Confident | 72.6 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 35% | 0.35 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.3 | -45.5 | 175.4 | -71.8 | 172.2 | -3.8 | 0 | 0 | 112 | Q16 E17 L18 I22 K23 S24 | Q16-Q20 WeakPolarHBondContact O-CG 3.49Å; Q16-Q20 PolarHBondContact O-N 2.75Å; Q16-Q20 VanDerWaalsContact O-N 3.17Å; E17-Q20 PolarHBondContact O-N 2.73Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.16Å; Q20-I22 VanDerWaalsContact C-N 3.34Å; Q20-I22 PolarHBondContact O-N 3.21Å; Q20-K23 PolarHBondContact O-N 2.95Å; Q20-S24 WeakPolarHBondContact O-CB 3.46Å; Q20-S24 PolarHBondContact O-N 3.45Å; Q20-S24 PolarHBondContact O-OG 3.17Å |
| 21 | E | 79 | Confident | 73.7 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 175.9 | -71.7 | -79.8 | -163.2 | 0 | 0 | 111.6 | E17 L18 S24 F25 C45 R48 L49 | E17-E21 WeakPolarHBondContact O-CG 3.44Å; E17-E21 PolarHBondContact O-N 2.94Å; L18-E21 PolarHBondContact O-N 2.9Å; E21-S24 PolarHBondContact O-N 2.8Å; E21-F25 WeakPolarHBondContact O-CB 3.28Å; E21-F25 PolarHBondContact O-N 2.95Å; E21-C45 PolarHBondContact O-SG 3.27Å; E21-C45 VanDerWaalsContact O-SG 3.39Å; E21-C45 PolarHBondContact OE2-SG 3.16Å; E21-R48 WeakPolarHBondContact OE1-CD 3.25Å; E21-R48 IonicContact OE1-CZ 3.51Å; E21-R48 IonicContact OE1-NE 3.6Å; E21-R48 IonicContact OE1-NH1 3.76Å; E21-R48 PolarHBondContact OE1-NH1 3.07Å; E21-L49 HydrophobicContact CB-CD2 3.86Å; E21-L49 HydrophobicContact CB-CG 4.4Å |
| 22 | I | 81.2 | Confident | 74.8 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.2 | -67.7 | 168.7 | 0 | 0 | 0 | 111.3 | L18 Q20 F25 I26 L49 | L18-I22 HydrophobicContact CG-CD1 4.31Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.33Å; L18-I22 PolarHBondContact O-N 3.39Å; Q20-I22 VanDerWaalsContact C-N 3.34Å; Q20-I22 PolarHBondContact O-N 3.21Å; I22-F25 PolarHBondContact O-N 2.83Å; I22-I26 HydrophobicContact CG2-CD1 3.83Å; I22-I26 WeakPolarHBondContact O-CG1 3.36Å; I22-I26 PolarHBondContact O-N 3.41Å; I22-I26 VanDerWaalsContact O-N 3.09Å; I22-L49 HydrophobicContact CG1-CD2 3.66Å |
| 23 | K | 81.4 | Confident | 75.5 | Confident | 131 Ų | 131 | 72.3 Ų | 72.3 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 177.4 | -75.5 | 177.1 | -175.9 | -179.1 | 0 | 111.7 | S19 Q20 F25 I26 S27 A31 | S19-K23 WeakPolarHBondContact O-CG 3.32Å; S19-K23 PolarHBondContact O-N 3.34Å; S19-K23 VanDerWaalsContact O-N 3.09Å; Q20-K23 PolarHBondContact O-N 2.95Å; K23-F25 VanDerWaalsContact C-N 3.32Å; K23-F25 PolarHBondContact O-N 2.62Å; K23-I26 PolarHBondContact O-N 3.5Å; K23-S27 WeakPolarHBondContact O-CB 3.34Å; K23-S27 PolarHBondContact O-N 3.02Å; K23-S27 PolarHBondContact O-OG 3.25Å; K23-A31 HydrophobicContact CB-CB 4.45Å |
| 24 | S | 81.9 | Confident | 75.9 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.063 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 176.4 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | Q20 E21 S27 G28 V29 A31 | Q20-S24 WeakPolarHBondContact O-CB 3.46Å; Q20-S24 PolarHBondContact O-N 3.45Å; Q20-S24 PolarHBondContact O-OG 3.17Å; E21-S24 PolarHBondContact O-N 2.8Å; S24-S27 PolarHBondContact O-OG 3.07Å; S24-G28 WeakPolarHBondContact O-CA 3.37Å; S24-G28 PolarHBondContact O-N 2.98Å; S24-V29 WeakPolarHBondContact CA-O 3.41Å; S24-A31 WeakPolarHBondContact OG-CB 3.34Å; S24-A31 PolarHBondContact OG-N 3.38Å |
| 25 | F | 84.7 | Confident | 76.3 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 13% | 0.127 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 177.1 | 178.6 | -106.2 | 0 | 0 | 0 | 112.9 | E21 I22 K23 H42 A46 L49 A59 V60 H63 | E21-F25 WeakPolarHBondContact O-CB 3.28Å; E21-F25 PolarHBondContact O-N 2.95Å; I22-F25 PolarHBondContact O-N 2.83Å; K23-F25 VanDerWaalsContact C-N 3.32Å; K23-F25 PolarHBondContact O-N 2.62Å; F25-H42 AromaticContact CD2-CD2 3.81Å; F25-H42 AromaticContact CD2-NE2 3.61Å; F25-H42 PolarHBondContact O-NE2 2.96Å; F25-A46 HydrophobicContact CD2-CB 3.89Å; F25-A46 HydrophobicContact CE2-CB 3.55Å; F25-L49 HydrophobicContact CB-CD1 3.43Å; F25-L49 VanDerWaalsContact CB-CD1 3.43Å; F25-L49 HydrophobicContact CD1-CD1 4.03Å; F25-L49 HydrophobicContact CD2-CD1 4.23Å; F25-L49 HydrophobicContact CG-CD1 3.63Å; F25-A59 HydrophobicContact CE1-CB 4.46Å; F25-V60 HydrophobicContact CE1-CG2 4.36Å; F25-V60 HydrophobicContact CE2-CG2 4.39Å; F25-V60 HydrophobicContact CZ-CG2 4.04Å; F25-H63 HydrophobicContact CE2-CB 3.87Å; F25-H63 AromaticContact CE2-CD2 3.78Å; F25-H63 AromaticContact CE2-CG 3.76Å; F25-H63 HydrophobicContact CZ-CB 3.73Å |
| 26 | I | 82.4 | Confident | 76.7 | Confident | 135 Ų | 135 | 78.8 Ų | 78.8 | 69% | 0.692 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -73.7 | -40.9 | -179.5 | -64.8 | 168.3 | 0 | 0 | 0 | 111.4 | I22 K23 | I22-I26 HydrophobicContact CG2-CD1 3.83Å; I22-I26 WeakPolarHBondContact O-CG1 3.36Å; I22-I26 PolarHBondContact O-N 3.41Å; I22-I26 VanDerWaalsContact O-N 3.09Å; K23-I26 PolarHBondContact O-N 3.5Å |
| 27 | S | 80.2 | Confident | 77 | Confident | 67 Ų | 67 | 73.2 Ų | 73.2 | 47% | 0.469 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -79.4 | -22.8 | -177.4 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | K23 S24 V29 | K23-S27 WeakPolarHBondContact O-CB 3.34Å; K23-S27 PolarHBondContact O-N 3.02Å; K23-S27 PolarHBondContact O-OG 3.25Å; S24-S27 PolarHBondContact O-OG 3.07Å; S27-V29 PolarHBondContact O-N 3.09Å; S27-V29 PolarHBondContact OG-N 3.12Å; S27-V29 VanDerWaalsContact OG-N 3.12Å; S27-V29 PolarHBondContact OG-O 3.41Å |
| 28 | G | 77.9 | Confident | 77.3 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 14% | 0.144 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 16.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113 | S24 L37 | S24-G28 WeakPolarHBondContact O-CA 3.37Å; S24-G28 PolarHBondContact O-N 2.98Å; G28-L37 PolarHBondContact O-N 3.23Å |
| 29 | V | 78.4 | Confident | 77.3 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 29% | 0.285 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -132 | 134.6 | -175.4 | 180 | 0 | 0 | 0 | 0 | 107.9 | S24 S27 A31 G34 R35 | S24-V29 WeakPolarHBondContact CA-O 3.41Å; S27-V29 PolarHBondContact O-N 3.09Å; S27-V29 PolarHBondContact OG-N 3.12Å; S27-V29 VanDerWaalsContact OG-N 3.12Å; S27-V29 PolarHBondContact OG-O 3.41Å; V29-A31 PolarHBondContact O-N 3.42Å; V29-A31 VanDerWaalsContact O-N 3.09Å; V29-G34 WeakPolarHBondContact CG1-O 3.21Å; V29-R35 CarbonylContact C-O 3.59Å; V29-R35 WeakPolarHBondContact CA-O 3.37Å; V29-R35 WeakPolarHBondContact CG1-O 3.38Å |
| 30 | D | 76.1 | Confident | 77.4 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | trans | -57.2 | 115.6 | 175.8 | -174.6 | -20.4 | 0 | 0 | 0 | 109.9 | V32 Q33 G34 R35 L37 | D30-V32 PolarHBondContact O-N 3.09Å; D30-V32 VanDerWaalsContact O-N 3.14Å; D30-V32 PolarHBondContact OD1-N 2.86Å; D30-Q33 HydrophobicContact CB-CB 4.21Å; D30-Q33 PolarHBondContact O-N 2.93Å; D30-Q33 PolarHBondContact OD1-N 3.48Å; D30-Q33 WeakPolarHBondContact OD2-CG 3.49Å; D30-G34 WeakPolarHBondContact O-CA 3.39Å; D30-G34 PolarHBondContact O-N 2.92Å; D30-R35 PolarHBondContact N-O 3.37Å; D30-L37 HydrophobicContact CB-CD2 3.92Å | ||
| 31 | A | 65.5 | Low | 77.4 | Confident | 53 Ų | 53 | 72.7 Ų | 72.7 | 44% | 0.438 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K23 S24 V29 | K23-A31 HydrophobicContact CB-CB 4.45Å; S24-A31 WeakPolarHBondContact OG-CB 3.34Å; S24-A31 PolarHBondContact OG-N 3.38Å; V29-A31 PolarHBondContact O-N 3.42Å; V29-A31 VanDerWaalsContact O-N 3.09Å |
| 32 | V | 65.6 | Low | 77.6 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 65% | 0.648 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -39.1 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | D30 | D30-V32 PolarHBondContact O-N 3.09Å; D30-V32 VanDerWaalsContact O-N 3.14Å; D30-V32 PolarHBondContact OD1-N 2.86Å |
| 33 | Q | 67.3 | Low | 77.7 | Confident | 143 Ų | 143 | 70.3 Ų | 70.3 | 67% | 0.668 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -9.6 | -172.9 | -59.6 | -176.2 | 5 | 0 | 0 | 114.5 | D30 R35 | D30-Q33 HydrophobicContact CB-CB 4.21Å; D30-Q33 PolarHBondContact O-N 2.93Å; D30-Q33 PolarHBondContact OD1-N 3.48Å; D30-Q33 WeakPolarHBondContact OD2-CG 3.49Å; Q33-R35 PolarHBondContact O-N 2.96Å; Q33-R35 VanDerWaalsContact O-N 3.16Å |
| 34 | G | 71.9 | Confident | 77.8 | Confident | 61 Ų | 61 | 68 Ų | 68 | 63% | 0.629 | 36% | 0.364 | S | S | * | . | trans | 66.7 | 10.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V29 D30 | V29-G34 WeakPolarHBondContact CG1-O 3.21Å; D30-G34 WeakPolarHBondContact O-CA 3.39Å; D30-G34 PolarHBondContact O-N 2.92Å | ||
| 35 | R | 80.1 | Confident | 77.9 | Confident | 159 Ų | 159 | 67.9 Ų | 67.9 | 60% | 0.6 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 137.4 | -177.8 | -178.4 | -177.5 | 171.4 | -178.4 | -1.9 | 110.9 | V29 D30 Q33 L37 | V29-R35 CarbonylContact C-O 3.59Å; V29-R35 WeakPolarHBondContact CA-O 3.37Å; V29-R35 WeakPolarHBondContact CG1-O 3.38Å; D30-R35 PolarHBondContact N-O 3.37Å; Q33-R35 PolarHBondContact O-N 2.96Å; Q33-R35 VanDerWaalsContact O-N 3.16Å; R35-L37 PolarHBondContact O-N 3.19Å |
| 36 | K | 77.8 | Confident | 77.9 | Confident | 172 Ų | 172 | 66.5 Ų | 66.5 | 75% | 0.748 | 36% | 0.356 | S | S | * | . | B | Isolated β-bridge | trans | -58.5 | 125 | 171.4 | -171.3 | 177.7 | -179.2 | -178.8 | 0 | 109.8 | ||
| 37 | L | 78.7 | Confident | 77.9 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 137 | 180 | -64.2 | 169.5 | 0 | 0 | 0 | 109.5 | G28 D30 R35 E41 H42 | G28-L37 PolarHBondContact O-N 3.23Å; D30-L37 HydrophobicContact CB-CD2 3.92Å; R35-L37 PolarHBondContact O-N 3.19Å; L37-E41 HydrophobicContact CB-CB 4.29Å; L37-E41 HydrophobicContact CD2-CB 3.93Å; L37-H42 HydrophobicContact CB-CB 4.07Å; L37-H42 HydrophobicContact CD1-CB 4.4Å |
| 38 | S | 79.4 | Confident | 78 | Confident | 52 Ų | 52 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 157.4 | 163.7 | 62.6 | 0 | 0 | 0 | 0 | 110.1 | R40 E41 H42 | S38-R40 PolarHBondContact O-N 3.36Å; S38-E41 WeakPolarHBondContact CB-OE2 3.2Å; S38-E41 PolarHBondContact N-OE2 3.18Å; S38-E41 PolarHBondContact O-N 3.35Å; S38-E41 VanDerWaalsContact OG-CG 3.28Å; S38-E41 WeakPolarHBondContact OG-CG 3.38Å; S38-E41 PolarHBondContact OG-N 3.29Å; S38-E41 PolarHBondContact OG-OE2 3.12Å; S38-H42 WeakPolarHBondContact O-CB 3.48Å; S38-H42 PolarHBondContact O-N 3.01Å |
| 39 | V | 77.4 | Confident | 78.2 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -52.1 | -34.1 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 111 | A43 V67 L93 | V39-A43 VanDerWaalsContact O-CB 3.23Å; V39-A43 WeakPolarHBondContact O-CB 3.5Å; V39-A43 PolarHBondContact O-N 3.14Å; V39-V67 HydrophobicContact CG1-CG1 4.34Å; V39-V67 HydrophobicContact CG1-CG2 4.27Å; V39-L93 HydrophobicContact CG1-CD2 4.09Å |
| 40 | R | 79.2 | Confident | 78.5 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -49 | 174.3 | -172.6 | 163.1 | -175.1 | 139.3 | -2.8 | 114.3 | S38 H42 R44 N92 D95 I96 | S38-R40 PolarHBondContact O-N 3.36Å; R40-H42 VanDerWaalsContact C-N 3.35Å; R40-R44 VanDerWaalsContact NH2-NH2 3.1Å; R40-R44 WeakPolarHBondContact O-CB 3.39Å; R40-R44 WeakPolarHBondContact O-CG 3.33Å; R40-R44 PolarHBondContact O-N 3.38Å; R40-R44 VanDerWaalsContact O-N 3.08Å; R40-N92 PolarHBondContact NH1-O 3.28Å; R40-D95 IonicContact CZ-OD2 3.95Å; R40-D95 IonicContact NH1-OD2 2.76Å; R40-D95 PolarHBondContact NH1-OD2 2.79Å; R40-D95 IonicContact NH2-OD2 3.77Å; R40-D95 PolarHBondContact NH2-OD2 2.64Å; R40-I96 VanDerWaalsContact CA-CD1 3.41Å; R40-I96 HydrophobicContact CB-CD1 3.58Å; R40-I96 HydrophobicContact CB-CG1 4.27Å; R40-I96 HydrophobicContact CG-CD1 3.71Å; R40-I96 HydrophobicContact CG-CG1 3.82Å |
| 41 | E | 79.5 | Confident | 78.6 | Confident | 83 Ų | 83 | 65 Ų | 65 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.5 | -36.5 | -178.9 | -68 | 156.7 | 152.7 | 0 | 0 | 110.8 | L37 S38 R44 C45 | L37-E41 HydrophobicContact CB-CB 4.29Å; L37-E41 HydrophobicContact CD2-CB 3.93Å; S38-E41 WeakPolarHBondContact CB-OE2 3.2Å; S38-E41 PolarHBondContact N-OE2 3.18Å; S38-E41 PolarHBondContact O-N 3.35Å; S38-E41 VanDerWaalsContact OG-CG 3.28Å; S38-E41 WeakPolarHBondContact OG-CG 3.38Å; S38-E41 PolarHBondContact OG-N 3.29Å; S38-E41 PolarHBondContact OG-OE2 3.12Å; E41-R44 PolarHBondContact O-N 2.8Å; E41-C45 WeakPolarHBondContact O-CB 3.18Å; E41-C45 PolarHBondContact O-N 2.91Å |
| 42 | H | 83.5 | Confident | 79.2 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 176.8 | -161.6 | -178 | 0 | 0 | 0 | 111.9 | F25 L37 S38 R40 R44 C45 A46 H63 | F25-H42 AromaticContact CD2-CD2 3.81Å; F25-H42 AromaticContact CD2-NE2 3.61Å; F25-H42 PolarHBondContact O-NE2 2.96Å; L37-H42 HydrophobicContact CB-CB 4.07Å; L37-H42 HydrophobicContact CD1-CB 4.4Å; S38-H42 WeakPolarHBondContact O-CB 3.48Å; S38-H42 PolarHBondContact O-N 3.01Å; R40-H42 VanDerWaalsContact C-N 3.35Å; H42-R44 PolarHBondContact O-N 3.46Å; H42-C45 WeakPolarHBondContact O-CB 3.37Å; H42-C45 PolarHBondContact O-N 3.09Å; H42-A46 WeakPolarHBondContact O-CB 3.17Å; H42-A46 PolarHBondContact O-N 3Å; H42-H63 AromaticContact CD2-CE1 3.99Å; H42-H63 AromaticContact CD2-NE2 3.83Å; H42-H63 AromaticContact CE1-CE1 3.29Å; H42-H63 PolarHBondContact CE1-CE1 2.96Å; H42-H63 AromaticContact CE1-ND1 3.82Å; H42-H63 AromaticContact CE1-NE2 3.9Å; H42-H63 AromaticContact CG-CE1 3.63Å; H42-H63 AromaticContact CG-NE2 3.57Å; H42-H63 AromaticContact ND1-CE1 3.18Å; H42-H63 PolarHBondContact ND1-CE1 2.83Å; H42-H63 AromaticContact ND1-NE2 3.65Å; H42-H63 AromaticContact NE2-CE1 3.78Å |
| 43 | A | 82.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V39 A46 V47 V67 I96 | V39-A43 VanDerWaalsContact O-CB 3.23Å; V39-A43 WeakPolarHBondContact O-CB 3.5Å; V39-A43 PolarHBondContact O-N 3.14Å; A43-A46 WeakPolarHBondContact O-CB 3.44Å; A43-A46 PolarHBondContact O-N 3.32Å; A43-V47 VanDerWaalsContact O-CG2 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.49Å; A43-V47 PolarHBondContact O-N 3.23Å; A43-V67 HydrophobicContact CB-CG2 4.31Å; A43-I96 HydrophobicContact CB-CG2 3.53Å |
| 44 | R | 83.3 | Confident | 80.3 | Confident | 83 Ų | 83 | 57.9 Ų | 57.9 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 175.7 | -77.4 | 175.8 | 168.5 | -179.7 | -5.6 | 112.7 | R40 E41 H42 A46 V47 R48 E99 | R40-R44 VanDerWaalsContact NH2-NH2 3.1Å; R40-R44 WeakPolarHBondContact O-CB 3.39Å; R40-R44 WeakPolarHBondContact O-CG 3.33Å; R40-R44 PolarHBondContact O-N 3.38Å; R40-R44 VanDerWaalsContact O-N 3.08Å; E41-R44 PolarHBondContact O-N 2.8Å; H42-R44 PolarHBondContact O-N 3.46Å; R44-A46 VanDerWaalsContact C-N 3.33Å; R44-V47 PolarHBondContact O-N 3.44Å; R44-R48 WeakPolarHBondContact O-CG 3.17Å; R44-R48 PolarHBondContact O-N 3.18Å; R44-E99 IonicContact CZ-OE2 3.96Å; R44-E99 IonicContact NE-OE1 3.84Å; R44-E99 IonicContact NE-OE2 3.99Å; R44-E99 PolarHBondContact NE-OE2 3.42Å; R44-E99 IonicContact NH2-OE2 2.94Å; R44-E99 PolarHBondContact NH2-OE2 2.99Å |
| 45 | C | 83.6 | Confident | 80.7 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 170 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | E21 E41 H42 V47 R48 L49 | E21-C45 PolarHBondContact O-SG 3.27Å; E21-C45 VanDerWaalsContact O-SG 3.39Å; E21-C45 PolarHBondContact OE2-SG 3.16Å; E41-C45 WeakPolarHBondContact O-CB 3.18Å; E41-C45 PolarHBondContact O-N 2.91Å; H42-C45 WeakPolarHBondContact O-CB 3.37Å; H42-C45 PolarHBondContact O-N 3.09Å; C45-V47 PolarHBondContact O-N 3.31Å; C45-R48 PolarHBondContact O-N 3.47Å; C45-L49 WeakPolarHBondContact O-CG 3.46Å; C45-L49 PolarHBondContact O-N 3Å |
| 46 | A | 84.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | F25 H42 A43 R44 R48 L49 L50 V60 | F25-A46 HydrophobicContact CD2-CB 3.89Å; F25-A46 HydrophobicContact CE2-CB 3.55Å; H42-A46 WeakPolarHBondContact O-CB 3.17Å; H42-A46 PolarHBondContact O-N 3Å; A43-A46 WeakPolarHBondContact O-CB 3.44Å; A43-A46 PolarHBondContact O-N 3.32Å; R44-A46 VanDerWaalsContact C-N 3.33Å; A46-R48 PolarHBondContact O-N 3.17Å; A46-L49 PolarHBondContact O-N 3.33Å; A46-L50 PolarHBondContact O-N 3.48Å; A46-V60 HydrophobicContact CB-CG1 3.92Å; A46-V60 HydrophobicContact CB-CG2 4.46Å; A46-V60 WeakPolarHBondContact O-CG1 3.3Å |
| 47 | V | 83.1 | Confident | 81.1 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 112.2 | A43 R44 C45 L50 R51 V100 V103 | A43-V47 VanDerWaalsContact O-CG2 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.49Å; A43-V47 PolarHBondContact O-N 3.23Å; R44-V47 PolarHBondContact O-N 3.44Å; C45-V47 PolarHBondContact O-N 3.31Å; V47-L50 WeakPolarHBondContact O-CB 3.21Å; V47-L50 PolarHBondContact O-N 3.19Å; V47-R51 PolarHBondContact O-N 3.27Å; V47-V100 HydrophobicContact CG2-CG2 3.66Å; V47-V103 HydrophobicContact CG1-CB 4.16Å; V47-V103 HydrophobicContact CG1-CG1 4.15Å; V47-V103 HydrophobicContact CG1-CG2 3.46Å; V47-V103 VanDerWaalsContact CG1-CG2 3.46Å |
| 48 | R | 82.5 | Confident | 81.2 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 47% | 0.472 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 173.8 | -69.8 | 173.8 | -163 | 167.9 | 3.8 | 112 | E21 R44 C45 A46 L50 R51 S52 | E21-R48 WeakPolarHBondContact OE1-CD 3.25Å; E21-R48 IonicContact OE1-CZ 3.51Å; E21-R48 IonicContact OE1-NE 3.6Å; E21-R48 IonicContact OE1-NH1 3.76Å; E21-R48 PolarHBondContact OE1-NH1 3.07Å; R44-R48 WeakPolarHBondContact O-CG 3.17Å; R44-R48 PolarHBondContact O-N 3.18Å; C45-R48 PolarHBondContact O-N 3.47Å; A46-R48 PolarHBondContact O-N 3.17Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-R51 PolarHBondContact O-N 3.32Å; R48-S52 PolarHBondContact O-N 2.78Å; R48-S52 PolarHBondContact O-OG 3.33Å |
| 49 | L | 82.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -36 | 174.7 | -69.3 | 176.8 | 0 | 0 | 0 | 112 | L18 E21 I22 F25 C45 A46 R51 S52 V53 V60 | L18-L49 HydrophobicContact CD1-CD2 4.19Å; E21-L49 HydrophobicContact CB-CD2 3.86Å; E21-L49 HydrophobicContact CB-CG 4.4Å; I22-L49 HydrophobicContact CG1-CD2 3.66Å; F25-L49 HydrophobicContact CB-CD1 3.43Å; F25-L49 VanDerWaalsContact CB-CD1 3.43Å; F25-L49 HydrophobicContact CD1-CD1 4.03Å; F25-L49 HydrophobicContact CD2-CD1 4.23Å; F25-L49 HydrophobicContact CG-CD1 3.63Å; C45-L49 WeakPolarHBondContact O-CG 3.46Å; C45-L49 PolarHBondContact O-N 3Å; A46-L49 PolarHBondContact O-N 3.33Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.13Å; L49-S52 PolarHBondContact O-N 3.01Å; L49-V53 HydrophobicContact CD2-CG2 4.47Å; L49-V53 PolarHBondContact O-N 3.18Å; L49-V60 HydrophobicContact CB-CG2 4.12Å |
| 50 | L | 83.2 | Confident | 81.8 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -36 | 175.7 | -163 | 64.9 | 0 | 0 | 0 | 112.4 | A46 V47 R48 R57 V60 L104 F107 W115 | A46-L50 PolarHBondContact O-N 3.48Å; V47-L50 WeakPolarHBondContact O-CB 3.21Å; V47-L50 PolarHBondContact O-N 3.19Å; R48-L50 VanDerWaalsContact C-N 3.34Å; L50-R57 HydrophobicContact CD1-CB 4.23Å; L50-R57 HydrophobicContact CD1-CG 3.95Å; L50-V60 HydrophobicContact CB-CG1 4.03Å; L50-V60 HydrophobicContact CD1-CB 4.25Å; L50-V60 HydrophobicContact CD1-CG1 3.95Å; L50-V60 HydrophobicContact CG-CG1 4.38Å; L50-L104 HydrophobicContact CD2-CD2 3.94Å; L50-F107 HydrophobicContact CD2-CE2 3.98Å; L50-F107 HydrophobicContact CG-CE2 3.95Å; L50-W115 HydrophobicContact CD1-CH2 4.11Å; L50-W115 HydrophobicContact CD1-CZ3 4.2Å; L50-W115 HydrophobicContact CG-CH2 4.15Å; L50-W115 HydrophobicContact CG-CZ3 4.43Å |
| 51 | R | 78.6 | Confident | 82.1 | Confident | 137 Ų | 137 | 44.6 Ų | 44.6 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.3 | -33.1 | 176.7 | -75.3 | 172.3 | 169.8 | -179.6 | -4.5 | 113.7 | V47 R48 L49 V103 E106 F107 | V47-R51 PolarHBondContact O-N 3.27Å; R48-R51 PolarHBondContact O-N 3.32Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.13Å; R51-V103 HydrophobicContact CG-CG1 4.2Å; R51-E106 IonicContact NH2-OE2 3.67Å; R51-F107 HydrophobicContact CB-CZ 4.23Å; R51-F107 HydrophobicContact CG-CE1 4.11Å; R51-F107 HydrophobicContact CG-CZ 3.5Å |
| 52 | S | 77.6 | Confident | 82.5 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -106.6 | -25 | -166.6 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | L18 R48 L49 | L18-S52 WeakPolarHBondContact CD1-OG 3.38Å; R48-S52 PolarHBondContact O-N 2.78Å; R48-S52 PolarHBondContact O-OG 3.33Å; L49-S52 PolarHBondContact O-N 3.01Å |
| 53 | V | 80.2 | Confident | 82.6 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | trans | -132.2 | 107 | -171.8 | -167 | 0 | 0 | 0 | 0 | 112.9 | L18 L49 A55 C56 | L18-V53 HydrophobicContact CD1-CG2 3.59Å; L18-V53 HydrophobicContact CD2-CG2 3.85Å; L18-V53 HydrophobicContact CG-CG2 4.04Å; L49-V53 HydrophobicContact CD2-CG2 4.47Å; L49-V53 PolarHBondContact O-N 3.18Å; V53-A55 VanDerWaalsContact C-N 3.32Å; V53-A55 HydrophobicContact CG1-CB 4.3Å; V53-A55 PolarHBondContact O-N 3.38Å; V53-C56 HydrophobicContact CB-CB 4.17Å; V53-C56 HydrophobicContact CG1-CB 4.27Å; V53-C56 VanDerWaalsContact CG1-SG 3.57Å; V53-C56 PolarHBondContact O-N 3.49Å | ||
| 54 | P | 77.3 | Confident | 82.9 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 53% | 0.532 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -59.9 | -35.4 | 177.7 | -26.1 | 35 | 0 | 0 | 0 | 114.8 | C56 R57 | P54-C56 VanDerWaalsContact C-N 3.26Å; P54-C56 PolarHBondContact O-N 3.02Å; P54-R57 WeakPolarHBondContact O-CB 3.43Å; P54-R57 WeakPolarHBondContact O-CD 3.37Å; P54-R57 WeakPolarHBondContact O-CG 3.23Å; P54-R57 PolarHBondContact O-N 3.19Å |
| 55 | A | 78.8 | Confident | 83.2 | Confident | 97 Ų | 97 | 44.7 Ų | 44.7 | 80% | 0.802 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -67.8 | -23.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V53 | V53-A55 VanDerWaalsContact C-N 3.32Å; V53-A55 HydrophobicContact CG1-CB 4.3Å; V53-A55 PolarHBondContact O-N 3.38Å |
| 56 | C | 82.1 | Confident | 83.3 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -86.4 | -6.1 | -178.7 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | V53 P54 G58 A59 V60 | V53-C56 HydrophobicContact CB-CB 4.17Å; V53-C56 HydrophobicContact CG1-CB 4.27Å; V53-C56 VanDerWaalsContact CG1-SG 3.57Å; V53-C56 PolarHBondContact O-N 3.49Å; P54-C56 VanDerWaalsContact C-N 3.26Å; P54-C56 PolarHBondContact O-N 3.02Å; C56-G58 PolarHBondContact O-N 3.39Å; C56-A59 PolarHBondContact O-N 2.84Å; C56-V60 HydrophobicContact CB-CG2 4.27Å; C56-V60 WeakPolarHBondContact O-CB 3.32Å; C56-V60 WeakPolarHBondContact O-CG2 3.46Å; C56-V60 PolarHBondContact O-N 3.46Å |
| 57 | R | 84.3 | Confident | 83.4 | Confident | 72 Ų | 72 | 46.5 Ų | 46.5 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.3 | -47.2 | -172.5 | -72.2 | 172.9 | -178.9 | 166.3 | 1.8 | 113.4 | L50 P54 L61 W115 | L50-R57 HydrophobicContact CD1-CB 4.23Å; L50-R57 HydrophobicContact CD1-CG 3.95Å; P54-R57 WeakPolarHBondContact O-CB 3.43Å; P54-R57 WeakPolarHBondContact O-CD 3.37Å; P54-R57 WeakPolarHBondContact O-CG 3.23Å; P54-R57 PolarHBondContact O-N 3.19Å; R57-L61 WeakPolarHBondContact O-CB 3.35Å; R57-L61 VanDerWaalsContact O-CG 3.24Å; R57-L61 WeakPolarHBondContact O-CG 3.2Å; R57-L61 PolarHBondContact O-N 2.93Å; R57-W115 HydrophobicContact CG-CH2 3.92Å; R57-W115 HydrophobicContact CG-CZ3 4.31Å |
| 58 | G | 81.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C56 V60 L61 E62 | C56-G58 PolarHBondContact O-N 3.39Å; G58-V60 PolarHBondContact O-N 2.87Å; G58-L61 PolarHBondContact O-N 2.78Å; G58-E62 WeakPolarHBondContact O-CB 3.26Å; G58-E62 PolarHBondContact O-N 3.4Å |
| 59 | A | 82.3 | Confident | 83.9 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F25 C56 H63 | F25-A59 HydrophobicContact CE1-CB 4.46Å; C56-A59 PolarHBondContact O-N 2.84Å; A59-H63 PolarHBondContact O-N 3.25Å |
| 60 | V | 86.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -47 | 174.9 | 167.1 | 0 | 0 | 0 | 0 | 111.2 | F25 A46 L49 L50 C56 G58 E62 H63 L64 | F25-V60 HydrophobicContact CE1-CG2 4.36Å; F25-V60 HydrophobicContact CE2-CG2 4.39Å; F25-V60 HydrophobicContact CZ-CG2 4.04Å; A46-V60 HydrophobicContact CB-CG1 3.92Å; A46-V60 HydrophobicContact CB-CG2 4.46Å; A46-V60 WeakPolarHBondContact O-CG1 3.3Å; L49-V60 HydrophobicContact CB-CG2 4.12Å; L50-V60 HydrophobicContact CB-CG1 4.03Å; L50-V60 HydrophobicContact CD1-CB 4.25Å; L50-V60 HydrophobicContact CD1-CG1 3.95Å; L50-V60 HydrophobicContact CG-CG1 4.38Å; C56-V60 HydrophobicContact CB-CG2 4.27Å; C56-V60 WeakPolarHBondContact O-CB 3.32Å; C56-V60 WeakPolarHBondContact O-CG2 3.46Å; C56-V60 PolarHBondContact O-N 3.46Å; G58-V60 PolarHBondContact O-N 2.87Å; V60-E62 VanDerWaalsContact C-N 3.26Å; V60-E62 PolarHBondContact O-N 3.37Å; V60-H63 PolarHBondContact O-N 3.39Å; V60-L64 HydrophobicContact CG1-CD1 4Å; V60-L64 HydrophobicContact CG1-CG 4.36Å; V60-L64 WeakPolarHBondContact O-CG 3.46Å; V60-L64 PolarHBondContact O-N 3.29Å |
| 61 | L | 86.9 | Confident | 84.3 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -36.2 | 177.2 | -73 | 173.1 | 0 | 0 | 0 | 111.6 | R57 G58 L64 R65 L104 L118 W122 | R57-L61 WeakPolarHBondContact O-CB 3.35Å; R57-L61 VanDerWaalsContact O-CG 3.24Å; R57-L61 WeakPolarHBondContact O-CG 3.2Å; R57-L61 PolarHBondContact O-N 2.93Å; G58-L61 PolarHBondContact O-N 2.78Å; L61-L64 HydrophobicContact CD2-CD1 4.46Å; L61-L64 PolarHBondContact O-N 2.72Å; L61-R65 WeakPolarHBondContact O-CG 3.33Å; L61-R65 PolarHBondContact O-N 3.07Å; L61-R65 VanDerWaalsContact O-N 3.1Å; L61-L104 HydrophobicContact CD2-CD2 4.46Å; L61-L118 HydrophobicContact CD1-CD2 4.07Å; L61-L118 HydrophobicContact CD1-CG 4.08Å; L61-W122 HydrophobicContact CB-CG 4.34Å; L61-W122 HydrophobicContact CD1-CG 4.48Å; L61-W122 HydrophobicContact CD2-CD2 3.97Å; L61-W122 HydrophobicContact CD2-CE3 4.31Å; L61-W122 HydrophobicContact CD2-CG 4.3Å; L61-W122 HydrophobicContact CD2-CZ2 4.32Å; L61-W122 PolarHBondContact O-NE1 3.37Å |
| 62 | E | 87.1 | Confident | 84.7 | Confident | 108 Ų | 108 | 40.3 Ų | 40.3 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 173 | -169.2 | 61 | -150.4 | 0 | 0 | 111.9 | G58 V60 L64 R65 | G58-E62 WeakPolarHBondContact O-CB 3.26Å; G58-E62 PolarHBondContact O-N 3.4Å; V60-E62 VanDerWaalsContact C-N 3.26Å; V60-E62 PolarHBondContact O-N 3.37Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-L64 PolarHBondContact O-N 3.35Å; E62-R65 VanDerWaalsContact O-CB 3.28Å; E62-R65 WeakPolarHBondContact O-CB 3.45Å; E62-R65 PolarHBondContact O-N 3.31Å; E62-R65 VanDerWaalsContact O-N 3.12Å; E62-R65 IonicContact OE2-CZ 3.62Å; E62-R65 IonicContact OE2-NE 3.06Å; E62-R65 IonicContact OE2-NH1 2.73Å; E62-R65 PolarHBondContact OE2-NH1 3.26Å |
| 63 | H | 86.6 | Confident | 85.1 | Confident | 50 Ų | 50 | 39.4 Ų | 39.4 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.4 | 176.1 | 71.3 | 0 | 0 | 0 | 112 | F25 H42 A59 V60 R65 G66 V67 | F25-H63 HydrophobicContact CE2-CB 3.87Å; F25-H63 AromaticContact CE2-CD2 3.78Å; F25-H63 AromaticContact CE2-CG 3.76Å; F25-H63 HydrophobicContact CZ-CB 3.73Å; H42-H63 AromaticContact CD2-CE1 3.99Å; H42-H63 AromaticContact CD2-NE2 3.83Å; H42-H63 AromaticContact CE1-CE1 3.29Å; H42-H63 PolarHBondContact CE1-CE1 2.96Å; H42-H63 AromaticContact CE1-ND1 3.82Å; H42-H63 AromaticContact CE1-NE2 3.9Å; H42-H63 AromaticContact CG-CE1 3.63Å; H42-H63 AromaticContact CG-NE2 3.57Å; H42-H63 AromaticContact ND1-CE1 3.18Å; H42-H63 PolarHBondContact ND1-CE1 2.83Å; H42-H63 AromaticContact ND1-NE2 3.65Å; H42-H63 AromaticContact NE2-CE1 3.78Å; A59-H63 PolarHBondContact O-N 3.25Å; V60-H63 PolarHBondContact O-N 3.39Å; H63-R65 VanDerWaalsContact C-N 3.25Å; H63-R65 PolarHBondContact O-N 3.36Å; H63-G66 PolarHBondContact O-N 2.85Å; H63-G66 VanDerWaalsContact O-N 3.08Å; H63-V67 PolarHBondContact O-N 3Å |
| 64 | L | 87.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -29 | 176.4 | -69.3 | 174.1 | 0 | 0 | 0 | 112.5 | V60 L61 E62 G66 V67 Y68 V100 W122 | V60-L64 HydrophobicContact CG1-CD1 4Å; V60-L64 HydrophobicContact CG1-CG 4.36Å; V60-L64 WeakPolarHBondContact O-CG 3.46Å; V60-L64 PolarHBondContact O-N 3.29Å; L61-L64 HydrophobicContact CD2-CD1 4.46Å; L61-L64 PolarHBondContact O-N 2.72Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-L64 PolarHBondContact O-N 3.35Å; L64-G66 PolarHBondContact O-N 3.04Å; L64-V67 PolarHBondContact O-N 3.28Å; L64-V67 VanDerWaalsContact O-N 3.15Å; L64-Y68 WeakPolarHBondContact O-CD2 3.26Å; L64-Y68 PolarHBondContact O-N 3.17Å; L64-V100 HydrophobicContact CD1-CG1 3.98Å; L64-V100 HydrophobicContact CD2-CG1 4.39Å; L64-V100 HydrophobicContact CD2-CG2 3.86Å; L64-W122 HydrophobicContact CB-CZ2 4.07Å |
| 65 | R | 89.6 | Confident | 85.7 | Confident | 43 Ų | 43 | 38.1 Ų | 38.1 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.6 | -43 | 171.7 | -66.5 | -177.1 | 159.4 | 116.4 | -9.9 | 111.2 | L61 E62 H63 V67 Y68 D69 D125 L126 | L61-R65 WeakPolarHBondContact O-CG 3.33Å; L61-R65 PolarHBondContact O-N 3.07Å; L61-R65 VanDerWaalsContact O-N 3.1Å; E62-R65 VanDerWaalsContact O-CB 3.28Å; E62-R65 WeakPolarHBondContact O-CB 3.45Å; E62-R65 PolarHBondContact O-N 3.31Å; E62-R65 VanDerWaalsContact O-N 3.12Å; E62-R65 IonicContact OE2-CZ 3.62Å; E62-R65 IonicContact OE2-NE 3.06Å; E62-R65 IonicContact OE2-NH1 2.73Å; E62-R65 PolarHBondContact OE2-NH1 3.26Å; H63-R65 VanDerWaalsContact C-N 3.25Å; H63-R65 PolarHBondContact O-N 3.36Å; R65-V67 PolarHBondContact O-N 3.5Å; R65-Y68 PolarHBondContact O-N 2.88Å; R65-D69 WeakPolarHBondContact O-CB 3.19Å; R65-D69 PolarHBondContact O-N 2.87Å; R65-D125 IonicContact CZ-OD2 3.09Å; R65-D125 IonicContact NH2-OD2 2.8Å; R65-D125 PolarHBondContact NH2-OD2 2.89Å; R65-L126 HydrophobicContact CB-CD1 3.88Å; R65-L126 HydrophobicContact CB-CD2 4.45Å; R65-L126 HydrophobicContact CG-CD1 3.94Å; R65-L126 HydrophobicContact CG-CD2 4.18Å |
| 66 | G | 85.9 | Confident | 86 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.5 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H63 L64 D69 E70 | H63-G66 PolarHBondContact O-N 2.85Å; H63-G66 VanDerWaalsContact O-N 3.08Å; L64-G66 PolarHBondContact O-N 3.04Å; G66-D69 PolarHBondContact O-N 3.05Å; G66-E70 WeakPolarHBondContact O-CB 3.24Å; G66-E70 PolarHBondContact O-N 3.17Å |
| 67 | V | 86.2 | Confident | 86 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | V39 A43 H63 L64 R65 H71 L93 | V39-V67 HydrophobicContact CG1-CG1 4.34Å; V39-V67 HydrophobicContact CG1-CG2 4.27Å; A43-V67 HydrophobicContact CB-CG2 4.31Å; H63-V67 PolarHBondContact O-N 3Å; L64-V67 PolarHBondContact O-N 3.28Å; L64-V67 VanDerWaalsContact O-N 3.15Å; R65-V67 PolarHBondContact O-N 3.5Å; V67-H71 PolarHBondContact O-N 3.38Å; V67-H71 VanDerWaalsContact O-N 3.12Å; V67-L93 HydrophobicContact CG1-CD2 4.45Å |
| 68 | Y | 89.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.8 | -40.6 | 175.9 | -85.6 | -103.7 | 0 | 0 | 0 | 111.9 | L64 R65 H71 V72 I97 V100 W122 L126 A158 S161 L162 | L64-Y68 WeakPolarHBondContact O-CD2 3.26Å; L64-Y68 PolarHBondContact O-N 3.17Å; R65-Y68 PolarHBondContact O-N 2.88Å; Y68-H71 PolarHBondContact O-N 3.46Å; Y68-V72 VanDerWaalsContact O-CG2 3.29Å; Y68-V72 WeakPolarHBondContact O-CG2 3.05Å; Y68-V72 PolarHBondContact O-N 2.66Å; Y68-I97 HydrophobicContact CD1-CD1 3.81Å; Y68-I97 HydrophobicContact CD2-CD1 3.67Å; Y68-I97 HydrophobicContact CE1-CD1 3.74Å; Y68-I97 HydrophobicContact CE1-CG2 4.02Å; Y68-I97 HydrophobicContact CE2-CD1 3.63Å; Y68-I97 HydrophobicContact CG-CD1 3.77Å; Y68-V100 HydrophobicContact CE2-CG1 4.04Å; Y68-W122 HydrophobicContact CD2-CH2 4.5Å; Y68-W122 HydrophobicContact CE2-CH2 4.14Å; Y68-L126 HydrophobicContact CG-CD2 4.19Å; Y68-A158 HydrophobicContact CD1-CB 3.76Å; Y68-A158 HydrophobicContact CE1-CB 4.27Å; Y68-A158 VanDerWaalsContact CE1-O 3.27Å; Y68-A158 WeakPolarHBondContact CE1-O 3.37Å; Y68-S161 PolarHBondContact OH-OG 3.24Å; Y68-L162 HydrophobicContact CD1-CD1 3.64Å; Y68-L162 HydrophobicContact CD1-CD2 3.87Å; Y68-L162 HydrophobicContact CD1-CG 3.58Å; Y68-L162 HydrophobicContact CE1-CD1 4.11Å; Y68-L162 HydrophobicContact CE1-CD2 3.63Å; Y68-L162 HydrophobicContact CE1-CG 3.49Å; Y68-L162 VanDerWaalsContact CE1-CG 3.49Å; Y68-L162 HydrophobicContact CG-CD1 4.4Å; Y68-L162 HydrophobicContact CG-CD2 4.5Å |
| 69 | D | 87.5 | Confident | 85.7 | Confident | 39 Ų | 39 | 36.5 Ų | 36.5 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -40.1 | 176.8 | -178 | 71.5 | 0 | 0 | 0 | 113 | R65 G66 V72 S73 L130 K133 H134 | R65-D69 WeakPolarHBondContact O-CB 3.19Å; R65-D69 PolarHBondContact O-N 2.87Å; G66-D69 PolarHBondContact O-N 3.05Å; D69-V72 PolarHBondContact O-N 3.44Å; D69-S73 VanDerWaalsContact O-CB 3.27Å; D69-S73 WeakPolarHBondContact O-CB 3.35Å; D69-S73 PolarHBondContact O-N 3.23Å; D69-S73 PolarHBondContact O-OG 3.49Å; D69-L130 HydrophobicContact CB-CD2 3.93Å; D69-K133 IonicContact OD1-NZ 3.81Å; D69-K133 PolarHBondContact OD1-NZ 3.47Å; D69-K133 IonicContact OD2-NZ 3.73Å; D69-K133 PolarHBondContact OD2-NZ 2.85Å; D69-H134 IonicContact OD1-NE2 2.83Å |
| 70 | E | 86.7 | Confident | 85.4 | Confident | 87 Ų | 87 | 37.3 Ų | 37.3 | 41% | 0.407 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 175.2 | -171 | 176 | 178.1 | 0 | 0 | 111.5 | G66 S73 T74 | G66-E70 WeakPolarHBondContact O-CB 3.24Å; G66-E70 PolarHBondContact O-N 3.17Å; E70-S73 PolarHBondContact O-N 3.3Å; E70-T74 WeakPolarHBondContact O-CB 3.45Å; E70-T74 PolarHBondContact O-N 2.92Å; E70-T74 PolarHBondContact O-OG1 3.49Å |
| 71 | H | 86.3 | Confident | 84.7 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 6% | 0.06 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 175 | -173.6 | -64.5 | 0 | 0 | 0 | 111.8 | V67 Y68 T74 F75 I97 A158 | V67-H71 PolarHBondContact O-N 3.38Å; V67-H71 VanDerWaalsContact O-N 3.12Å; Y68-H71 PolarHBondContact O-N 3.46Å; H71-T74 PolarHBondContact O-N 3.25Å; H71-F75 WeakPolarHBondContact O-CB 3.29Å; H71-F75 PolarHBondContact O-N 2.85Å; H71-I97 HydrophobicContact CB-CD1 4.5Å; H71-A158 HydrophobicContact CB-CB 4.16Å |
| 72 | V | 87.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 178.8 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | Y68 D69 T74 F75 L76 L130 W153 A158 T159 | Y68-V72 VanDerWaalsContact O-CG2 3.29Å; Y68-V72 WeakPolarHBondContact O-CG2 3.05Å; Y68-V72 PolarHBondContact O-N 2.66Å; D69-V72 PolarHBondContact O-N 3.44Å; V72-T74 VanDerWaalsContact C-N 3.33Å; V72-T74 PolarHBondContact O-N 3.25Å; V72-F75 PolarHBondContact O-N 3.16Å; V72-L76 HydrophobicContact CG1-CD1 4.06Å; V72-L76 HydrophobicContact CG1-CG 4.5Å; V72-L76 WeakPolarHBondContact O-CG 3.05Å; V72-L76 PolarHBondContact O-N 2.77Å; V72-L130 HydrophobicContact CB-CD2 4.3Å; V72-L130 HydrophobicContact CG1-CD2 4.46Å; V72-L130 HydrophobicContact CG2-CD1 4.17Å; V72-L130 HydrophobicContact CG2-CD2 4.33Å; V72-W153 HydrophobicContact CG1-CH2 4.34Å; V72-W153 HydrophobicContact CG1-CZ3 3.77Å; V72-A158 HydrophobicContact CG2-CB 3.87Å; V72-T159 HydrophobicContact CG2-CG2 4.16Å |
| 73 | S | 85.7 | Confident | 81.6 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 176.7 | -67.6 | 0 | 0 | 0 | 0 | 112 | D69 E70 H77 H134 | D69-S73 VanDerWaalsContact O-CB 3.27Å; D69-S73 WeakPolarHBondContact O-CB 3.35Å; D69-S73 PolarHBondContact O-N 3.23Å; D69-S73 PolarHBondContact O-OG 3.49Å; E70-S73 PolarHBondContact O-N 3.3Å; S73-H77 VanDerWaalsContact O-CB 3.29Å; S73-H77 WeakPolarHBondContact O-CB 3.35Å; S73-H77 PolarHBondContact O-N 2.95Å; S73-H134 PolarHBondContact OG-CE1 3.49Å; S73-H134 VanDerWaalsContact OG-CE1 3.25Å |
| 74 | T | 84.5 | Confident | 79.6 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 177.1 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | E70 H71 V72 H77 N78 | E70-T74 WeakPolarHBondContact O-CB 3.45Å; E70-T74 PolarHBondContact O-N 2.92Å; E70-T74 PolarHBondContact O-OG1 3.49Å; H71-T74 PolarHBondContact O-N 3.25Å; V72-T74 VanDerWaalsContact C-N 3.33Å; V72-T74 PolarHBondContact O-N 3.25Å; T74-H77 PolarHBondContact O-N 2.81Å; T74-N78 PolarHBondContact O-N 2.96Å; T74-N78 PolarHBondContact O-ND2 3.37Å |
| 75 | F | 85.3 | Confident | 77.4 | Confident | 34 Ų | 34 | 54.9 Ų | 54.9 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.8 | -49.7 | 175.8 | 171.3 | -97.9 | 0 | 0 | 0 | 112.1 | H71 V72 H77 N78 L79 L152 S155 C156 | H71-F75 WeakPolarHBondContact O-CB 3.29Å; H71-F75 PolarHBondContact O-N 2.85Å; V72-F75 PolarHBondContact O-N 3.16Å; F75-H77 VanDerWaalsContact C-N 3.35Å; F75-H77 PolarHBondContact O-N 3.18Å; F75-N78 PolarHBondContact O-N 3.37Å; F75-L79 HydrophobicContact CE1-CD2 4.48Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 PolarHBondContact O-N 2.94Å; F75-L152 HydrophobicContact CE1-CD1 4.31Å; F75-S155 VanDerWaalsContact CZ-OG 3.26Å; F75-S155 WeakPolarHBondContact CZ-OG 3.42Å; F75-C156 HydrophobicContact CD1-CB 3.62Å; F75-C156 HydrophobicContact CD2-CB 4.3Å; F75-C156 HydrophobicContact CE1-CB 3.68Å; F75-C156 HydrophobicContact CE2-CB 4.35Å; F75-C156 HydrophobicContact CG-CB 3.96Å; F75-C156 HydrophobicContact CZ-CB 4.07Å |
| 76 | L | 85.1 | Confident | 75.3 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 179.4 | -69 | 175.1 | 0 | 0 | 0 | 112.4 | V72 L79 E80 H134 L152 W153 | V72-L76 HydrophobicContact CG1-CD1 4.06Å; V72-L76 HydrophobicContact CG1-CG 4.5Å; V72-L76 WeakPolarHBondContact O-CG 3.05Å; V72-L76 PolarHBondContact O-N 2.77Å; L76-L79 PolarHBondContact O-N 3.01Å; L76-E80 WeakPolarHBondContact O-CG 3.38Å; L76-E80 PolarHBondContact O-N 2.96Å; L76-H134 HydrophobicContact CD1-CB 3.59Å; L76-L152 HydrophobicContact CD2-CD1 4.37Å; L76-L152 HydrophobicContact CD2-CD2 4.48Å; L76-W153 HydrophobicContact CD1-CH2 4.26Å |
| 77 | H | 82 | Confident | 73.6 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 47% | 0.468 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 175.8 | -171.3 | 54.3 | 0 | 0 | 0 | 112.5 | S73 T74 F75 E80 T81 | S73-H77 VanDerWaalsContact O-CB 3.29Å; S73-H77 WeakPolarHBondContact O-CB 3.35Å; S73-H77 PolarHBondContact O-N 2.95Å; T74-H77 PolarHBondContact O-N 2.81Å; F75-H77 VanDerWaalsContact C-N 3.35Å; F75-H77 PolarHBondContact O-N 3.18Å; H77-E80 IonicContact ND1-OE2 2.91Å; H77-E80 WeakPolarHBondContact O-CB 3.32Å; H77-E80 PolarHBondContact O-N 2.94Å; H77-T81 WeakPolarHBondContact O-CG2 3.46Å; H77-T81 PolarHBondContact O-N 3.1Å; H77-T81 VanDerWaalsContact O-N 3.14Å; H77-T81 PolarHBondContact O-OG1 3.11Å |
| 78 | N | 80 | Confident | 71.8 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 24% | 0.235 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 173 | -66.7 | -17.6 | 0 | 0 | 0 | 111.1 | T74 F75 E80 T81 E82 T90 | T74-N78 PolarHBondContact O-N 2.96Å; T74-N78 PolarHBondContact O-ND2 3.37Å; F75-N78 PolarHBondContact O-N 3.37Å; N78-E80 VanDerWaalsContact C-N 3.27Å; N78-E80 PolarHBondContact O-N 3.39Å; N78-T81 WeakPolarHBondContact CA-OG1 3.5Å; N78-T81 CarbonylContact O-C 3.59Å; N78-T81 PolarHBondContact O-N 3.4Å; N78-T81 PolarHBondContact O-OG1 3.23Å; N78-E82 WeakPolarHBondContact O-CB 3.28Å; N78-E82 WeakPolarHBondContact O-CG 3.29Å; N78-E82 PolarHBondContact O-N 3.2Å; N78-T90 WeakPolarHBondContact ND2-CG2 3.45Å |
| 79 | L | 79.6 | Confident | 69.9 | Low | 59 Ų | 59 | 67.6 Ų | 67.6 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.3 | -29.3 | 176.3 | -144 | 72.4 | 0 | 0 | 0 | 112.7 | F75 L76 V139 L152 | F75-L79 HydrophobicContact CE1-CD2 4.48Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 PolarHBondContact O-N 2.94Å; L76-L79 PolarHBondContact O-N 3.01Å; L79-V139 HydrophobicContact CB-CG1 4.15Å; L79-V139 HydrophobicContact CD2-CG1 3.63Å; L79-V139 HydrophobicContact CG-CG1 4.1Å; L79-L152 HydrophobicContact CD2-CD1 3.41Å; L79-L152 VanDerWaalsContact CD2-CD1 3.41Å |
| 80 | E | 77.7 | Confident | 68.3 | Low | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.35 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.7 | -24.4 | 171.5 | -76.1 | 168.5 | 177.7 | 0 | 0 | 113.2 | L76 H77 N78 R137 V139 | L76-E80 WeakPolarHBondContact O-CG 3.38Å; L76-E80 PolarHBondContact O-N 2.96Å; H77-E80 IonicContact ND1-OE2 2.91Å; H77-E80 WeakPolarHBondContact O-CB 3.32Å; H77-E80 PolarHBondContact O-N 2.94Å; N78-E80 VanDerWaalsContact C-N 3.27Å; N78-E80 PolarHBondContact O-N 3.39Å; E80-R137 WeakPolarHBondContact OE1-CD 3.35Å; E80-R137 IonicContact OE1-NH1 3.61Å; E80-R137 IonicContact OE2-NH1 2.62Å; E80-R137 PolarHBondContact OE2-NH1 3.24Å; E80-V139 HydrophobicContact CB-CG2 4.17Å; E80-V139 HydrophobicContact CG-CB 4.07Å; E80-V139 HydrophobicContact CG-CG2 3.32Å |
| 81 | T | 71.3 | Confident | 67 | Low | 69 Ų | 69 | 66.8 Ų | 66.8 | 42% | 0.423 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -110.7 | -5.7 | -172.2 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | H77 N78 G83 N84 | H77-T81 WeakPolarHBondContact O-CG2 3.46Å; H77-T81 PolarHBondContact O-N 3.1Å; H77-T81 VanDerWaalsContact O-N 3.14Å; H77-T81 PolarHBondContact O-OG1 3.11Å; N78-T81 WeakPolarHBondContact CA-OG1 3.5Å; N78-T81 CarbonylContact O-C 3.59Å; N78-T81 PolarHBondContact O-N 3.4Å; N78-T81 PolarHBondContact O-OG1 3.23Å; T81-G83 PolarHBondContact O-N 2.98Å; T81-N84 PolarHBondContact O-N 2.91Å; T81-N84 VanDerWaalsContact O-N 3.11Å |
| 82 | E | 55.6 | Low | 66 | Low | 143 Ų | 143 | 70.8 Ų | 70.8 | 67% | 0.668 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 27.4 | 175.9 | -95.1 | -179.9 | -176.2 | 0 | 0 | 115.1 | N78 | N78-E82 WeakPolarHBondContact O-CB 3.28Å; N78-E82 WeakPolarHBondContact O-CG 3.29Å; N78-E82 PolarHBondContact O-N 3.2Å |
| 83 | G | 53.1 | Low | 65.4 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 67% | 0.67 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -17.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T81 | T81-G83 PolarHBondContact O-N 2.98Š|
| 84 | N | 44.8 | Very low | 65.2 | Low | 155 Ų | 155 | 74.7 Ų | 74.7 | 83% | 0.829 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -170.6 | 106.2 | 176.9 | -94.9 | -28.3 | 0 | 0 | 0 | 112.6 | T81 | T81-N84 PolarHBondContact O-N 2.91Å; T81-N84 VanDerWaalsContact O-N 3.11Å |
| 85 | A | 41.4 | Very low | 65.1 | Low | 101 Ų | 101 | 76.1 Ų | 76.1 | 84% | 0.835 | 47% | 0.471 | S | S | * | . | trans | 136.8 | 150.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 86 | S | 44.7 | Very low | 65 | Low | 117 Ų | 117 | 74.6 Ų | 74.6 | 82% | 0.818 | 46% | 0.464 | S | S | * | . | trans | -65.6 | 135 | -160.1 | 48 | 0 | 0 | 0 | 0 | 118 | G88 | S86-G88 PolarHBondContact O-N 3.43Å; S86-G88 VanDerWaalsContact O-N 3.15Å | ||
| 87 | S | 50.8 | Low | 65.1 | Low | 119 Ų | 119 | 74.5 Ų | 74.5 | 83% | 0.832 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -49.9 | 94.7 | 166.5 | 156 | 0 | 0 | 0 | 0 | 114.7 | ||
| 88 | G | 47.8 | Very low | 65.3 | Low | 56 Ų | 56 | 76.3 Ų | 76.3 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | trans | -146.5 | -9.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | S86 | S86-G88 PolarHBondContact O-N 3.43Å; S86-G88 VanDerWaalsContact O-N 3.15Å | ||
| 89 | A | 49.6 | Very low | 65.5 | Low | 62 Ų | 62 | 77.6 Ų | 77.6 | 51% | 0.512 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -102.7 | -18.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 90 | T | 54.3 | Low | 65.8 | Low | 49 Ų | 49 | 74.9 Ų | 74.9 | 30% | 0.301 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -77.7 | -27.6 | -174.1 | 46.6 | 0 | 0 | 0 | 0 | 114.3 | N78 N92 E94 | N78-T90 WeakPolarHBondContact ND2-CG2 3.45Å; T90-N92 VanDerWaalsContact C-N 3.27Å; T90-N92 PolarHBondContact O-N 3.38Å; T90-E94 PolarHBondContact O-N 3.44Å |
| 91 | S | 59.9 | Low | 66.3 | Low | 61 Ų | 61 | 72.9 Ų | 72.9 | 43% | 0.427 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.1 | -27.4 | -174.7 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 92 | N | 66.3 | Low | 66.9 | Low | 96 Ų | 96 | 71.4 Ų | 71.4 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74 | -32.7 | -172.3 | -72.7 | -33.8 | 0 | 0 | 0 | 114.2 | R40 T90 | R40-N92 PolarHBondContact NH1-O 3.28Å; T90-N92 VanDerWaalsContact C-N 3.27Å; T90-N92 PolarHBondContact O-N 3.38Å |
| 93 | L | 74.2 | Confident | 68.4 | Low | 29 Ų | 29 | 64.8 Ų | 64.8 | 15% | 0.152 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -91.1 | -27.9 | 176.6 | -73.4 | 112.5 | 0 | 0 | 0 | 112.7 | V39 V67 D95 I96 I97 | V39-L93 HydrophobicContact CG1-CD2 4.09Å; V67-L93 HydrophobicContact CG1-CD2 4.45Å; L93-D95 PolarHBondContact O-N 3.17Å; L93-I96 WeakPolarHBondContact O-CB 3.3Å; L93-I96 PolarHBondContact O-N 3.44Å; L93-I97 WeakPolarHBondContact O-CG1 3.37Å; L93-I97 PolarHBondContact O-N 2.98Å; L93-I97 VanDerWaalsContact O-N 3.07Å |
| 94 | E | 81.2 | Confident | 70 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 179.6 | -170.5 | 165.5 | -164.8 | 0 | 0 | 112.2 | T90 I96 I97 Q98 A157 | T90-E94 PolarHBondContact O-N 3.44Å; E94-I96 PolarHBondContact O-N 3.23Å; E94-I97 PolarHBondContact O-N 2.92Å; E94-Q98 PolarHBondContact O-N 3.1Å; E94-A157 HydrophobicContact CG-CB 3.85Å; E94-A157 WeakPolarHBondContact OE1-CB 3.48Å |
| 95 | D | 81.9 | Confident | 72.1 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 40% | 0.401 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53 | -40.7 | 171.7 | -76.1 | -11.3 | 0 | 0 | 0 | 112.8 | R40 L93 Q98 E99 | R40-D95 IonicContact CZ-OD2 3.95Å; R40-D95 IonicContact NH1-OD2 2.76Å; R40-D95 PolarHBondContact NH1-OD2 2.79Å; R40-D95 IonicContact NH2-OD2 3.77Å; R40-D95 PolarHBondContact NH2-OD2 2.64Å; L93-D95 PolarHBondContact O-N 3.17Å; D95-Q98 PolarHBondContact O-N 3.44Å; D95-E99 WeakPolarHBondContact O-CB 3.36Å; D95-E99 PolarHBondContact O-N 3.32Å |
| 96 | I | 84.2 | Confident | 74.3 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.7 | -43.6 | -176.6 | -56.4 | 163.6 | 0 | 0 | 0 | 109.7 | R40 A43 L93 E94 Q98 E99 V100 | R40-I96 VanDerWaalsContact CA-CD1 3.41Å; R40-I96 HydrophobicContact CB-CD1 3.58Å; R40-I96 HydrophobicContact CB-CG1 4.27Å; R40-I96 HydrophobicContact CG-CD1 3.71Å; R40-I96 HydrophobicContact CG-CG1 3.82Å; A43-I96 HydrophobicContact CB-CG2 3.53Å; L93-I96 WeakPolarHBondContact O-CB 3.3Å; L93-I96 PolarHBondContact O-N 3.44Å; E94-I96 PolarHBondContact O-N 3.23Å; I96-Q98 PolarHBondContact O-N 3.07Å; I96-E99 PolarHBondContact O-N 3.38Å; I96-V100 HydrophobicContact CG2-CG2 4.21Å; I96-V100 WeakPolarHBondContact O-CB 3.48Å; I96-V100 VanDerWaalsContact O-CG2 3.25Å; I96-V100 WeakPolarHBondContact O-CG2 3.25Å; I96-V100 PolarHBondContact O-N 2.9Å |
| 97 | I | 87.9 | Confident | 76.2 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58 | -42.6 | 175.7 | -65.5 | -63.3 | 0 | 0 | 0 | 109.9 | Y68 H71 L93 E94 V100 H101 A158 | Y68-I97 HydrophobicContact CD1-CD1 3.81Å; Y68-I97 HydrophobicContact CD2-CD1 3.67Å; Y68-I97 HydrophobicContact CE1-CD1 3.74Å; Y68-I97 HydrophobicContact CE1-CG2 4.02Å; Y68-I97 HydrophobicContact CE2-CD1 3.63Å; Y68-I97 HydrophobicContact CG-CD1 3.77Å; H71-I97 HydrophobicContact CB-CD1 4.5Å; L93-I97 WeakPolarHBondContact O-CG1 3.37Å; L93-I97 PolarHBondContact O-N 2.98Å; L93-I97 VanDerWaalsContact O-N 3.07Å; E94-I97 PolarHBondContact O-N 2.92Å; I97-V100 PolarHBondContact O-N 2.87Å; I97-H101 VanDerWaalsContact O-CB 3.26Å; I97-H101 WeakPolarHBondContact O-CB 3.41Å; I97-H101 PolarHBondContact O-N 3.34Å; I97-A158 HydrophobicContact CD1-CB 4.24Å; I97-A158 HydrophobicContact CG1-CB 4.43Å |
| 98 | Q | 85.2 | Confident | 78 | Confident | 140 Ų | 140 | 44.2 Ų | 44.2 | 65% | 0.654 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.2 | -39 | 176.8 | -164.3 | 174.8 | 18.7 | 0 | 0 | 112.4 | E94 D95 I96 G102 | E94-Q98 PolarHBondContact O-N 3.1Å; D95-Q98 PolarHBondContact O-N 3.44Å; I96-Q98 PolarHBondContact O-N 3.07Å; Q98-G102 PolarHBondContact O-N 3.32Å |
| 99 | E | 84.1 | Confident | 79.8 | Confident | 70 Ų | 70 | 49.7 Ų | 49.7 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 175.1 | -168.1 | 176.5 | 164.7 | 0 | 0 | 111.2 | R44 D95 I96 G102 V103 | R44-E99 IonicContact CZ-OE2 3.96Å; R44-E99 IonicContact NE-OE1 3.84Å; R44-E99 IonicContact NE-OE2 3.99Å; R44-E99 PolarHBondContact NE-OE2 3.42Å; R44-E99 IonicContact NH2-OE2 2.94Å; R44-E99 PolarHBondContact NH2-OE2 2.99Å; D95-E99 WeakPolarHBondContact O-CB 3.36Å; D95-E99 PolarHBondContact O-N 3.32Å; I96-E99 PolarHBondContact O-N 3.38Å; E99-G102 PolarHBondContact O-N 3.03Å; E99-V103 VanDerWaalsContact O-CG2 3.24Å; E99-V103 WeakPolarHBondContact O-CG2 3.39Å; E99-V103 PolarHBondContact O-N 3.15Å; E99-V103 VanDerWaalsContact O-N 3.1Å |
| 100 | V | 86.1 | Confident | 81.5 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | V47 L64 Y68 I96 I97 G102 V103 L104 | V47-V100 HydrophobicContact CG2-CG2 3.66Å; L64-V100 HydrophobicContact CD1-CG1 3.98Å; L64-V100 HydrophobicContact CD2-CG1 4.39Å; L64-V100 HydrophobicContact CD2-CG2 3.86Å; Y68-V100 HydrophobicContact CE2-CG1 4.04Å; I96-V100 HydrophobicContact CG2-CG2 4.21Å; I96-V100 WeakPolarHBondContact O-CB 3.48Å; I96-V100 VanDerWaalsContact O-CG2 3.25Å; I96-V100 WeakPolarHBondContact O-CG2 3.25Å; I96-V100 PolarHBondContact O-N 2.9Å; I97-V100 PolarHBondContact O-N 2.87Å; V100-G102 PolarHBondContact O-N 3.29Å; V100-V103 PolarHBondContact O-N 2.72Å; V100-L104 HydrophobicContact CG1-CD1 3.98Å; V100-L104 HydrophobicContact CG1-CG 4.42Å; V100-L104 WeakPolarHBondContact O-CG 3.12Å; V100-L104 PolarHBondContact O-N 3.06Å |
| 101 | H | 87.1 | Confident | 82.9 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.2 | -50.1 | 175.4 | -178.7 | 73.5 | 0 | 0 | 0 | 111.6 | I97 V103 L104 S105 S161 E164 S165 | I97-H101 VanDerWaalsContact O-CB 3.26Å; I97-H101 WeakPolarHBondContact O-CB 3.41Å; I97-H101 PolarHBondContact O-N 3.34Å; H101-V103 VanDerWaalsContact C-N 3.28Å; H101-V103 PolarHBondContact O-N 3.08Å; H101-L104 PolarHBondContact O-N 3.43Å; H101-S105 PolarHBondContact CE1-OG 3.4Å; H101-S105 VanDerWaalsContact CE1-OG 3.27Å; H101-S105 PolarHBondContact NE2-OG 3.5Å; H101-S105 VanDerWaalsContact NE2-OG 3.11Å; H101-S105 WeakPolarHBondContact O-CB 3.21Å; H101-S105 PolarHBondContact O-N 3.23Å; H101-S105 PolarHBondContact O-OG 3.06Å; H101-S161 WeakPolarHBondContact CB-OG 3.39Å; H101-S161 PolarHBondContact ND1-O 2.84Å; H101-S161 PolarHBondContact ND1-OG 2.98Å; H101-E164 IonicContact CE1-OE2 3.97Å; H101-E164 IonicContact NE2-OE2 2.8Å; H101-S165 PolarHBondContact CE1-OG 3.43Å; H101-S165 PolarHBondContact ND1-OG 3.49Å |
| 102 | G | 85.9 | Confident | 84.1 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57 | -41 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q98 E99 V100 E106 | Q98-G102 PolarHBondContact O-N 3.32Å; E99-G102 PolarHBondContact O-N 3.03Å; V100-G102 PolarHBondContact O-N 3.29Å; G102-E106 WeakPolarHBondContact O-CB 3.41Å; G102-E106 PolarHBondContact O-N 3.39Å |
| 103 | V | 86.1 | Confident | 84.9 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | V47 R51 E99 V100 H101 E106 F107 | V47-V103 HydrophobicContact CG1-CB 4.16Å; V47-V103 HydrophobicContact CG1-CG1 4.15Å; V47-V103 HydrophobicContact CG1-CG2 3.46Å; V47-V103 VanDerWaalsContact CG1-CG2 3.46Å; R51-V103 HydrophobicContact CG-CG1 4.2Å; E99-V103 VanDerWaalsContact O-CG2 3.24Å; E99-V103 WeakPolarHBondContact O-CG2 3.39Å; E99-V103 PolarHBondContact O-N 3.15Å; E99-V103 VanDerWaalsContact O-N 3.1Å; V100-V103 PolarHBondContact O-N 2.72Å; H101-V103 VanDerWaalsContact C-N 3.28Å; H101-V103 PolarHBondContact O-N 3.08Å; V103-E106 PolarHBondContact O-N 3.03Å; V103-F107 HydrophobicContact CG1-CD2 4.01Å; V103-F107 HydrophobicContact CG1-CE1 4.26Å; V103-F107 HydrophobicContact CG1-CE2 3.39Å; V103-F107 HydrophobicContact CG1-CZ 3.55Å; V103-F107 WeakPolarHBondContact O-CD2 3.46Å; V103-F107 WeakPolarHBondContact O-CG 3.34Å; V103-F107 PolarHBondContact O-N 3.36Å |
| 104 | L | 87.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 178.6 | -68.2 | 176.3 | 0 | 0 | 0 | 111.4 | L50 L61 V100 H101 E106 F107 I108 V119 W122 | L50-L104 HydrophobicContact CD2-CD2 3.94Å; L61-L104 HydrophobicContact CD2-CD2 4.46Å; V100-L104 HydrophobicContact CG1-CD1 3.98Å; V100-L104 HydrophobicContact CG1-CG 4.42Å; V100-L104 WeakPolarHBondContact O-CG 3.12Å; V100-L104 PolarHBondContact O-N 3.06Å; H101-L104 PolarHBondContact O-N 3.43Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.49Å; L104-F107 PolarHBondContact O-N 3.36Å; L104-I108 WeakPolarHBondContact O-CD1 3.4Å; L104-I108 VanDerWaalsContact O-CG1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.37Å; L104-I108 PolarHBondContact O-N 2.92Å; L104-V119 HydrophobicContact CD2-CG2 4.15Å; L104-W122 HydrophobicContact CD1-CH2 4.18Å; L104-W122 HydrophobicContact CD1-CZ3 3.74Å |
| 105 | S | 87.1 | Confident | 85.5 | Confident | 19 Ų | 19 | 55 Ų | 55 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 177.7 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | H101 R109 Q168 | H101-S105 PolarHBondContact CE1-OG 3.4Å; H101-S105 VanDerWaalsContact CE1-OG 3.27Å; H101-S105 PolarHBondContact NE2-OG 3.5Å; H101-S105 VanDerWaalsContact NE2-OG 3.11Å; H101-S105 WeakPolarHBondContact O-CB 3.21Å; H101-S105 PolarHBondContact O-N 3.23Å; H101-S105 PolarHBondContact O-OG 3.06Å; S105-R109 WeakPolarHBondContact O-CB 3.41Å; S105-R109 PolarHBondContact O-N 3.29Å; S105-R109 VanDerWaalsContact O-N 3.14Å; S105-Q168 VanDerWaalsContact CB-OE1 3.29Å; S105-Q168 PolarHBondContact O-NE2 2.96Å; S105-Q168 PolarHBondContact OG-OE1 3.38Å |
| 106 | E | 87.8 | Confident | 85.7 | Confident | 79 Ų | 79 | 51.4 Ų | 51.4 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 172.8 | -173.7 | 179.2 | -166.9 | 0 | 0 | 111.7 | R51 G102 V103 L104 R109 L110 | R51-E106 IonicContact NH2-OE2 3.67Å; G102-E106 WeakPolarHBondContact O-CB 3.41Å; G102-E106 PolarHBondContact O-N 3.39Å; V103-E106 PolarHBondContact O-N 3.03Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.49Å; E106-R109 PolarHBondContact O-N 3.44Å; E106-L110 HydrophobicContact CG-CD1 3.89Å; E106-L110 HydrophobicContact CG-CG 4.39Å; E106-L110 WeakPolarHBondContact O-CG 3.34Å; E106-L110 PolarHBondContact O-N 2.88Å |
| 107 | F | 86.3 | Confident | 85.8 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.7 | -67.5 | -26.4 | 0 | 0 | 0 | 113.5 | L50 R51 V103 L104 R109 L110 N111 W115 | L50-F107 HydrophobicContact CD2-CE2 3.98Å; L50-F107 HydrophobicContact CG-CE2 3.95Å; R51-F107 HydrophobicContact CB-CZ 4.23Å; R51-F107 HydrophobicContact CG-CE1 4.11Å; R51-F107 HydrophobicContact CG-CZ 3.5Å; V103-F107 HydrophobicContact CG1-CD2 4.01Å; V103-F107 HydrophobicContact CG1-CE1 4.26Å; V103-F107 HydrophobicContact CG1-CE2 3.39Å; V103-F107 HydrophobicContact CG1-CZ 3.55Å; V103-F107 WeakPolarHBondContact O-CD2 3.46Å; V103-F107 WeakPolarHBondContact O-CG 3.34Å; V103-F107 PolarHBondContact O-N 3.36Å; L104-F107 PolarHBondContact O-N 3.36Å; F107-R109 VanDerWaalsContact C-N 3.26Å; F107-R109 PolarHBondContact O-N 2.89Å; F107-L110 PolarHBondContact O-N 3.33Å; F107-N111 PolarHBondContact O-N 3.31Å; F107-W115 HydrophobicContact CB-CB 4.43Å; F107-W115 HydrophobicContact CB-CD2 3.95Å; F107-W115 HydrophobicContact CB-CG 3.9Å; F107-W115 HydrophobicContact CD2-CD2 4.29Å; F107-W115 HydrophobicContact CD2-CE3 4.28Å; F107-W115 AromaticContact CD2-CH2 3.87Å; F107-W115 HydrophobicContact CD2-CH2 3.87Å; F107-W115 AromaticContact CD2-CZ2 3.89Å; F107-W115 HydrophobicContact CD2-CZ2 3.89Å; F107-W115 HydrophobicContact CD2-CZ3 4.09Å; F107-W115 AromaticContact CE2-CH2 3.95Å; F107-W115 HydrophobicContact CE2-CH2 3.95Å; F107-W115 HydrophobicContact CE2-CZ2 4.09Å; F107-W115 HydrophobicContact CE2-CZ3 4.47Å; F107-W115 HydrophobicContact CG-CD2 4.35Å; F107-W115 HydrophobicContact CG-CZ2 4.19Å |
| 108 | I | 87.8 | Confident | 85.7 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 175.2 | -64.7 | 158 | 0 | 0 | 0 | 109.7 | L104 P112 V119 Q168 C169 A172 | L104-I108 WeakPolarHBondContact O-CD1 3.4Å; L104-I108 VanDerWaalsContact O-CG1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.37Å; L104-I108 PolarHBondContact O-N 2.92Å; I108-P112 WeakPolarHBondContact O-CA 3.43Å; I108-P112 VanDerWaalsContact O-CD 3.3Å; I108-P112 WeakPolarHBondContact O-CD 3.48Å; I108-P112 WeakPolarHBondContact O-CG 3.47Å; I108-V119 HydrophobicContact CD1-CG1 4.16Å; I108-Q168 HydrophobicContact CG2-CG 4.09Å; I108-C169 WeakPolarHBondContact CD1-SG 3.32Å; I108-A172 HydrophobicContact CG2-CB 4.31Å |
| 109 | R | 84.9 | Confident | 85.9 | Confident | 171 Ų | 171 | 50 Ų | 50 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -68.2 | -39.2 | 178.3 | -170.4 | -176.9 | 66.1 | 87.4 | 2.1 | 113 | S105 E106 F107 | S105-R109 WeakPolarHBondContact O-CB 3.41Å; S105-R109 PolarHBondContact O-N 3.29Å; S105-R109 VanDerWaalsContact O-N 3.14Å; E106-R109 PolarHBondContact O-N 3.44Å; F107-R109 VanDerWaalsContact C-N 3.26Å; F107-R109 PolarHBondContact O-N 2.89Å |
| 110 | L | 85.6 | Confident | 86.1 | Confident | 110 Ų | 110 | 46.7 Ų | 46.7 | 58% | 0.576 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -76.9 | -39.7 | -177.1 | -70.7 | 172.9 | 0 | 0 | 0 | 113 | E106 F107 | E106-L110 HydrophobicContact CG-CD1 3.89Å; E106-L110 HydrophobicContact CG-CG 4.39Å; E106-L110 WeakPolarHBondContact O-CG 3.34Å; E106-L110 PolarHBondContact O-N 2.88Å; F107-L110 PolarHBondContact O-N 3.33Å |
| 111 | N | 84.8 | Confident | 86.2 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | trans | -146.1 | 83.1 | 177.1 | -170.8 | -11 | 0 | 0 | 0 | 112 | F107 R113 A114 W115 | F107-N111 PolarHBondContact O-N 3.31Å; N111-R113 VanDerWaalsContact C-N 3.32Å; N111-R113 PolarHBondContact O-N 2.96Å; N111-A114 PolarHBondContact O-N 3.4Å; N111-A114 PolarHBondContact OD1-N 2.97Å; N111-W115 PolarHBondContact O-N 2.88Å | ||
| 112 | P | 84.1 | Confident | 86.4 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 29% | 0.292 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | -177.8 | -21.9 | 27.9 | 0 | 0 | 0 | 114 | I108 A114 A116 A172 | I108-P112 WeakPolarHBondContact O-CA 3.43Å; I108-P112 VanDerWaalsContact O-CD 3.3Å; I108-P112 WeakPolarHBondContact O-CD 3.48Å; I108-P112 WeakPolarHBondContact O-CG 3.47Å; P112-A114 VanDerWaalsContact C-N 3.33Å; P112-A114 PolarHBondContact O-N 2.9Å; P112-A116 WeakPolarHBondContact O-CB 3.5Å; P112-A116 PolarHBondContact O-N 3.01Å; P112-A172 HydrophobicContact CB-CB 4.08Å |
| 113 | R | 83.3 | Confident | 86.6 | Confident | 189 Ų | 189 | 46.6 Ų | 46.6 | 71% | 0.713 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.6 | -33.2 | -173.7 | -72.2 | -173.9 | 176.9 | -179.2 | -0.3 | 113.3 | N111 W176 | N111-R113 VanDerWaalsContact C-N 3.32Å; N111-R113 PolarHBondContact O-N 2.96Å; R113-W176 HydrophobicContact CB-CH2 4.33Å; R113-W176 HydrophobicContact CB-CZ2 4.39Å; R113-W176 HydrophobicContact CG-CH2 4.19Å; R113-W176 HydrophobicContact CG-CZ2 3.99Å |
| 114 | A | 82.5 | Confident | 86.8 | Confident | 48 Ų | 48 | 46.5 Ų | 46.5 | 40% | 0.397 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -88.1 | -37.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N111 P112 | N111-A114 PolarHBondContact O-N 3.4Å; N111-A114 PolarHBondContact OD1-N 2.97Å; P112-A114 VanDerWaalsContact C-N 3.33Å; P112-A114 PolarHBondContact O-N 2.9Å |
| 115 | W | 86.2 | Confident | 86.9 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -97.6 | -33.6 | -171.8 | -72 | 102.9 | 0 | 0 | 0 | 113.8 | L50 R57 F107 N111 L118 V119 | L50-W115 HydrophobicContact CD1-CH2 4.11Å; L50-W115 HydrophobicContact CD1-CZ3 4.2Å; L50-W115 HydrophobicContact CG-CH2 4.15Å; L50-W115 HydrophobicContact CG-CZ3 4.43Å; R57-W115 HydrophobicContact CG-CH2 3.92Å; R57-W115 HydrophobicContact CG-CZ3 4.31Å; F107-W115 HydrophobicContact CB-CB 4.43Å; F107-W115 HydrophobicContact CB-CD2 3.95Å; F107-W115 HydrophobicContact CB-CG 3.9Å; F107-W115 HydrophobicContact CD2-CD2 4.29Å; F107-W115 HydrophobicContact CD2-CE3 4.28Å; F107-W115 AromaticContact CD2-CH2 3.87Å; F107-W115 HydrophobicContact CD2-CH2 3.87Å; F107-W115 AromaticContact CD2-CZ2 3.89Å; F107-W115 HydrophobicContact CD2-CZ2 3.89Å; F107-W115 HydrophobicContact CD2-CZ3 4.09Å; F107-W115 AromaticContact CE2-CH2 3.95Å; F107-W115 HydrophobicContact CE2-CH2 3.95Å; F107-W115 HydrophobicContact CE2-CZ2 4.09Å; F107-W115 HydrophobicContact CE2-CZ3 4.47Å; F107-W115 HydrophobicContact CG-CD2 4.35Å; F107-W115 HydrophobicContact CG-CZ2 4.19Å; N111-W115 PolarHBondContact O-N 2.88Å; W115-L118 HydrophobicContact CE3-CD2 4.32Å; W115-L118 HydrophobicContact CZ3-CD2 4.37Å; W115-L118 PolarHBondContact O-N 3.29Å; W115-V119 HydrophobicContact CE3-CG2 4.16Å; W115-V119 WeakPolarHBondContact O-CB 3.27Å; W115-V119 VanDerWaalsContact O-CG2 3.29Å; W115-V119 WeakPolarHBondContact O-CG2 3.42Å; W115-V119 PolarHBondContact O-N 3.42Å |
| 116 | A | 86.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | P112 S120 C169 M173 | P112-A116 WeakPolarHBondContact O-CB 3.5Å; P112-A116 PolarHBondContact O-N 3.01Å; A116-S120 WeakPolarHBondContact O-CB 3.43Å; A116-S120 PolarHBondContact O-N 3.1Å; A116-S120 PolarHBondContact O-OG 2.98Å; A116-C169 HydrophobicContact CB-CB 4.1Å; A116-M173 HydrophobicContact CB-CE 4.03Å; A116-M173 HydrophobicContact CB-CG 3.7Å; A116-M173 HydrophobicContact CB-SD 3.82Å |
| 117 | P | 86.2 | Confident | 87.2 | Confident | 49 Ų | 49 | 44 Ų | 44 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 175.5 | -22.4 | 33.9 | 0 | 0 | 0 | 113.5 | S120 T121 M173 W176 | P117-S120 WeakPolarHBondContact CA-OG 3.39Å; P117-S120 PolarHBondContact O-OG 3.02Å; P117-T121 WeakPolarHBondContact O-CB 3.47Å; P117-T121 VanDerWaalsContact O-CG2 3.32Å; P117-T121 WeakPolarHBondContact O-CG2 3.34Å; P117-T121 PolarHBondContact O-N 3.26Å; P117-T121 PolarHBondContact O-OG1 2.76Å; P117-M173 HydrophobicContact CB-SD 4.36Å; P117-M173 HydrophobicContact CG-SD 3.81Å; P117-W176 HydrophobicContact CG-CH2 4.04Å |
| 118 | L | 86 | Confident | 87.3 | Confident | 67 Ų | 67 | 42.8 Ų | 42.8 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -72.2 | -43.9 | -179.5 | -177.4 | 69.7 | 0 | 0 | 0 | 111.8 | L61 W115 T121 W122 | L61-L118 HydrophobicContact CD1-CD2 4.07Å; L61-L118 HydrophobicContact CD1-CG 4.08Å; W115-L118 HydrophobicContact CE3-CD2 4.32Å; W115-L118 HydrophobicContact CZ3-CD2 4.37Å; W115-L118 PolarHBondContact O-N 3.29Å; L118-T121 PolarHBondContact O-OG1 3.06Å; L118-T121 VanDerWaalsContact O-OG1 3.07Å; L118-W122 WeakPolarHBondContact O-CB 3.49Å; L118-W122 PolarHBondContact O-N 3Å; L118-W122 VanDerWaalsContact O-N 3.17Å |
| 119 | V | 88.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.9 | -37.3 | -177.8 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | L104 I108 W115 W122 A123 | L104-V119 HydrophobicContact CD2-CG2 4.15Å; I108-V119 HydrophobicContact CD1-CG1 4.16Å; W115-V119 HydrophobicContact CE3-CG2 4.16Å; W115-V119 WeakPolarHBondContact O-CB 3.27Å; W115-V119 VanDerWaalsContact O-CG2 3.29Å; W115-V119 WeakPolarHBondContact O-CG2 3.42Å; W115-V119 PolarHBondContact O-N 3.42Å; V119-W122 HydrophobicContact CG1-CE3 4.49Å; V119-W122 PolarHBondContact O-N 2.91Å; V119-A123 WeakPolarHBondContact O-CB 3.42Å; V119-A123 PolarHBondContact O-N 3.25Å |
| 120 | S | 88.4 | Confident | 87.5 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -47.8 | 175.9 | 53 | 0 | 0 | 0 | 0 | 112.3 | A116 P117 W122 A123 V124 Y166 M173 | A116-S120 WeakPolarHBondContact O-CB 3.43Å; A116-S120 PolarHBondContact O-N 3.1Å; A116-S120 PolarHBondContact O-OG 2.98Å; P117-S120 WeakPolarHBondContact CA-OG 3.39Å; P117-S120 PolarHBondContact O-OG 3.02Å; S120-W122 PolarHBondContact O-N 2.69Å; S120-A123 PolarHBondContact O-N 3.45Å; S120-V124 WeakPolarHBondContact O-CB 3.42Å; S120-V124 VanDerWaalsContact O-CG1 3.32Å; S120-V124 WeakPolarHBondContact O-CG1 3.44Å; S120-V124 PolarHBondContact O-N 3.41Å; S120-Y166 WeakPolarHBondContact O-CD2 3.29Å; S120-M173 WeakPolarHBondContact OG-CE 3.36Å |
| 121 | T | 88.1 | Confident | 87.6 | Confident | 65 Ų | 65 | 33.2 Ų | 33.2 | 40% | 0.399 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63 | -41.5 | 177.8 | 48.9 | 0 | 0 | 0 | 0 | 112 | P117 L118 D125 A184 | P117-T121 WeakPolarHBondContact O-CB 3.47Å; P117-T121 VanDerWaalsContact O-CG2 3.32Å; P117-T121 WeakPolarHBondContact O-CG2 3.34Å; P117-T121 PolarHBondContact O-N 3.26Å; P117-T121 PolarHBondContact O-OG1 2.76Å; L118-T121 PolarHBondContact O-OG1 3.06Å; L118-T121 VanDerWaalsContact O-OG1 3.07Å; T121-D125 WeakPolarHBondContact O-CB 3.21Å; T121-D125 PolarHBondContact O-N 3.48Å; T121-A184 HydrophobicContact CG2-CB 4.06Å |
| 122 | W | 90.9 | Very high | 87.7 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -48.4 | 174.2 | 171.3 | 80.8 | 0 | 0 | 0 | 112.8 | L61 L64 Y68 L104 L118 V119 S120 L126 L162 | L61-W122 HydrophobicContact CB-CG 4.34Å; L61-W122 HydrophobicContact CD1-CG 4.48Å; L61-W122 HydrophobicContact CD2-CD2 3.97Å; L61-W122 HydrophobicContact CD2-CE3 4.31Å; L61-W122 HydrophobicContact CD2-CG 4.3Å; L61-W122 HydrophobicContact CD2-CZ2 4.32Å; L61-W122 PolarHBondContact O-NE1 3.37Å; L64-W122 HydrophobicContact CB-CZ2 4.07Å; Y68-W122 HydrophobicContact CD2-CH2 4.5Å; Y68-W122 HydrophobicContact CE2-CH2 4.14Å; L104-W122 HydrophobicContact CD1-CH2 4.18Å; L104-W122 HydrophobicContact CD1-CZ3 3.74Å; L118-W122 WeakPolarHBondContact O-CB 3.49Å; L118-W122 PolarHBondContact O-N 3Å; L118-W122 VanDerWaalsContact O-N 3.17Å; V119-W122 HydrophobicContact CG1-CE3 4.49Å; V119-W122 PolarHBondContact O-N 2.91Å; S120-W122 PolarHBondContact O-N 2.69Å; W122-L126 HydrophobicContact CH2-CD2 4.27Å; W122-L126 HydrophobicContact CZ2-CD2 3.84Å; W122-L126 VanDerWaalsContact O-CB 3.29Å; W122-L126 WeakPolarHBondContact O-CB 3.36Å; W122-L126 PolarHBondContact O-N 3.46Å; W122-L162 HydrophobicContact CE3-CD2 4.37Å; W122-L162 HydrophobicContact CH2-CD2 3.61Å; W122-L162 HydrophobicContact CZ2-CD2 4.49Å; W122-L162 HydrophobicContact CZ3-CD2 3.54Å |
| 123 | A | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V119 S120 L127 L162 | V119-A123 WeakPolarHBondContact O-CB 3.42Å; V119-A123 PolarHBondContact O-N 3.25Å; S120-A123 PolarHBondContact O-N 3.45Å; A123-L127 WeakPolarHBondContact O-CB 3.4Å; A123-L127 VanDerWaalsContact O-CG 3.26Å; A123-L127 WeakPolarHBondContact O-CG 3.32Å; A123-L127 PolarHBondContact O-N 3.32Å; A123-L162 HydrophobicContact CB-CD2 4.37Å |
| 124 | V | 90.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.4 | -41.7 | -178.6 | 80.9 | 0 | 0 | 0 | 0 | 112 | S120 L127 G128 Y166 A184 L185 F196 | S120-V124 WeakPolarHBondContact O-CB 3.42Å; S120-V124 VanDerWaalsContact O-CG1 3.32Å; S120-V124 WeakPolarHBondContact O-CG1 3.44Å; S120-V124 PolarHBondContact O-N 3.41Å; V124-L127 PolarHBondContact O-N 3.19Å; V124-G128 PolarHBondContact O-N 3.18Å; V124-Y166 HydrophobicContact CB-CD2 3.82Å; V124-Y166 HydrophobicContact CB-CE2 3.63Å; V124-Y166 HydrophobicContact CG1-CE2 4.29Å; V124-Y166 HydrophobicContact CG2-CD2 4.31Å; V124-Y166 HydrophobicContact CG2-CE2 3.88Å; V124-A184 HydrophobicContact CG1-CB 4.37Å; V124-L185 HydrophobicContact CG2-CB 4.32Å; V124-L185 HydrophobicContact CG2-CD1 3.47Å; V124-L185 VanDerWaalsContact CG2-CD1 3.47Å; V124-L185 HydrophobicContact CG2-CG 4.5Å; V124-F196 HydrophobicContact CG2-CE1 4.47Å; V124-F196 HydrophobicContact CG2-CE2 4.46Å; V124-F196 HydrophobicContact CG2-CZ 3.63Å |
| 125 | D | 89.3 | Confident | 87.4 | Confident | 42 Ų | 42 | 25.3 Ų | 25.3 | 23% | 0.225 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -44 | 175.9 | 177.2 | 44.7 | 0 | 0 | 0 | 111 | R65 T121 G128 Q129 | R65-D125 IonicContact CZ-OD2 3.09Å; R65-D125 IonicContact NH2-OD2 2.8Å; R65-D125 PolarHBondContact NH2-OD2 2.89Å; T121-D125 WeakPolarHBondContact O-CB 3.21Å; T121-D125 PolarHBondContact O-N 3.48Å; D125-G128 PolarHBondContact O-N 3.04Å; D125-Q129 WeakPolarHBondContact O-CG 3.42Å; D125-Q129 PolarHBondContact O-N 3.07Å; D125-Q129 PolarHBondContact OD1-NE2 3.23Å; D125-Q129 PolarHBondContact OD2-NE2 3.19Å; D125-Q129 VanDerWaalsContact OD2-NE2 3.07Å |
| 126 | L | 90.4 | Very high | 86.5 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 175 | -177.5 | 57.3 | 0 | 0 | 0 | 112 | R65 Y68 W122 G128 Q129 L130 L162 | R65-L126 HydrophobicContact CB-CD1 3.88Å; R65-L126 HydrophobicContact CB-CD2 4.45Å; R65-L126 HydrophobicContact CG-CD1 3.94Å; R65-L126 HydrophobicContact CG-CD2 4.18Å; Y68-L126 HydrophobicContact CG-CD2 4.19Å; W122-L126 HydrophobicContact CH2-CD2 4.27Å; W122-L126 HydrophobicContact CZ2-CD2 3.84Å; W122-L126 VanDerWaalsContact O-CB 3.29Å; W122-L126 WeakPolarHBondContact O-CB 3.36Å; W122-L126 PolarHBondContact O-N 3.46Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 3.37Å; L126-Q129 PolarHBondContact O-N 3.28Å; L126-L130 HydrophobicContact CD1-CD1 4.09Å; L126-L130 HydrophobicContact CD1-CD2 4.45Å; L126-L130 HydrophobicContact CD1-CG 4.01Å; L126-L130 HydrophobicContact CG-CD1 3.89Å; L126-L130 HydrophobicContact CG-CG 4.29Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 3.4Å; L126-L162 HydrophobicContact CB-CD1 4.39Å; L126-L162 HydrophobicContact CD2-CD1 3.65Å; L126-L162 HydrophobicContact CD2-CD2 3.9Å; L126-L162 HydrophobicContact CD2-CG 4.43Å; L126-L162 HydrophobicContact CG-CD1 3.83Å |
| 127 | L | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 174.2 | -78.2 | 167.8 | 0 | 0 | 0 | 112.1 | A123 V124 S131 T159 L162 F196 W198 V199 | A123-L127 WeakPolarHBondContact O-CB 3.4Å; A123-L127 VanDerWaalsContact O-CG 3.26Å; A123-L127 WeakPolarHBondContact O-CG 3.32Å; A123-L127 PolarHBondContact O-N 3.32Å; V124-L127 PolarHBondContact O-N 3.19Å; L127-S131 VanDerWaalsContact O-CB 3.25Å; L127-S131 WeakPolarHBondContact O-CB 3.31Å; L127-S131 PolarHBondContact O-N 3Å; L127-S131 PolarHBondContact O-OG 3.15Å; L127-T159 HydrophobicContact CD2-CG2 4.06Å; L127-L162 HydrophobicContact CD1-CB 4.06Å; L127-L162 HydrophobicContact CD2-CB 3.92Å; L127-L162 HydrophobicContact CD2-CD1 4.08Å; L127-L162 HydrophobicContact CG-CB 3.86Å; L127-L162 HydrophobicContact CG-CD1 4.12Å; L127-F196 HydrophobicContact CB-CE2 3.89Å; L127-W198 HydrophobicContact CD2-CH2 4Å; L127-W198 HydrophobicContact CD2-CZ2 4.23Å; L127-V199 HydrophobicContact CB-CG2 4.45Å; L127-V199 HydrophobicContact CD1-CG1 4.29Å |
| 128 | G | 88 | Confident | 85.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V124 D125 L126 S132 H192 F196 | V124-G128 PolarHBondContact O-N 3.18Å; D125-G128 PolarHBondContact O-N 3.04Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 3.37Å; G128-S132 WeakPolarHBondContact O-CB 3.31Å; G128-S132 PolarHBondContact O-N 3.39Å; G128-S132 PolarHBondContact O-OG 3.1Å; G128-H192 PolarHBondContact O-ND1 3.33Å; G128-F196 VanDerWaalsContact CA-CD2 3.44Å |
| 129 | Q | 88.8 | Confident | 84.1 | Confident | 79 Ų | 79 | 40.7 Ų | 40.7 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 178.2 | -69.4 | 172.9 | 27.1 | 0 | 0 | 111.8 | D125 L126 S132 K133 | D125-Q129 WeakPolarHBondContact O-CG 3.42Å; D125-Q129 PolarHBondContact O-N 3.07Å; D125-Q129 PolarHBondContact OD1-NE2 3.23Å; D125-Q129 PolarHBondContact OD2-NE2 3.19Å; D125-Q129 VanDerWaalsContact OD2-NE2 3.07Å; L126-Q129 PolarHBondContact O-N 3.28Å; Q129-S132 PolarHBondContact O-N 2.95Å; Q129-K133 WeakPolarHBondContact O-CB 3.37Å; Q129-K133 PolarHBondContact O-N 2.88Å |
| 130 | L | 88.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 177.6 | -68.4 | 171.6 | 0 | 0 | 0 | 111.3 | D69 V72 L126 S132 H134 T159 L162 | D69-L130 HydrophobicContact CB-CD2 3.93Å; V72-L130 HydrophobicContact CB-CD2 4.3Å; V72-L130 HydrophobicContact CG1-CD2 4.46Å; V72-L130 HydrophobicContact CG2-CD1 4.17Å; V72-L130 HydrophobicContact CG2-CD2 4.33Å; L126-L130 HydrophobicContact CD1-CD1 4.09Å; L126-L130 HydrophobicContact CD1-CD2 4.45Å; L126-L130 HydrophobicContact CD1-CG 4.01Å; L126-L130 HydrophobicContact CG-CD1 3.89Å; L126-L130 HydrophobicContact CG-CG 4.29Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 3.4Å; L130-S132 VanDerWaalsContact C-N 3.34Å; L130-S132 PolarHBondContact O-N 3.4Å; L130-H134 PolarHBondContact O-CD2 2.8Å; L130-H134 VanDerWaalsContact O-CD2 3.31Å; L130-H134 PolarHBondContact O-N 2.69Å; L130-T159 HydrophobicContact CD1-CG2 4.35Å; L130-L162 HydrophobicContact CD1-CD1 3.89Å |
| 131 | S | 87.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | -179.7 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | L127 A135 H195 W198 | L127-S131 VanDerWaalsContact O-CB 3.25Å; L127-S131 WeakPolarHBondContact O-CB 3.31Å; L127-S131 PolarHBondContact O-N 3Å; L127-S131 PolarHBondContact O-OG 3.15Å; S131-A135 WeakPolarHBondContact O-CB 3.46Å; S131-A135 PolarHBondContact O-N 3.46Å; S131-H195 WeakPolarHBondContact CB-O 3.48Å; S131-W198 PolarHBondContact OG-NE1 3.47Å; S131-W198 VanDerWaalsContact OG-NE1 3.1Å |
| 132 | S | 86.1 | Confident | 81.2 | Confident | 38 Ų | 38 | 46.6 Ų | 46.6 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78 | -40.5 | -178.6 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | G128 Q129 L130 H134 A135 H192 | G128-S132 WeakPolarHBondContact O-CB 3.31Å; G128-S132 PolarHBondContact O-N 3.39Å; G128-S132 PolarHBondContact O-OG 3.1Å; Q129-S132 PolarHBondContact O-N 2.95Å; L130-S132 VanDerWaalsContact C-N 3.34Å; L130-S132 PolarHBondContact O-N 3.4Å; S132-H134 VanDerWaalsContact C-N 3.26Å; S132-H134 PolarHBondContact O-N 3.03Å; S132-A135 WeakPolarHBondContact O-CB 3.17Å; S132-A135 PolarHBondContact O-N 3.41Å; S132-H192 VanDerWaalsContact OG-CB 3.28Å; S132-H192 WeakPolarHBondContact OG-CB 3.32Å; S132-H192 PolarHBondContact OG-ND1 2.92Å |
| 133 | K | 85.5 | Confident | 80 | Confident | 130 Ų | 130 | 47.6 Ų | 47.6 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.6 | -34.5 | -179 | -178 | -179.7 | 174.7 | -173.4 | 0 | 112 | D69 Q129 | D69-K133 IonicContact OD1-NZ 3.81Å; D69-K133 PolarHBondContact OD1-NZ 3.47Å; D69-K133 IonicContact OD2-NZ 3.73Å; D69-K133 PolarHBondContact OD2-NZ 2.85Å; Q129-K133 WeakPolarHBondContact O-CB 3.37Å; Q129-K133 PolarHBondContact O-N 2.88Å |
| 134 | H | 81.8 | Confident | 78.6 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 1.3 | -177.8 | -66.5 | -74.9 | 0 | 0 | 0 | 114.5 | D69 S73 L76 L130 S132 G136 R137 W153 | D69-H134 IonicContact OD1-NE2 2.83Å; S73-H134 PolarHBondContact OG-CE1 3.49Å; S73-H134 VanDerWaalsContact OG-CE1 3.25Å; L76-H134 HydrophobicContact CD1-CB 3.59Å; L130-H134 PolarHBondContact O-CD2 2.8Å; L130-H134 VanDerWaalsContact O-CD2 3.31Å; L130-H134 PolarHBondContact O-N 2.69Å; S132-H134 VanDerWaalsContact C-N 3.26Å; S132-H134 PolarHBondContact O-N 3.03Å; H134-G136 VanDerWaalsContact C-N 3.26Å; H134-G136 PolarHBondContact O-N 2.9Å; H134-R137 PolarHBondContact ND1-NE 3.02Å; H134-R137 PolarHBondContact O-N 3.46Å; H134-W153 HydrophobicContact CB-CH2 4.01Å |
| 135 | A | 76.3 | Confident | 77.9 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 19% | 0.19 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -28.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S131 S132 H195 | S131-A135 WeakPolarHBondContact O-CB 3.46Å; S131-A135 PolarHBondContact O-N 3.46Å; S132-A135 WeakPolarHBondContact O-CB 3.17Å; S132-A135 PolarHBondContact O-N 3.41Å; A135-H195 HydrophobicContact CB-CB 4.04Å; A135-H195 VanDerWaalsContact CB-CD2 3.48Å; A135-H195 WeakPolarHBondContact CB-CD2 3.23Å; A135-H195 WeakPolarHBondContact CB-ND1 3.38Å |
| 136 | G | 68.6 | Low | 77.5 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 85% | 0.845 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H134 | H134-G136 VanDerWaalsContact C-N 3.26Å; H134-G136 PolarHBondContact O-N 2.9Å |
| 137 | R | 76.9 | Confident | 77 | Confident | 81 Ų | 81 | 57 Ų | 57 | 31% | 0.306 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -76.4 | 148.3 | -180 | -72 | -171.6 | 172.4 | -137.1 | 10.3 | 111.1 | E80 H134 V139 A140 | E80-R137 WeakPolarHBondContact OE1-CD 3.35Å; E80-R137 IonicContact OE1-NH1 3.61Å; E80-R137 IonicContact OE2-NH1 2.62Å; E80-R137 PolarHBondContact OE2-NH1 3.24Å; H134-R137 PolarHBondContact ND1-NE 3.02Å; H134-R137 PolarHBondContact O-N 3.46Å; R137-V139 PolarHBondContact O-N 3.32Å; R137-V139 VanDerWaalsContact O-N 3.1Å; R137-A140 WeakPolarHBondContact O-CB 3.42Å; R137-A140 PolarHBondContact O-N 3.4Å |
| 138 | R | 65 | Low | 76.6 | Confident | 249 Ų | 249 | 62 Ų | 62 | 94% | 0.94 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26.4 | -176.4 | -72.4 | -172.4 | -173.3 | -174.3 | 2.8 | 114.1 | ||
| 139 | V | 65.8 | Low | 76.3 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -14 | -178.6 | 172 | 0 | 0 | 0 | 0 | 112.6 | L79 E80 R137 P141 | L79-V139 HydrophobicContact CB-CG1 4.15Å; L79-V139 HydrophobicContact CD2-CG1 3.63Å; L79-V139 HydrophobicContact CG-CG1 4.1Å; E80-V139 HydrophobicContact CB-CG2 4.17Å; E80-V139 HydrophobicContact CG-CB 4.07Å; E80-V139 HydrophobicContact CG-CG2 3.32Å; R137-V139 PolarHBondContact O-N 3.32Å; R137-V139 VanDerWaalsContact O-N 3.1Å; V139-P141 WeakPolarHBondContact O-CD 3.26Å |
| 140 | A | 67.5 | Low | 76.1 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -74.9 | 120.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R137 | R137-A140 WeakPolarHBondContact O-CB 3.42Å; R137-A140 PolarHBondContact O-N 3.4Å |
| 141 | P | 68.6 | Low | 76 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -64 | 159 | 176.7 | 21.7 | -27.5 | 0 | 0 | 0 | 111.3 | V139 E148 L149 L152 | V139-P141 WeakPolarHBondContact O-CD 3.26Å; P141-E148 HydrophobicContact CB-CB 3.89Å; P141-E148 HydrophobicContact CG-CB 3.92Å; P141-L149 HydrophobicContact CG-CD2 3.78Å; P141-L149 HydrophobicContact CG-CG 3.97Å; P141-L152 HydrophobicContact CG-CD2 4.46Å |
| 142 | H | 68.8 | Low | 75.9 | Confident | 137 Ų | 137 | 67.2 Ų | 67.2 | 63% | 0.634 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 143.3 | -177.7 | -159.3 | 78 | 0 | 0 | 0 | 110.9 | S144 S145 | H142-S144 PolarHBondContact CD2-OG 2.95Å; H142-S144 PolarHBondContact O-N 2.99Å; H142-S145 PolarHBondContact O-N 3.47Å |
| 143 | S | 64.1 | Low | 76.1 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -19.6 | -175.7 | 63.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 144 | S | 62.9 | Low | 76.2 | Confident | 101 Ų | 101 | 61.4 Ų | 61.4 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.9 | 175.5 | 65.8 | 0 | 0 | 0 | 0 | 114.2 | H142 L146 | H142-S144 PolarHBondContact CD2-OG 2.95Å; H142-S144 PolarHBondContact O-N 2.99Å; S144-L146 PolarHBondContact O-N 3.44Å |
| 145 | S | 75.1 | Confident | 76.4 | Confident | 31 Ų | 31 | 64 Ų | 64 | 22% | 0.217 | 35% | 0.35 | C | S | . | . | trans | -96.8 | 70.7 | -177.8 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | H142 N147 E148 L149 | H142-S145 PolarHBondContact O-N 3.47Å; S145-N147 VanDerWaalsContact C-N 3.28Å; S145-N147 PolarHBondContact O-N 2.97Å; S145-E148 VanDerWaalsContact CB-OE2 3.25Å; S145-E148 WeakPolarHBondContact CB-OE2 3.41Å; S145-E148 PolarHBondContact O-N 3.42Å; S145-E148 VanDerWaalsContact OG-CG 3.3Å; S145-E148 WeakPolarHBondContact OG-CG 3.39Å; S145-E148 PolarHBondContact OG-OE2 2.77Å; S145-L149 PolarHBondContact O-N 3.43Å; S145-L149 VanDerWaalsContact O-N 3.08Å | ||
| 146 | L | 80.1 | Confident | 76.9 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -34.2 | -171.6 | -168.3 | 111.3 | 0 | 0 | 0 | 113.2 | S144 L149 L150 D197 A201 H253 | S144-L146 PolarHBondContact O-N 3.44Å; L146-L149 PolarHBondContact O-N 3.3Å; L146-L150 WeakPolarHBondContact O-CB 3.22Å; L146-L150 PolarHBondContact O-N 3.22Å; L146-D197 HydrophobicContact CD1-CB 3.66Å; L146-A201 HydrophobicContact CD1-CB 4.36Å; L146-A201 HydrophobicContact CD2-CB 3.47Å; L146-A201 VanDerWaalsContact CD2-CB 3.47Å; L146-A201 HydrophobicContact CG-CB 4.39Å; L146-H253 HydrophobicContact CD2-CB 3.38Å; L146-H253 VanDerWaalsContact CD2-CG 3.43Å |
| 147 | N | 80.5 | Confident | 77.8 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.8 | -75.9 | -15.8 | 0 | 0 | 0 | 112.3 | S145 L150 Q151 H253 | S145-N147 VanDerWaalsContact C-N 3.28Å; S145-N147 PolarHBondContact O-N 2.97Å; N147-L150 PolarHBondContact O-N 3.45Å; N147-Q151 WeakPolarHBondContact O-CG 3.48Å; N147-Q151 PolarHBondContact O-N 2.82Å; N147-H253 PolarHBondContact OD1-CE1 2.97Å; N147-H253 PolarHBondContact OD1-ND1 3.25Å |
| 148 | E | 81.4 | Confident | 78.3 | Confident | 106 Ų | 106 | 55.8 Ų | 55.8 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 178.9 | -68 | 171.8 | 173.6 | 0 | 0 | 111.2 | P141 S145 Q151 L152 | P141-E148 HydrophobicContact CB-CB 3.89Å; P141-E148 HydrophobicContact CG-CB 3.92Å; S145-E148 VanDerWaalsContact CB-OE2 3.25Å; S145-E148 WeakPolarHBondContact CB-OE2 3.41Å; S145-E148 PolarHBondContact O-N 3.42Å; S145-E148 VanDerWaalsContact OG-CG 3.3Å; S145-E148 WeakPolarHBondContact OG-CG 3.39Å; S145-E148 PolarHBondContact OG-OE2 2.77Å; E148-Q151 PolarHBondContact O-N 3.43Å; E148-L152 WeakPolarHBondContact O-CB 3.29Å; E148-L152 PolarHBondContact O-N 3.49Å |
| 149 | L | 83.1 | Confident | 79.5 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 172.4 | -77.2 | 170.1 | 0 | 0 | 0 | 111.7 | P141 S145 L146 Q151 L152 W153 W198 | P141-L149 HydrophobicContact CG-CD2 3.78Å; P141-L149 HydrophobicContact CG-CG 3.97Å; S145-L149 PolarHBondContact O-N 3.43Å; S145-L149 VanDerWaalsContact O-N 3.08Å; L146-L149 PolarHBondContact O-N 3.3Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; L149-Q151 PolarHBondContact O-N 2.85Å; L149-L152 PolarHBondContact O-N 3.12Å; L149-W153 PolarHBondContact O-N 2.96Å; L149-W198 HydrophobicContact CB-CB 4.17Å |
| 150 | L | 84.7 | Confident | 80.7 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 179.2 | -169.2 | 143.4 | 0 | 0 | 0 | 111 | L146 N147 M154 W198 H202 | L146-L150 WeakPolarHBondContact O-CB 3.22Å; L146-L150 PolarHBondContact O-N 3.22Å; N147-L150 PolarHBondContact O-N 3.45Å; L150-M154 HydrophobicContact CD2-CG 4.15Å; L150-M154 HydrophobicContact CG-CG 4.3Å; L150-M154 WeakPolarHBondContact O-CB 3.15Å; L150-M154 WeakPolarHBondContact O-CG 3.4Å; L150-M154 PolarHBondContact O-N 3.49Å; L150-W198 HydrophobicContact CB-CB 4.42Å; L150-H202 HydrophobicContact CD1-CB 3.84Å |
| 151 | Q | 85.6 | Confident | 81.8 | Confident | 138 Ų | 138 | 44.9 Ų | 44.9 | 65% | 0.645 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.3 | -45.9 | 174.8 | -75 | 178.1 | -11.6 | 0 | 0 | 112.5 | N147 E148 L149 S155 | N147-Q151 WeakPolarHBondContact O-CG 3.48Å; N147-Q151 PolarHBondContact O-N 2.82Å; E148-Q151 PolarHBondContact O-N 3.43Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; L149-Q151 PolarHBondContact O-N 2.85Å; Q151-S155 WeakPolarHBondContact O-CB 3.4Å; Q151-S155 PolarHBondContact O-N 3.19Å; Q151-S155 VanDerWaalsContact O-N 3.08Å |
| 152 | L | 86.8 | Confident | 82.9 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -54.4 | 177.7 | 177 | 66.4 | 0 | 0 | 0 | 111 | F75 L76 L79 P141 E148 L149 M154 S155 | F75-L152 HydrophobicContact CE1-CD1 4.31Å; L76-L152 HydrophobicContact CD2-CD1 4.37Å; L76-L152 HydrophobicContact CD2-CD2 4.48Å; L79-L152 HydrophobicContact CD2-CD1 3.41Å; L79-L152 VanDerWaalsContact CD2-CD1 3.41Å; P141-L152 HydrophobicContact CG-CD2 4.46Å; E148-L152 WeakPolarHBondContact O-CB 3.29Å; E148-L152 PolarHBondContact O-N 3.49Å; L149-L152 PolarHBondContact O-N 3.12Å; L152-M154 PolarHBondContact O-N 2.93Å; L152-S155 PolarHBondContact O-N 3.29Å; L152-S155 PolarHBondContact O-OG 2.95Å |
| 153 | W | 88.3 | Confident | 83.9 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.6 | -31.3 | -175 | -68.1 | 117.3 | 0 | 0 | 0 | 113.1 | V72 L76 H134 L149 S155 C156 T159 W198 | V72-W153 HydrophobicContact CG1-CH2 4.34Å; V72-W153 HydrophobicContact CG1-CZ3 3.77Å; L76-W153 HydrophobicContact CD1-CH2 4.26Å; H134-W153 HydrophobicContact CB-CH2 4.01Å; L149-W153 PolarHBondContact O-N 2.96Å; W153-S155 VanDerWaalsContact C-N 3.28Å; W153-S155 PolarHBondContact O-N 3.28Å; W153-C156 PolarHBondContact O-N 3.48Å; W153-T159 HydrophobicContact CE3-CG2 3.71Å; W153-T159 HydrophobicContact CZ3-CG2 4.1Å; W153-T159 PolarHBondContact O-OG1 2.99Å; W153-W198 HydrophobicContact CB-CD2 4.01Å; W153-W198 HydrophobicContact CB-CE3 3.97Å; W153-W198 HydrophobicContact CB-CH2 3.5Å; W153-W198 VanDerWaalsContact CB-CH2 3.5Å; W153-W198 HydrophobicContact CB-CZ2 3.53Å; W153-W198 HydrophobicContact CB-CZ3 3.71Å; W153-W198 AromaticContact CD1-CD1 3.64Å; W153-W198 AromaticContact CD1-CD2 3.76Å; W153-W198 AromaticContact CD1-CE2 3.38Å; W153-W198 AromaticContact CD1-CG 3.93Å; W153-W198 AromaticContact CD1-CZ2 3.89Å; W153-W198 AromaticContact CD1-NE1 3.3Å; W153-W198 VanDerWaalsContact CD1-NE1 3.3Å; W153-W198 HydrophobicContact CD2-CZ2 4.14Å; W153-W198 HydrophobicContact CG-CD2 4.1Å; W153-W198 AromaticContact CG-CE2 3.57Å; W153-W198 HydrophobicContact CG-CH2 4.1Å; W153-W198 AromaticContact CG-CZ2 3.58Å; W153-W198 HydrophobicContact CG-CZ2 3.58Å; W153-W198 AromaticContact CG-NE1 3.9Å; W153-W198 AromaticContact NE1-CD1 3.98Å; W153-W198 AromaticContact NE1-NE1 3.57Å |
| 154 | M | 88.6 | Confident | 85.1 | Confident | 41 Ų | 41 | 40 Ų | 40 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.4 | -17.1 | 174.3 | -66.2 | -59.7 | -67 | 0 | 0 | 113 | L150 L152 R160 M163 W198 | L150-M154 HydrophobicContact CD2-CG 4.15Å; L150-M154 HydrophobicContact CG-CG 4.3Å; L150-M154 WeakPolarHBondContact O-CB 3.15Å; L150-M154 WeakPolarHBondContact O-CG 3.4Å; L150-M154 PolarHBondContact O-N 3.49Å; L152-M154 PolarHBondContact O-N 2.93Å; M154-R160 HydrophobicContact CE-CG 4.01Å; M154-R160 VanDerWaalsContact O-CZ 3.3Å; M154-R160 PolarHBondContact O-NE 3.32Å; M154-R160 PolarHBondContact O-NH2 3.46Å; M154-M163 HydrophobicContact SD-CG 4.28Å; M154-W198 HydrophobicContact SD-CZ3 4.25Å |
| 155 | S | 85.7 | Confident | 86.3 | Confident | 59 Ų | 59 | 35.2 Ų | 35.2 | 41% | 0.413 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -75.6 | -22.9 | 173.7 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | F75 Q151 L152 W153 R160 | F75-S155 VanDerWaalsContact CZ-OG 3.26Å; F75-S155 WeakPolarHBondContact CZ-OG 3.42Å; Q151-S155 WeakPolarHBondContact O-CB 3.4Å; Q151-S155 PolarHBondContact O-N 3.19Å; Q151-S155 VanDerWaalsContact O-N 3.08Å; L152-S155 PolarHBondContact O-N 3.29Å; L152-S155 PolarHBondContact O-OG 2.95Å; W153-S155 VanDerWaalsContact C-N 3.28Å; W153-S155 PolarHBondContact O-N 3.28Å; S155-R160 VanDerWaalsContact C-NH2 3.28Å; S155-R160 PolarHBondContact O-NH2 3.03Å |
| 156 | C | 87.9 | Confident | 87 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -83.6 | 126.2 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | F75 W153 A158 T159 R160 | F75-C156 HydrophobicContact CD1-CB 3.62Å; F75-C156 HydrophobicContact CD2-CB 4.3Å; F75-C156 HydrophobicContact CE1-CB 3.68Å; F75-C156 HydrophobicContact CE2-CB 4.35Å; F75-C156 HydrophobicContact CG-CB 3.96Å; F75-C156 HydrophobicContact CZ-CB 4.07Å; W153-C156 PolarHBondContact O-N 3.48Å; C156-A158 VanDerWaalsContact C-N 3.32Å; C156-A158 PolarHBondContact O-N 3Å; C156-T159 VanDerWaalsContact CB-OG1 3.32Å; C156-T159 WeakPolarHBondContact CB-OG1 3.35Å; C156-T159 PolarHBondContact O-N 3.36Å; C156-T159 PolarHBondContact O-OG1 2.87Å; C156-R160 WeakPolarHBondContact O-CB 3.49Å; C156-R160 PolarHBondContact O-N 3.49Å |
| 157 | A | 86.9 | Confident | 87.4 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -35.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E94 S161 | E94-A157 HydrophobicContact CG-CB 3.85Å; E94-A157 WeakPolarHBondContact OE1-CB 3.48Å; A157-S161 WeakPolarHBondContact O-CB 3.4Å; A157-S161 PolarHBondContact O-N 2.87Å |
| 158 | A | 87.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -51 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y68 H71 V72 I97 C156 S161 L162 | Y68-A158 HydrophobicContact CD1-CB 3.76Å; Y68-A158 HydrophobicContact CE1-CB 4.27Å; Y68-A158 VanDerWaalsContact CE1-O 3.27Å; Y68-A158 WeakPolarHBondContact CE1-O 3.37Å; H71-A158 HydrophobicContact CB-CB 4.16Å; V72-A158 HydrophobicContact CG2-CB 3.87Å; I97-A158 HydrophobicContact CD1-CB 4.24Å; I97-A158 HydrophobicContact CG1-CB 4.43Å; C156-A158 VanDerWaalsContact C-N 3.32Å; C156-A158 PolarHBondContact O-N 3Å; A158-S161 WeakPolarHBondContact O-CB 3.42Å; A158-S161 PolarHBondContact O-N 3.46Å; A158-L162 WeakPolarHBondContact O-CG 3.49Å; A158-L162 PolarHBondContact O-N 3.02Å; A158-L162 VanDerWaalsContact O-N 3.09Å |
| 159 | T | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.8 | -34.5 | 177.8 | 39.7 | 0 | 0 | 0 | 0 | 112.5 | V72 L127 L130 W153 C156 L162 M163 | V72-T159 HydrophobicContact CG2-CG2 4.16Å; L127-T159 HydrophobicContact CD2-CG2 4.06Å; L130-T159 HydrophobicContact CD1-CG2 4.35Å; W153-T159 HydrophobicContact CE3-CG2 3.71Å; W153-T159 HydrophobicContact CZ3-CG2 4.1Å; W153-T159 PolarHBondContact O-OG1 2.99Å; C156-T159 VanDerWaalsContact CB-OG1 3.32Å; C156-T159 WeakPolarHBondContact CB-OG1 3.35Å; C156-T159 PolarHBondContact O-N 3.36Å; C156-T159 PolarHBondContact O-OG1 2.87Å; T159-L162 PolarHBondContact O-N 3.05Å; T159-M163 VanDerWaalsContact O-CB 3.31Å; T159-M163 WeakPolarHBondContact O-CB 3.2Å; T159-M163 PolarHBondContact O-N 3.27Å |
| 160 | R | 90.6 | Very high | 88.1 | Confident | 80 Ų | 80 | 27.9 Ų | 27.9 | 30% | 0.302 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -61 | -46.9 | 171.9 | -167.9 | -170.8 | -49.5 | 125.1 | 7 | 111.7 | M154 S155 C156 L162 M163 E164 | M154-R160 HydrophobicContact CE-CG 4.01Å; M154-R160 VanDerWaalsContact O-CZ 3.3Å; M154-R160 PolarHBondContact O-NE 3.32Å; M154-R160 PolarHBondContact O-NH2 3.46Å; S155-R160 VanDerWaalsContact C-NH2 3.28Å; S155-R160 PolarHBondContact O-NH2 3.03Å; C156-R160 WeakPolarHBondContact O-CB 3.49Å; C156-R160 PolarHBondContact O-N 3.49Å; R160-L162 PolarHBondContact O-N 3.15Å; R160-M163 WeakPolarHBondContact O-CB 3.39Å; R160-M163 PolarHBondContact O-N 3.3Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 2.96Å |
| 161 | S | 90.5 | Very high | 88.1 | Confident | 8 Ų | 8 | 29 Ų | 29 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 176.3 | 164.6 | 0 | 0 | 0 | 0 | 112.5 | Y68 H101 A157 A158 E164 S165 | Y68-S161 PolarHBondContact OH-OG 3.24Å; H101-S161 WeakPolarHBondContact CB-OG 3.39Å; H101-S161 PolarHBondContact ND1-O 2.84Å; H101-S161 PolarHBondContact ND1-OG 2.98Å; A157-S161 WeakPolarHBondContact O-CB 3.4Å; A157-S161 PolarHBondContact O-N 2.87Å; A158-S161 WeakPolarHBondContact O-CB 3.42Å; A158-S161 PolarHBondContact O-N 3.46Å; S161-E164 PolarHBondContact O-N 2.89Å; S161-S165 PolarHBondContact O-N 2.87Å; S161-S165 PolarHBondContact O-OG 3.1Å |
| 162 | L | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 176.1 | -68.3 | 173.2 | 0 | 0 | 0 | 111.9 | Y68 W122 A123 L126 L127 L130 A158 T159 R160 S165 Y166 | Y68-L162 HydrophobicContact CD1-CD1 3.64Å; Y68-L162 HydrophobicContact CD1-CD2 3.87Å; Y68-L162 HydrophobicContact CD1-CG 3.58Å; Y68-L162 HydrophobicContact CE1-CD1 4.11Å; Y68-L162 HydrophobicContact CE1-CD2 3.63Å; Y68-L162 HydrophobicContact CE1-CG 3.49Å; Y68-L162 VanDerWaalsContact CE1-CG 3.49Å; Y68-L162 HydrophobicContact CG-CD1 4.4Å; Y68-L162 HydrophobicContact CG-CD2 4.5Å; W122-L162 HydrophobicContact CE3-CD2 4.37Å; W122-L162 HydrophobicContact CH2-CD2 3.61Å; W122-L162 HydrophobicContact CZ2-CD2 4.49Å; W122-L162 HydrophobicContact CZ3-CD2 3.54Å; A123-L162 HydrophobicContact CB-CD2 4.37Å; L126-L162 HydrophobicContact CB-CD1 4.39Å; L126-L162 HydrophobicContact CD2-CD1 3.65Å; L126-L162 HydrophobicContact CD2-CD2 3.9Å; L126-L162 HydrophobicContact CD2-CG 4.43Å; L126-L162 HydrophobicContact CG-CD1 3.83Å; L127-L162 HydrophobicContact CD1-CB 4.06Å; L127-L162 HydrophobicContact CD2-CB 3.92Å; L127-L162 HydrophobicContact CD2-CD1 4.08Å; L127-L162 HydrophobicContact CG-CB 3.86Å; L127-L162 HydrophobicContact CG-CD1 4.12Å; L130-L162 HydrophobicContact CD1-CD1 3.89Å; A158-L162 WeakPolarHBondContact O-CG 3.49Å; A158-L162 PolarHBondContact O-N 3.02Å; A158-L162 VanDerWaalsContact O-N 3.09Å; T159-L162 PolarHBondContact O-N 3.05Å; R160-L162 PolarHBondContact O-N 3.15Å; L162-S165 PolarHBondContact O-N 2.64Å; L162-Y166 VanDerWaalsContact O-CB 3.32Å; L162-Y166 WeakPolarHBondContact O-CB 3.27Å; L162-Y166 PolarHBondContact O-N 3.06Å |
| 163 | M | 89.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 178.2 | -176.9 | 63.3 | 91.7 | 0 | 0 | 111.7 | M154 T159 R160 Y166 S167 W198 V199 H202 I203 | M154-M163 HydrophobicContact SD-CG 4.28Å; T159-M163 VanDerWaalsContact O-CB 3.31Å; T159-M163 WeakPolarHBondContact O-CB 3.2Å; T159-M163 PolarHBondContact O-N 3.27Å; R160-M163 WeakPolarHBondContact O-CB 3.39Å; R160-M163 PolarHBondContact O-N 3.3Å; M163-Y166 PolarHBondContact O-N 3.32Å; M163-S167 WeakPolarHBondContact O-CB 3.27Å; M163-S167 PolarHBondContact O-N 2.95Å; M163-W198 HydrophobicContact CE-CE3 4Å; M163-W198 HydrophobicContact CE-CH2 4.04Å; M163-W198 HydrophobicContact CE-CZ3 3.4Å; M163-W198 VanDerWaalsContact CE-CZ3 3.4Å; M163-V199 HydrophobicContact CE-CB 4.11Å; M163-V199 HydrophobicContact CE-CG1 3.74Å; M163-V199 HydrophobicContact CE-CG2 4.23Å; M163-V199 HydrophobicContact SD-CG1 4.28Å; M163-H202 HydrophobicContact CE-CB 3.67Å; M163-H202 VanDerWaalsContact CG-CD2 3.47Å; M163-H202 WeakPolarHBondContact CG-CD2 3.29Å; M163-I203 HydrophobicContact SD-CD1 3.51Å; M163-I203 VanDerWaalsContact SD-CD1 3.51Å; M163-I203 HydrophobicContact SD-CG1 3.77Å |
| 164 | E | 89.5 | Confident | 87.3 | Confident | 94 Ų | 94 | 25.6 Ų | 25.6 | 44% | 0.439 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 176.9 | -74.6 | 172.2 | -172.2 | 0 | 0 | 111.7 | H101 R160 S161 Y166 S167 Q168 | H101-E164 IonicContact CE1-OE2 3.97Å; H101-E164 IonicContact NE2-OE2 2.8Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 2.96Å; S161-E164 PolarHBondContact O-N 2.89Å; E164-Y166 VanDerWaalsContact C-N 3.32Å; E164-Y166 PolarHBondContact O-N 3.3Å; E164-S167 PolarHBondContact O-N 3.3Å; E164-Q168 WeakPolarHBondContact O-CB 3.37Å; E164-Q168 PolarHBondContact O-N 3.36Å |
| 165 | S | 88.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 175.2 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | H101 S161 L162 Q168 C169 | H101-S165 PolarHBondContact CE1-OG 3.43Å; H101-S165 PolarHBondContact ND1-OG 3.49Å; S161-S165 PolarHBondContact O-N 2.87Å; S161-S165 PolarHBondContact O-OG 3.1Å; L162-S165 PolarHBondContact O-N 2.64Å; S165-Q168 PolarHBondContact O-N 2.88Å; S165-C169 PolarHBondContact O-N 3.23Å; S165-C169 PolarHBondContact O-SG 2.9Å |
| 166 | Y | 89.9 | Confident | 86 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 176.7 | -177.7 | -93.2 | 0 | 0 | 0 | 112.2 | S120 V124 L162 M163 E164 Q168 C169 L170 C181 L185 I203 | S120-Y166 WeakPolarHBondContact O-CD2 3.29Å; V124-Y166 HydrophobicContact CB-CD2 3.82Å; V124-Y166 HydrophobicContact CB-CE2 3.63Å; V124-Y166 HydrophobicContact CG1-CE2 4.29Å; V124-Y166 HydrophobicContact CG2-CD2 4.31Å; V124-Y166 HydrophobicContact CG2-CE2 3.88Å; L162-Y166 VanDerWaalsContact O-CB 3.32Å; L162-Y166 WeakPolarHBondContact O-CB 3.27Å; L162-Y166 PolarHBondContact O-N 3.06Å; M163-Y166 PolarHBondContact O-N 3.32Å; E164-Y166 VanDerWaalsContact C-N 3.32Å; E164-Y166 PolarHBondContact O-N 3.3Å; Y166-Q168 VanDerWaalsContact C-N 3.33Å; Y166-Q168 PolarHBondContact O-N 3.5Å; Y166-C169 WeakPolarHBondContact O-CB 3.5Å; Y166-C169 PolarHBondContact O-N 3.41Å; Y166-L170 HydrophobicContact CE1-CD2 4.43Å; Y166-L170 PolarHBondContact O-N 3.25Å; Y166-C181 PolarHBondContact OH-O 3.34Å; Y166-C181 VanDerWaalsContact OH-O 3.05Å; Y166-C181 PolarHBondContact OH-SG 3.03Å; Y166-L185 HydrophobicContact CE1-CD1 4.28Å; Y166-L185 HydrophobicContact CE1-CD2 4.47Å; Y166-L185 WeakPolarHBondContact OH-CB 3.26Å; Y166-I203 HydrophobicContact CD1-CD1 3.63Å; Y166-I203 HydrophobicContact CD1-CG1 3.91Å; Y166-I203 HydrophobicContact CE1-CD1 4.02Å; Y166-I203 HydrophobicContact CE1-CG1 3.92Å; Y166-I203 HydrophobicContact CE1-CG2 4.23Å |
| 167 | S | 87.9 | Confident | 85.3 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 22% | 0.217 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | M163 E164 L170 A171 | M163-S167 WeakPolarHBondContact O-CB 3.27Å; M163-S167 PolarHBondContact O-N 2.95Å; E164-S167 PolarHBondContact O-N 3.3Å; S167-L170 PolarHBondContact O-N 3.25Å; S167-A171 WeakPolarHBondContact O-CB 3.35Å; S167-A171 PolarHBondContact O-N 3.36Å |
| 168 | Q | 87.7 | Confident | 84.5 | Confident | 66 Ų | 66 | 33.7 Ų | 33.7 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.4 | -40.6 | 175.3 | -167.1 | -175.5 | 7.2 | 0 | 0 | 112.1 | S105 I108 E164 S165 Y166 A171 A172 | S105-Q168 VanDerWaalsContact CB-OE1 3.29Å; S105-Q168 PolarHBondContact O-NE2 2.96Å; S105-Q168 PolarHBondContact OG-OE1 3.38Å; I108-Q168 HydrophobicContact CG2-CG 4.09Å; E164-Q168 WeakPolarHBondContact O-CB 3.37Å; E164-Q168 PolarHBondContact O-N 3.36Å; S165-Q168 PolarHBondContact O-N 2.88Å; Y166-Q168 VanDerWaalsContact C-N 3.33Å; Y166-Q168 PolarHBondContact O-N 3.5Å; Q168-A171 PolarHBondContact O-N 3.04Å; Q168-A172 WeakPolarHBondContact O-CB 3.4Å; Q168-A172 PolarHBondContact O-N 3.48Å |
| 169 | C | 87.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 173.4 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | I108 A116 S165 Y166 A172 M173 | I108-C169 WeakPolarHBondContact CD1-SG 3.32Å; A116-C169 HydrophobicContact CB-CB 4.1Å; S165-C169 PolarHBondContact O-N 3.23Å; S165-C169 PolarHBondContact O-SG 2.9Å; Y166-C169 WeakPolarHBondContact O-CB 3.5Å; Y166-C169 PolarHBondContact O-N 3.41Å; C169-A172 PolarHBondContact O-N 2.84Å; C169-M173 HydrophobicContact CB-CE 4.06Å; C169-M173 WeakPolarHBondContact O-CB 3.17Å; C169-M173 WeakPolarHBondContact O-CE 3.49Å; C169-M173 WeakPolarHBondContact O-CG 3.44Å; C169-M173 PolarHBondContact O-N 3.46Å |
| 170 | L | 85 | Confident | 82.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -48.1 | 178 | -176.7 | 59.9 | 0 | 0 | 0 | 110.6 | Y166 S167 A172 M173 L174 C181 V182 I203 F207 | Y166-L170 HydrophobicContact CE1-CD2 4.43Å; Y166-L170 PolarHBondContact O-N 3.25Å; S167-L170 PolarHBondContact O-N 3.25Å; L170-A172 VanDerWaalsContact C-N 3.27Å; L170-A172 PolarHBondContact O-N 3.19Å; L170-M173 PolarHBondContact O-N 3.5Å; L170-L174 VanDerWaalsContact O-CG 3.32Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 2.9Å; L170-C181 HydrophobicContact CD1-CB 3.92Å; L170-V182 HydrophobicContact CD1-CG2 4.05Å; L170-I203 HydrophobicContact CD2-CG2 3.54Å; L170-F207 HydrophobicContact CB-CE2 4.34Å; L170-F207 HydrophobicContact CD2-CD2 3.41Å; L170-F207 VanDerWaalsContact CD2-CD2 3.41Å; L170-F207 HydrophobicContact CD2-CE2 3.72Å; L170-F207 HydrophobicContact CD2-CG 4.06Å; L170-F207 HydrophobicContact CG-CD2 4.13Å; L170-F207 HydrophobicContact CG-CE2 4.09Å |
| 171 | A | 84.5 | Confident | 82.1 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.5 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S167 Q168 M173 F207 | S167-A171 WeakPolarHBondContact O-CB 3.35Å; S167-A171 PolarHBondContact O-N 3.36Å; Q168-A171 PolarHBondContact O-N 3.04Å; A171-M173 VanDerWaalsContact C-N 3.34Å; A171-M173 PolarHBondContact O-N 3.14Å; A171-F207 HydrophobicContact CB-CZ 4.06Å |
| 172 | A | 83.8 | Confident | 81.6 | Confident | 33 Ų | 33 | 34.8 Ų | 34.8 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.5 | -21 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I108 P112 Q168 C169 L170 W176 | I108-A172 HydrophobicContact CG2-CB 4.31Å; P112-A172 HydrophobicContact CB-CB 4.08Å; Q168-A172 WeakPolarHBondContact O-CB 3.4Å; Q168-A172 PolarHBondContact O-N 3.48Å; C169-A172 PolarHBondContact O-N 2.84Å; L170-A172 VanDerWaalsContact C-N 3.27Å; L170-A172 PolarHBondContact O-N 3.19Å; A172-W176 PolarHBondContact O-NE1 2.96Å |
| 173 | M | 82.3 | Confident | 81 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -97.3 | -18.9 | -179.9 | -71.5 | -169 | -71.6 | 0 | 0 | 114.5 | A116 P117 S120 C169 L170 A171 A175 W176 C177 C181 | A116-M173 HydrophobicContact CB-CE 4.03Å; A116-M173 HydrophobicContact CB-CG 3.7Å; A116-M173 HydrophobicContact CB-SD 3.82Å; P117-M173 HydrophobicContact CB-SD 4.36Å; P117-M173 HydrophobicContact CG-SD 3.81Å; S120-M173 WeakPolarHBondContact OG-CE 3.36Å; C169-M173 HydrophobicContact CB-CE 4.06Å; C169-M173 WeakPolarHBondContact O-CB 3.17Å; C169-M173 WeakPolarHBondContact O-CE 3.49Å; C169-M173 WeakPolarHBondContact O-CG 3.44Å; C169-M173 PolarHBondContact O-N 3.46Å; L170-M173 PolarHBondContact O-N 3.5Å; A171-M173 VanDerWaalsContact C-N 3.34Å; A171-M173 PolarHBondContact O-N 3.14Å; M173-A175 PolarHBondContact O-N 2.87Å; M173-W176 HydrophobicContact CB-CZ2 4.44Å; M173-W176 HydrophobicContact CG-CH2 4.26Å; M173-W176 HydrophobicContact CG-CZ2 3.61Å; M173-W176 PolarHBondContact O-N 2.6Å; M173-W176 HydrophobicContact SD-CH2 4.45Å; M173-W176 HydrophobicContact SD-CZ2 4.34Å; M173-C177 CarbonylContact O-C 3.59Å; M173-C177 PolarHBondContact O-N 3.35Å; M173-C181 HydrophobicContact CE-CB 3.53Å; M173-C181 WeakPolarHBondContact CE-SG 3.37Å |
| 174 | L | 77.8 | Confident | 80.5 | Confident | 54 Ų | 54 | 38.2 Ų | 38.2 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -34.5 | -175.9 | -84.9 | 163.1 | 0 | 0 | 0 | 114.5 | L170 P178 F207 | L170-L174 VanDerWaalsContact O-CG 3.32Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 2.9Å; L174-P178 HydrophobicContact CD2-CB 4.34Å; L174-F207 HydrophobicContact CD1-CD1 3.43Å; L174-F207 VanDerWaalsContact CD1-CD1 3.43Å; L174-F207 HydrophobicContact CD1-CE1 3.29Å; L174-F207 HydrophobicContact CD1-CG 4.41Å; L174-F207 HydrophobicContact CD1-CZ 4.18Å |
| 175 | A | 70.2 | Confident | 80.4 | Confident | 100 Ų | 100 | 33.8 Ų | 33.8 | 83% | 0.826 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -16.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | M173 | M173-A175 PolarHBondContact O-N 2.87Š|
| 176 | W | 76.3 | Confident | 80 | Confident | 107 Ų | 107 | 34.4 Ų | 34.4 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.3 | -24.2 | -170.3 | 60.8 | -84.8 | 0 | 0 | 0 | 115.5 | R113 P117 A172 M173 | R113-W176 HydrophobicContact CB-CH2 4.33Å; R113-W176 HydrophobicContact CB-CZ2 4.39Å; R113-W176 HydrophobicContact CG-CH2 4.19Å; R113-W176 HydrophobicContact CG-CZ2 3.99Å; P117-W176 HydrophobicContact CG-CH2 4.04Å; A172-W176 PolarHBondContact O-NE1 2.96Å; M173-W176 HydrophobicContact CB-CZ2 4.44Å; M173-W176 HydrophobicContact CG-CH2 4.26Å; M173-W176 HydrophobicContact CG-CZ2 3.61Å; M173-W176 PolarHBondContact O-N 2.6Å; M173-W176 HydrophobicContact SD-CH2 4.45Å; M173-W176 HydrophobicContact SD-CZ2 4.34Å |
| 177 | C | 72.9 | Confident | 79.6 | Confident | 45 Ų | 45 | 39.2 Ų | 39.2 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | trans | -159.7 | 65.6 | 174.9 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | M173 D179 | M173-C177 CarbonylContact O-C 3.59Å; M173-C177 PolarHBondContact O-N 3.35Å; C177-D179 PolarHBondContact O-N 2.89Å | ||
| 178 | P | 69.8 | Low | 79.4 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 20% | 0.201 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -32.1 | 176.1 | 25.8 | -32.7 | 0 | 0 | 0 | 112.3 | L174 A180 C181 V182 | L174-P178 HydrophobicContact CD2-CB 4.34Å; P178-A180 PolarHBondContact O-N 3.24Å; P178-C181 PolarHBondContact O-N 2.92Å; P178-V182 WeakPolarHBondContact O-CG2 3.28Å; P178-V182 PolarHBondContact O-N 3.12Å |
| 179 | D | 71.6 | Confident | 79.1 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.1 | -45.8 | -170.5 | -64.1 | -23 | 0 | 0 | 0 | 112.4 | C177 C181 V182 D183 R214 | C177-D179 PolarHBondContact O-N 2.89Å; D179-C181 VanDerWaalsContact C-N 3.27Å; D179-C181 PolarHBondContact O-N 3.22Å; D179-V182 PolarHBondContact O-N 3.45Å; D179-D183 WeakPolarHBondContact O-CB 3.38Å; D179-D183 PolarHBondContact O-N 3.34Å; D179-R214 VanDerWaalsContact CG-NH2 3.26Å; D179-R214 IonicContact OD1-CZ 3.73Å; D179-R214 IonicContact OD1-NE 3.37Å; D179-R214 IonicContact OD1-NH2 2.79Å; D179-R214 PolarHBondContact OD1-NH2 3.09Å; D179-R214 IonicContact OD2-NH2 2.64Å |
| 180 | A | 72.1 | Confident | 78.7 | Confident | 55 Ų | 55 | 38.6 Ų | 38.6 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.9 | -33.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P178 A184 | P178-A180 PolarHBondContact O-N 3.24Å; A180-A184 WeakPolarHBondContact O-CB 3.39Å; A180-A184 PolarHBondContact O-N 3.01Å |
| 181 | C | 74.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -78 | -44.4 | 179.3 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | Y166 L170 M173 P178 D179 A184 L185 | Y166-C181 PolarHBondContact OH-O 3.34Å; Y166-C181 VanDerWaalsContact OH-O 3.05Å; Y166-C181 PolarHBondContact OH-SG 3.03Å; L170-C181 HydrophobicContact CD1-CB 3.92Å; M173-C181 HydrophobicContact CE-CB 3.53Å; M173-C181 WeakPolarHBondContact CE-SG 3.37Å; P178-C181 PolarHBondContact O-N 2.92Å; D179-C181 VanDerWaalsContact C-N 3.27Å; D179-C181 PolarHBondContact O-N 3.22Å; C181-A184 PolarHBondContact O-N 2.82Å; C181-L185 PolarHBondContact O-N 2.74Å |
| 182 | V | 79.6 | Confident | 78.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.8 | -36.8 | 179.2 | 179 | 0 | 0 | 0 | 0 | 111.4 | L170 P178 D179 L185 L186 T210 I211 R214 | L170-V182 HydrophobicContact CD1-CG2 4.05Å; P178-V182 WeakPolarHBondContact O-CG2 3.28Å; P178-V182 PolarHBondContact O-N 3.12Å; D179-V182 PolarHBondContact O-N 3.45Å; V182-L185 WeakPolarHBondContact O-CB 3.44Å; V182-L185 PolarHBondContact O-N 2.88Å; V182-L186 HydrophobicContact CG1-CD1 3.98Å; V182-L186 HydrophobicContact CG1-CG 4.28Å; V182-L186 WeakPolarHBondContact O-CB 3.39Å; V182-L186 WeakPolarHBondContact O-CG 3.23Å; V182-L186 PolarHBondContact O-N 3.5Å; V182-T210 HydrophobicContact CG2-CG2 4.08Å; V182-I211 HydrophobicContact CG1-CD1 4.07Å; V182-I211 HydrophobicContact CG2-CD1 4.07Å; V182-R214 HydrophobicContact CG1-CB 3.95Å; V182-R214 HydrophobicContact CG1-CG 3.95Å |
| 183 | D | 79.6 | Confident | 78.3 | Confident | 56 Ų | 56 | 45 Ų | 45 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 173.7 | -70.6 | -19.5 | 0 | 0 | 0 | 110.4 | D179 L185 L186 D187 | D179-D183 WeakPolarHBondContact O-CB 3.38Å; D179-D183 PolarHBondContact O-N 3.34Å; D183-L185 VanDerWaalsContact C-N 3.32Å; D183-L185 PolarHBondContact O-N 2.75Å; D183-L186 PolarHBondContact O-N 3.23Å; D183-D187 VanDerWaalsContact O-CB 3.23Å; D183-D187 WeakPolarHBondContact O-CB 3.13Å; D183-D187 VanDerWaalsContact O-CG 3.27Å; D183-D187 PolarHBondContact O-N 3.32Å |
| 184 | A | 80.6 | Confident | 78 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T121 V124 A180 C181 T188 | T121-A184 HydrophobicContact CG2-CB 4.06Å; V124-A184 HydrophobicContact CG1-CB 4.37Å; A180-A184 WeakPolarHBondContact O-CB 3.39Å; A180-A184 PolarHBondContact O-N 3.01Å; C181-A184 PolarHBondContact O-N 2.82Å; A184-T188 VanDerWaalsContact O-CB 3.26Å; A184-T188 WeakPolarHBondContact O-CB 3.46Å; A184-T188 PolarHBondContact O-N 3.1Å; A184-T188 PolarHBondContact O-OG1 2.95Å |
| 185 | L | 85.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 174.6 | -177.3 | 65.9 | 0 | 0 | 0 | 112.5 | V124 Y166 C181 V182 D183 T188 S189 F196 V199 V200 I203 I211 | V124-L185 HydrophobicContact CG2-CB 4.32Å; V124-L185 HydrophobicContact CG2-CD1 3.47Å; V124-L185 VanDerWaalsContact CG2-CD1 3.47Å; V124-L185 HydrophobicContact CG2-CG 4.5Å; Y166-L185 HydrophobicContact CE1-CD1 4.28Å; Y166-L185 HydrophobicContact CE1-CD2 4.47Å; Y166-L185 WeakPolarHBondContact OH-CB 3.26Å; C181-L185 PolarHBondContact O-N 2.74Å; V182-L185 WeakPolarHBondContact O-CB 3.44Å; V182-L185 PolarHBondContact O-N 2.88Å; D183-L185 VanDerWaalsContact C-N 3.32Å; D183-L185 PolarHBondContact O-N 2.75Å; L185-T188 PolarHBondContact O-N 2.89Å; L185-S189 WeakPolarHBondContact O-CB 3.43Å; L185-S189 PolarHBondContact O-N 2.76Å; L185-F196 HydrophobicContact CD1-CE1 3.76Å; L185-F196 HydrophobicContact CD1-CZ 3.81Å; L185-V199 HydrophobicContact CD1-CG1 4.07Å; L185-V200 HydrophobicContact CD1-CG2 4.42Å; L185-V200 HydrophobicContact CG-CG2 4.38Å; L185-I203 HydrophobicContact CD2-CB 4.43Å; L185-I203 HydrophobicContact CD2-CG2 4.07Å; L185-I211 HydrophobicContact CD2-CD1 3.97Å |
| 186 | L | 80.6 | Confident | 79.2 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.5 | -35.7 | -177.6 | -66.9 | 178.8 | 0 | 0 | 0 | 112 | V182 D183 T188 S189 V190 R214 V215 C218 | V182-L186 HydrophobicContact CG1-CD1 3.98Å; V182-L186 HydrophobicContact CG1-CG 4.28Å; V182-L186 WeakPolarHBondContact O-CB 3.39Å; V182-L186 WeakPolarHBondContact O-CG 3.23Å; V182-L186 PolarHBondContact O-N 3.5Å; D183-L186 PolarHBondContact O-N 3.23Å; L186-T188 VanDerWaalsContact C-N 3.29Å; L186-T188 PolarHBondContact O-N 3.34Å; L186-S189 WeakPolarHBondContact CA-OG 3.45Å; L186-S189 PolarHBondContact O-N 2.91Å; L186-S189 PolarHBondContact O-OG 2.97Å; L186-V190 VanDerWaalsContact O-CG2 3.26Å; L186-V190 WeakPolarHBondContact O-CG2 3.27Å; L186-V190 PolarHBondContact O-N 2.88Å; L186-R214 HydrophobicContact CD1-CB 3.69Å; L186-V215 HydrophobicContact CD2-CG2 4.04Å; L186-C218 HydrophobicContact CD1-CB 4.35Å |
| 187 | D | 82.3 | Confident | 79.7 | Confident | 101 Ų | 101 | 36.4 Ų | 36.4 | 54% | 0.54 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.2 | -36.4 | 172.5 | -77 | -15.9 | 0 | 0 | 0 | 111.4 | D183 K191 | D183-D187 VanDerWaalsContact O-CB 3.23Å; D183-D187 WeakPolarHBondContact O-CB 3.13Å; D183-D187 VanDerWaalsContact O-CG 3.27Å; D183-D187 PolarHBondContact O-N 3.32Å; D187-K191 WeakPolarHBondContact O-CG 3.25Å; D187-K191 PolarHBondContact O-N 3.39Å |
| 188 | T | 82.3 | Confident | 80.5 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.3 | -38.5 | 173.9 | -55 | 0 | 0 | 0 | 0 | 111 | A184 L185 L186 V190 K191 H192 F196 | A184-T188 VanDerWaalsContact O-CB 3.26Å; A184-T188 WeakPolarHBondContact O-CB 3.46Å; A184-T188 PolarHBondContact O-N 3.1Å; A184-T188 PolarHBondContact O-OG1 2.95Å; L185-T188 PolarHBondContact O-N 2.89Å; L186-T188 VanDerWaalsContact C-N 3.29Å; L186-T188 PolarHBondContact O-N 3.34Å; T188-V190 PolarHBondContact O-N 2.96Å; T188-K191 PolarHBondContact O-N 2.98Å; T188-K191 VanDerWaalsContact O-N 3.17Å; T188-H192 PolarHBondContact O-CD2 3.37Å; T188-H192 PolarHBondContact O-N 3.43Å; T188-F196 HydrophobicContact CG2-CE1 4.27Å; T188-F196 HydrophobicContact CG2-CE2 4.22Å; T188-F196 HydrophobicContact CG2-CZ 4Å |
| 189 | S | 82.9 | Confident | 81.4 | Confident | 15 Ų | 15 | 32.8 Ų | 32.8 | 11% | 0.105 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 175.4 | 80.2 | 0 | 0 | 0 | 0 | 111.9 | L185 L186 K191 H192 S193 | L185-S189 WeakPolarHBondContact O-CB 3.43Å; L185-S189 PolarHBondContact O-N 2.76Å; L186-S189 WeakPolarHBondContact CA-OG 3.45Å; L186-S189 PolarHBondContact O-N 2.91Å; L186-S189 PolarHBondContact O-OG 2.97Å; S189-K191 PolarHBondContact O-N 3.12Å; S189-H192 PolarHBondContact O-N 3.08Å; S189-S193 WeakPolarHBondContact O-CA 3.34Å; S189-S193 WeakPolarHBondContact O-CB 3.32Å; S189-S193 PolarHBondContact O-N 3.25Å |
| 190 | V | 78.1 | Confident | 82.2 | Confident | 59 Ų | 59 | 30.3 Ų | 30.3 | 36% | 0.358 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.7 | -31.6 | 174.7 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | L186 T188 | L186-V190 VanDerWaalsContact O-CG2 3.26Å; L186-V190 WeakPolarHBondContact O-CG2 3.27Å; L186-V190 PolarHBondContact O-N 2.88Å; T188-V190 PolarHBondContact O-N 2.96Å |
| 191 | K | 81.4 | Confident | 82.9 | Confident | 151 Ų | 151 | 27.7 Ų | 27.7 | 66% | 0.657 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -80.9 | -35.2 | 178.5 | -69 | 170.7 | -173.3 | 172 | 0 | 113.6 | D187 T188 S189 | D187-K191 WeakPolarHBondContact O-CG 3.25Å; D187-K191 PolarHBondContact O-N 3.39Å; T188-K191 PolarHBondContact O-N 2.98Å; T188-K191 VanDerWaalsContact O-N 3.17Å; S189-K191 PolarHBondContact O-N 3.12Å |
| 192 | H | 83.1 | Confident | 83.5 | Confident | 36 Ų | 36 | 30.2 Ų | 30.2 | 17% | 0.167 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -119 | 0.6 | -166.1 | -64.7 | -66.4 | 0 | 0 | 0 | 114.8 | G128 S132 T188 S189 H195 F196 | G128-H192 PolarHBondContact O-ND1 3.33Å; S132-H192 VanDerWaalsContact OG-CB 3.28Å; S132-H192 WeakPolarHBondContact OG-CB 3.32Å; S132-H192 PolarHBondContact OG-ND1 2.92Å; T188-H192 PolarHBondContact O-CD2 3.37Å; T188-H192 PolarHBondContact O-N 3.43Å; S189-H192 PolarHBondContact O-N 3.08Å; H192-H195 PolarHBondContact O-N 3.46Å; H192-H195 VanDerWaalsContact O-N 3.11Å; H192-F196 HydrophobicContact CB-CB 3.71Å; H192-F196 HydrophobicContact CB-CG 4.3Å; H192-F196 PolarHBondContact O-N 2.95Å |
| 193 | S | 80.4 | Confident | 83.8 | Confident | 37 Ų | 37 | 30.2 Ų | 30.2 | 26% | 0.259 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 142.2 | 171.2 | -176 | 0 | 0 | 0 | 0 | 110.9 | S189 D197 S246 | S189-S193 WeakPolarHBondContact O-CA 3.34Å; S189-S193 WeakPolarHBondContact O-CB 3.32Å; S189-S193 PolarHBondContact O-N 3.25Å; S193-D197 VanDerWaalsContact CB-OD1 3.29Å; S193-D197 WeakPolarHBondContact CB-OD1 3.29Å; S193-D197 PolarHBondContact OG-OD1 3.07Å; S193-S246 WeakPolarHBondContact OG-CB 3.19Å; S193-S246 PolarHBondContact OG-OG 2.97Å |
| 194 | P | 77.1 | Confident | 84 | Confident | 14 Ų | 14 | 27.5 Ų | 27.5 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.8 | -4.6 | 7.8 | 36.5 | -38.8 | 0 | 0 | 0 | 115.2 | F196 D197 V241 | P194-F196 VanDerWaalsContact C-N 3.27Å; P194-F196 PolarHBondContact O-N 3.34Å; P194-D197 WeakPolarHBondContact O-CB 3.48Å; P194-D197 PolarHBondContact O-N 3.07Å; P194-V241 HydrophobicContact CG-CG2 4.15Å |
| 195 | H | 83.6 | Confident | 84.2 | Confident | 61 Ų | 61 | 28.6 Ų | 28.6 | 28% | 0.282 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -14.9 | -172.3 | -58.2 | -61.1 | 0 | 0 | 0 | 114.1 | S131 A135 H192 W198 | S131-H195 WeakPolarHBondContact CB-O 3.48Å; A135-H195 HydrophobicContact CB-CB 4.04Å; A135-H195 VanDerWaalsContact CB-CD2 3.48Å; A135-H195 WeakPolarHBondContact CB-CD2 3.23Å; A135-H195 WeakPolarHBondContact CB-ND1 3.38Å; H192-H195 PolarHBondContact O-N 3.46Å; H192-H195 VanDerWaalsContact O-N 3.11Å; H195-W198 PolarHBondContact O-NE1 3.33Å |
| 196 | F | 88.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -5.9 | 176.7 | -174 | -103.5 | 0 | 0 | 0 | 113.8 | V124 L127 G128 L185 T188 H192 P194 W198 V199 V200 | V124-F196 HydrophobicContact CG2-CE1 4.47Å; V124-F196 HydrophobicContact CG2-CE2 4.46Å; V124-F196 HydrophobicContact CG2-CZ 3.63Å; L127-F196 HydrophobicContact CB-CE2 3.89Å; G128-F196 VanDerWaalsContact CA-CD2 3.44Å; L185-F196 HydrophobicContact CD1-CE1 3.76Å; L185-F196 HydrophobicContact CD1-CZ 3.81Å; T188-F196 HydrophobicContact CG2-CE1 4.27Å; T188-F196 HydrophobicContact CG2-CE2 4.22Å; T188-F196 HydrophobicContact CG2-CZ 4Å; H192-F196 HydrophobicContact CB-CB 3.71Å; H192-F196 HydrophobicContact CB-CG 4.3Å; H192-F196 PolarHBondContact O-N 2.95Å; P194-F196 VanDerWaalsContact C-N 3.27Å; P194-F196 PolarHBondContact O-N 3.34Å; F196-W198 PolarHBondContact O-N 3.33Å; F196-W198 VanDerWaalsContact O-N 3.12Å; F196-V199 HydrophobicContact CD1-CB 4.36Å; F196-V199 HydrophobicContact CD2-CB 4.01Å; F196-V199 HydrophobicContact CD2-CG2 3.63Å; F196-V199 HydrophobicContact CE1-CB 4.06Å; F196-V199 HydrophobicContact CE1-CG1 4.24Å; F196-V199 HydrophobicContact CE2-CB 3.7Å; F196-V199 HydrophobicContact CE2-CG1 3.83Å; F196-V199 HydrophobicContact CE2-CG2 3.51Å; F196-V199 HydrophobicContact CG-CB 4.37Å; F196-V199 HydrophobicContact CG-CG2 4.32Å; F196-V199 HydrophobicContact CZ-CB 3.71Å; F196-V199 HydrophobicContact CZ-CG1 3.6Å; F196-V199 HydrophobicContact CZ-CG2 4.08Å; F196-V199 WeakPolarHBondContact O-CB 3.42Å; F196-V199 PolarHBondContact O-N 3.35Å; F196-V200 HydrophobicContact CD1-CG2 4.05Å; F196-V200 HydrophobicContact CE1-CG2 3.99Å |
| 197 | D | 87.6 | Confident | 84.3 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -29.8 | -172.3 | -65.4 | 0.6 | 0 | 0 | 0 | 113 | L146 S193 P194 V199 V200 A201 S246 I250 | L146-D197 HydrophobicContact CD1-CB 3.66Å; S193-D197 VanDerWaalsContact CB-OD1 3.29Å; S193-D197 WeakPolarHBondContact CB-OD1 3.29Å; S193-D197 PolarHBondContact OG-OD1 3.07Å; P194-D197 WeakPolarHBondContact O-CB 3.48Å; P194-D197 PolarHBondContact O-N 3.07Å; D197-V199 PolarHBondContact O-N 3.33Å; D197-V200 PolarHBondContact O-N 3.33Å; D197-A201 WeakPolarHBondContact O-CB 3.28Å; D197-A201 PolarHBondContact O-N 2.97Å; D197-S246 PolarHBondContact OD1-OG 2.85Å; D197-S246 WeakPolarHBondContact OD2-CA 3.46Å; D197-S246 WeakPolarHBondContact OD2-CB 3.45Å; D197-S246 PolarHBondContact OD2-OG 3.49Å; D197-I250 HydrophobicContact CB-CD1 4.18Å; D197-I250 HydrophobicContact CB-CG1 4.05Å |
| 198 | W | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -31.7 | 175.2 | 72.5 | -90 | 0 | 0 | 0 | 112.3 | L127 S131 L149 L150 W153 M154 M163 H195 F196 H202 | L127-W198 HydrophobicContact CD2-CH2 4Å; L127-W198 HydrophobicContact CD2-CZ2 4.23Å; S131-W198 PolarHBondContact OG-NE1 3.47Å; S131-W198 VanDerWaalsContact OG-NE1 3.1Å; L149-W198 HydrophobicContact CB-CB 4.17Å; L150-W198 HydrophobicContact CB-CB 4.42Å; W153-W198 HydrophobicContact CB-CD2 4.01Å; W153-W198 HydrophobicContact CB-CE3 3.97Å; W153-W198 HydrophobicContact CB-CH2 3.5Å; W153-W198 VanDerWaalsContact CB-CH2 3.5Å; W153-W198 HydrophobicContact CB-CZ2 3.53Å; W153-W198 HydrophobicContact CB-CZ3 3.71Å; W153-W198 AromaticContact CD1-CD1 3.64Å; W153-W198 AromaticContact CD1-CD2 3.76Å; W153-W198 AromaticContact CD1-CE2 3.38Å; W153-W198 AromaticContact CD1-CG 3.93Å; W153-W198 AromaticContact CD1-CZ2 3.89Å; W153-W198 AromaticContact CD1-NE1 3.3Å; W153-W198 VanDerWaalsContact CD1-NE1 3.3Å; W153-W198 HydrophobicContact CD2-CZ2 4.14Å; W153-W198 HydrophobicContact CG-CD2 4.1Å; W153-W198 AromaticContact CG-CE2 3.57Å; W153-W198 HydrophobicContact CG-CH2 4.1Å; W153-W198 AromaticContact CG-CZ2 3.58Å; W153-W198 HydrophobicContact CG-CZ2 3.58Å; W153-W198 AromaticContact CG-NE1 3.9Å; W153-W198 AromaticContact NE1-CD1 3.98Å; W153-W198 AromaticContact NE1-NE1 3.57Å; M154-W198 HydrophobicContact SD-CZ3 4.25Å; M163-W198 HydrophobicContact CE-CE3 4Å; M163-W198 HydrophobicContact CE-CH2 4.04Å; M163-W198 HydrophobicContact CE-CZ3 3.4Å; M163-W198 VanDerWaalsContact CE-CZ3 3.4Å; H195-W198 PolarHBondContact O-NE1 3.33Å; F196-W198 PolarHBondContact O-N 3.33Å; F196-W198 VanDerWaalsContact O-N 3.12Å; W198-H202 WeakPolarHBondContact O-CB 3.34Å; W198-H202 PolarHBondContact O-N 3.02Å |
| 199 | V | 88.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.6 | -46.8 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 110 | L127 M163 L185 F196 D197 A201 H202 I203 | L127-V199 HydrophobicContact CB-CG2 4.45Å; L127-V199 HydrophobicContact CD1-CG1 4.29Å; M163-V199 HydrophobicContact CE-CB 4.11Å; M163-V199 HydrophobicContact CE-CG1 3.74Å; M163-V199 HydrophobicContact CE-CG2 4.23Å; M163-V199 HydrophobicContact SD-CG1 4.28Å; L185-V199 HydrophobicContact CD1-CG1 4.07Å; F196-V199 HydrophobicContact CD1-CB 4.36Å; F196-V199 HydrophobicContact CD2-CB 4.01Å; F196-V199 HydrophobicContact CD2-CG2 3.63Å; F196-V199 HydrophobicContact CE1-CB 4.06Å; F196-V199 HydrophobicContact CE1-CG1 4.24Å; F196-V199 HydrophobicContact CE2-CB 3.7Å; F196-V199 HydrophobicContact CE2-CG1 3.83Å; F196-V199 HydrophobicContact CE2-CG2 3.51Å; F196-V199 HydrophobicContact CG-CB 4.37Å; F196-V199 HydrophobicContact CG-CG2 4.32Å; F196-V199 HydrophobicContact CZ-CB 3.71Å; F196-V199 HydrophobicContact CZ-CG1 3.6Å; F196-V199 HydrophobicContact CZ-CG2 4.08Å; F196-V199 WeakPolarHBondContact O-CB 3.42Å; F196-V199 PolarHBondContact O-N 3.35Å; D197-V199 PolarHBondContact O-N 3.33Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 2.88Å; V199-H202 PolarHBondContact O-N 3.14Å; V199-I203 WeakPolarHBondContact O-CB 3.14Å; V199-I203 WeakPolarHBondContact O-CG1 3.38Å; V199-I203 PolarHBondContact O-N 3.18Å |
| 200 | V | 88.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | L185 F196 D197 G204 I211 V215 I250 | L185-V200 HydrophobicContact CD1-CG2 4.42Å; L185-V200 HydrophobicContact CG-CG2 4.38Å; F196-V200 HydrophobicContact CD1-CG2 4.05Å; F196-V200 HydrophobicContact CE1-CG2 3.99Å; D197-V200 PolarHBondContact O-N 3.33Å; V200-G204 WeakPolarHBondContact O-CA 3.34Å; V200-G204 PolarHBondContact O-N 2.87Å; V200-I211 HydrophobicContact CG1-CG2 4.16Å; V200-V215 HydrophobicContact CG1-CG2 3.87Å; V200-I250 HydrophobicContact CB-CD1 4.02Å; V200-I250 HydrophobicContact CG1-CD1 3.99Å; V200-I250 HydrophobicContact CG1-CG2 4.19Å |
| 201 | A | 86.9 | Confident | 84 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L146 D197 V199 G204 S205 I250 | L146-A201 HydrophobicContact CD1-CB 4.36Å; L146-A201 HydrophobicContact CD2-CB 3.47Å; L146-A201 VanDerWaalsContact CD2-CB 3.47Å; L146-A201 HydrophobicContact CG-CB 4.39Å; D197-A201 WeakPolarHBondContact O-CB 3.28Å; D197-A201 PolarHBondContact O-N 2.97Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 2.88Å; A201-G204 PolarHBondContact O-N 2.75Å; A201-S205 PolarHBondContact O-N 2.73Å; A201-S205 PolarHBondContact O-OG 3.32Å; A201-I250 HydrophobicContact CB-CG2 4.4Å |
| 202 | H | 86.6 | Confident | 84.1 | Confident | 55 Ų | 55 | 22.2 Ų | 22.2 | 26% | 0.255 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.8 | -46 | 177.7 | -171.4 | 81.2 | 0 | 0 | 0 | 112 | L150 M163 W198 V199 G204 S205 A206 | L150-H202 HydrophobicContact CD1-CB 3.84Å; M163-H202 HydrophobicContact CE-CB 3.67Å; M163-H202 VanDerWaalsContact CG-CD2 3.47Å; M163-H202 WeakPolarHBondContact CG-CD2 3.29Å; W198-H202 WeakPolarHBondContact O-CB 3.34Å; W198-H202 PolarHBondContact O-N 3.02Å; V199-H202 PolarHBondContact O-N 3.14Å; H202-G204 VanDerWaalsContact C-N 3.32Å; H202-S205 WeakPolarHBondContact O-CB 3.38Å; H202-S205 PolarHBondContact O-N 3.11Å; H202-A206 PolarHBondContact O-N 2.9Å |
| 203 | I | 87 | Confident | 84 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -35.6 | 175.7 | -65 | -60.8 | 0 | 0 | 0 | 111.3 | M163 Y166 L170 L185 V199 S205 A206 F207 I211 | M163-I203 HydrophobicContact SD-CD1 3.51Å; M163-I203 VanDerWaalsContact SD-CD1 3.51Å; M163-I203 HydrophobicContact SD-CG1 3.77Å; Y166-I203 HydrophobicContact CD1-CD1 3.63Å; Y166-I203 HydrophobicContact CD1-CG1 3.91Å; Y166-I203 HydrophobicContact CE1-CD1 4.02Å; Y166-I203 HydrophobicContact CE1-CG1 3.92Å; Y166-I203 HydrophobicContact CE1-CG2 4.23Å; L170-I203 HydrophobicContact CD2-CG2 3.54Å; L185-I203 HydrophobicContact CD2-CB 4.43Å; L185-I203 HydrophobicContact CD2-CG2 4.07Å; V199-I203 WeakPolarHBondContact O-CB 3.14Å; V199-I203 WeakPolarHBondContact O-CG1 3.38Å; V199-I203 PolarHBondContact O-N 3.18Å; I203-S205 VanDerWaalsContact C-N 3.28Å; I203-S205 PolarHBondContact O-N 3.39Å; I203-A206 PolarHBondContact O-N 3.16Å; I203-A206 VanDerWaalsContact O-N 3.14Å; I203-F207 HydrophobicContact CG2-CD2 4.2Å; I203-F207 PolarHBondContact O-N 3.3Å; I203-I211 HydrophobicContact CG2-CD1 4.14Å; I203-I211 HydrophobicContact CG2-CG1 4.21Å |
| 204 | G | 84.4 | Confident | 84 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -33 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | V200 A201 H202 F207 P208 L254 | V200-G204 WeakPolarHBondContact O-CA 3.34Å; V200-G204 PolarHBondContact O-N 2.87Å; A201-G204 PolarHBondContact O-N 2.75Å; H202-G204 VanDerWaalsContact C-N 3.32Å; G204-F207 CarbonylContact O-C 3.3Å; G204-P208 WeakPolarHBondContact O-CA 3.43Å; G204-P208 WeakPolarHBondContact O-CB 3.45Å; G204-P208 VanDerWaalsContact O-N 3.1Å; G204-L254 VanDerWaalsContact C-CD2 3.4Å |
| 205 | S | 84.8 | Confident | 84.4 | Confident | 41 Ų | 41 | 22.1 Ų | 22.1 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -70 | -32.7 | 173.7 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | A201 H202 I203 L254 H258 | A201-S205 PolarHBondContact O-N 2.73Å; A201-S205 PolarHBondContact O-OG 3.32Å; H202-S205 WeakPolarHBondContact O-CB 3.38Å; H202-S205 PolarHBondContact O-N 3.11Å; I203-S205 VanDerWaalsContact C-N 3.28Å; I203-S205 PolarHBondContact O-N 3.39Å; S205-L254 WeakPolarHBondContact OG-CD2 3.45Å; S205-H258 PolarHBondContact O-NE2 3.18Å |
| 206 | A | 83.5 | Confident | 84.3 | Confident | 52 Ų | 52 | 19.2 Ų | 19.2 | 43% | 0.43 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -79 | -32.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | H202 I203 | H202-A206 PolarHBondContact O-N 2.9Å; I203-A206 PolarHBondContact O-N 3.16Å; I203-A206 VanDerWaalsContact O-N 3.14Å |
| 207 | F | 83.4 | Confident | 83.9 | Confident | 36 Ų | 36 | 20 Ų | 20 | 16% | 0.158 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -134.6 | 63.9 | -175.7 | -54.4 | -75.5 | 0 | 0 | 0 | 112.5 | L170 A171 L174 I203 G204 G209 I211 | L170-F207 HydrophobicContact CB-CE2 4.34Å; L170-F207 HydrophobicContact CD2-CD2 3.41Å; L170-F207 VanDerWaalsContact CD2-CD2 3.41Å; L170-F207 HydrophobicContact CD2-CE2 3.72Å; L170-F207 HydrophobicContact CD2-CG 4.06Å; L170-F207 HydrophobicContact CG-CD2 4.13Å; L170-F207 HydrophobicContact CG-CE2 4.09Å; A171-F207 HydrophobicContact CB-CZ 4.06Å; L174-F207 HydrophobicContact CD1-CD1 3.43Å; L174-F207 VanDerWaalsContact CD1-CD1 3.43Å; L174-F207 HydrophobicContact CD1-CE1 3.29Å; L174-F207 HydrophobicContact CD1-CG 4.41Å; L174-F207 HydrophobicContact CD1-CZ 4.18Å; I203-F207 HydrophobicContact CG2-CD2 4.2Å; I203-F207 PolarHBondContact O-N 3.3Å; G204-F207 CarbonylContact O-C 3.3Å; F207-G209 PolarHBondContact O-N 3.44Å; F207-I211 HydrophobicContact CB-CG1 4.32Å; F207-I211 WeakPolarHBondContact O-CG1 3.31Å; F207-I211 PolarHBondContact O-N 2.76Å |
| 208 | P | 81.7 | Confident | 83.4 | Confident | 26 Ų | 26 | 21.2 Ų | 21.2 | 17% | 0.169 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | -168 | 22.3 | -33.5 | 0 | 0 | 0 | 113.5 | G204 T210 I211 I212 H258 | G204-P208 WeakPolarHBondContact O-CA 3.43Å; G204-P208 WeakPolarHBondContact O-CB 3.45Å; G204-P208 VanDerWaalsContact O-N 3.1Å; P208-T210 PolarHBondContact O-N 3.21Å; P208-I211 PolarHBondContact O-N 2.99Å; P208-I212 HydrophobicContact CB-CD1 3.84Å; P208-I212 WeakPolarHBondContact O-CB 3.27Å; P208-I212 VanDerWaalsContact O-CD1 3.26Å; P208-I212 WeakPolarHBondContact O-CD1 3.42Å; P208-I212 WeakPolarHBondContact O-CG1 3.19Å; P208-I212 PolarHBondContact O-N 3.42Å; P208-H258 HydrophobicContact CB-CB 4.16Å |
| 209 | G | 75.4 | Confident | 82.9 | Confident | 52 Ų | 52 | 21.5 Ų | 21.5 | 54% | 0.536 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.3 | -46 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F207 | F207-G209 PolarHBondContact O-N 3.44Å |
| 210 | T | 78.8 | Confident | 82.4 | Confident | 48 Ų | 48 | 21.5 Ų | 21.5 | 29% | 0.294 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -73.7 | -42 | -177.8 | -46.4 | 0 | 0 | 0 | 0 | 111.9 | V182 P208 R214 | V182-T210 HydrophobicContact CG2-CG2 4.08Å; P208-T210 PolarHBondContact O-N 3.21Å; T210-R214 WeakPolarHBondContact O-CB 3.47Å; T210-R214 WeakPolarHBondContact O-CG 3.41Å; T210-R214 PolarHBondContact O-N 2.63Å |
| 211 | I | 83.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76.9 | -42 | -174.8 | -60.2 | -61.7 | 0 | 0 | 0 | 111.6 | V182 L185 V200 I203 F207 P208 S213 R214 V215 | V182-I211 HydrophobicContact CG1-CD1 4.07Å; V182-I211 HydrophobicContact CG2-CD1 4.07Å; L185-I211 HydrophobicContact CD2-CD1 3.97Å; V200-I211 HydrophobicContact CG1-CG2 4.16Å; I203-I211 HydrophobicContact CG2-CD1 4.14Å; I203-I211 HydrophobicContact CG2-CG1 4.21Å; F207-I211 HydrophobicContact CB-CG1 4.32Å; F207-I211 WeakPolarHBondContact O-CG1 3.31Å; F207-I211 PolarHBondContact O-N 2.76Å; P208-I211 PolarHBondContact O-N 2.99Å; I211-S213 PolarHBondContact O-N 3.37Å; I211-R214 PolarHBondContact O-N 3.2Å; I211-V215 HydrophobicContact CG2-CG2 3.81Å; I211-V215 VanDerWaalsContact O-CB 3.32Å; I211-V215 WeakPolarHBondContact O-CB 3.25Å; I211-V215 WeakPolarHBondContact O-CG2 3.45Å; I211-V215 PolarHBondContact O-N 2.92Å |
| 212 | I | 83.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 179.7 | -67.9 | 164.1 | 0 | 0 | 0 | 110.7 | P208 R214 V215 L216 L251 L254 I262 E265 | P208-I212 HydrophobicContact CB-CD1 3.84Å; P208-I212 WeakPolarHBondContact O-CB 3.27Å; P208-I212 VanDerWaalsContact O-CD1 3.26Å; P208-I212 WeakPolarHBondContact O-CD1 3.42Å; P208-I212 WeakPolarHBondContact O-CG1 3.19Å; P208-I212 PolarHBondContact O-N 3.42Å; I212-R214 PolarHBondContact O-N 3.46Å; I212-V215 PolarHBondContact O-N 3.33Å; I212-L216 HydrophobicContact CG2-CD1 3.94Å; I212-L216 WeakPolarHBondContact O-CB 3.1Å; I212-L216 WeakPolarHBondContact O-CG 2.98Å; I212-L216 PolarHBondContact O-N 2.86Å; I212-L251 HydrophobicContact CG2-CD2 4.26Å; I212-L254 HydrophobicContact CG1-CD1 4.06Å; I212-I262 HydrophobicContact CD1-CG1 3.62Å; I212-I262 HydrophobicContact CG1-CG1 4.21Å; I212-I262 HydrophobicContact CG2-CG1 4.25Å; I212-E265 HydrophobicContact CG2-CB 4.07Å; I212-E265 HydrophobicContact CG2-CG 4.16Å |
| 213 | S | 81.3 | Confident | 80.8 | Confident | 26 Ų | 26 | 30.3 Ų | 30.3 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 179.2 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | I211 L216 A217 E265 R268 | I211-S213 PolarHBondContact O-N 3.37Å; S213-L216 PolarHBondContact O-N 2.95Å; S213-A217 WeakPolarHBondContact O-CB 3.43Å; S213-A217 PolarHBondContact O-N 3.23Å; S213-E265 WeakPolarHBondContact CA-OE1 3.26Å; S213-E265 WeakPolarHBondContact CB-OE1 3.43Å; S213-E265 PolarHBondContact OG-OE1 2.89Å; S213-R268 PolarHBondContact OG-NH2 2.94Å |
| 214 | R | 80.2 | Confident | 80.1 | Confident | 51 Ų | 51 | 31.8 Ų | 31.8 | 19% | 0.192 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.8 | -35.5 | -177.1 | -66.9 | -76.3 | -167.5 | -177.1 | 0.9 | 112.8 | D179 V182 L186 T210 I211 I212 A217 C218 T287 | D179-R214 VanDerWaalsContact CG-NH2 3.26Å; D179-R214 IonicContact OD1-CZ 3.73Å; D179-R214 IonicContact OD1-NE 3.37Å; D179-R214 IonicContact OD1-NH2 2.79Å; D179-R214 PolarHBondContact OD1-NH2 3.09Å; D179-R214 IonicContact OD2-NH2 2.64Å; V182-R214 HydrophobicContact CG1-CB 3.95Å; V182-R214 HydrophobicContact CG1-CG 3.95Å; L186-R214 HydrophobicContact CD1-CB 3.69Å; T210-R214 WeakPolarHBondContact O-CB 3.47Å; T210-R214 WeakPolarHBondContact O-CG 3.41Å; T210-R214 PolarHBondContact O-N 2.63Å; I211-R214 PolarHBondContact O-N 3.2Å; I212-R214 PolarHBondContact O-N 3.46Å; R214-A217 PolarHBondContact O-N 2.95Å; R214-C218 WeakPolarHBondContact O-CB 3.35Å; R214-C218 PolarHBondContact O-N 3.46Å; R214-T287 PolarHBondContact NH1-OG1 3.49Å; R214-T287 PolarHBondContact NH2-OG1 2.95Å |
| 215 | V | 84.1 | Confident | 79.3 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 173.2 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | L186 V200 I211 I212 G219 V247 | L186-V215 HydrophobicContact CD2-CG2 4.04Å; V200-V215 HydrophobicContact CG1-CG2 3.87Å; I211-V215 HydrophobicContact CG2-CG2 3.81Å; I211-V215 VanDerWaalsContact O-CB 3.32Å; I211-V215 WeakPolarHBondContact O-CB 3.25Å; I211-V215 WeakPolarHBondContact O-CG2 3.45Å; I211-V215 PolarHBondContact O-N 2.92Å; I212-V215 PolarHBondContact O-N 3.33Å; V215-G219 PolarHBondContact O-N 2.96Å; V215-V247 HydrophobicContact CG1-CG1 4.16Å |
| 216 | L | 82.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 175.1 | -73 | 168.1 | 0 | 0 | 0 | 111.9 | I212 S213 C218 G219 L220 L251 E265 L266 M269 F302 L306 | I212-L216 HydrophobicContact CG2-CD1 3.94Å; I212-L216 WeakPolarHBondContact O-CB 3.1Å; I212-L216 WeakPolarHBondContact O-CG 2.98Å; I212-L216 PolarHBondContact O-N 2.86Å; S213-L216 PolarHBondContact O-N 2.95Å; L216-C218 PolarHBondContact O-N 3.41Å; L216-G219 PolarHBondContact O-N 2.8Å; L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 PolarHBondContact O-N 2.92Å; L216-L251 HydrophobicContact CD2-CD1 3.67Å; L216-L251 HydrophobicContact CG-CD1 4.33Å; L216-E265 HydrophobicContact CD1-CB 4.38Å; L216-E265 HydrophobicContact CD1-CG 3.85Å; L216-L266 HydrophobicContact CD1-CD2 3.81Å; L216-L266 HydrophobicContact CD1-CG 4.38Å; L216-L266 HydrophobicContact CD2-CD2 3.8Å; L216-L266 HydrophobicContact CG-CD2 4.5Å; L216-M269 HydrophobicContact CB-CE 3.56Å; L216-M269 HydrophobicContact CB-SD 4.31Å; L216-M269 HydrophobicContact CD1-CE 4.46Å; L216-F302 HydrophobicContact CD2-CE1 4.21Å; L216-L306 HydrophobicContact CD2-CD1 3.71Å |
| 217 | A | 79.3 | Confident | 76.8 | Confident | 18 Ų | 18 | 38.7 Ų | 38.7 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S213 R214 L220 K221 W289 | S213-A217 WeakPolarHBondContact O-CB 3.43Å; S213-A217 PolarHBondContact O-N 3.23Å; R214-A217 PolarHBondContact O-N 2.95Å; A217-L220 PolarHBondContact O-N 3.45Å; A217-K221 WeakPolarHBondContact O-CB 3.15Å; A217-K221 PolarHBondContact O-N 2.71Å; A217-W289 HydrophobicContact CB-CG 4.43Å |
| 218 | C | 77.9 | Confident | 74.9 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 175 | -172 | 0 | 0 | 0 | 0 | 111.2 | L186 R214 L216 L220 K221 D222 | L186-C218 HydrophobicContact CD1-CB 4.35Å; R214-C218 WeakPolarHBondContact O-CB 3.35Å; R214-C218 PolarHBondContact O-N 3.46Å; L216-C218 PolarHBondContact O-N 3.41Å; C218-L220 VanDerWaalsContact C-N 3.32Å; C218-L220 PolarHBondContact O-N 2.81Å; C218-K221 WeakPolarHBondContact O-CB 3.48Å; C218-K221 PolarHBondContact O-N 2.9Å; C218-D222 PolarHBondContact O-N 2.99Å |
| 219 | G | 78.2 | Confident | 72.9 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V215 L216 D222 F223 F302 | V215-G219 PolarHBondContact O-N 2.96Å; L216-G219 PolarHBondContact O-N 2.8Å; G219-D222 PolarHBondContact O-N 3.3Å; G219-F223 VanDerWaalsContact O-CB 3.25Å; G219-F223 WeakPolarHBondContact O-CB 3.44Å; G219-F223 PolarHBondContact O-N 2.6Å; G219-F302 VanDerWaalsContact C-CZ 3.48Å; G219-F302 WeakPolarHBondContact O-CE2 3.42Å |
| 220 | L | 79 | Confident | 71.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 175.7 | 177.9 | 59.1 | 0 | 0 | 0 | 111.9 | L216 A217 C218 F223 C224 M269 W289 L295 A298 A299 F302 | L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 PolarHBondContact O-N 2.92Å; A217-L220 PolarHBondContact O-N 3.45Å; C218-L220 VanDerWaalsContact C-N 3.32Å; C218-L220 PolarHBondContact O-N 2.81Å; L220-F223 PolarHBondContact O-N 3.41Å; L220-C224 PolarHBondContact O-N 3.43Å; L220-C224 PolarHBondContact O-SG 3.42Å; L220-M269 HydrophobicContact CD2-SD 4.49Å; L220-W289 HydrophobicContact CD2-CD2 4.13Å; L220-W289 HydrophobicContact CD2-CE3 3.84Å; L220-W289 HydrophobicContact CD2-CG 4.41Å; L220-L295 HydrophobicContact CD2-CB 4.41Å; L220-L295 HydrophobicContact CG-CD2 4.01Å; L220-A298 HydrophobicContact CD1-CB 4.12Å; L220-A299 HydrophobicContact CD1-CB 4.38Å; L220-A299 HydrophobicContact CD2-CB 4.08Å; L220-F302 HydrophobicContact CB-CD1 3.98Å; L220-F302 HydrophobicContact CB-CE1 3.96Å; L220-F302 HydrophobicContact CB-CG 4.4Å; L220-F302 HydrophobicContact CB-CZ 4.36Å; L220-F302 HydrophobicContact CD1-CB 3.75Å; L220-F302 HydrophobicContact CD1-CD1 3.96Å; L220-F302 HydrophobicContact CD1-CG 3.9Å |
| 221 | K | 76.9 | Confident | 68.9 | Low | 139 Ų | 139 | 60.4 Ų | 60.4 | 60% | 0.604 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 176.7 | -171.5 | -179.7 | 177.8 | -174.6 | 0 | 111.5 | A217 C218 C224 S225 L295 | A217-K221 WeakPolarHBondContact O-CB 3.15Å; A217-K221 PolarHBondContact O-N 2.71Å; C218-K221 WeakPolarHBondContact O-CB 3.48Å; C218-K221 PolarHBondContact O-N 2.9Å; K221-C224 PolarHBondContact O-N 3.3Å; K221-S225 WeakPolarHBondContact O-CB 3.21Å; K221-S225 PolarHBondContact O-N 3.06Å; K221-L295 HydrophobicContact CB-CD2 4.3Å |
| 222 | D | 74.9 | Confident | 66.2 | Low | 32 Ų | 32 | 62.9 Ų | 62.9 | 17% | 0.171 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 175.9 | -89.6 | 8.5 | 0 | 0 | 0 | 111.6 | C218 G219 C224 S225 H226 K243 | C218-D222 PolarHBondContact O-N 2.99Å; G219-D222 PolarHBondContact O-N 3.3Å; D222-C224 VanDerWaalsContact C-N 3.33Å; D222-C224 PolarHBondContact O-N 3.38Å; D222-S225 WeakPolarHBondContact CA-OG 3.32Å; D222-S225 PolarHBondContact O-N 3.29Å; D222-S225 VanDerWaalsContact O-N 3.16Å; D222-S225 PolarHBondContact O-OG 3.47Å; D222-H226 PolarHBondContact O-CD2 3.31Å; D222-H226 PolarHBondContact O-N 3.37Å; D222-H226 VanDerWaalsContact O-N 3.08Å; D222-K243 IonicContact OD1-NZ 3.66Å; D222-K243 WeakPolarHBondContact OD2-CD 3.38Å; D222-K243 WeakPolarHBondContact OD2-CE 3.34Å; D222-K243 IonicContact OD2-NZ 3.84Å; D222-K243 PolarHBondContact OD2-NZ 2.94Å |
| 223 | F | 74.9 | Confident | 63.9 | Low | 69 Ų | 69 | 68.5 Ų | 68.5 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57 | -44 | 175 | -177.5 | -98.9 | 0 | 0 | 0 | 112.1 | G219 L220 H226 G227 A298 P301 F302 | G219-F223 VanDerWaalsContact O-CB 3.25Å; G219-F223 WeakPolarHBondContact O-CB 3.44Å; G219-F223 PolarHBondContact O-N 2.6Å; L220-F223 PolarHBondContact O-N 3.41Å; F223-H226 PolarHBondContact O-N 3.44Å; F223-G227 PolarHBondContact O-N 3.33Å; F223-A298 HydrophobicContact CD1-CB 4.41Å; F223-P301 HydrophobicContact CE1-CB 4.27Å; F223-P301 HydrophobicContact CZ-CB 4.46Å; F223-F302 HydrophobicContact CB-CD2 3.7Å; F223-F302 HydrophobicContact CB-CE2 4.23Å; F223-F302 HydrophobicContact CD1-CB 3.83Å; F223-F302 HydrophobicContact CD1-CD2 4.26Å; F223-F302 HydrophobicContact CD1-CG 4.48Å; F223-F302 HydrophobicContact CD2-CD2 4.14Å; F223-F302 HydrophobicContact CE1-CB 4.07Å; F223-F302 HydrophobicContact CG-CB 4.23Å; F223-F302 AromaticContact CG-CD2 3.78Å; F223-F302 HydrophobicContact CG-CD2 3.78Å; F223-F302 HydrophobicContact CG-CG 4.44Å |
| 224 | C | 73.1 | Confident | 61.8 | Low | 32 Ų | 32 | 75.1 Ų | 75.1 | 22% | 0.216 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 175.3 | -68.7 | 0 | 0 | 0 | 0 | 113.1 | L220 K221 D222 H226 A228 L295 A298 | L220-C224 PolarHBondContact O-N 3.43Å; L220-C224 PolarHBondContact O-SG 3.42Å; K221-C224 PolarHBondContact O-N 3.3Å; D222-C224 VanDerWaalsContact C-N 3.33Å; D222-C224 PolarHBondContact O-N 3.38Å; C224-H226 VanDerWaalsContact C-N 3.25Å; C224-H226 PolarHBondContact O-N 3.49Å; C224-A228 PolarHBondContact O-N 2.84Å; C224-L295 HydrophobicContact CB-CD2 4.02Å; C224-L295 VanDerWaalsContact SG-CD2 3.51Å; C224-A298 WeakPolarHBondContact SG-CB 3.4Å |
| 225 | S | 68.8 | Low | 59.3 | Low | 60 Ų | 60 | 78.8 Ų | 78.8 | 42% | 0.42 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.5 | -29.2 | -178.2 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | K221 D222 | K221-S225 WeakPolarHBondContact O-CB 3.21Å; K221-S225 PolarHBondContact O-N 3.06Å; D222-S225 WeakPolarHBondContact CA-OG 3.32Å; D222-S225 PolarHBondContact O-N 3.29Å; D222-S225 VanDerWaalsContact O-N 3.16Å; D222-S225 PolarHBondContact O-OG 3.47Å |
| 226 | H | 63.4 | Low | 56.6 | Low | 113 Ų | 113 | 87 Ų | 87 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -90.4 | -34.5 | 177.8 | -79 | -71 | 0 | 0 | 0 | 113 | D222 F223 C224 A228 K229 | D222-H226 PolarHBondContact O-CD2 3.31Å; D222-H226 PolarHBondContact O-N 3.37Å; D222-H226 VanDerWaalsContact O-N 3.08Å; F223-H226 PolarHBondContact O-N 3.44Å; C224-H226 VanDerWaalsContact C-N 3.25Å; C224-H226 PolarHBondContact O-N 3.49Å; H226-A228 PolarHBondContact O-N 2.92Å; H226-K229 PolarHBondContact O-N 2.88Å |
| 227 | G | 52.1 | Low | 54.4 | Low | 64 Ų | 64 | 97.3 Ų | 97.3 | 66% | 0.66 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -22.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F223 | F223-G227 PolarHBondContact O-N 3.33Å |
| 228 | A | 42.4 | Very low | 51.9 | Low | 89 Ų | 89 | 99.3 Ų | 99.3 | 74% | 0.736 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -9.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C224 H226 | C224-A228 PolarHBondContact O-N 2.84Å; H226-A228 PolarHBondContact O-N 2.92Å |
| 229 | K | 40.6 | Very low | 49.7 | Very low | 179 Ų | 179 | 103.9 Ų | 103.9 | 78% | 0.778 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -2.1 | -170.9 | -76.8 | -171.1 | 175.5 | -176.8 | 0 | 116.4 | H226 Q231 | H226-K229 PolarHBondContact O-N 2.88Å; K229-Q231 PolarHBondContact O-N 3.43Å |
| 230 | D | 36.5 | Very low | 48 | Very low | 146 Ų | 146 | 113.8 Ų | 113.8 | 78% | 0.781 | 63% | 0.628 | S | S | * | * | trans | -104.3 | 51.5 | -173.1 | -122.6 | 9.6 | 0 | 0 | 0 | 113.9 | ||||
| 231 | Q | 32.5 | Very low | 46.4 | Very low | 204 Ų | 204 | 117.3 Ų | 117.3 | 95% | 0.953 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -125.7 | 70.5 | 157.2 | -70.7 | -165.5 | 10 | 0 | 0 | 109.7 | K229 | K229-Q231 PolarHBondContact O-N 3.43Š|
| 232 | G | 27.8 | Very low | 45.3 | Very low | 53 Ų | 53 | 115.1 Ų | 115.1 | 55% | 0.546 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -173.3 | 128.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 233 | P | 35.3 | Very low | 44.9 | Very low | 119 Ų | 119 | 116.6 Ų | 116.6 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | trans | -80.2 | 144.9 | -179 | 33.3 | -31.4 | 0 | 0 | 0 | 110.6 | ||||
| 234 | L | 37 | Very low | 44.9 | Very low | 164 Ų | 164 | 114.9 Ų | 114.9 | 86% | 0.859 | 65% | 0.648 | S | S | * | * | trans | 67.6 | 110.2 | 165.6 | -64.5 | 138.3 | 0 | 0 | 0 | 116 | ||||
| 235 | V | 29 | Very low | 44.7 | Very low | 128 Ų | 128 | 115 Ų | 115 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | -179.5 | 134 | 115 | 153.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 236 | E | 27.3 | Very low | 45.2 | Very low | 179 Ų | 179 | 112.8 Ų | 112.8 | 84% | 0.836 | 64% | 0.639 | S | S | * | * | trans | 69.8 | 101.7 | 161.7 | -78.7 | 170.1 | -170.6 | 0 | 0 | 122.2 | G238 | E236-G238 PolarHBondContact O-N 3.02Š| ||
| 237 | K | 36.2 | Very low | 46.1 | Very low | 218 Ų | 218 | 108 Ų | 108 | 95% | 0.948 | 62% | 0.618 | S | S | * | * | trans | -55.6 | 106.6 | 157.3 | -75.6 | 175.6 | 172.3 | 176.8 | 0 | 111.3 | ||||
| 238 | G | 25.9 | Very low | 47.4 | Very low | 60 Ų | 60 | 105.8 Ų | 105.8 | 62% | 0.619 | 59% | 0.592 | S | S | * | * | trans | -121.5 | 124.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | E236 R240 | E236-G238 PolarHBondContact O-N 3.02Å; G238-R240 PolarHBondContact O-N 3.42Å | ||
| 239 | S | 32.1 | Very low | 49 | Very low | 126 Ų | 126 | 103.1 Ų | 103.1 | 88% | 0.881 | 57% | 0.573 | S | S | * | * | trans | -46.3 | 88.8 | 177.1 | 167.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 240 | R | 41.8 | Very low | 51.1 | Low | 216 Ų | 216 | 94.9 Ų | 94.9 | 82% | 0.815 | 54% | 0.537 | S | S | * | . | trans | -126.1 | 106.2 | 167.4 | -75.9 | -174.2 | 179.8 | 179.2 | 1.2 | 108.2 | G238 | G238-R240 PolarHBondContact O-N 3.42Š| ||
| 241 | V | 46.1 | Very low | 53.3 | Low | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | trans | -53.2 | 137.4 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | P194 K243 | P194-V241 HydrophobicContact CG-CG2 4.15Å; V241-K243 PolarHBondContact O-N 3.43Å | ||
| 242 | P | 54.4 | Low | 55.5 | Low | 93 Ų | 93 | 79.1 Ų | 79.1 | 60% | 0.604 | 46% | 0.464 | S | S | * | . | trans | -59.3 | 110.5 | 176.1 | 23.2 | -32.4 | 0 | 0 | 0 | 108.8 | I244 G245 | P242-I244 HydrophobicContact CB-CG2 4.23Å; P242-I244 PolarHBondContact O-N 3.28Å; P242-G245 PolarHBondContact O-N 2.92Å | ||
| 243 | K | 66.9 | Low | 58.1 | Low | 62 Ų | 62 | 78.6 Ų | 78.6 | 27% | 0.27 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.4 | -20.6 | -173.5 | -64.1 | -179.3 | 176.4 | 176.3 | 0 | 114 | D222 V241 G245 S246 V247 | D222-K243 IonicContact OD1-NZ 3.66Å; D222-K243 WeakPolarHBondContact OD2-CD 3.38Å; D222-K243 WeakPolarHBondContact OD2-CE 3.34Å; D222-K243 IonicContact OD2-NZ 3.84Å; D222-K243 PolarHBondContact OD2-NZ 2.94Å; V241-K243 PolarHBondContact O-N 3.43Å; K243-G245 PolarHBondContact O-N 2.93Å; K243-S246 VanDerWaalsContact O-CB 3.3Å; K243-S246 WeakPolarHBondContact O-CB 3.26Å; K243-S246 PolarHBondContact O-N 3.2Å; K243-S246 VanDerWaalsContact O-N 3.17Å; K243-V247 PolarHBondContact O-N 3.48Å |
| 244 | I | 73.2 | Confident | 60.4 | Low | 34 Ų | 34 | 73 Ų | 73 | 17% | 0.174 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.6 | -32.7 | 171.3 | -164.5 | 68 | 0 | 0 | 0 | 112.2 | P242 S246 V247 V248 F302 L306 M309 | P242-I244 HydrophobicContact CB-CG2 4.23Å; P242-I244 PolarHBondContact O-N 3.28Å; I244-S246 VanDerWaalsContact C-N 3.29Å; I244-S246 PolarHBondContact O-N 3.34Å; I244-V247 PolarHBondContact O-N 2.89Å; I244-V248 VanDerWaalsContact O-CG2 3.27Å; I244-V248 WeakPolarHBondContact O-CG2 3.36Å; I244-V248 PolarHBondContact O-N 3.32Å; I244-F302 HydrophobicContact CD1-CD2 3.99Å; I244-F302 HydrophobicContact CD1-CE2 3.5Å; I244-L306 HydrophobicContact CD1-CD2 3.6Å; I244-L306 HydrophobicContact CD1-CG 4.29Å; I244-L306 HydrophobicContact CG1-CD2 4.24Å; I244-M309 HydrophobicContact CG1-SD 4.01Å; I244-M309 HydrophobicContact CG2-CE 4.02Å; I244-M309 HydrophobicContact CG2-SD 3.99Å |
| 245 | G | 69.9 | Low | 62.4 | Low | 33 Ų | 33 | 65.8 Ų | 65.8 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.3 | -33.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P242 K243 G249 | P242-G245 PolarHBondContact O-N 2.92Å; K243-G245 PolarHBondContact O-N 2.93Å; G245-G249 PolarHBondContact O-N 3.14Å |
| 246 | S | 78.3 | Confident | 64.6 | Low | 14 Ų | 14 | 63.3 Ų | 63.3 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.7 | -48.6 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | S193 D197 K243 I244 V248 G249 I250 | S193-S246 WeakPolarHBondContact OG-CB 3.19Å; S193-S246 PolarHBondContact OG-OG 2.97Å; D197-S246 PolarHBondContact OD1-OG 2.85Å; D197-S246 WeakPolarHBondContact OD2-CA 3.46Å; D197-S246 WeakPolarHBondContact OD2-CB 3.45Å; D197-S246 PolarHBondContact OD2-OG 3.49Å; K243-S246 VanDerWaalsContact O-CB 3.3Å; K243-S246 WeakPolarHBondContact O-CB 3.26Å; K243-S246 PolarHBondContact O-N 3.2Å; K243-S246 VanDerWaalsContact O-N 3.17Å; I244-S246 VanDerWaalsContact C-N 3.29Å; I244-S246 PolarHBondContact O-N 3.34Å; S246-V248 VanDerWaalsContact C-N 3.3Å; S246-V248 PolarHBondContact O-N 2.85Å; S246-G249 PolarHBondContact O-N 2.99Å; S246-G249 VanDerWaalsContact O-N 3.14Å; S246-I250 VanDerWaalsContact O-CG1 3.28Å; S246-I250 WeakPolarHBondContact O-CG1 3.49Å; S246-I250 PolarHBondContact O-N 3.27Å |
| 247 | V | 82.3 | Confident | 66.9 | Low | 13 Ų | 13 | 62.4 Ų | 62.4 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 176 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | V215 K243 I244 L251 L306 | V215-V247 HydrophobicContact CG1-CG1 4.16Å; K243-V247 PolarHBondContact O-N 3.48Å; I244-V247 PolarHBondContact O-N 2.89Å; V247-L251 HydrophobicContact CG1-CD1 3.78Å; V247-L251 HydrophobicContact CG1-CG 4.38Å; V247-L251 WeakPolarHBondContact O-CB 3.49Å; V247-L251 VanDerWaalsContact O-CG 3.28Å; V247-L251 WeakPolarHBondContact O-CG 3.2Å; V247-L251 PolarHBondContact O-N 3.02Å; V247-L306 HydrophobicContact CG1-CD2 3.89Å |
| 248 | V | 79.3 | Confident | 69.1 | Low | 18 Ų | 18 | 54.2 Ų | 54.2 | 11% | 0.109 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | I244 S246 G252 L306 M309 | I244-V248 VanDerWaalsContact O-CG2 3.27Å; I244-V248 WeakPolarHBondContact O-CG2 3.36Å; I244-V248 PolarHBondContact O-N 3.32Å; S246-V248 VanDerWaalsContact C-N 3.3Å; S246-V248 PolarHBondContact O-N 2.85Å; V248-G252 WeakPolarHBondContact O-CA 3.47Å; V248-G252 PolarHBondContact O-N 3.03Å; V248-L306 HydrophobicContact CG2-CD2 3.6Å; V248-M309 HydrophobicContact CG1-CB 4.34Å; V248-M309 HydrophobicContact CG2-CB 3.9Å; V248-M309 HydrophobicContact CG2-SD 4.46Å |
| 249 | G | 77.9 | Confident | 71.5 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | G245 S246 G252 H253 | G245-G249 PolarHBondContact O-N 3.14Å; S246-G249 PolarHBondContact O-N 2.99Å; S246-G249 VanDerWaalsContact O-N 3.14Å; G249-G252 PolarHBondContact O-N 3.28Å; G249-H253 PolarHBondContact O-N 3.42Å; G249-H253 VanDerWaalsContact O-N 3.07Å |
| 250 | I | 82.9 | Confident | 73.5 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -52.5 | 178.3 | -65.3 | 162.4 | 0 | 0 | 0 | 110.4 | D197 V200 A201 S246 G252 H253 L254 | D197-I250 HydrophobicContact CB-CD1 4.18Å; D197-I250 HydrophobicContact CB-CG1 4.05Å; V200-I250 HydrophobicContact CB-CD1 4.02Å; V200-I250 HydrophobicContact CG1-CD1 3.99Å; V200-I250 HydrophobicContact CG1-CG2 4.19Å; A201-I250 HydrophobicContact CB-CG2 4.4Å; S246-I250 VanDerWaalsContact O-CG1 3.28Å; S246-I250 WeakPolarHBondContact O-CG1 3.49Å; S246-I250 PolarHBondContact O-N 3.27Å; I250-G252 VanDerWaalsContact C-N 3.29Å; I250-G252 PolarHBondContact O-N 3.13Å; I250-H253 PolarHBondContact O-N 3.45Å; I250-L254 HydrophobicContact CG2-CD1 4.07Å; I250-L254 WeakPolarHBondContact O-CG 3.35Å; I250-L254 PolarHBondContact O-N 3.5Å |
| 251 | L | 83.5 | Confident | 75.3 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -34.4 | 179.4 | -66.5 | 175.9 | 0 | 0 | 0 | 111.8 | I212 L216 V247 L254 A255 L313 | I212-L251 HydrophobicContact CG2-CD2 4.26Å; L216-L251 HydrophobicContact CD2-CD1 3.67Å; L216-L251 HydrophobicContact CG-CD1 4.33Å; V247-L251 HydrophobicContact CG1-CD1 3.78Å; V247-L251 HydrophobicContact CG1-CG 4.38Å; V247-L251 WeakPolarHBondContact O-CB 3.49Å; V247-L251 VanDerWaalsContact O-CG 3.28Å; V247-L251 WeakPolarHBondContact O-CG 3.2Å; V247-L251 PolarHBondContact O-N 3.02Å; L251-L254 PolarHBondContact O-N 2.67Å; L251-A255 VanDerWaalsContact O-CB 3.32Å; L251-A255 WeakPolarHBondContact O-CB 3.32Å; L251-A255 PolarHBondContact O-N 3.49Å; L251-L313 HydrophobicContact CB-CD1 4.06Å; L251-L313 HydrophobicContact CB-CD2 3.93Å; L251-L313 HydrophobicContact CD1-CD1 4.28Å |
| 252 | G | 79.4 | Confident | 76.9 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 19% | 0.186 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V248 G249 I250 | V248-G252 WeakPolarHBondContact O-CA 3.47Å; V248-G252 PolarHBondContact O-N 3.03Å; G249-G252 PolarHBondContact O-N 3.28Å; I250-G252 VanDerWaalsContact C-N 3.29Å; I250-G252 PolarHBondContact O-N 3.13Å |
| 253 | H | 82.6 | Confident | 77.8 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -47.2 | 172.9 | 178.2 | 85.2 | 0 | 0 | 0 | 111.9 | L146 N147 G249 I250 A255 A256 | L146-H253 HydrophobicContact CD2-CB 3.38Å; L146-H253 VanDerWaalsContact CD2-CG 3.43Å; N147-H253 PolarHBondContact OD1-CE1 2.97Å; N147-H253 PolarHBondContact OD1-ND1 3.25Å; G249-H253 PolarHBondContact O-N 3.42Å; G249-H253 VanDerWaalsContact O-N 3.07Å; I250-H253 PolarHBondContact O-N 3.45Å; H253-A255 PolarHBondContact O-N 2.85Å; H253-A256 PolarHBondContact O-N 3.49Å |
| 254 | L | 82.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -28.8 | 179.6 | -66.1 | 175.3 | 0 | 0 | 0 | 112.8 | G204 S205 I212 I250 L251 A256 H257 H258 I262 | G204-L254 VanDerWaalsContact C-CD2 3.4Å; S205-L254 WeakPolarHBondContact OG-CD2 3.45Å; I212-L254 HydrophobicContact CG1-CD1 4.06Å; I250-L254 HydrophobicContact CG2-CD1 4.07Å; I250-L254 WeakPolarHBondContact O-CG 3.35Å; I250-L254 PolarHBondContact O-N 3.5Å; L251-L254 PolarHBondContact O-N 2.67Å; L254-A256 PolarHBondContact O-N 2.81Å; L254-A256 VanDerWaalsContact O-N 3.17Å; L254-H257 PolarHBondContact O-N 3.34Å; L254-H258 PolarHBondContact O-N 3.21Å; L254-I262 HydrophobicContact CB-CD1 4.08Å |
| 255 | A | 78.6 | Confident | 78.6 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -24.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L251 H253 H257 S259 I262 N312 | L251-A255 VanDerWaalsContact O-CB 3.32Å; L251-A255 WeakPolarHBondContact O-CB 3.32Å; L251-A255 PolarHBondContact O-N 3.49Å; H253-A255 PolarHBondContact O-N 2.85Å; A255-H257 VanDerWaalsContact C-N 3.3Å; A255-H257 PolarHBondContact O-N 3.43Å; A255-S259 WeakPolarHBondContact O-CB 3.42Å; A255-I262 HydrophobicContact CB-CD1 3.97Å; A255-N312 HydrophobicContact CB-CB 4.13Å |
| 256 | A | 75.6 | Confident | 78.9 | Confident | 76 Ų | 76 | 43.6 Ų | 43.6 | 63% | 0.628 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.6 | -33.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | H253 L254 | H253-A256 PolarHBondContact O-N 3.49Å; L254-A256 PolarHBondContact O-N 2.81Å; L254-A256 VanDerWaalsContact O-N 3.17Å |
| 257 | H | 76.6 | Confident | 78.6 | Confident | 160 Ų | 160 | 45.6 Ų | 45.6 | 74% | 0.741 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -122 | -17.6 | -175.2 | -66.4 | -72.5 | 0 | 0 | 0 | 114.2 | L254 A255 | L254-H257 PolarHBondContact O-N 3.34Å; A255-H257 VanDerWaalsContact C-N 3.3Å; A255-H257 PolarHBondContact O-N 3.43Å |
| 258 | H | 82 | Confident | 78.4 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 21% | 0.208 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -130.7 | 29.1 | -172.4 | -56.8 | -60.5 | 0 | 0 | 0 | 114.1 | S205 P208 L254 D260 S261 I262 | S205-H258 PolarHBondContact O-NE2 3.18Å; P208-H258 HydrophobicContact CB-CB 4.16Å; L254-H258 PolarHBondContact O-N 3.21Å; H258-D260 PolarHBondContact O-N 2.97Å; H258-S261 PolarHBondContact O-N 3.46Å; H258-I262 PolarHBondContact O-N 2.97Å; H258-I262 VanDerWaalsContact O-N 3.17Å |
| 259 | S | 76.8 | Confident | 78.3 | Confident | 51 Ų | 51 | 47.4 Ų | 47.4 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.3 | -36.2 | -179.6 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | A255 I262 R263 | A255-S259 WeakPolarHBondContact O-CB 3.42Å; S259-I262 PolarHBondContact O-N 3.46Å; S259-R263 WeakPolarHBondContact O-CB 3.05Å; S259-R263 PolarHBondContact O-N 3.22Å |
| 260 | D | 74.1 | Confident | 78 | Confident | 90 Ų | 90 | 47 Ų | 47 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.1 | -35.9 | 178 | -70.4 | -24.7 | 0 | 0 | 0 | 113.3 | H258 R263 K264 | H258-D260 PolarHBondContact O-N 2.97Å; D260-R263 PolarHBondContact O-N 3.5Å; D260-R263 IonicContact OD1-CZ 3.96Å; D260-R263 IonicContact OD1-NH1 3.75Å; D260-R263 PolarHBondContact OD1-NH1 3.42Å; D260-R263 IonicContact OD1-NH2 3.31Å; D260-K264 WeakPolarHBondContact O-CG 3.28Å; D260-K264 PolarHBondContact O-N 3.2Å |
| 261 | S | 79.1 | Confident | 77.5 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | H258 K264 E265 | H258-S261 PolarHBondContact O-N 3.46Å; S261-K264 PolarHBondContact O-N 2.93Å; S261-E265 PolarHBondContact O-N 3.31Å; S261-E265 VanDerWaalsContact O-N 3.16Å |
| 262 | I | 79.6 | Confident | 77 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 172.7 | -63 | 172 | 0 | 0 | 0 | 110.2 | I212 L254 A255 H258 S259 K264 E265 L266 L313 | I212-I262 HydrophobicContact CD1-CG1 3.62Å; I212-I262 HydrophobicContact CG1-CG1 4.21Å; I212-I262 HydrophobicContact CG2-CG1 4.25Å; L254-I262 HydrophobicContact CB-CD1 4.08Å; A255-I262 HydrophobicContact CB-CD1 3.97Å; H258-I262 PolarHBondContact O-N 2.97Å; H258-I262 VanDerWaalsContact O-N 3.17Å; S259-I262 PolarHBondContact O-N 3.46Å; I262-K264 PolarHBondContact O-N 2.93Å; I262-E265 PolarHBondContact O-N 3.43Å; I262-L266 HydrophobicContact CG2-CD1 3.59Å; I262-L266 HydrophobicContact CG2-CG 4.12Å; I262-L266 WeakPolarHBondContact O-CB 3.4Å; I262-L266 VanDerWaalsContact O-CG 3.25Å; I262-L266 WeakPolarHBondContact O-CG 3.35Å; I262-L266 PolarHBondContact O-N 3.49Å; I262-L313 HydrophobicContact CG2-CD2 4.03Å |
| 263 | R | 73.5 | Confident | 76.5 | Confident | 99 Ų | 99 | 54.8 Ų | 54.8 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 179 | -168.1 | -174.7 | -55.3 | 109.9 | 6.7 | 112.3 | S259 D260 E265 L267 A316 | S259-R263 WeakPolarHBondContact O-CB 3.05Å; S259-R263 PolarHBondContact O-N 3.22Å; D260-R263 PolarHBondContact O-N 3.5Å; D260-R263 IonicContact OD1-CZ 3.96Å; D260-R263 IonicContact OD1-NH1 3.75Å; D260-R263 PolarHBondContact OD1-NH1 3.42Å; D260-R263 IonicContact OD1-NH2 3.31Å; R263-E265 VanDerWaalsContact C-N 3.31Å; R263-E265 PolarHBondContact O-N 3.31Å; R263-L267 VanDerWaalsContact O-CB 3.29Å; R263-L267 WeakPolarHBondContact O-CB 3.28Å; R263-L267 PolarHBondContact O-N 3.4Å; R263-A316 HydrophobicContact CB-CB 4.13Å; R263-A316 HydrophobicContact CG-CB 4.15Å |
| 264 | K | 76.5 | Confident | 75.7 | Confident | 155 Ų | 155 | 56.3 Ų | 56.3 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 179 | -75.7 | 175.3 | -177.7 | 177.8 | 0 | 112.1 | D260 S261 I262 R268 | D260-K264 WeakPolarHBondContact O-CG 3.28Å; D260-K264 PolarHBondContact O-N 3.2Å; S261-K264 PolarHBondContact O-N 2.93Å; I262-K264 PolarHBondContact O-N 2.93Å; K264-R268 WeakPolarHBondContact O-CB 3.36Å; K264-R268 PolarHBondContact O-N 2.81Å |
| 265 | E | 79.4 | Confident | 74.7 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -76 | -39.2 | -177.1 | -170.7 | 59.8 | -164.6 | 0 | 0 | 112.9 | I212 S213 L216 S261 I262 R263 L267 R268 M269 | I212-E265 HydrophobicContact CG2-CB 4.07Å; I212-E265 HydrophobicContact CG2-CG 4.16Å; S213-E265 WeakPolarHBondContact CA-OE1 3.26Å; S213-E265 WeakPolarHBondContact CB-OE1 3.43Å; S213-E265 PolarHBondContact OG-OE1 2.89Å; L216-E265 HydrophobicContact CD1-CB 4.38Å; L216-E265 HydrophobicContact CD1-CG 3.85Å; S261-E265 PolarHBondContact O-N 3.31Å; S261-E265 VanDerWaalsContact O-N 3.16Å; I262-E265 PolarHBondContact O-N 3.43Å; R263-E265 VanDerWaalsContact C-N 3.31Å; R263-E265 PolarHBondContact O-N 3.31Å; E265-L267 VanDerWaalsContact C-N 3.3Å; E265-L267 PolarHBondContact O-N 3.48Å; E265-R268 PolarHBondContact O-N 3.04Å; E265-R268 IonicContact OE1-CZ 3.64Å; E265-R268 VanDerWaalsContact OE1-CZ 3.31Å; E265-R268 IonicContact OE1-NE 3.83Å; E265-R268 PolarHBondContact OE1-NE 3.25Å; E265-R268 IonicContact OE1-NH2 3.63Å; E265-R268 PolarHBondContact OE1-NH2 3.27Å; E265-R268 IonicContact OE2-CZ 2.69Å; E265-R268 IonicContact OE2-NE 3.99Å; E265-R268 PolarHBondContact OE2-NE 3.07Å; E265-M269 WeakPolarHBondContact O-CB 3.44Å; E265-M269 PolarHBondContact O-N 3.32Å |
| 266 | L | 77.1 | Confident | 73.7 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 172.1 | -67.3 | 171.9 | 0 | 0 | 0 | 111 | L216 I262 M269 F270 L303 A316 V317 | L216-L266 HydrophobicContact CD1-CD2 3.81Å; L216-L266 HydrophobicContact CD1-CG 4.38Å; L216-L266 HydrophobicContact CD2-CD2 3.8Å; L216-L266 HydrophobicContact CG-CD2 4.5Å; I262-L266 HydrophobicContact CG2-CD1 3.59Å; I262-L266 HydrophobicContact CG2-CG 4.12Å; I262-L266 WeakPolarHBondContact O-CB 3.4Å; I262-L266 VanDerWaalsContact O-CG 3.25Å; I262-L266 WeakPolarHBondContact O-CG 3.35Å; I262-L266 PolarHBondContact O-N 3.49Å; L266-M269 PolarHBondContact O-N 2.99Å; L266-F270 WeakPolarHBondContact O-CB 3.38Å; L266-F270 PolarHBondContact O-N 2.94Å; L266-L303 HydrophobicContact CD2-CD2 3.4Å; L266-L303 VanDerWaalsContact CD2-CD2 3.4Å; L266-A316 HydrophobicContact CD1-CB 4.16Å; L266-V317 HydrophobicContact CD1-CG2 3.85Å |
| 267 | L | 71.8 | Confident | 72.4 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 29% | 0.293 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 175.6 | 179.3 | 72 | 0 | 0 | 0 | 111.5 | R263 E265 M269 F270 Q271 E320 | R263-L267 VanDerWaalsContact O-CB 3.29Å; R263-L267 WeakPolarHBondContact O-CB 3.28Å; R263-L267 PolarHBondContact O-N 3.4Å; E265-L267 VanDerWaalsContact C-N 3.3Å; E265-L267 PolarHBondContact O-N 3.48Å; L267-M269 VanDerWaalsContact C-N 3.33Å; L267-M269 PolarHBondContact O-N 3.34Å; L267-F270 PolarHBondContact O-N 3.45Å; L267-Q271 HydrophobicContact CD1-CG 4.19Å; L267-Q271 HydrophobicContact CG-CG 4.3Å; L267-Q271 WeakPolarHBondContact O-CB 3.49Å; L267-Q271 WeakPolarHBondContact O-CG 3.45Å; L267-Q271 PolarHBondContact O-N 3.22Å; L267-E320 HydrophobicContact CD1-CB 4.31Å; L267-E320 HydrophobicContact CD1-CG 3.98Å |
| 268 | R | 77.6 | Confident | 70.9 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.6 | -49.9 | 176.5 | -173.8 | -175.8 | 79.9 | 87.3 | -0.9 | 110.7 | S213 K264 E265 F270 Q271 E272 E290 | S213-R268 PolarHBondContact OG-NH2 2.94Å; K264-R268 WeakPolarHBondContact O-CB 3.36Å; K264-R268 PolarHBondContact O-N 2.81Å; E265-R268 PolarHBondContact O-N 3.04Å; E265-R268 IonicContact OE1-CZ 3.64Å; E265-R268 VanDerWaalsContact OE1-CZ 3.31Å; E265-R268 IonicContact OE1-NE 3.83Å; E265-R268 PolarHBondContact OE1-NE 3.25Å; E265-R268 IonicContact OE1-NH2 3.63Å; E265-R268 PolarHBondContact OE1-NH2 3.27Å; E265-R268 IonicContact OE2-CZ 2.69Å; E265-R268 IonicContact OE2-NE 3.99Å; E265-R268 PolarHBondContact OE2-NE 3.07Å; R268-F270 VanDerWaalsContact C-N 3.34Å; R268-F270 PolarHBondContact O-N 3.36Å; R268-Q271 PolarHBondContact O-N 2.95Å; R268-E272 HydrophobicContact CG-CG 4.44Å; R268-E272 WeakPolarHBondContact CG-OE1 3.43Å; R268-E272 IonicContact CZ-OE1 3.38Å; R268-E272 IonicContact CZ-OE2 2.84Å; R268-E272 IonicContact NE-OE1 3.97Å; R268-E272 IonicContact NH1-OE1 2.75Å; R268-E272 PolarHBondContact NH1-OE1 3.4Å; R268-E272 IonicContact NH1-OE2 3.53Å; R268-E272 PolarHBondContact NH1-OE2 3.01Å; R268-E272 VanDerWaalsContact O-CB 3.31Å; R268-E272 WeakPolarHBondContact O-CB 3.32Å; R268-E272 VanDerWaalsContact O-CG 3.27Å; R268-E272 WeakPolarHBondContact O-CG 3.35Å; R268-E272 PolarHBondContact O-N 3.19Å; R268-E290 IonicContact CZ-OE1 2.89Å; R268-E290 IonicContact NH1-OE1 2.77Å; R268-E290 PolarHBondContact NH1-OE1 3.39Å; R268-E290 IonicContact NH2-OE1 2.68Å |
| 269 | M | 77.3 | Confident | 69 | Low | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 178.4 | -172.2 | 170 | -65.6 | 0 | 0 | 112.7 | L216 L220 E265 L266 L267 S273 W289 L303 | L216-M269 HydrophobicContact CB-CE 3.56Å; L216-M269 HydrophobicContact CB-SD 4.31Å; L216-M269 HydrophobicContact CD1-CE 4.46Å; L220-M269 HydrophobicContact CD2-SD 4.49Å; E265-M269 WeakPolarHBondContact O-CB 3.44Å; E265-M269 PolarHBondContact O-N 3.32Å; L266-M269 PolarHBondContact O-N 2.99Å; L267-M269 VanDerWaalsContact C-N 3.33Å; L267-M269 PolarHBondContact O-N 3.34Å; M269-S273 WeakPolarHBondContact O-CB 3.27Å; M269-S273 PolarHBondContact O-N 3.03Å; M269-S273 VanDerWaalsContact O-N 3.09Å; M269-W289 HydrophobicContact CB-CH2 4.23Å; M269-W289 HydrophobicContact CB-CZ2 4.02Å; M269-W289 HydrophobicContact CE-CZ2 4.19Å; M269-W289 HydrophobicContact CG-CH2 3.63Å; M269-W289 HydrophobicContact CG-CZ2 3.62Å; M269-W289 HydrophobicContact CG-CZ3 4.3Å; M269-L303 HydrophobicContact CB-CD1 4.46Å; M269-L303 HydrophobicContact CG-CD1 4.22Å; M269-L303 HydrophobicContact SD-CD2 4.06Å |
| 270 | F | 72.8 | Confident | 67.4 | Low | 24 Ų | 24 | 70.6 Ų | 70.6 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.1 | -48.7 | 175.5 | -174.4 | -102.5 | 0 | 0 | 0 | 112 | L266 L267 R268 E272 S273 L274 V300 L303 G324 | L266-F270 WeakPolarHBondContact O-CB 3.38Å; L266-F270 PolarHBondContact O-N 2.94Å; L267-F270 PolarHBondContact O-N 3.45Å; R268-F270 VanDerWaalsContact C-N 3.34Å; R268-F270 PolarHBondContact O-N 3.36Å; F270-E272 PolarHBondContact O-N 2.9Å; F270-S273 WeakPolarHBondContact O-CB 3.42Å; F270-S273 PolarHBondContact O-N 3.43Å; F270-S273 PolarHBondContact O-OG 3.2Å; F270-L274 HydrophobicContact CD1-CD1 3.93Å; F270-L274 HydrophobicContact CE1-CD1 3.46Å; F270-L274 VanDerWaalsContact CE1-CD1 3.46Å; F270-L274 HydrophobicContact CZ-CD1 3.8Å; F270-L274 WeakPolarHBondContact O-CG 3.32Å; F270-L274 PolarHBondContact O-N 3.48Å; F270-V300 HydrophobicContact CD2-CG2 4.22Å; F270-V300 HydrophobicContact CE2-CG1 4.4Å; F270-V300 HydrophobicContact CE2-CG2 4.17Å; F270-L303 HydrophobicContact CB-CD1 4.12Å; F270-L303 HydrophobicContact CD2-CD1 4.35Å; F270-G324 WeakPolarHBondContact CZ-O 3.47Å |
| 271 | Q | 70.9 | Confident | 65.6 | Low | 114 Ų | 114 | 70.7 Ų | 70.7 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 179.4 | -71.6 | 175.9 | -11.7 | 0 | 0 | 112.2 | L267 R268 S273 L274 A275 | L267-Q271 HydrophobicContact CD1-CG 4.19Å; L267-Q271 HydrophobicContact CG-CG 4.3Å; L267-Q271 WeakPolarHBondContact O-CB 3.49Å; L267-Q271 WeakPolarHBondContact O-CG 3.45Å; L267-Q271 PolarHBondContact O-N 3.22Å; R268-Q271 PolarHBondContact O-N 2.95Å; Q271-S273 VanDerWaalsContact C-N 3.29Å; Q271-S273 PolarHBondContact O-N 3.45Å; Q271-L274 PolarHBondContact O-N 3.01Å; Q271-A275 PolarHBondContact O-N 3.18Å; Q271-A275 VanDerWaalsContact O-N 3.16Å |
| 272 | E | 72.7 | Confident | 63.6 | Low | 55 Ų | 55 | 75.3 Ų | 75.3 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.9 | -26.7 | 177.2 | -72.1 | 168.2 | -179.4 | 0 | 0 | 112.6 | R268 F270 L274 W289 | R268-E272 HydrophobicContact CG-CG 4.44Å; R268-E272 WeakPolarHBondContact CG-OE1 3.43Å; R268-E272 IonicContact CZ-OE1 3.38Å; R268-E272 IonicContact CZ-OE2 2.84Å; R268-E272 IonicContact NE-OE1 3.97Å; R268-E272 IonicContact NH1-OE1 2.75Å; R268-E272 PolarHBondContact NH1-OE1 3.4Å; R268-E272 IonicContact NH1-OE2 3.53Å; R268-E272 PolarHBondContact NH1-OE2 3.01Å; R268-E272 VanDerWaalsContact O-CB 3.31Å; R268-E272 WeakPolarHBondContact O-CB 3.32Å; R268-E272 VanDerWaalsContact O-CG 3.27Å; R268-E272 WeakPolarHBondContact O-CG 3.35Å; R268-E272 PolarHBondContact O-N 3.19Å; F270-E272 PolarHBondContact O-N 2.9Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-W289 HydrophobicContact CB-CH2 3.88Å; E272-W289 HydrophobicContact CB-CZ2 4.37Å; E272-W289 VanDerWaalsContact OE2-CZ2 3.25Å; E272-W289 WeakPolarHBondContact OE2-CZ2 3.39Å |
| 273 | S | 70.3 | Confident | 61.5 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 15% | 0.147 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -69.9 | -29.3 | 172.6 | 78.2 | 0 | 0 | 0 | 0 | 113.1 | M269 F270 Q271 V300 | M269-S273 WeakPolarHBondContact O-CB 3.27Å; M269-S273 PolarHBondContact O-N 3.03Å; M269-S273 VanDerWaalsContact O-N 3.09Å; F270-S273 WeakPolarHBondContact O-CB 3.42Å; F270-S273 PolarHBondContact O-N 3.43Å; F270-S273 PolarHBondContact O-OG 3.2Å; Q271-S273 VanDerWaalsContact C-N 3.29Å; Q271-S273 PolarHBondContact O-N 3.45Å; S273-V300 WeakPolarHBondContact OG-CG2 3.46Å |
| 274 | L | 65.2 | Low | 59.7 | Low | 72 Ų | 72 | 81.1 Ų | 81.1 | 38% | 0.377 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -90.6 | -15.7 | -178.6 | -64.1 | 174.7 | 0 | 0 | 0 | 113.3 | F270 Q271 E272 P326 | F270-L274 HydrophobicContact CD1-CD1 3.93Å; F270-L274 HydrophobicContact CE1-CD1 3.46Å; F270-L274 VanDerWaalsContact CE1-CD1 3.46Å; F270-L274 HydrophobicContact CZ-CD1 3.8Å; F270-L274 WeakPolarHBondContact O-CG 3.32Å; F270-L274 PolarHBondContact O-N 3.48Å; Q271-L274 PolarHBondContact O-N 3.01Å; E272-L274 VanDerWaalsContact C-N 3.32Å; L274-P326 HydrophobicContact CD2-CB 4.5Å; L274-P326 HydrophobicContact CD2-CG 3.71Å |
| 275 | A | 62.3 | Low | 57.7 | Low | 51 Ų | 51 | 78.7 Ų | 78.7 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -69.4 | 133.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q271 S277 | Q271-A275 PolarHBondContact O-N 3.18Å; Q271-A275 VanDerWaalsContact O-N 3.16Å; A275-S277 PolarHBondContact O-N 3.47Å |
| 276 | P | 56.5 | Low | 56 | Low | 117 Ų | 117 | 81.7 Ų | 81.7 | 76% | 0.76 | 51% | 0.505 | S | S | * | . | trans | -63.4 | 135.6 | 176.9 | 24.5 | -31.3 | 0 | 0 | 0 | 110.4 | T278 | P276-T278 PolarHBondContact O-N 3.29Š| ||
| 277 | S | 47.9 | Very low | 54.5 | Low | 90 Ų | 90 | 85.1 Ų | 85.1 | 63% | 0.629 | 53% | 0.526 | S | S | * | . | trans | -61 | 97.8 | -179.1 | 44.2 | 0 | 0 | 0 | 0 | 111.7 | A275 | A275-S277 PolarHBondContact O-N 3.47Š| ||
| 278 | T | 45.8 | Very low | 53.9 | Low | 105 Ų | 105 | 84.9 Ų | 84.9 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | trans | -83.1 | 125 | 162.3 | 33.8 | 0 | 0 | 0 | 0 | 108.9 | P276 L280 | P276-T278 PolarHBondContact O-N 3.29Å; T278-L280 PolarHBondContact O-N 3.23Å | ||
| 279 | P | 43 | Very low | 53.3 | Low | 134 Ų | 134 | 82.3 Ų | 82.3 | 87% | 0.87 | 52% | 0.52 | S | S | * | . | trans | -69.6 | 112.4 | 169.8 | 26.4 | -28.9 | 0 | 0 | 0 | 108.3 | ||||
| 280 | L | 42.4 | Very low | 52.6 | Low | 150 Ų | 150 | 85.7 Ų | 85.7 | 79% | 0.785 | 54% | 0.535 | S | S | * | . | trans | -120.5 | 150.1 | 176.2 | -86 | 155.9 | 0 | 0 | 0 | 111.8 | T278 | T278-L280 PolarHBondContact O-N 3.23Š| ||
| 281 | S | 36.3 | Very low | 51.9 | Low | 92 Ų | 92 | 88.7 Ų | 88.7 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | trans | -57.7 | 159.4 | -159 | -52.9 | 0 | 0 | 0 | 0 | 117.9 | S283 | S281-S283 VanDerWaalsContact C-N 3.35Å; S281-S283 PolarHBondContact O-N 3.11Å | ||
| 282 | P | 37.1 | Very low | 51.7 | Low | 141 Ų | 141 | 85 Ų | 85 | 92% | 0.916 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -87.3 | 39.2 | -164.4 | 36.1 | -34.6 | 0 | 0 | 0 | 115.2 | ||
| 283 | S | 35.6 | Very low | 51.4 | Low | 114 Ų | 114 | 85.9 Ų | 85.9 | 80% | 0.797 | 56% | 0.562 | S | S | * | * | trans | -125.1 | 30 | -173.9 | 74.8 | 0 | 0 | 0 | 0 | 116.5 | S281 | S281-S283 VanDerWaalsContact C-N 3.35Å; S281-S283 PolarHBondContact O-N 3.11Å | ||
| 284 | S | 35.6 | Very low | 51.4 | Low | 109 Ų | 109 | 91.8 Ų | 91.8 | 76% | 0.762 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -126.3 | 122.8 | 162.4 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | S286 | S284-S286 PolarHBondContact O-N 3.27Š|
| 285 | S | 34.7 | Very low | 51.5 | Low | 105 Ų | 105 | 89.6 Ų | 89.6 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | trans | -58 | 120.9 | -178 | 44.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 286 | S | 42.6 | Very low | 52 | Low | 89 Ų | 89 | 89.9 Ų | 89.9 | 62% | 0.622 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 35.1 | 125.8 | 145.6 | 61.9 | 0 | 0 | 0 | 0 | 119.7 | S284 | S284-S286 PolarHBondContact O-N 3.27Š|
| 287 | T | 46.4 | Very low | 52.6 | Low | 80 Ų | 80 | 92.2 Ų | 92.2 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | trans | 109.7 | 5 | 155.2 | 72.8 | 0 | 0 | 0 | 0 | 119.3 | R214 W289 | R214-T287 PolarHBondContact NH1-OG1 3.49Å; R214-T287 PolarHBondContact NH2-OG1 2.95Å; T287-W289 PolarHBondContact O-N 3.09Å | ||
| 288 | S | 59 | Low | 53.6 | Low | 52 Ų | 52 | 88.8 Ų | 88.8 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | trans | -77.3 | 120.9 | 173.7 | -167.8 | 0 | 0 | 0 | 0 | 112 | E290 A291 | S288-E290 PolarHBondContact O-N 3.46Å; S288-E290 WeakPolarHBondContact OG-CB 3.33Å; S288-E290 WeakPolarHBondContact OG-CG 3.43Å; S288-E290 PolarHBondContact OG-OE1 3.43Å; S288-E290 VanDerWaalsContact OG-OE1 3.1Å; S288-E290 PolarHBondContact OG-OE2 2.9Å; S288-A291 PolarHBondContact O-N 3.03Å | ||
| 289 | W | 65.3 | Low | 54.9 | Low | 14 Ų | 14 | 83.8 Ų | 83.8 | 5% | 0.053 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -56 | -18.8 | 175.4 | 61.1 | -86.6 | 0 | 0 | 0 | 112.6 | A217 L220 M269 E272 T287 A291 S292 L295 R296 A299 | A217-W289 HydrophobicContact CB-CG 4.43Å; L220-W289 HydrophobicContact CD2-CD2 4.13Å; L220-W289 HydrophobicContact CD2-CE3 3.84Å; L220-W289 HydrophobicContact CD2-CG 4.41Å; M269-W289 HydrophobicContact CB-CH2 4.23Å; M269-W289 HydrophobicContact CB-CZ2 4.02Å; M269-W289 HydrophobicContact CE-CZ2 4.19Å; M269-W289 HydrophobicContact CG-CH2 3.63Å; M269-W289 HydrophobicContact CG-CZ2 3.62Å; M269-W289 HydrophobicContact CG-CZ3 4.3Å; E272-W289 HydrophobicContact CB-CH2 3.88Å; E272-W289 HydrophobicContact CB-CZ2 4.37Å; E272-W289 VanDerWaalsContact OE2-CZ2 3.25Å; E272-W289 WeakPolarHBondContact OE2-CZ2 3.39Å; T287-W289 PolarHBondContact O-N 3.09Å; W289-A291 PolarHBondContact O-N 2.95Å; W289-S292 PolarHBondContact O-N 2.88Å; W289-L295 HydrophobicContact CB-CB 4.43Å; W289-L295 HydrophobicContact CB-CD1 4.09Å; W289-R296 HydrophobicContact CE3-CG 4.36Å; W289-R296 HydrophobicContact CZ3-CG 3.93Å; W289-A299 HydrophobicContact CZ3-CB 4.32Å |
| 290 | E | 63.2 | Low | 56.3 | Low | 71 Ų | 71 | 78 Ų | 78 | 33% | 0.332 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -54.2 | -31.4 | 174.8 | -65.6 | 155.5 | -157.2 | 0 | 0 | 113.1 | R268 S288 S292 R296 | R268-E290 IonicContact CZ-OE1 2.89Å; R268-E290 IonicContact NH1-OE1 2.77Å; R268-E290 PolarHBondContact NH1-OE1 3.39Å; R268-E290 IonicContact NH2-OE1 2.68Å; S288-E290 PolarHBondContact O-N 3.46Å; S288-E290 WeakPolarHBondContact OG-CB 3.33Å; S288-E290 WeakPolarHBondContact OG-CG 3.43Å; S288-E290 PolarHBondContact OG-OE1 3.43Å; S288-E290 VanDerWaalsContact OG-OE1 3.1Å; S288-E290 PolarHBondContact OG-OE2 2.9Å; E290-S292 PolarHBondContact O-N 3.5Å; E290-R296 PolarHBondContact O-NE 3.33Å; E290-R296 PolarHBondContact O-NH2 2.93Å |
| 291 | A | 57.3 | Low | 57.6 | Low | 87 Ų | 87 | 72.4 Ų | 72.4 | 72% | 0.719 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -76.6 | -18.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S288 W289 | S288-A291 PolarHBondContact O-N 3.03Å; W289-A291 PolarHBondContact O-N 2.95Å |
| 292 | S | 67.4 | Low | 59.4 | Low | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | trans | -98.7 | 121.4 | -176.1 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | W289 E290 Q294 L295 R296 | W289-S292 PolarHBondContact O-N 2.88Å; E290-S292 PolarHBondContact O-N 3.5Å; S292-Q294 PolarHBondContact O-N 2.67Å; S292-L295 PolarHBondContact O-N 2.83Å; S292-R296 PolarHBondContact O-N 3.31Å; S292-R296 VanDerWaalsContact O-N 3.17Å | ||
| 293 | P | 65.9 | Low | 61.2 | Low | 75 Ų | 75 | 61.6 Ų | 61.6 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.2 | -15.5 | 179.4 | 28.8 | -35.2 | 0 | 0 | 0 | 113.7 | R297 | P293-R297 PolarHBondContact O-NE 2.96Å; P293-R297 VanDerWaalsContact O-NE 3.09Å |
| 294 | Q | 68.9 | Low | 62.8 | Low | 144 Ų | 144 | 56.3 Ų | 56.3 | 67% | 0.673 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -81.4 | -44.2 | 174.6 | -70.9 | 177.4 | -18.5 | 0 | 0 | 111.4 | S292 R297 A298 | S292-Q294 PolarHBondContact O-N 2.67Å; Q294-R297 PolarHBondContact O-N 3.47Å; Q294-A298 PolarHBondContact O-N 3.43Å |
| 295 | L | 69.3 | Low | 64.6 | Low | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.141 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 177.6 | -72.1 | 164.7 | 0 | 0 | 0 | 111.4 | L220 K221 C224 W289 S292 R297 A298 A299 | L220-L295 HydrophobicContact CD2-CB 4.41Å; L220-L295 HydrophobicContact CG-CD2 4.01Å; K221-L295 HydrophobicContact CB-CD2 4.3Å; C224-L295 HydrophobicContact CB-CD2 4.02Å; C224-L295 VanDerWaalsContact SG-CD2 3.51Å; W289-L295 HydrophobicContact CB-CB 4.43Å; W289-L295 HydrophobicContact CB-CD1 4.09Å; S292-L295 PolarHBondContact O-N 2.83Å; L295-R297 PolarHBondContact O-N 3.38Å; L295-A298 PolarHBondContact O-N 2.97Å; L295-A299 PolarHBondContact O-N 3.08Å; L295-A299 VanDerWaalsContact O-N 3.07Å |
| 296 | R | 71.8 | Confident | 66.4 | Low | 56 Ų | 56 | 49.8 Ų | 49.8 | 21% | 0.211 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175 | -93.1 | -169.4 | -82.6 | 142.4 | -4.3 | 113.5 | W289 E290 S292 A299 | W289-R296 HydrophobicContact CE3-CG 4.36Å; W289-R296 HydrophobicContact CZ3-CG 3.93Å; E290-R296 PolarHBondContact O-NE 3.33Å; E290-R296 PolarHBondContact O-NH2 2.93Å; S292-R296 PolarHBondContact O-N 3.31Å; S292-R296 VanDerWaalsContact O-N 3.17Å; R296-A299 WeakPolarHBondContact O-CB 3.26Å; R296-A299 PolarHBondContact O-N 3.19Å |
| 297 | R | 68.9 | Low | 67.7 | Low | 167 Ų | 167 | 45.7 Ų | 45.7 | 63% | 0.63 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.2 | -39 | 176.2 | -84.3 | -177.5 | -88.2 | 171.3 | -13.2 | 112.4 | P293 Q294 L295 A299 P301 | P293-R297 PolarHBondContact O-NE 2.96Å; P293-R297 VanDerWaalsContact O-NE 3.09Å; Q294-R297 PolarHBondContact O-N 3.47Å; L295-R297 PolarHBondContact O-N 3.38Å; R297-A299 VanDerWaalsContact C-N 3.31Å; R297-A299 PolarHBondContact O-N 3.01Å; R297-P301 WeakPolarHBondContact O-CD 3.44Å |
| 298 | A | 69.7 | Low | 68.6 | Low | 18 Ų | 18 | 43.4 Ų | 43.4 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -79.6 | -9.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L220 F223 C224 Q294 L295 P301 F302 | L220-A298 HydrophobicContact CD1-CB 4.12Å; F223-A298 HydrophobicContact CD1-CB 4.41Å; C224-A298 WeakPolarHBondContact SG-CB 3.4Å; Q294-A298 PolarHBondContact O-N 3.43Å; L295-A298 PolarHBondContact O-N 2.97Å; A298-P301 WeakPolarHBondContact O-CD 3.36Å; A298-F302 WeakPolarHBondContact O-CB 3.49Å; A298-F302 PolarHBondContact O-N 3.45Å |
| 299 | A | 73.6 | Confident | 69.1 | Low | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L220 W289 L295 R296 R297 F302 L303 | L220-A299 HydrophobicContact CD1-CB 4.38Å; L220-A299 HydrophobicContact CD2-CB 4.08Å; W289-A299 HydrophobicContact CZ3-CB 4.32Å; L295-A299 PolarHBondContact O-N 3.08Å; L295-A299 VanDerWaalsContact O-N 3.07Å; R296-A299 WeakPolarHBondContact O-CB 3.26Å; R296-A299 PolarHBondContact O-N 3.19Å; R297-A299 VanDerWaalsContact C-N 3.31Å; R297-A299 PolarHBondContact O-N 3.01Å; A299-F302 PolarHBondContact O-N 3.19Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 WeakPolarHBondContact O-CG 3.4Å; A299-L303 PolarHBondContact O-N 3.47Å |
| 300 | V | 71.1 | Confident | 69.2 | Low | 11 Ų | 11 | 44.6 Ų | 44.6 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -50.7 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | F270 S273 F302 L303 L304 M333 | F270-V300 HydrophobicContact CD2-CG2 4.22Å; F270-V300 HydrophobicContact CE2-CG1 4.4Å; F270-V300 HydrophobicContact CE2-CG2 4.17Å; S273-V300 WeakPolarHBondContact OG-CG2 3.46Å; V300-F302 VanDerWaalsContact C-N 3.29Å; V300-F302 PolarHBondContact O-N 2.61Å; V300-L303 PolarHBondContact O-N 3.46Å; V300-L304 HydrophobicContact CG1-CD1 4.02Å; V300-L304 HydrophobicContact CG1-CG 4.43Å; V300-L304 VanDerWaalsContact O-CG 3.31Å; V300-L304 WeakPolarHBondContact O-CG 3.4Å; V300-L304 PolarHBondContact O-N 2.58Å; V300-M333 HydrophobicContact CG1-SD 4.25Å |
| 301 | P | 69.1 | Low | 69.3 | Low | 33 Ų | 33 | 46.5 Ų | 46.5 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.9 | -40.2 | 173.4 | -27.8 | 34.5 | 0 | 0 | 0 | 114 | F223 R297 A298 L304 Q305 M333 | F223-P301 HydrophobicContact CE1-CB 4.27Å; F223-P301 HydrophobicContact CZ-CB 4.46Å; R297-P301 WeakPolarHBondContact O-CD 3.44Å; A298-P301 WeakPolarHBondContact O-CD 3.36Å; P301-L304 PolarHBondContact O-N 3.39Å; P301-Q305 WeakPolarHBondContact O-CB 3.31Å; P301-Q305 PolarHBondContact O-N 3.07Å; P301-M333 HydrophobicContact CG-SD 4.45Å |
| 302 | F | 75.1 | Confident | 69.6 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 176.9 | 170.5 | -109.1 | 0 | 0 | 0 | 112.3 | L216 G219 L220 F223 I244 A298 A299 V300 L304 Q305 L306 | L216-F302 HydrophobicContact CD2-CE1 4.21Å; G219-F302 VanDerWaalsContact C-CZ 3.48Å; G219-F302 WeakPolarHBondContact O-CE2 3.42Å; L220-F302 HydrophobicContact CB-CD1 3.98Å; L220-F302 HydrophobicContact CB-CE1 3.96Å; L220-F302 HydrophobicContact CB-CG 4.4Å; L220-F302 HydrophobicContact CB-CZ 4.36Å; L220-F302 HydrophobicContact CD1-CB 3.75Å; L220-F302 HydrophobicContact CD1-CD1 3.96Å; L220-F302 HydrophobicContact CD1-CG 3.9Å; F223-F302 HydrophobicContact CB-CD2 3.7Å; F223-F302 HydrophobicContact CB-CE2 4.23Å; F223-F302 HydrophobicContact CD1-CB 3.83Å; F223-F302 HydrophobicContact CD1-CD2 4.26Å; F223-F302 HydrophobicContact CD1-CG 4.48Å; F223-F302 HydrophobicContact CD2-CD2 4.14Å; F223-F302 HydrophobicContact CE1-CB 4.07Å; F223-F302 HydrophobicContact CG-CB 4.23Å; F223-F302 AromaticContact CG-CD2 3.78Å; F223-F302 HydrophobicContact CG-CD2 3.78Å; F223-F302 HydrophobicContact CG-CG 4.44Å; I244-F302 HydrophobicContact CD1-CD2 3.99Å; I244-F302 HydrophobicContact CD1-CE2 3.5Å; A298-F302 WeakPolarHBondContact O-CB 3.49Å; A298-F302 PolarHBondContact O-N 3.45Å; A299-F302 PolarHBondContact O-N 3.19Å; V300-F302 VanDerWaalsContact C-N 3.29Å; V300-F302 PolarHBondContact O-N 2.61Å; F302-L304 VanDerWaalsContact C-N 3.34Å; F302-L304 PolarHBondContact O-N 3.49Å; F302-Q305 PolarHBondContact O-N 3.25Å; F302-L306 HydrophobicContact CD1-CD1 4.14Å; F302-L306 HydrophobicContact CE1-CD1 3.6Å; F302-L306 HydrophobicContact CE2-CD1 4.13Å; F302-L306 HydrophobicContact CE2-CD2 4.48Å; F302-L306 HydrophobicContact CE2-CG 4.27Å; F302-L306 HydrophobicContact CZ-CD1 3.6Å; F302-L306 HydrophobicContact CZ-CG 4.24Å; F302-L306 WeakPolarHBondContact O-CG 3.47Å; F302-L306 PolarHBondContact O-N 3.17Å |
| 303 | L | 75.3 | Confident | 69.4 | Low | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 178.4 | -69.2 | 170.3 | 0 | 0 | 0 | 112 | L266 M269 F270 A299 V300 L306 A307 | L266-L303 HydrophobicContact CD2-CD2 3.4Å; L266-L303 VanDerWaalsContact CD2-CD2 3.4Å; M269-L303 HydrophobicContact CB-CD1 4.46Å; M269-L303 HydrophobicContact CG-CD1 4.22Å; M269-L303 HydrophobicContact SD-CD2 4.06Å; F270-L303 HydrophobicContact CB-CD1 4.12Å; F270-L303 HydrophobicContact CD2-CD1 4.35Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 WeakPolarHBondContact O-CG 3.4Å; A299-L303 PolarHBondContact O-N 3.47Å; V300-L303 PolarHBondContact O-N 3.46Å; L303-L306 PolarHBondContact O-N 3.48Å; L303-A307 WeakPolarHBondContact O-CB 3.34Å; L303-A307 PolarHBondContact O-N 3.35Å |
| 304 | L | 69.4 | Low | 69.3 | Low | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -38.6 | 176.3 | -66 | 170.9 | 0 | 0 | 0 | 112.1 | V300 P301 F302 A307 A308 L321 M333 L336 L340 | V300-L304 HydrophobicContact CG1-CD1 4.02Å; V300-L304 HydrophobicContact CG1-CG 4.43Å; V300-L304 VanDerWaalsContact O-CG 3.31Å; V300-L304 WeakPolarHBondContact O-CG 3.4Å; V300-L304 PolarHBondContact O-N 2.58Å; P301-L304 PolarHBondContact O-N 3.39Å; F302-L304 VanDerWaalsContact C-N 3.34Å; F302-L304 PolarHBondContact O-N 3.49Å; L304-A307 PolarHBondContact O-N 2.99Å; L304-A308 WeakPolarHBondContact O-CB 3.47Å; L304-A308 PolarHBondContact O-N 3.23Å; L304-L321 HydrophobicContact CD2-CD1 3.46Å; L304-L321 VanDerWaalsContact CD2-CD1 3.46Å; L304-L321 HydrophobicContact CD2-CD2 3.76Å; L304-L321 HydrophobicContact CD2-CG 4.2Å; L304-M333 HydrophobicContact CD1-CG 4.33Å; L304-M333 HydrophobicContact CD1-SD 3.48Å; L304-M333 WeakPolarHBondContact CD1-SD 3.46Å; L304-L336 HydrophobicContact CB-CD2 3.43Å; L304-L336 VanDerWaalsContact CB-CD2 3.43Å; L304-L336 HydrophobicContact CB-CG 4.33Å; L304-L336 HydrophobicContact CD1-CD2 4.39Å; L304-L336 HydrophobicContact CG-CD2 4.5Å; L304-L340 HydrophobicContact CB-CD1 4.33Å; L304-L340 HydrophobicContact CD2-CD1 3.55Å |
| 305 | Q | 72.6 | Confident | 68.9 | Low | 72 Ų | 72 | 38.2 Ų | 38.2 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.3 | -174.2 | 64.3 | 20.4 | 0 | 0 | 111.3 | P301 F302 A307 A308 M309 | P301-Q305 WeakPolarHBondContact O-CB 3.31Å; P301-Q305 PolarHBondContact O-N 3.07Å; F302-Q305 PolarHBondContact O-N 3.25Å; Q305-A307 VanDerWaalsContact C-N 3.34Å; Q305-A307 PolarHBondContact O-N 3.07Å; Q305-A308 PolarHBondContact O-N 3.44Å; Q305-M309 HydrophobicContact CG-SD 4.09Å; Q305-M309 WeakPolarHBondContact O-CB 3.39Å; Q305-M309 VanDerWaalsContact O-CG 3.27Å; Q305-M309 WeakPolarHBondContact O-CG 3.24Å; Q305-M309 PolarHBondContact O-N 3.22Å |
| 306 | L | 73.2 | Confident | 68.3 | Low | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 173.6 | -71.9 | 176.7 | 0 | 0 | 0 | 111.9 | L216 I244 V247 V248 F302 L303 A308 M309 S310 L313 | L216-L306 HydrophobicContact CD2-CD1 3.71Å; I244-L306 HydrophobicContact CD1-CD2 3.6Å; I244-L306 HydrophobicContact CD1-CG 4.29Å; I244-L306 HydrophobicContact CG1-CD2 4.24Å; V247-L306 HydrophobicContact CG1-CD2 3.89Å; V248-L306 HydrophobicContact CG2-CD2 3.6Å; F302-L306 HydrophobicContact CD1-CD1 4.14Å; F302-L306 HydrophobicContact CE1-CD1 3.6Å; F302-L306 HydrophobicContact CE2-CD1 4.13Å; F302-L306 HydrophobicContact CE2-CD2 4.48Å; F302-L306 HydrophobicContact CE2-CG 4.27Å; F302-L306 HydrophobicContact CZ-CD1 3.6Å; F302-L306 HydrophobicContact CZ-CG 4.24Å; F302-L306 WeakPolarHBondContact O-CG 3.47Å; F302-L306 PolarHBondContact O-N 3.17Å; L303-L306 PolarHBondContact O-N 3.48Å; L306-A308 VanDerWaalsContact C-N 3.33Å; L306-A308 PolarHBondContact O-N 2.88Å; L306-M309 PolarHBondContact O-N 3.44Å; L306-S310 PolarHBondContact O-N 3.18Å; L306-L313 HydrophobicContact CB-CD1 4.47Å |
| 307 | A | 69.6 | Low | 67.6 | Low | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -35.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L303 L304 Q305 F314 V317 L340 | L303-A307 WeakPolarHBondContact O-CB 3.34Å; L303-A307 PolarHBondContact O-N 3.35Å; L304-A307 PolarHBondContact O-N 2.99Å; Q305-A307 VanDerWaalsContact C-N 3.34Å; Q305-A307 PolarHBondContact O-N 3.07Å; A307-F314 HydrophobicContact CB-CD2 4.27Å; A307-V317 HydrophobicContact CB-CB 4.23Å; A307-V317 HydrophobicContact CB-CG1 4.3Å; A307-V317 HydrophobicContact CB-CG2 4.35Å; A307-L340 HydrophobicContact CB-CD2 3.92Å |
| 308 | A | 65.6 | Low | 66.8 | Low | 32 Ų | 32 | 28.8 Ų | 28.8 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -73.3 | -29.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L304 Q305 L306 L336 L340 | L304-A308 WeakPolarHBondContact O-CB 3.47Å; L304-A308 PolarHBondContact O-N 3.23Å; Q305-A308 PolarHBondContact O-N 3.44Å; L306-A308 VanDerWaalsContact C-N 3.33Å; L306-A308 PolarHBondContact O-N 2.88Å; A308-L336 HydrophobicContact CB-CD1 3.65Å; A308-L340 HydrophobicContact CB-CD2 4.24Å |
| 309 | M | 67.9 | Low | 66 | Low | 80 Ų | 80 | 30.7 Ų | 30.7 | 39% | 0.394 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -86.9 | -13.6 | -177.9 | -68.8 | -176.1 | 70.4 | 0 | 0 | 114 | I244 V248 Q305 L306 | I244-M309 HydrophobicContact CG1-SD 4.01Å; I244-M309 HydrophobicContact CG2-CE 4.02Å; I244-M309 HydrophobicContact CG2-SD 3.99Å; V248-M309 HydrophobicContact CG1-CB 4.34Å; V248-M309 HydrophobicContact CG2-CB 3.9Å; V248-M309 HydrophobicContact CG2-SD 4.46Å; Q305-M309 HydrophobicContact CG-SD 4.09Å; Q305-M309 WeakPolarHBondContact O-CB 3.39Å; Q305-M309 VanDerWaalsContact O-CG 3.27Å; Q305-M309 WeakPolarHBondContact O-CG 3.24Å; Q305-M309 PolarHBondContact O-N 3.22Å; L306-M309 PolarHBondContact O-N 3.44Å |
| 310 | S | 68.8 | Low | 65 | Low | 11 Ų | 11 | 34 Ų | 34 | 8% | 0.077 | 21% | 0.207 | C | C | . | . | trans | -146.3 | 121.8 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 113.7 | L306 N312 L313 F314 | L306-S310 PolarHBondContact O-N 3.18Å; S310-N312 PolarHBondContact O-N 3.23Å; S310-N312 PolarHBondContact OG-N 3.37Å; S310-L313 PolarHBondContact O-N 3Å; S310-L313 VanDerWaalsContact O-N 3.13Å; S310-F314 PolarHBondContact O-N 2.82Å | ||
| 311 | P | 63.8 | Low | 64.1 | Low | 111 Ų | 111 | 34.9 Ų | 34.9 | 72% | 0.721 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.9 | -26.8 | 178.3 | 25.8 | -33.1 | 0 | 0 | 0 | 113 | L313 F314 | P311-L313 VanDerWaalsContact C-N 3.31Å; P311-L313 PolarHBondContact O-N 3.15Å; P311-F314 WeakPolarHBondContact O-CB 3.5Å; P311-F314 PolarHBondContact O-N 3.48Å |
| 312 | N | 63.9 | Low | 63.2 | Low | 106 Ų | 106 | 35.7 Ų | 35.7 | 57% | 0.567 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -69.2 | -31.2 | 176.7 | -68.2 | -9.3 | 0 | 0 | 0 | 112 | A255 S310 | A255-N312 HydrophobicContact CB-CB 4.13Å; S310-N312 PolarHBondContact O-N 3.23Å; S310-N312 PolarHBondContact OG-N 3.37Å |
| 313 | L | 65 | Low | 61.6 | Low | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -84.9 | -32.5 | 177.2 | -58.8 | 179.6 | 0 | 0 | 0 | 111.4 | L251 I262 L306 S310 P311 G315 A316 V317 | L251-L313 HydrophobicContact CB-CD1 4.06Å; L251-L313 HydrophobicContact CB-CD2 3.93Å; L251-L313 HydrophobicContact CD1-CD1 4.28Å; I262-L313 HydrophobicContact CG2-CD2 4.03Å; L306-L313 HydrophobicContact CB-CD1 4.47Å; S310-L313 PolarHBondContact O-N 3Å; S310-L313 VanDerWaalsContact O-N 3.13Å; P311-L313 VanDerWaalsContact C-N 3.31Å; P311-L313 PolarHBondContact O-N 3.15Å; L313-G315 PolarHBondContact O-N 3Å; L313-A316 WeakPolarHBondContact O-CB 3.32Å; L313-A316 PolarHBondContact O-N 3.21Å; L313-A316 VanDerWaalsContact O-N 3.1Å; L313-V317 PolarHBondContact O-N 3.1Å |
| 314 | F | 63.2 | Low | 60.6 | Low | 16 Ų | 16 | 44.2 Ų | 44.2 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52 | -50 | 176.7 | -179 | -92.3 | 0 | 0 | 0 | 113 | A307 S310 P311 A316 V317 S318 L340 S344 | A307-F314 HydrophobicContact CB-CD2 4.27Å; S310-F314 PolarHBondContact O-N 2.82Å; P311-F314 WeakPolarHBondContact O-CB 3.5Å; P311-F314 PolarHBondContact O-N 3.48Å; F314-A316 PolarHBondContact O-N 3.02Å; F314-A316 VanDerWaalsContact O-N 3.13Å; F314-V317 PolarHBondContact O-N 2.92Å; F314-S318 VanDerWaalsContact CZ-CB 3.49Å; F314-S318 WeakPolarHBondContact O-CB 3.2Å; F314-S318 PolarHBondContact O-N 2.72Å; F314-S318 PolarHBondContact O-OG 3.3Å; F314-L340 HydrophobicContact CD2-CD2 3.38Å; F314-L340 HydrophobicContact CD2-CG 4.5Å; F314-L340 HydrophobicContact CE2-CB 3.65Å; F314-L340 HydrophobicContact CE2-CD2 3.38Å; F314-L340 HydrophobicContact CE2-CG 4.05Å; F314-L340 VanDerWaalsContact CE2-O 3.31Å; F314-L340 WeakPolarHBondContact CE2-O 3.34Å; F314-L340 HydrophobicContact CZ-CB 4.45Å; F314-L340 WeakPolarHBondContact CZ-O 3.45Å; F314-S344 VanDerWaalsContact CE1-CA 3.42Å; F314-S344 WeakPolarHBondContact CE1-OG 3.44Å |
| 315 | G | 59.3 | Low | 59.8 | Low | 41 Ų | 41 | 47.5 Ų | 47.5 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -18.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L313 | L313-G315 PolarHBondContact O-N 3Å |
| 316 | A | 58.3 | Low | 58.7 | Low | 13 Ų | 13 | 47.1 Ų | 47.1 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -85.2 | -21.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | R263 L266 L313 F314 | R263-A316 HydrophobicContact CB-CB 4.13Å; R263-A316 HydrophobicContact CG-CB 4.15Å; L266-A316 HydrophobicContact CD1-CB 4.16Å; L313-A316 WeakPolarHBondContact O-CB 3.32Å; L313-A316 PolarHBondContact O-N 3.21Å; L313-A316 VanDerWaalsContact O-N 3.1Å; F314-A316 PolarHBondContact O-N 3.02Å; F314-A316 VanDerWaalsContact O-N 3.13Å |
| 317 | V | 56.6 | Low | 57.5 | Low | 20 Ų | 20 | 55.8 Ų | 55.8 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -101.3 | -29.7 | -176.3 | 179 | 0 | 0 | 0 | 0 | 111.6 | L266 A307 L313 F314 S319 E320 L321 | L266-V317 HydrophobicContact CD1-CG2 3.85Å; A307-V317 HydrophobicContact CB-CB 4.23Å; A307-V317 HydrophobicContact CB-CG1 4.3Å; A307-V317 HydrophobicContact CB-CG2 4.35Å; L313-V317 PolarHBondContact O-N 3.1Å; F314-V317 PolarHBondContact O-N 2.92Å; V317-S319 PolarHBondContact O-N 2.92Å; V317-E320 PolarHBondContact O-N 2.98Å; V317-L321 HydrophobicContact CG1-CD1 3.48Å; V317-L321 VanDerWaalsContact CG1-CD1 3.48Å; V317-L321 PolarHBondContact O-N 2.95Å |
| 318 | S | 52.8 | Low | 56.4 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -31.6 | -170.5 | 70.4 | 0 | 0 | 0 | 0 | 115.3 | F314 E320 | F314-S318 VanDerWaalsContact CZ-CB 3.49Å; F314-S318 WeakPolarHBondContact O-CB 3.2Å; F314-S318 PolarHBondContact O-N 2.72Å; F314-S318 PolarHBondContact O-OG 3.3Å; S318-E320 VanDerWaalsContact C-N 3.25Å; S318-E320 PolarHBondContact O-N 3.33Å |
| 319 | S | 52.3 | Low | 55.7 | Low | 58 Ų | 58 | 66.2 Ų | 66.2 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -26.1 | -178.3 | 65.1 | 0 | 0 | 0 | 0 | 113 | V317 | V317-S319 PolarHBondContact O-N 2.92Š|
| 320 | E | 52 | Low | 54.9 | Low | 69 Ų | 69 | 64.6 Ų | 64.6 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -21.3 | -169.9 | -55.2 | -54.7 | 134.9 | 0 | 0 | 113.2 | L267 V317 S318 V322 Q323 | L267-E320 HydrophobicContact CD1-CB 4.31Å; L267-E320 HydrophobicContact CD1-CG 3.98Å; V317-E320 PolarHBondContact O-N 2.98Å; S318-E320 VanDerWaalsContact C-N 3.25Å; S318-E320 PolarHBondContact O-N 3.33Å; E320-V322 PolarHBondContact O-N 3.03Å; E320-Q323 PolarHBondContact O-N 3.07Å |
| 321 | L | 53.3 | Low | 54 | Low | 30 Ų | 30 | 69.9 Ų | 69.9 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -57.7 | -21.8 | 171.7 | -129.3 | 106.5 | 0 | 0 | 0 | 112.7 | L304 V317 Q323 L325 | L304-L321 HydrophobicContact CD2-CD1 3.46Å; L304-L321 VanDerWaalsContact CD2-CD1 3.46Å; L304-L321 HydrophobicContact CD2-CD2 3.76Å; L304-L321 HydrophobicContact CD2-CG 4.2Å; V317-L321 HydrophobicContact CG1-CD1 3.48Å; V317-L321 VanDerWaalsContact CG1-CD1 3.48Å; V317-L321 PolarHBondContact O-N 2.95Å; L321-Q323 PolarHBondContact O-N 3.06Å; L321-L325 HydrophobicContact CD2-CD1 4.25Å; L321-L325 HydrophobicContact CD2-CD2 4.35Å; L321-L325 HydrophobicContact CD2-CG 4.47Å |
| 322 | V | 49.4 | Very low | 53.6 | Low | 50 Ų | 50 | 72.1 Ų | 72.1 | 30% | 0.303 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -64.6 | -20.7 | 176.5 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | E320 V351 | E320-V322 PolarHBondContact O-N 3.03Å; V322-V351 HydrophobicContact CG2-CG2 3.76Å |
| 323 | Q | 42.4 | Very low | 53.5 | Low | 160 Ų | 160 | 67.7 Ų | 67.7 | 75% | 0.748 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -105.3 | -6.2 | -170.3 | -63.8 | -168.7 | 14.3 | 0 | 0 | 116.2 | E320 L321 | E320-Q323 PolarHBondContact O-N 3.07Å; L321-Q323 PolarHBondContact O-N 3.06Å |
| 324 | G | 52.7 | Low | 53.5 | Low | 24 Ų | 24 | 68.1 Ų | 68.1 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | trans | -171.1 | 71.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | F270 P326 | F270-G324 WeakPolarHBondContact CZ-O 3.47Å; G324-P326 WeakPolarHBondContact O-CD 3.26Å | ||
| 325 | L | 52.8 | Low | 53.6 | Low | 73 Ų | 73 | 69.7 Ų | 69.7 | 38% | 0.382 | 38% | 0.383 | S | S | . | . | trans | -91.1 | 112.9 | 165.9 | -80.5 | 154.8 | 0 | 0 | 0 | 110.4 | L321 M333 | L321-L325 HydrophobicContact CD2-CD1 4.25Å; L321-L325 HydrophobicContact CD2-CD2 4.35Å; L321-L325 HydrophobicContact CD2-CG 4.47Å; L325-M333 HydrophobicContact CD2-CE 4.3Å | ||
| 326 | P | 50.5 | Low | 53.9 | Low | 65 Ų | 65 | 69.8 Ų | 69.8 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | trans | -77.7 | 162.1 | 176.3 | 29.5 | -33.3 | 0 | 0 | 0 | 113.9 | L274 G324 E328 | L274-P326 HydrophobicContact CD2-CB 4.5Å; L274-P326 HydrophobicContact CD2-CG 3.71Å; G324-P326 WeakPolarHBondContact O-CD 3.26Å; P326-E328 PolarHBondContact O-N 2.87Å | ||
| 327 | R | 48 | Very low | 54.4 | Low | 186 Ų | 186 | 69.5 Ų | 69.5 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -6.9 | -154.8 | -168.1 | 172.8 | 172.5 | -179.9 | -3.8 | 117.2 | ||
| 328 | E | 46.2 | Very low | 55.2 | Low | 190 Ų | 190 | 68.8 Ų | 68.8 | 89% | 0.888 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -10.6 | -165.1 | -67 | -173.3 | 170.2 | 0 | 0 | 116 | P326 | P326-E328 PolarHBondContact O-N 2.87Š|
| 329 | E | 51.4 | Low | 56.2 | Low | 65 Ų | 65 | 71.2 Ų | 71.2 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -115.9 | 4 | -177.7 | -70 | -178.7 | 173.9 | 0 | 0 | 113.7 | D331 N332 M333 | E329-D331 PolarHBondContact O-N 3.39Å; E329-N332 PolarHBondContact O-N 2.9Å; E329-M333 HydrophobicContact CB-CE 3.32Å; E329-M333 HydrophobicContact CB-CG 4.34Å; E329-M333 HydrophobicContact CB-SD 4.03Å; E329-M333 WeakPolarHBondContact O-CB 3.42Å; E329-M333 WeakPolarHBondContact O-CG 3.3Å; E329-M333 PolarHBondContact O-N 3.31Å; E329-M333 VanDerWaalsContact O-N 3.13Å |
| 330 | L | 51.1 | Low | 57 | Low | 46 Ų | 46 | 68.8 Ų | 68.8 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57 | -46.8 | -171.9 | -162 | 69.7 | 0 | 0 | 0 | 111.5 | N332 M333 L334 G380 | L330-N332 VanDerWaalsContact C-N 3.29Å; L330-N332 PolarHBondContact O-N 3.12Å; L330-M333 CarbonylContact O-C 3.54Å; L330-M333 PolarHBondContact O-N 3.13Å; L330-L334 HydrophobicContact CD1-CD2 4.27Å; L330-L334 HydrophobicContact CD2-CD2 4.39Å; L330-L334 HydrophobicContact CG-CD2 3.95Å; L330-L334 HydrophobicContact CG-CG 4.05Å; L330-L334 WeakPolarHBondContact O-CG 3.25Å; L330-L334 PolarHBondContact O-N 2.97Å; L330-G380 VanDerWaalsContact CD2-CA 3.46Å |
| 331 | D | 49.7 | Very low | 58 | Low | 121 Ų | 121 | 66.7 Ų | 66.7 | 65% | 0.647 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.7 | -32.4 | -175.8 | -76.9 | -27.5 | 0 | 0 | 0 | 114.4 | E329 | E329-D331 PolarHBondContact O-N 3.39Å |
| 332 | N | 54.3 | Low | 59.2 | Low | 158 Ų | 158 | 65.3 Ų | 65.3 | 85% | 0.845 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -85.9 | -22.6 | 175.8 | -69 | -25.1 | 0 | 0 | 0 | 112.8 | E329 L330 | E329-N332 PolarHBondContact O-N 2.9Å; L330-N332 VanDerWaalsContact C-N 3.29Å; L330-N332 PolarHBondContact O-N 3.12Å |
| 333 | M | 61.7 | Low | 60.4 | Low | 13 Ų | 13 | 66.6 Ų | 66.6 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -100 | -11.2 | -177.3 | -64.1 | -168.6 | -56 | 0 | 0 | 114.2 | V300 P301 L304 L325 E329 L330 G335 L336 A337 | V300-M333 HydrophobicContact CG1-SD 4.25Å; P301-M333 HydrophobicContact CG-SD 4.45Å; L304-M333 HydrophobicContact CD1-CG 4.33Å; L304-M333 HydrophobicContact CD1-SD 3.48Å; L304-M333 WeakPolarHBondContact CD1-SD 3.46Å; L325-M333 HydrophobicContact CD2-CE 4.3Å; E329-M333 HydrophobicContact CB-CE 3.32Å; E329-M333 HydrophobicContact CB-CG 4.34Å; E329-M333 HydrophobicContact CB-SD 4.03Å; E329-M333 WeakPolarHBondContact O-CB 3.42Å; E329-M333 WeakPolarHBondContact O-CG 3.3Å; E329-M333 PolarHBondContact O-N 3.31Å; E329-M333 VanDerWaalsContact O-N 3.13Å; L330-M333 CarbonylContact O-C 3.54Å; L330-M333 PolarHBondContact O-N 3.13Å; M333-G335 VanDerWaalsContact C-N 3.3Å; M333-G335 PolarHBondContact O-N 2.93Å; M333-L336 PolarHBondContact O-N 3.45Å; M333-L336 VanDerWaalsContact O-N 3.12Å; M333-A337 WeakPolarHBondContact O-CB 3.2Å; M333-A337 PolarHBondContact O-N 3.28Å |
| 334 | L | 65.4 | Low | 61.8 | Low | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.8 | -44 | -179.2 | -85.1 | 171.1 | 0 | 0 | 0 | 112 | L330 L336 A337 V338 R383 L384 | L330-L334 HydrophobicContact CD1-CD2 4.27Å; L330-L334 HydrophobicContact CD2-CD2 4.39Å; L330-L334 HydrophobicContact CG-CD2 3.95Å; L330-L334 HydrophobicContact CG-CG 4.05Å; L330-L334 WeakPolarHBondContact O-CG 3.25Å; L330-L334 PolarHBondContact O-N 2.97Å; L334-L336 PolarHBondContact O-N 3.44Å; L334-A337 PolarHBondContact O-N 2.98Å; L334-V338 WeakPolarHBondContact O-CB 3.32Å; L334-V338 WeakPolarHBondContact O-CG2 3.29Å; L334-V338 PolarHBondContact O-N 3.32Å; L334-R383 HydrophobicContact CD1-CG 4.21Å; L334-L384 HydrophobicContact CD2-CB 3.96Å; L334-L384 HydrophobicContact CD2-CD1 3.51Å; L334-L384 HydrophobicContact CD2-CG 4.35Å |
| 335 | G | 65.4 | Low | 62.4 | Low | 50 Ų | 50 | 61.8 Ų | 61.8 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | M333 H339 | M333-G335 VanDerWaalsContact C-N 3.3Å; M333-G335 PolarHBondContact O-N 2.93Å; G335-H339 PolarHBondContact O-N 2.86Å; G335-H339 VanDerWaalsContact O-N 3.1Å |
| 336 | L | 66.1 | Low | 63.1 | Low | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.9 | -44 | 178.3 | -165.2 | 64.1 | 0 | 0 | 0 | 110.9 | L304 A308 M333 L334 V338 H339 L340 | L304-L336 HydrophobicContact CB-CD2 3.43Å; L304-L336 VanDerWaalsContact CB-CD2 3.43Å; L304-L336 HydrophobicContact CB-CG 4.33Å; L304-L336 HydrophobicContact CD1-CD2 4.39Å; L304-L336 HydrophobicContact CG-CD2 4.5Å; A308-L336 HydrophobicContact CB-CD1 3.65Å; M333-L336 PolarHBondContact O-N 3.45Å; M333-L336 VanDerWaalsContact O-N 3.12Å; L334-L336 PolarHBondContact O-N 3.44Å; L336-V338 VanDerWaalsContact C-N 3.34Å; L336-V338 PolarHBondContact O-N 3.25Å; L336-H339 WeakPolarHBondContact O-CB 3.41Å; L336-H339 PolarHBondContact O-N 3.37Å; L336-L340 HydrophobicContact CG-CD1 4.11Å; L336-L340 VanDerWaalsContact O-CB 3.29Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 WeakPolarHBondContact O-CG 3.4Å; L336-L340 PolarHBondContact O-N 3.04Å |
| 337 | A | 68.8 | Low | 64 | Low | 7 Ų | 7 | 60.9 Ų | 60.9 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | M333 L334 L340 I341 L384 | M333-A337 WeakPolarHBondContact O-CB 3.2Å; M333-A337 PolarHBondContact O-N 3.28Å; L334-A337 PolarHBondContact O-N 2.98Å; A337-L340 PolarHBondContact O-N 3.47Å; A337-I341 WeakPolarHBondContact O-CB 3.26Å; A337-I341 WeakPolarHBondContact O-CD1 3.4Å; A337-I341 WeakPolarHBondContact O-CG1 3.39Å; A337-I341 PolarHBondContact O-N 2.94Å; A337-L384 HydrophobicContact CB-CD1 3.82Å |
| 338 | V | 73.6 | Confident | 65.3 | Low | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.4 | 165.7 | 0 | 0 | 0 | 0 | 111.6 | L334 L336 I341 S342 L384 M387 L388 H391 | L334-V338 WeakPolarHBondContact O-CB 3.32Å; L334-V338 WeakPolarHBondContact O-CG2 3.29Å; L334-V338 PolarHBondContact O-N 3.32Å; L336-V338 VanDerWaalsContact C-N 3.34Å; L336-V338 PolarHBondContact O-N 3.25Å; V338-I341 PolarHBondContact O-N 3.02Å; V338-S342 WeakPolarHBondContact O-CB 3.23Å; V338-S342 PolarHBondContact O-N 3.5Å; V338-S342 PolarHBondContact O-OG 3.42Å; V338-L384 HydrophobicContact CG2-CD1 4Å; V338-M387 HydrophobicContact CG2-CB 3.8Å; V338-L388 HydrophobicContact CG1-CB 4.47Å; V338-L388 HydrophobicContact CG1-CD1 4.17Å; V338-L388 HydrophobicContact CG2-CB 4.32Å; V338-H391 HydrophobicContact CG1-CB 3.38Å |
| 339 | H | 73.2 | Confident | 66.8 | Low | 71 Ų | 71 | 43.7 Ų | 43.7 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 176.2 | -177 | 62.4 | 0 | 0 | 0 | 111.1 | G335 L336 I341 S342 Q343 | G335-H339 PolarHBondContact O-N 2.86Å; G335-H339 VanDerWaalsContact O-N 3.1Å; L336-H339 WeakPolarHBondContact O-CB 3.41Å; L336-H339 PolarHBondContact O-N 3.37Å; H339-I341 PolarHBondContact O-N 2.95Å; H339-S342 PolarHBondContact O-N 3.03Å; H339-S342 VanDerWaalsContact O-N 3.14Å; H339-S342 PolarHBondContact O-OG 3.29Å; H339-Q343 WeakPolarHBondContact O-CG 3.21Å; H339-Q343 PolarHBondContact O-N 3.16Å |
| 340 | L | 68.9 | Low | 67.9 | Low | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.9 | -48.2 | 177.7 | -74.3 | 173.7 | 0 | 0 | 0 | 112 | L304 A307 A308 F314 L336 A337 S342 Q343 S344 | L304-L340 HydrophobicContact CB-CD1 4.33Å; L304-L340 HydrophobicContact CD2-CD1 3.55Å; A307-L340 HydrophobicContact CB-CD2 3.92Å; A308-L340 HydrophobicContact CB-CD2 4.24Å; F314-L340 HydrophobicContact CD2-CD2 3.38Å; F314-L340 HydrophobicContact CD2-CG 4.5Å; F314-L340 HydrophobicContact CE2-CB 3.65Å; F314-L340 HydrophobicContact CE2-CD2 3.38Å; F314-L340 HydrophobicContact CE2-CG 4.05Å; F314-L340 VanDerWaalsContact CE2-O 3.31Å; F314-L340 WeakPolarHBondContact CE2-O 3.34Å; F314-L340 HydrophobicContact CZ-CB 4.45Å; F314-L340 WeakPolarHBondContact CZ-O 3.45Å; L336-L340 HydrophobicContact CG-CD1 4.11Å; L336-L340 VanDerWaalsContact O-CB 3.29Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 WeakPolarHBondContact O-CG 3.4Å; L336-L340 PolarHBondContact O-N 3.04Å; A337-L340 PolarHBondContact O-N 3.47Å; L340-S342 VanDerWaalsContact C-N 3.33Å; L340-S342 PolarHBondContact O-N 3.04Å; L340-Q343 PolarHBondContact O-N 2.85Å; L340-S344 PolarHBondContact O-N 2.87Å; L340-S344 VanDerWaalsContact O-N 3.14Å |
| 341 | I | 73.8 | Confident | 69.1 | Low | 26 Ų | 26 | 49 Ų | 49 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 176.4 | -67.1 | 164.4 | 0 | 0 | 0 | 110.9 | A337 V338 H339 Q343 S344 V351 L355 L384 L388 F421 | A337-I341 WeakPolarHBondContact O-CB 3.26Å; A337-I341 WeakPolarHBondContact O-CD1 3.4Å; A337-I341 WeakPolarHBondContact O-CG1 3.39Å; A337-I341 PolarHBondContact O-N 2.94Å; V338-I341 PolarHBondContact O-N 3.02Å; H339-I341 PolarHBondContact O-N 2.95Å; I341-Q343 VanDerWaalsContact C-N 3.28Å; I341-Q343 PolarHBondContact O-N 3.49Å; I341-S344 WeakPolarHBondContact O-CB 3.27Å; I341-S344 PolarHBondContact O-N 2.97Å; I341-V351 HydrophobicContact CD1-CG1 4.19Å; I341-V351 HydrophobicContact CG1-CG1 4.26Å; I341-V351 HydrophobicContact CG2-CG1 4.27Å; I341-L355 HydrophobicContact CD1-CD1 4.34Å; I341-L384 HydrophobicContact CD1-CD2 3.83Å; I341-L384 HydrophobicContact CD1-CG 4.44Å; I341-L388 HydrophobicContact CB-CD1 4.29Å; I341-L388 HydrophobicContact CG2-CD1 3.94Å; I341-L388 HydrophobicContact CG2-CD2 3.81Å; I341-F421 HydrophobicContact CG2-CD2 3.94Å; I341-F421 HydrophobicContact CG2-CE2 3.81Å; I341-F421 HydrophobicContact CG2-CZ 4.46Å; I341-F421 WeakPolarHBondContact O-CD2 3.2Å |
| 342 | S | 77.7 | Confident | 70.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -29.2 | 179.9 | 77.5 | 0 | 0 | 0 | 0 | 113.9 | V338 H339 L340 H391 F421 | V338-S342 WeakPolarHBondContact O-CB 3.23Å; V338-S342 PolarHBondContact O-N 3.5Å; V338-S342 PolarHBondContact O-OG 3.42Å; H339-S342 PolarHBondContact O-N 3.03Å; H339-S342 VanDerWaalsContact O-N 3.14Å; H339-S342 PolarHBondContact O-OG 3.29Å; L340-S342 VanDerWaalsContact C-N 3.33Å; L340-S342 PolarHBondContact O-N 3.04Å; S342-H391 PolarHBondContact OG-NE2 3.05Å; S342-F421 WeakPolarHBondContact O-CB 3.33Å; S342-F421 PolarHBondContact O-N 3.12Å |
| 343 | Q | 75.4 | Confident | 71.8 | Confident | 77 Ų | 77 | 42 Ų | 42 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -92.3 | -1.8 | 179.4 | -61.7 | -56.3 | -47.8 | 0 | 0 | 112.9 | H339 L340 I341 P345 | H339-Q343 WeakPolarHBondContact O-CG 3.21Å; H339-Q343 PolarHBondContact O-N 3.16Å; L340-Q343 PolarHBondContact O-N 2.85Å; I341-Q343 VanDerWaalsContact C-N 3.28Å; I341-Q343 PolarHBondContact O-N 3.49Å; Q343-P345 WeakPolarHBondContact O-CD 3.29Å |
| 344 | S | 70.3 | Confident | 72.6 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | trans | -71.5 | 121.8 | -178.8 | -164.8 | 0 | 0 | 0 | 0 | 112.1 | F314 L340 I341 T346 P420 F421 | F314-S344 VanDerWaalsContact CE1-CA 3.42Å; F314-S344 WeakPolarHBondContact CE1-OG 3.44Å; L340-S344 PolarHBondContact O-N 2.87Å; L340-S344 VanDerWaalsContact O-N 3.14Å; I341-S344 WeakPolarHBondContact O-CB 3.27Å; I341-S344 PolarHBondContact O-N 2.97Å; S344-T346 PolarHBondContact OG-O 3Å; S344-P420 CarbonylContact O-C 3.51Å; S344-P420 WeakPolarHBondContact O-CB 3.25Å; S344-F421 PolarHBondContact O-N 3.29Å | ||
| 345 | P | 65.3 | Low | 73.3 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -80.9 | -16.9 | 179.1 | 32.6 | -34.9 | 0 | 0 | 0 | 113.6 | Q343 P420 | Q343-P345 WeakPolarHBondContact O-CD 3.29Å; P345-P420 HydrophobicContact CB-CB 4.24Å |
| 346 | T | 68.4 | Low | 74 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 59% | 0.589 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -142.3 | 150.9 | -178.8 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | S344 G348 E424 | S344-T346 PolarHBondContact OG-O 3Å; T346-G348 VanDerWaalsContact C-N 3.33Å; T346-G348 PolarHBondContact O-N 3.24Å; T346-E424 WeakPolarHBondContact CA-OE2 3.34Å |
| 347 | G | 69.7 | Low | 74.5 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 83.4 | 0.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A349 R350 V351 E424 | G347-A349 VanDerWaalsContact C-N 3.29Å; G347-A349 PolarHBondContact O-N 2.99Å; G347-R350 WeakPolarHBondContact O-CB 3.47Å; G347-R350 PolarHBondContact O-N 3.4Å; G347-V351 WeakPolarHBondContact O-CG2 3.08Å; G347-V351 PolarHBondContact O-N 3.1Å; G347-E424 WeakPolarHBondContact CA-OE1 3.3Å; G347-E424 VanDerWaalsContact N-CD 3.28Å; G347-E424 PolarHBondContact N-OE1 2.93Å; G347-E424 PolarHBondContact N-OE2 3.42Å |
| 348 | G | 75.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.3 | -39.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T346 R350 V351 L352 E424 | T346-G348 VanDerWaalsContact C-N 3.33Å; T346-G348 PolarHBondContact O-N 3.24Å; G348-R350 VanDerWaalsContact C-N 3.35Å; G348-R350 PolarHBondContact O-N 3.13Å; G348-V351 PolarHBondContact O-N 3.48Å; G348-L352 VanDerWaalsContact O-CB 3.31Å; G348-L352 WeakPolarHBondContact O-CB 3.43Å; G348-L352 PolarHBondContact O-N 3.17Å; G348-E424 WeakPolarHBondContact CA-OE2 3.3Å; G348-E424 PolarHBondContact N-OE1 2.87Å; G348-E424 PolarHBondContact N-OE2 3.45Å |
| 349 | A | 76.6 | Confident | 74.8 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -34.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G347 R353 L425 | G347-A349 VanDerWaalsContact C-N 3.29Å; G347-A349 PolarHBondContact O-N 2.99Å; A349-R353 WeakPolarHBondContact O-CB 3.38Å; A349-R353 PolarHBondContact O-N 3.4Å; A349-R353 VanDerWaalsContact O-N 3.1Å; A349-L425 HydrophobicContact CB-CD2 3.99Å |
| 350 | R | 75.6 | Confident | 74.8 | Confident | 199 Ų | 199 | 42.4 Ų | 42.4 | 75% | 0.751 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -73.3 | -42.2 | 176.9 | -61.8 | -176.4 | -166.4 | 169.9 | 4.4 | 111 | G347 G348 R353 F354 | G347-R350 WeakPolarHBondContact O-CB 3.47Å; G347-R350 PolarHBondContact O-N 3.4Å; G348-R350 VanDerWaalsContact C-N 3.35Å; G348-R350 PolarHBondContact O-N 3.13Å; R350-R353 PolarHBondContact O-N 3.39Å; R350-F354 WeakPolarHBondContact O-CB 3.38Å; R350-F354 PolarHBondContact O-N 3.27Å |
| 351 | V | 74.5 | Confident | 74.6 | Confident | 23 Ų | 23 | 44 Ų | 44 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | V322 I341 G347 G348 R353 F354 L355 | V322-V351 HydrophobicContact CG2-CG2 3.76Å; I341-V351 HydrophobicContact CD1-CG1 4.19Å; I341-V351 HydrophobicContact CG1-CG1 4.26Å; I341-V351 HydrophobicContact CG2-CG1 4.27Å; G347-V351 WeakPolarHBondContact O-CG2 3.08Å; G347-V351 PolarHBondContact O-N 3.1Å; G348-V351 PolarHBondContact O-N 3.48Å; V351-R353 VanDerWaalsContact C-N 3.32Å; V351-R353 PolarHBondContact O-N 2.91Å; V351-F354 PolarHBondContact O-N 3.44Å; V351-L355 HydrophobicContact CG1-CD1 3.82Å; V351-L355 HydrophobicContact CG1-CG 4.21Å; V351-L355 WeakPolarHBondContact O-CB 3.5Å; V351-L355 VanDerWaalsContact O-CG 3.25Å; V351-L355 WeakPolarHBondContact O-CG 3.25Å; V351-L355 PolarHBondContact O-N 3.03Å |
| 352 | L | 81.8 | Confident | 73.6 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 176.4 | 178.4 | 68.4 | 0 | 0 | 0 | 111.7 | G348 L355 A356 L385 F421 L425 L432 L447 L450 | G348-L352 VanDerWaalsContact O-CB 3.31Å; G348-L352 WeakPolarHBondContact O-CB 3.43Å; G348-L352 PolarHBondContact O-N 3.17Å; L352-L355 PolarHBondContact O-N 2.88Å; L352-A356 VanDerWaalsContact O-CB 3.27Å; L352-A356 WeakPolarHBondContact O-CB 3.47Å; L352-A356 PolarHBondContact O-N 3.42Å; L352-L385 HydrophobicContact CD1-CD2 4.05Å; L352-F421 HydrophobicContact CB-CZ 4.47Å; L352-L425 HydrophobicContact CD2-CD2 4.26Å; L352-L432 HydrophobicContact CD2-CD2 3.68Å; L352-L447 HydrophobicContact CD1-CD2 4.49Å; L352-L447 HydrophobicContact CD2-CD2 4.15Å; L352-L447 HydrophobicContact CG-CD2 4.4Å; L352-L450 HydrophobicContact CD1-CD2 3.88Å; L352-L450 HydrophobicContact CD2-CD2 3.35Å; L352-L450 HydrophobicContact CG-CD2 4.26Å |
| 353 | R | 80.3 | Confident | 72.3 | Confident | 119 Ų | 119 | 49.7 Ų | 49.7 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 177.6 | -178.6 | 175.7 | -78.4 | 120.8 | -6 | 111.4 | A349 R350 V351 L355 A356 D357 | A349-R353 WeakPolarHBondContact O-CB 3.38Å; A349-R353 PolarHBondContact O-N 3.4Å; A349-R353 VanDerWaalsContact O-N 3.1Å; R350-R353 PolarHBondContact O-N 3.39Å; V351-R353 VanDerWaalsContact C-N 3.32Å; V351-R353 PolarHBondContact O-N 2.91Å; R353-L355 PolarHBondContact O-N 3.5Å; R353-A356 PolarHBondContact O-N 3.14Å; R353-D357 WeakPolarHBondContact CG-OD2 3.09Å; R353-D357 VanDerWaalsContact O-CB 3.27Å; R353-D357 WeakPolarHBondContact O-CB 3.26Å; R353-D357 PolarHBondContact O-N 3.24Å |
| 354 | F | 78.8 | Confident | 70.9 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 41% | 0.408 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 176.3 | 171.1 | -99.9 | 0 | 0 | 0 | 112.3 | R350 V351 T358 | R350-F354 WeakPolarHBondContact O-CB 3.38Å; R350-F354 PolarHBondContact O-N 3.27Å; V351-F354 PolarHBondContact O-N 3.44Å; F354-T358 WeakPolarHBondContact O-CB 3.2Å; F354-T358 PolarHBondContact O-N 3.32Å; F354-T358 PolarHBondContact O-OG1 2.95Å |
| 355 | L | 78.4 | Confident | 69.8 | Low | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 179.2 | -68.7 | 176.2 | 0 | 0 | 0 | 111.6 | I341 V351 L352 R353 A359 C381 L384 L385 | I341-L355 HydrophobicContact CD1-CD1 4.34Å; V351-L355 HydrophobicContact CG1-CD1 3.82Å; V351-L355 HydrophobicContact CG1-CG 4.21Å; V351-L355 WeakPolarHBondContact O-CB 3.5Å; V351-L355 VanDerWaalsContact O-CG 3.25Å; V351-L355 WeakPolarHBondContact O-CG 3.25Å; V351-L355 PolarHBondContact O-N 3.03Å; L352-L355 PolarHBondContact O-N 2.88Å; R353-L355 PolarHBondContact O-N 3.5Å; L355-A359 WeakPolarHBondContact O-CB 3.1Å; L355-A359 PolarHBondContact O-N 3.19Å; L355-C381 HydrophobicContact CD2-CB 4.31Å; L355-L384 HydrophobicContact CD1-CD2 3.77Å; L355-L384 HydrophobicContact CD2-CD2 3.51Å; L355-L384 HydrophobicContact CG-CD2 4.29Å; L355-L385 HydrophobicContact CB-CD1 4Å; L355-L385 HydrophobicContact CB-CD2 3.9Å; L355-L385 HydrophobicContact CB-CG 3.85Å; L355-L385 HydrophobicContact CD1-CD2 4.23Å; L355-L385 HydrophobicContact CD1-CG 4.44Å |
| 356 | A | 79.8 | Confident | 68.5 | Low | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L352 R353 T358 T360 R443 | L352-A356 VanDerWaalsContact O-CB 3.27Å; L352-A356 WeakPolarHBondContact O-CB 3.47Å; L352-A356 PolarHBondContact O-N 3.42Å; R353-A356 PolarHBondContact O-N 3.14Å; A356-T358 VanDerWaalsContact C-N 3.34Å; A356-T360 PolarHBondContact O-N 3.22Å; A356-T360 VanDerWaalsContact O-N 3.1Å; A356-T360 PolarHBondContact O-OG1 2.96Å; A356-R443 HydrophobicContact CB-CG 4.4Å |
| 357 | D | 77.6 | Confident | 66.9 | Low | 64 Ų | 64 | 63.1 Ų | 63.1 | 34% | 0.342 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 179.1 | -68.2 | -20.8 | 0 | 0 | 0 | 111.3 | R353 T360 P361 R443 | R353-D357 WeakPolarHBondContact CG-OD2 3.09Å; R353-D357 VanDerWaalsContact O-CB 3.27Å; R353-D357 WeakPolarHBondContact O-CB 3.26Å; R353-D357 PolarHBondContact O-N 3.24Å; D357-T360 CarbonylContact O-C 3.17Å; D357-P361 VanDerWaalsContact O-CA 3.29Å; D357-P361 WeakPolarHBondContact O-CA 3.32Å; D357-R443 IonicContact OD1-CZ 3.19Å; D357-R443 VanDerWaalsContact OD1-CZ 3.25Å; D357-R443 IonicContact OD1-NH1 2.92Å; D357-R443 PolarHBondContact OD1-NH1 2.81Å; D357-R443 IonicContact OD1-NH2 2.78Å; D357-R443 PolarHBondContact OD1-NH2 2.96Å; D357-R443 VanDerWaalsContact OD1-NH2 3.1Å |
| 358 | T | 76.1 | Confident | 65.2 | Low | 20 Ų | 20 | 63.7 Ų | 63.7 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -78.7 | -40.2 | 179.1 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | F354 A356 P373 V377 R378 | F354-T358 WeakPolarHBondContact O-CB 3.2Å; F354-T358 PolarHBondContact O-N 3.32Å; F354-T358 PolarHBondContact O-OG1 2.95Å; A356-T358 VanDerWaalsContact C-N 3.34Å; T358-P373 HydrophobicContact CG2-CB 4.19Å; T358-P373 HydrophobicContact CG2-CG 4.43Å; T358-V377 HydrophobicContact CG2-CG1 3.85Å; T358-R378 WeakPolarHBondContact O-CG 3.2Å |
| 359 | A | 73.5 | Confident | 63.5 | Low | 7 Ų | 7 | 70.3 Ų | 70.3 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L355 C381 D382 L385 W446 | L355-A359 WeakPolarHBondContact O-CB 3.1Å; L355-A359 PolarHBondContact O-N 3.19Å; A359-C381 HydrophobicContact CB-CB 3.96Å; A359-D382 HydrophobicContact CB-CB 4.39Å; A359-L385 HydrophobicContact CB-CD1 4.06Å; A359-W446 HydrophobicContact CB-CH2 3.9Å; A359-W446 HydrophobicContact CB-CZ3 3.87Å |
| 360 | T | 71.6 | Confident | 61.8 | Low | 13 Ų | 13 | 75 Ų | 75 | 8% | 0.08 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -129.5 | 84.9 | 178.4 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | A356 D357 A362 R441 K442 W446 | A356-T360 PolarHBondContact O-N 3.22Å; A356-T360 VanDerWaalsContact O-N 3.1Å; A356-T360 PolarHBondContact O-OG1 2.96Å; D357-T360 CarbonylContact O-C 3.17Å; T360-A362 PolarHBondContact O-N 2.81Å; T360-R441 HydrophobicContact CG2-CB 4.45Å; T360-K442 HydrophobicContact CG2-CB 4.46Å; T360-W446 HydrophobicContact CG2-CH2 3.83Å; T360-W446 HydrophobicContact CG2-CZ3 3.94Å |
| 361 | P | 64.4 | Low | 60.5 | Low | 40 Ų | 40 | 71.2 Ų | 71.2 | 26% | 0.26 | 43% | 0.427 | S | S | . | . | trans | -64.8 | 136.6 | 177.4 | 24.1 | -31.8 | 0 | 0 | 0 | 111.1 | D357 S363 | D357-P361 VanDerWaalsContact O-CA 3.29Å; D357-P361 WeakPolarHBondContact O-CA 3.32Å; P361-S363 PolarHBondContact O-N 3.42Å | ||
| 362 | A | 53 | Low | 59.4 | Low | 64 Ų | 64 | 75.2 Ų | 75.2 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -69.7 | 95.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T360 | T360-A362 PolarHBondContact O-N 2.81Š|
| 363 | S | 51.1 | Low | 58.3 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 57% | 0.573 | 47% | 0.467 | S | S | * | . | trans | 64.6 | 144.3 | 173.3 | 75.5 | 0 | 0 | 0 | 0 | 117.4 | P361 I365 | P361-S363 PolarHBondContact O-N 3.42Å; S363-I365 PolarHBondContact O-N 3.24Å | ||
| 364 | V | 46.1 | Very low | 57.2 | Low | 133 Ų | 133 | 77.5 Ų | 77.5 | 81% | 0.806 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -80.3 | 8.2 | -171.7 | 174 | 0 | 0 | 0 | 0 | 112.7 | ||
| 365 | I | 46.4 | Very low | 56.5 | Low | 145 Ų | 145 | 80 Ų | 80 | 74% | 0.744 | 49% | 0.488 | S | S | * | . | trans | -120.2 | 83.2 | -173.7 | -48 | 175.5 | 0 | 0 | 0 | 109.8 | S363 | S363-I365 PolarHBondContact O-N 3.24Š| ||
| 366 | I | 38.9 | Very low | 55.6 | Low | 127 Ų | 127 | 81.1 Ų | 81.1 | 65% | 0.651 | 50% | 0.501 | S | S | * | . | trans | -134.9 | 100.5 | 158.9 | -56.5 | -179.1 | 0 | 0 | 0 | 108.6 | G368 | I366-G368 PolarHBondContact O-N 3.46Š| ||
| 367 | S | 35.1 | Very low | 54.9 | Low | 134 Ų | 134 | 84 Ų | 84 | 94% | 0.937 | 52% | 0.519 | S | S | * | . | trans | -69.1 | 83.3 | 155.8 | -56.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 368 | G | 34.6 | Very low | 54.5 | Low | 34 Ų | 34 | 84.8 Ų | 84.8 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -168.7 | 156.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I366 T370 | I366-G368 PolarHBondContact O-N 3.46Å; G368-T370 PolarHBondContact O-N 3.29Å |
| 369 | P | 38.5 | Very low | 54.4 | Low | 139 Ų | 139 | 89.9 Ų | 89.9 | 90% | 0.903 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -81.9 | 29.6 | -150.3 | 35.7 | -37.5 | 0 | 0 | 0 | 115.4 | ||
| 370 | T | 41.3 | Very low | 54.3 | Low | 113 Ų | 113 | 90 Ų | 90 | 69% | 0.693 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -112.4 | 112.3 | 172.2 | 51 | 0 | 0 | 0 | 0 | 109.9 | G368 S372 | G368-T370 PolarHBondContact O-N 3.29Å; T370-S372 PolarHBondContact O-N 3.05Å |
| 371 | P | 47.7 | Very low | 54.4 | Low | 121 Ų | 121 | 90 Ų | 90 | 79% | 0.786 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 137.9 | -179.3 | 24.9 | -31.9 | 0 | 0 | 0 | 110.1 | ||
| 372 | S | 51.6 | Low | 55.1 | Low | 106 Ų | 106 | 89.6 Ų | 89.6 | 74% | 0.741 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 133.1 | 171.8 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | T370 H374 | T370-S372 PolarHBondContact O-N 3.05Å; S372-H374 PolarHBondContact O-N 3.31Å |
| 373 | P | 58.5 | Low | 56.3 | Low | 45 Ų | 45 | 93.6 Ų | 93.6 | 29% | 0.292 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -59 | 135.3 | -177.8 | 20.9 | -30.2 | 0 | 0 | 0 | 110.6 | T358 R378 | T358-P373 HydrophobicContact CG2-CB 4.19Å; T358-P373 HydrophobicContact CG2-CG 4.43Å; P373-R378 HydrophobicContact CB-CG 4.14Å; P373-R378 HydrophobicContact CG-CG 3.96Å |
| 374 | H | 58.7 | Low | 57.7 | Low | 136 Ų | 136 | 90.3 Ų | 90.3 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 141.2 | 176.4 | -86.4 | -70.7 | 0 | 0 | 0 | 111.1 | S372 G376 V377 R378 | S372-H374 PolarHBondContact O-N 3.31Å; H374-G376 VanDerWaalsContact C-N 3.27Å; H374-G376 PolarHBondContact O-N 3.26Å; H374-G376 VanDerWaalsContact O-N 3.15Å; H374-V377 HydrophobicContact CB-CG2 4.36Å; H374-V377 WeakPolarHBondContact O-CB 3.4Å; H374-V377 PolarHBondContact O-N 2.85Å; H374-R378 PolarHBondContact O-N 3.37Å |
| 375 | E | 62.8 | Low | 59.5 | Low | 145 Ų | 145 | 84.1 Ų | 84.1 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -52.9 | -39.9 | -173.2 | -164.6 | 156.3 | -150.9 | 0 | 0 | 113.5 | V377 R378 E379 | E375-V377 VanDerWaalsContact C-N 3.34Å; E375-V377 PolarHBondContact O-N 3.23Å; E375-R378 WeakPolarHBondContact O-CB 3.37Å; E375-R378 PolarHBondContact O-N 3.14Å; E375-E379 PolarHBondContact O-N 3.36Å |
| 376 | G | 60.6 | Low | 61.4 | Low | 31 Ų | 31 | 81.8 Ų | 81.8 | 32% | 0.32 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.6 | -28.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H374 G380 | H374-G376 VanDerWaalsContact C-N 3.27Å; H374-G376 PolarHBondContact O-N 3.26Å; H374-G376 VanDerWaalsContact O-N 3.15Å; G376-G380 PolarHBondContact O-N 2.9Å |
| 377 | V | 64.6 | Low | 63.4 | Low | 66 Ų | 66 | 79.6 Ų | 79.6 | 40% | 0.4 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.6 | -37.4 | 174.6 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | T358 H374 E375 G380 C381 | T358-V377 HydrophobicContact CG2-CG1 3.85Å; H374-V377 HydrophobicContact CB-CG2 4.36Å; H374-V377 WeakPolarHBondContact O-CB 3.4Å; H374-V377 PolarHBondContact O-N 2.85Å; E375-V377 VanDerWaalsContact C-N 3.34Å; E375-V377 PolarHBondContact O-N 3.23Å; V377-G380 PolarHBondContact O-N 3.14Å; V377-C381 PolarHBondContact O-N 3.37Å; V377-C381 PolarHBondContact O-SG 3.25Å; V377-C381 VanDerWaalsContact O-SG 3.37Å |
| 378 | R | 70.1 | Confident | 65.8 | Low | 79 Ų | 79 | 73.4 Ų | 73.4 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 177.2 | -59.3 | 179.3 | 56.4 | -150.6 | -12.7 | 111.3 | T358 P373 H374 E375 C381 D382 | T358-R378 WeakPolarHBondContact O-CG 3.2Å; P373-R378 HydrophobicContact CB-CG 4.14Å; P373-R378 HydrophobicContact CG-CG 3.96Å; H374-R378 PolarHBondContact O-N 3.37Å; E375-R378 WeakPolarHBondContact O-CB 3.37Å; E375-R378 PolarHBondContact O-N 3.14Å; R378-C381 PolarHBondContact O-N 3.47Å; R378-D382 PolarHBondContact O-N 3.49Å |
| 379 | E | 73.4 | Confident | 68.3 | Low | 127 Ų | 127 | 72.5 Ų | 72.5 | 59% | 0.593 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 175.2 | -71 | -179 | 168.5 | 0 | 0 | 112.2 | E375 D382 R383 | E375-E379 PolarHBondContact O-N 3.36Å; E379-D382 PolarHBondContact O-N 2.88Å; E379-R383 WeakPolarHBondContact O-CB 3.36Å; E379-R383 PolarHBondContact O-N 3.37Å |
| 380 | G | 70.5 | Confident | 70.7 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L330 G376 V377 R383 L384 | L330-G380 VanDerWaalsContact CD2-CA 3.46Å; G376-G380 PolarHBondContact O-N 2.9Å; V377-G380 PolarHBondContact O-N 3.14Å; G380-R383 PolarHBondContact O-N 2.9Å; G380-L384 VanDerWaalsContact O-CB 3.31Å; G380-L384 WeakPolarHBondContact O-CB 3.32Å; G380-L384 PolarHBondContact O-N 3.44Å |
| 381 | C | 73.5 | Confident | 72.7 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 176 | -69.8 | 0 | 0 | 0 | 0 | 112.9 | L355 A359 V377 R378 L384 L385 | L355-C381 HydrophobicContact CD2-CB 4.31Å; A359-C381 HydrophobicContact CB-CB 3.96Å; V377-C381 PolarHBondContact O-N 3.37Å; V377-C381 PolarHBondContact O-SG 3.25Å; V377-C381 VanDerWaalsContact O-SG 3.37Å; R378-C381 PolarHBondContact O-N 3.47Å; C381-L384 PolarHBondContact O-N 3Å; C381-L385 WeakPolarHBondContact O-CB 3.35Å; C381-L385 WeakPolarHBondContact O-CG 3.47Å; C381-L385 PolarHBondContact O-N 3.4Å |
| 382 | D | 79.4 | Confident | 74.5 | Confident | 31 Ų | 31 | 61 Ų | 61 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 173.7 | -175.3 | 13.6 | 0 | 0 | 0 | 110.4 | A359 R378 E379 L384 L385 Q386 K442 W446 | A359-D382 HydrophobicContact CB-CB 4.39Å; R378-D382 PolarHBondContact O-N 3.49Å; E379-D382 PolarHBondContact O-N 2.88Å; D382-L384 PolarHBondContact O-N 3.37Å; D382-L385 PolarHBondContact O-N 2.97Å; D382-Q386 WeakPolarHBondContact O-CG 3.28Å; D382-Q386 PolarHBondContact O-N 3.31Å; D382-Q386 PolarHBondContact OD1-NE2 3.39Å; D382-K442 IonicContact OD2-NZ 3.96Å; D382-W446 WeakPolarHBondContact OD1-CZ2 3.43Å |
| 383 | R | 79.4 | Confident | 76.3 | Confident | 148 Ų | 148 | 60.3 Ų | 60.3 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.7 | -39.1 | 179.8 | -162.3 | 159.7 | -177.7 | 170.3 | -4.9 | 112.6 | L334 E379 G380 Q386 M387 | L334-R383 HydrophobicContact CD1-CG 4.21Å; E379-R383 WeakPolarHBondContact O-CB 3.36Å; E379-R383 PolarHBondContact O-N 3.37Å; G380-R383 PolarHBondContact O-N 2.9Å; R383-Q386 PolarHBondContact O-N 3.17Å; R383-M387 WeakPolarHBondContact O-CB 3.49Å; R383-M387 VanDerWaalsContact O-CG 3.26Å; R383-M387 WeakPolarHBondContact O-CG 3.04Å; R383-M387 PolarHBondContact O-N 3.37Å |
| 384 | L | 79.8 | Confident | 77.5 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.3 | -169.8 | 83.3 | 0 | 0 | 0 | 111.5 | L334 A337 V338 I341 L355 G380 C381 D382 M387 L388 | L334-L384 HydrophobicContact CD2-CB 3.96Å; L334-L384 HydrophobicContact CD2-CD1 3.51Å; L334-L384 HydrophobicContact CD2-CG 4.35Å; A337-L384 HydrophobicContact CB-CD1 3.82Å; V338-L384 HydrophobicContact CG2-CD1 4Å; I341-L384 HydrophobicContact CD1-CD2 3.83Å; I341-L384 HydrophobicContact CD1-CG 4.44Å; L355-L384 HydrophobicContact CD1-CD2 3.77Å; L355-L384 HydrophobicContact CD2-CD2 3.51Å; L355-L384 HydrophobicContact CG-CD2 4.29Å; G380-L384 VanDerWaalsContact O-CB 3.31Å; G380-L384 WeakPolarHBondContact O-CB 3.32Å; G380-L384 PolarHBondContact O-N 3.44Å; C381-L384 PolarHBondContact O-N 3Å; D382-L384 PolarHBondContact O-N 3.37Å; L384-M387 PolarHBondContact O-N 3.33Å; L384-L388 VanDerWaalsContact O-CB 3.26Å; L384-L388 WeakPolarHBondContact O-CB 3.43Å; L384-L388 PolarHBondContact O-N 2.85Å |
| 385 | L | 83.8 | Confident | 78.7 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 176 | -83 | 166.1 | 0 | 0 | 0 | 112 | L352 L355 A359 C381 D382 L388 L389 W446 | L352-L385 HydrophobicContact CD1-CD2 4.05Å; L355-L385 HydrophobicContact CB-CD1 4Å; L355-L385 HydrophobicContact CB-CD2 3.9Å; L355-L385 HydrophobicContact CB-CG 3.85Å; L355-L385 HydrophobicContact CD1-CD2 4.23Å; L355-L385 HydrophobicContact CD1-CG 4.44Å; A359-L385 HydrophobicContact CB-CD1 4.06Å; C381-L385 WeakPolarHBondContact O-CB 3.35Å; C381-L385 WeakPolarHBondContact O-CG 3.47Å; C381-L385 PolarHBondContact O-N 3.4Å; D382-L385 PolarHBondContact O-N 2.97Å; L385-L388 PolarHBondContact O-N 3Å; L385-L389 VanDerWaalsContact O-CG 3.32Å; L385-L389 WeakPolarHBondContact O-CG 3.4Å; L385-L389 PolarHBondContact O-N 3.05Å; L385-W446 HydrophobicContact CD1-CD2 4.35Å; L385-W446 HydrophobicContact CD1-CE3 3.85Å; L385-W446 HydrophobicContact CD1-CZ3 4.02Å |
| 386 | Q | 86.2 | Confident | 79.7 | Confident | 95 Ų | 95 | 53 Ų | 53 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 177.3 | -70.7 | 174.4 | 21.2 | 0 | 0 | 111.7 | D382 R383 L389 L390 | D382-Q386 WeakPolarHBondContact O-CG 3.28Å; D382-Q386 PolarHBondContact O-N 3.31Å; D382-Q386 PolarHBondContact OD1-NE2 3.39Å; R383-Q386 PolarHBondContact O-N 3.17Å; Q386-L389 PolarHBondContact O-N 3.23Å; Q386-L390 WeakPolarHBondContact O-CB 3.37Å; Q386-L390 PolarHBondContact O-N 3.07Å |
| 387 | M | 81.6 | Confident | 80.6 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.6 | -35.8 | 177.8 | -69.9 | -61.3 | -66.4 | 0 | 0 | 112.2 | V338 R383 L384 L390 H391 | V338-M387 HydrophobicContact CG2-CB 3.8Å; R383-M387 WeakPolarHBondContact O-CB 3.49Å; R383-M387 VanDerWaalsContact O-CG 3.26Å; R383-M387 WeakPolarHBondContact O-CG 3.04Å; R383-M387 PolarHBondContact O-N 3.37Å; L384-M387 PolarHBondContact O-N 3.33Å; M387-L390 PolarHBondContact O-N 3.47Å; M387-L390 HydrophobicContact SD-CD2 4.47Å; M387-H391 VanDerWaalsContact O-CB 3.3Å; M387-H391 WeakPolarHBondContact O-CB 3.47Å; M387-H391 PolarHBondContact O-N 2.93Å |
| 388 | L | 84.9 | Confident | 80.9 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 173.5 | 179.2 | 64.1 | 0 | 0 | 0 | 111.3 | V338 I341 L384 L385 L390 H391 L392 F421 | V338-L388 HydrophobicContact CG1-CB 4.47Å; V338-L388 HydrophobicContact CG1-CD1 4.17Å; V338-L388 HydrophobicContact CG2-CB 4.32Å; I341-L388 HydrophobicContact CB-CD1 4.29Å; I341-L388 HydrophobicContact CG2-CD1 3.94Å; I341-L388 HydrophobicContact CG2-CD2 3.81Å; L384-L388 VanDerWaalsContact O-CB 3.26Å; L384-L388 WeakPolarHBondContact O-CB 3.43Å; L384-L388 PolarHBondContact O-N 2.85Å; L385-L388 PolarHBondContact O-N 3Å; L388-L390 VanDerWaalsContact C-N 3.32Å; L388-L390 PolarHBondContact O-N 3.5Å; L388-H391 PolarHBondContact O-N 3.27Å; L388-L392 HydrophobicContact CD1-CD1 4.14Å; L388-L392 HydrophobicContact CD1-CG 4.18Å; L388-L392 HydrophobicContact CG-CD1 4Å; L388-L392 HydrophobicContact CG-CG 4.43Å; L388-L392 WeakPolarHBondContact O-CB 3.31Å; L388-L392 VanDerWaalsContact O-CG 3.28Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 2.75Å; L388-F421 HydrophobicContact CD2-CE1 4.36Å; L388-F421 HydrophobicContact CD2-CZ 4.11Å |
| 389 | L | 88.1 | Confident | 80.4 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177 | -70.1 | 171.7 | 0 | 0 | 0 | 111.5 | L385 Q386 L392 H393 W446 Q449 L450 L453 | L385-L389 VanDerWaalsContact O-CG 3.32Å; L385-L389 WeakPolarHBondContact O-CG 3.4Å; L385-L389 PolarHBondContact O-N 3.05Å; Q386-L389 PolarHBondContact O-N 3.23Å; L389-L392 PolarHBondContact O-N 3.39Å; L389-H393 VanDerWaalsContact O-CB 3.26Å; L389-H393 WeakPolarHBondContact O-CB 3.49Å; L389-H393 PolarHBondContact O-N 3.47Å; L389-W446 HydrophobicContact CD1-CB 3.96Å; L389-W446 HydrophobicContact CD1-CG 4.24Å; L389-Q449 HydrophobicContact CD1-CB 4.42Å; L389-L450 HydrophobicContact CD2-CB 3.96Å; L389-L450 HydrophobicContact CD2-CD1 4.24Å; L389-L453 HydrophobicContact CD2-CD1 4.3Å |
| 390 | L | 87.7 | Confident | 78.9 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176 | -176 | 65.1 | 0 | 0 | 0 | 112.1 | Q386 M387 L388 H393 K394 | Q386-L390 WeakPolarHBondContact O-CB 3.37Å; Q386-L390 PolarHBondContact O-N 3.07Å; M387-L390 PolarHBondContact O-N 3.47Å; M387-L390 HydrophobicContact SD-CD2 4.47Å; L388-L390 VanDerWaalsContact C-N 3.32Å; L388-L390 PolarHBondContact O-N 3.5Å; L390-H393 PolarHBondContact O-N 3.37Å; L390-K394 WeakPolarHBondContact O-CG 3.43Å; L390-K394 PolarHBondContact O-N 3.3Å |
| 391 | H | 84.1 | Confident | 77.1 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 176.7 | -176.6 | 66.9 | 0 | 0 | 0 | 111.5 | V338 S342 M387 L388 H393 K394 L395 | V338-H391 HydrophobicContact CG1-CB 3.38Å; S342-H391 PolarHBondContact OG-NE2 3.05Å; M387-H391 VanDerWaalsContact O-CB 3.3Å; M387-H391 WeakPolarHBondContact O-CB 3.47Å; M387-H391 PolarHBondContact O-N 2.93Å; L388-H391 PolarHBondContact O-N 3.27Å; H391-H393 VanDerWaalsContact C-N 3.3Å; H391-H393 PolarHBondContact O-N 3.04Å; H391-K394 WeakPolarHBondContact O-CB 3.39Å; H391-K394 PolarHBondContact O-N 3.32Å; H391-L395 WeakPolarHBondContact NE2-CD1 3.42Å; H391-L395 WeakPolarHBondContact O-CG 3.32Å; H391-L395 PolarHBondContact O-N 3.11Å |
| 392 | L | 86.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.1 | -69.3 | 173.4 | 0 | 0 | 0 | 111.4 | L388 L389 K394 L395 V396 I419 F421 L422 L450 L453 | L388-L392 HydrophobicContact CD1-CD1 4.14Å; L388-L392 HydrophobicContact CD1-CG 4.18Å; L388-L392 HydrophobicContact CG-CD1 4Å; L388-L392 HydrophobicContact CG-CG 4.43Å; L388-L392 WeakPolarHBondContact O-CB 3.31Å; L388-L392 VanDerWaalsContact O-CG 3.28Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 2.75Å; L389-L392 PolarHBondContact O-N 3.39Å; L392-K394 PolarHBondContact O-N 3.17Å; L392-L395 PolarHBondContact O-N 3.27Å; L392-V396 WeakPolarHBondContact O-CB 3.38Å; L392-V396 VanDerWaalsContact O-CG2 3.26Å; L392-V396 WeakPolarHBondContact O-CG2 3.34Å; L392-V396 PolarHBondContact O-N 2.96Å; L392-I419 HydrophobicContact CD2-CG2 4.01Å; L392-F421 HydrophobicContact CD1-CD1 3.82Å; L392-F421 HydrophobicContact CD1-CE1 3.74Å; L392-F421 HydrophobicContact CD2-CD1 4.19Å; L392-L422 HydrophobicContact CD1-CD2 4.29Å; L392-L422 HydrophobicContact CD2-CD1 4.4Å; L392-L422 HydrophobicContact CD2-CD2 4.49Å; L392-L422 HydrophobicContact CD2-CG 4.19Å; L392-L450 HydrophobicContact CD1-CD1 4.03Å; L392-L453 HydrophobicContact CB-CD1 3.93Å |
| 393 | H | 87.5 | Confident | 73.2 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.4 | -48.7 | 173.6 | -174.3 | 92.3 | 0 | 0 | 0 | 111.6 | L389 L390 H391 L395 V396 F397 L453 | L389-H393 VanDerWaalsContact O-CB 3.26Å; L389-H393 WeakPolarHBondContact O-CB 3.49Å; L389-H393 PolarHBondContact O-N 3.47Å; L390-H393 PolarHBondContact O-N 3.37Å; H391-H393 VanDerWaalsContact C-N 3.3Å; H391-H393 PolarHBondContact O-N 3.04Å; H393-L395 VanDerWaalsContact C-N 3.34Å; H393-L395 PolarHBondContact O-N 3.47Å; H393-V396 PolarHBondContact O-N 3.15Å; H393-F397 AromaticContact CD2-CD2 3.96Å; H393-F397 AromaticContact CE1-CD2 3.33Å; H393-F397 WeakPolarHBondContact CE1-CD2 3.34Å; H393-F397 AromaticContact CE1-CE2 3.39Å; H393-F397 WeakPolarHBondContact CE1-CE2 3.45Å; H393-F397 AromaticContact CG-CD2 3.83Å; H393-F397 AromaticContact ND1-CD2 3.44Å; H393-F397 WeakPolarHBondContact ND1-CD2 3.39Å; H393-F397 AromaticContact ND1-CE2 3.43Å; H393-F397 WeakPolarHBondContact ND1-CE2 3.42Å; H393-F397 AromaticContact NE2-CD2 3.67Å; H393-F397 WeakPolarHBondContact O-CB 3.49Å; H393-F397 WeakPolarHBondContact O-CD2 3.35Å; H393-F397 PolarHBondContact O-N 3.37Å; H393-L453 HydrophobicContact CB-CD1 4.42Å; H393-L453 HydrophobicContact CB-CD2 3.97Å |
| 394 | K | 85.7 | Confident | 71.3 | Confident | 112 Ų | 112 | 73.7 Ų | 73.7 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 174.7 | -71.1 | 176.5 | -178.6 | -178.1 | 0 | 112.1 | L390 H391 L392 V396 N398 | L390-K394 WeakPolarHBondContact O-CG 3.43Å; L390-K394 PolarHBondContact O-N 3.3Å; H391-K394 WeakPolarHBondContact O-CB 3.39Å; H391-K394 PolarHBondContact O-N 3.32Å; L392-K394 PolarHBondContact O-N 3.17Å; K394-V396 PolarHBondContact O-N 2.9Å; K394-N398 WeakPolarHBondContact O-CA 3.36Å; K394-N398 WeakPolarHBondContact O-CB 3.49Å; K394-N398 PolarHBondContact O-N 2.99Å |
| 395 | L | 82.8 | Confident | 69.2 | Low | 53 Ų | 53 | 78.9 Ų | 78.9 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 179.7 | -69.7 | 178 | 0 | 0 | 0 | 113.2 | H391 L392 H393 I419 | H391-L395 WeakPolarHBondContact NE2-CD1 3.42Å; H391-L395 WeakPolarHBondContact O-CG 3.32Å; H391-L395 PolarHBondContact O-N 3.11Å; L392-L395 PolarHBondContact O-N 3.27Å; H393-L395 VanDerWaalsContact C-N 3.34Å; H393-L395 PolarHBondContact O-N 3.47Å; L395-I419 HydrophobicContact CB-CD1 3.78Å; L395-I419 HydrophobicContact CD1-CD1 4.47Å |
| 396 | V | 83.4 | Confident | 66.7 | Low | 8 Ų | 8 | 81.3 Ų | 81.3 | 5% | 0.048 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -78.2 | -43.7 | -179.3 | 173 | 0 | 0 | 0 | 0 | 111.4 | L392 H393 K394 I419 L422 L453 V456 | L392-V396 WeakPolarHBondContact O-CB 3.38Å; L392-V396 VanDerWaalsContact O-CG2 3.26Å; L392-V396 WeakPolarHBondContact O-CG2 3.34Å; L392-V396 PolarHBondContact O-N 2.96Å; H393-V396 PolarHBondContact O-N 3.15Å; K394-V396 PolarHBondContact O-N 2.9Å; V396-I419 HydrophobicContact CG2-CD1 4.06Å; V396-L422 HydrophobicContact CG2-CD1 3.72Å; V396-L453 HydrophobicContact CB-CD2 4.44Å; V396-V456 HydrophobicContact CG1-CB 3.91Å; V396-V456 HydrophobicContact CG1-CG1 3.5Å |
| 397 | F | 79.9 | Confident | 64.3 | Low | 88 Ų | 88 | 82.6 Ų | 82.6 | 39% | 0.386 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -94.4 | -27.8 | -173.7 | -70.4 | -79.2 | 0 | 0 | 0 | 115 | H393 R399 L453 V456 | H393-F397 AromaticContact CD2-CD2 3.96Å; H393-F397 AromaticContact CE1-CD2 3.33Å; H393-F397 WeakPolarHBondContact CE1-CD2 3.34Å; H393-F397 AromaticContact CE1-CE2 3.39Å; H393-F397 WeakPolarHBondContact CE1-CE2 3.45Å; H393-F397 AromaticContact CG-CD2 3.83Å; H393-F397 AromaticContact ND1-CD2 3.44Å; H393-F397 WeakPolarHBondContact ND1-CD2 3.39Å; H393-F397 AromaticContact ND1-CE2 3.43Å; H393-F397 WeakPolarHBondContact ND1-CE2 3.42Å; H393-F397 AromaticContact NE2-CD2 3.67Å; H393-F397 WeakPolarHBondContact O-CB 3.49Å; H393-F397 WeakPolarHBondContact O-CD2 3.35Å; H393-F397 PolarHBondContact O-N 3.37Å; F397-R399 PolarHBondContact O-N 2.84Å; F397-L453 HydrophobicContact CD2-CD2 4.28Å; F397-L453 HydrophobicContact CE2-CD2 3.76Å; F397-V456 HydrophobicContact CE1-CG1 4.16Å; F397-V456 HydrophobicContact CZ-CB 4.5Å; F397-V456 HydrophobicContact CZ-CG1 4.2Å; F397-V456 HydrophobicContact CZ-CG2 4.02Å |
| 398 | N | 70.9 | Confident | 62.1 | Low | 127 Ų | 127 | 88.6 Ų | 88.6 | 68% | 0.679 | 49% | 0.486 | S | S | * | . | trans | -80.6 | 34.9 | 174.8 | -64.2 | -7.5 | 0 | 0 | 0 | 112.6 | K394 S400 | K394-N398 WeakPolarHBondContact O-CA 3.36Å; K394-N398 WeakPolarHBondContact O-CB 3.49Å; K394-N398 PolarHBondContact O-N 2.99Å; N398-S400 VanDerWaalsContact C-N 3.3Å; N398-S400 PolarHBondContact O-N 3.29Å | ||
| 399 | R | 58.9 | Low | 59.4 | Low | 119 Ų | 119 | 91.6 Ų | 91.6 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | trans | -69.1 | 87.5 | 169.4 | -84.4 | -178 | 169.9 | 177.2 | -0.3 | 109 | F397 | F397-R399 PolarHBondContact O-N 2.84Š| ||
| 400 | S | 41.8 | Very low | 56.6 | Low | 77 Ų | 77 | 96.1 Ų | 96.1 | 54% | 0.538 | 55% | 0.551 | S | S | . | * | trans | 68.5 | 81.3 | 165 | -172.9 | 0 | 0 | 0 | 0 | 118.3 | N398 | N398-S400 VanDerWaalsContact C-N 3.3Å; N398-S400 PolarHBondContact O-N 3.29Å | ||
| 401 | E | 34.3 | Very low | 54.2 | Low | 206 Ų | 206 | 97.2 Ų | 97.2 | 96% | 0.963 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -93.7 | 85.7 | 137.3 | -77.3 | -171.4 | 165.6 | 0 | 0 | 107.5 | ||
| 402 | G | 38.7 | Very low | 51.9 | Low | 69 Ų | 69 | 99.1 Ų | 99.1 | 71% | 0.711 | 59% | 0.591 | S | S | * | * | trans | 172.2 | 45.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 403 | S | 32.4 | Very low | 49.4 | Very low | 82 Ų | 82 | 104.5 Ų | 104.5 | 57% | 0.573 | 63% | 0.629 | S | S | * | * | trans | -169.9 | 103.7 | 156.7 | 175.5 | 0 | 0 | 0 | 0 | 107.4 | V405 | S403-V405 PolarHBondContact O-N 3.1Å; S403-V405 VanDerWaalsContact O-N 3.07Å | ||
| 404 | D | 38.9 | Very low | 47.1 | Very low | 171 Ų | 171 | 107.8 Ų | 107.8 | 91% | 0.914 | 64% | 0.644 | S | S | * | * | trans | -50 | 112.5 | 166.5 | -74.9 | -44.7 | 0 | 0 | 0 | 110.3 | ||||
| 405 | V | 35.2 | Very low | 45 | Very low | 122 Ų | 122 | 108.5 Ų | 108.5 | 74% | 0.739 | 66% | 0.66 | S | S | * | * | trans | -139.7 | 121.7 | 162.3 | -175.9 | 0 | 0 | 0 | 0 | 107.6 | S403 | S403-V405 PolarHBondContact O-N 3.1Å; S403-V405 VanDerWaalsContact O-N 3.07Å | ||
| 406 | G | 30.8 | Very low | 43.7 | Very low | 55 Ų | 55 | 111.3 Ų | 111.3 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | trans | -62.2 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F408 | G406-F408 PolarHBondContact O-N 3.35Š| ||
| 407 | P | 37 | Very low | 42.8 | Very low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -82.8 | 39 | -158 | 34.5 | -36.8 | 0 | 0 | 0 | 114.9 | ||
| 408 | F | 34.3 | Very low | 42.6 | Very low | 207 Ų | 207 | 121 Ų | 121 | 91% | 0.908 | 71% | 0.714 | S | S | * | * | trans | -153.3 | 88.9 | 169.8 | -72.4 | -74.8 | 0 | 0 | 0 | 110.6 | G406 | G406-F408 PolarHBondContact O-N 3.35Š| ||
| 409 | G | 28.1 | Very low | 43.2 | Very low | 67 Ų | 67 | 115.4 Ų | 115.4 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | trans | -160.9 | 112.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A411 | G409-A411 PolarHBondContact O-N 2.88Š| ||
| 410 | S | 30.9 | Very low | 44.3 | Very low | 109 Ų | 109 | 111.1 Ų | 111.1 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | trans | -45 | 124.4 | 175.1 | 158.5 | 0 | 0 | 0 | 0 | 112.6 | S412 | S410-S412 PolarHBondContact O-N 3.4Š| ||
| 411 | A | 36 | Very low | 46.4 | Very low | 106 Ų | 106 | 107.4 Ų | 107.4 | 88% | 0.876 | 65% | 0.646 | S | S | * | * | trans | -68.3 | 85.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | G409 | G409-A411 PolarHBondContact O-N 2.88Š| ||
| 412 | S | 37 | Very low | 48.9 | Very low | 90 Ų | 90 | 97.6 Ų | 97.6 | 63% | 0.629 | 60% | 0.601 | S | S | * | * | trans | -143.4 | 140.6 | 159.8 | 74.5 | 0 | 0 | 0 | 0 | 111.4 | S410 | S410-S412 PolarHBondContact O-N 3.4Š| ||
| 413 | S | 33.9 | Very low | 51.3 | Low | 113 Ų | 113 | 97.9 Ų | 97.9 | 79% | 0.79 | 58% | 0.583 | S | S | * | * | trans | 66.5 | 65.3 | 167.4 | 68.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 414 | Q | 38.7 | Very low | 53.9 | Low | 160 Ų | 160 | 96 Ų | 96 | 75% | 0.748 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 132.9 | 135.3 | -74.5 | -158.1 | -11.9 | 0 | 0 | 108.6 | Q416 | Q414-Q416 PolarHBondContact O-N 2.81Š|
| 415 | P | 41.2 | Very low | 56.2 | Low | 127 Ų | 127 | 87.9 Ų | 87.9 | 83% | 0.825 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 122 | 176.6 | 24.7 | -30.8 | 0 | 0 | 0 | 108.6 | R417 | P415-R417 PolarHBondContact O-N 3.24Å; P415-R417 VanDerWaalsContact O-N 3.14Å |
| 416 | Q | 55.1 | Low | 58.8 | Low | 112 Ų | 112 | 85 Ų | 85 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 122.2 | 175.8 | -75.7 | -176.7 | -25.8 | 0 | 0 | 108.8 | Q414 V418 | Q414-Q416 PolarHBondContact O-N 2.81Å; Q416-V418 PolarHBondContact O-N 2.9Å |
| 417 | R | 64.3 | Low | 61.5 | Low | 213 Ų | 213 | 87 Ų | 87 | 80% | 0.804 | 50% | 0.503 | S | S | * | . | trans | -61.8 | 106.8 | 168.6 | -160.5 | 177.1 | -160.9 | 175.1 | 5.5 | 107.2 | P415 I419 | P415-R417 PolarHBondContact O-N 3.24Å; P415-R417 VanDerWaalsContact O-N 3.14Å; R417-I419 PolarHBondContact O-N 2.93Å | ||
| 418 | V | 77.2 | Confident | 64 | Low | 86 Ų | 86 | 84.2 Ų | 84.2 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | trans | -65.5 | 126 | -179.6 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | Q416 P420 E423 | Q416-V418 PolarHBondContact O-N 2.9Å; V418-P420 WeakPolarHBondContact O-CD 3.4Å; V418-E423 HydrophobicContact CG1-CB 4.22Å; V418-E423 HydrophobicContact CG1-CG 4.29Å | ||
| 419 | I | 82.6 | Confident | 66.7 | Low | 11 Ų | 11 | 74.4 Ų | 74.4 | 6% | 0.056 | 44% | 0.436 | C | S | . | . | trans | -98.7 | 101.5 | 171.1 | -60.3 | 171 | 0 | 0 | 0 | 105.4 | L392 L395 V396 R417 F421 L422 E423 Y457 | L392-I419 HydrophobicContact CD2-CG2 4.01Å; L395-I419 HydrophobicContact CB-CD1 3.78Å; L395-I419 HydrophobicContact CD1-CD1 4.47Å; V396-I419 HydrophobicContact CG2-CD1 4.06Å; R417-I419 PolarHBondContact O-N 2.93Å; I419-F421 PolarHBondContact O-N 3.39Å; I419-F421 VanDerWaalsContact O-N 3.15Å; I419-L422 HydrophobicContact CB-CB 4.28Å; I419-L422 HydrophobicContact CB-CD1 4.35Å; I419-L422 HydrophobicContact CB-CG 4.4Å; I419-L422 HydrophobicContact CD1-CD1 3.96Å; I419-L422 HydrophobicContact CG2-CB 4.22Å; I419-L422 HydrophobicContact CG2-CD1 4.19Å; I419-L422 HydrophobicContact CG2-CG 3.96Å; I419-L422 PolarHBondContact O-N 3.2Å; I419-E423 PolarHBondContact O-N 2.94Å; I419-Y457 HydrophobicContact CB-CE2 4.04Å; I419-Y457 HydrophobicContact CD1-CD2 4.01Å; I419-Y457 HydrophobicContact CD1-CE2 4.1Å; I419-Y457 HydrophobicContact CG1-CD2 4.44Å; I419-Y457 HydrophobicContact CG1-CE2 4.02Å; I419-Y457 PolarHBondContact N-OH 3.15Å | ||
| 420 | P | 82.9 | Confident | 69.7 | Low | 28 Ų | 28 | 72.8 Ų | 72.8 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -55.4 | -38.5 | -169.7 | -26.9 | 36 | 0 | 0 | 0 | 113.2 | S344 P345 V418 E423 E424 | S344-P420 CarbonylContact O-C 3.51Å; S344-P420 WeakPolarHBondContact O-CB 3.25Å; P345-P420 HydrophobicContact CB-CB 4.24Å; V418-P420 WeakPolarHBondContact O-CD 3.4Å; P420-E423 PolarHBondContact O-N 2.92Å; P420-E424 PolarHBondContact O-N 3.18Å |
| 421 | F | 84.1 | Confident | 72.5 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.5 | -178.2 | -101.6 | 0 | 0 | 0 | 113.4 | I341 S342 S344 L352 L388 L392 I419 L425 L450 | I341-F421 HydrophobicContact CG2-CD2 3.94Å; I341-F421 HydrophobicContact CG2-CE2 3.81Å; I341-F421 HydrophobicContact CG2-CZ 4.46Å; I341-F421 WeakPolarHBondContact O-CD2 3.2Å; S342-F421 WeakPolarHBondContact O-CB 3.33Å; S342-F421 PolarHBondContact O-N 3.12Å; S344-F421 PolarHBondContact O-N 3.29Å; L352-F421 HydrophobicContact CB-CZ 4.47Å; L388-F421 HydrophobicContact CD2-CE1 4.36Å; L388-F421 HydrophobicContact CD2-CZ 4.11Å; L392-F421 HydrophobicContact CD1-CD1 3.82Å; L392-F421 HydrophobicContact CD1-CE1 3.74Å; L392-F421 HydrophobicContact CD2-CD1 4.19Å; I419-F421 PolarHBondContact O-N 3.39Å; I419-F421 VanDerWaalsContact O-N 3.15Å; F421-L425 HydrophobicContact CD1-CD1 3.83Å; F421-L425 HydrophobicContact CE1-CD1 3.36Å; F421-L425 HydrophobicContact CE2-CD1 4.34Å; F421-L425 HydrophobicContact CG-CD1 4.49Å; F421-L425 HydrophobicContact CZ-CD1 3.66Å; F421-L425 VanDerWaalsContact O-CG 3.28Å; F421-L425 WeakPolarHBondContact O-CG 3.37Å; F421-L425 PolarHBondContact O-N 3.08Å; F421-L450 HydrophobicContact CE1-CD1 4.28Å |
| 422 | L | 87.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72.9 | -31.7 | 178.5 | -66.3 | -179.4 | 0 | 0 | 0 | 111.5 | L392 V396 I419 L425 R426 L450 L454 Y457 | L392-L422 HydrophobicContact CD1-CD2 4.29Å; L392-L422 HydrophobicContact CD2-CD1 4.4Å; L392-L422 HydrophobicContact CD2-CD2 4.49Å; L392-L422 HydrophobicContact CD2-CG 4.19Å; V396-L422 HydrophobicContact CG2-CD1 3.72Å; I419-L422 HydrophobicContact CB-CB 4.28Å; I419-L422 HydrophobicContact CB-CD1 4.35Å; I419-L422 HydrophobicContact CB-CG 4.4Å; I419-L422 HydrophobicContact CD1-CD1 3.96Å; I419-L422 HydrophobicContact CG2-CB 4.22Å; I419-L422 HydrophobicContact CG2-CD1 4.19Å; I419-L422 HydrophobicContact CG2-CG 3.96Å; I419-L422 PolarHBondContact O-N 3.2Å; L422-L425 HydrophobicContact CD2-CD1 4.48Å; L422-L425 PolarHBondContact O-N 2.82Å; L422-R426 WeakPolarHBondContact O-CG 3.13Å; L422-R426 PolarHBondContact O-N 2.74Å; L422-L450 HydrophobicContact CD2-CD1 4.01Å; L422-L454 HydrophobicContact CB-CD1 4.24Å; L422-L454 HydrophobicContact CD2-CD1 4.36Å; L422-L454 VanDerWaalsContact O-CD1 3.32Å; L422-L454 WeakPolarHBondContact O-CD1 3.39Å; L422-Y457 HydrophobicContact CB-CD1 3.62Å; L422-Y457 HydrophobicContact CB-CE1 3.81Å; L422-Y457 HydrophobicContact CB-CG 4.11Å; L422-Y457 HydrophobicContact CD1-CD1 4.18Å; L422-Y457 HydrophobicContact CD1-CD2 4.17Å; L422-Y457 HydrophobicContact CD1-CG 3.79Å |
| 423 | E | 89 | Confident | 77.9 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.7 | -160 | 61.8 | -140.5 | 0 | 0 | 111.8 | V418 I419 P420 L425 R426 Y457 | V418-E423 HydrophobicContact CG1-CB 4.22Å; V418-E423 HydrophobicContact CG1-CG 4.29Å; I419-E423 PolarHBondContact O-N 2.94Å; P420-E423 PolarHBondContact O-N 2.92Å; E423-L425 VanDerWaalsContact C-N 3.33Å; E423-L425 PolarHBondContact O-N 2.91Å; E423-R426 VanDerWaalsContact CD-NH1 3.35Å; E423-R426 WeakPolarHBondContact O-CB 3.4Å; E423-R426 PolarHBondContact O-N 3.19Å; E423-R426 WeakPolarHBondContact OE1-CD 3.32Å; E423-R426 IonicContact OE1-CZ 2.71Å; E423-R426 IonicContact OE1-NE 3.18Å; E423-R426 IonicContact OE1-NH1 3Å; E423-R426 PolarHBondContact OE1-NH1 2.92Å; E423-R426 IonicContact OE2-CZ 3.85Å; E423-R426 IonicContact OE2-NE 2.88Å; E423-R426 IonicContact OE2-NH1 3.4Å; E423-R426 PolarHBondContact OE2-NH1 2.87Å; E423-R426 VanDerWaalsContact OE2-NH1 3.09Å; E423-R426 IonicContact OE2-NH2 3.47Å; E423-Y457 VanDerWaalsContact OE2-CE1 3.27Å; E423-Y457 WeakPolarHBondContact OE2-CE1 3.27Å; E423-Y457 PolarHBondContact OE2-OH 3.21Å |
| 424 | E | 86.9 | Confident | 80.6 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 174.4 | -173.2 | -173.8 | 171.2 | 0 | 0 | 111.7 | T346 G347 G348 P420 R426 S427 H428 | T346-E424 WeakPolarHBondContact CA-OE2 3.34Å; G347-E424 WeakPolarHBondContact CA-OE1 3.3Å; G347-E424 VanDerWaalsContact N-CD 3.28Å; G347-E424 PolarHBondContact N-OE1 2.93Å; G347-E424 PolarHBondContact N-OE2 3.42Å; G348-E424 WeakPolarHBondContact CA-OE2 3.3Å; G348-E424 PolarHBondContact N-OE1 2.87Å; G348-E424 PolarHBondContact N-OE2 3.45Å; P420-E424 PolarHBondContact O-N 3.18Å; E424-R426 VanDerWaalsContact C-N 3.27Å; E424-R426 PolarHBondContact O-N 2.96Å; E424-S427 PolarHBondContact O-N 3.14Å; E424-S427 PolarHBondContact O-OG 3.05Å; E424-H428 PolarHBondContact O-ND1 2.7Å; E424-H428 VanDerWaalsContact O-ND1 3.16Å |
| 425 | L | 87.6 | Confident | 83 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.1 | -18.9 | -177.8 | -71 | 176.4 | 0 | 0 | 0 | 114 | A349 L352 F421 L422 E423 S427 H428 L432 L450 L454 | A349-L425 HydrophobicContact CB-CD2 3.99Å; L352-L425 HydrophobicContact CD2-CD2 4.26Å; F421-L425 HydrophobicContact CD1-CD1 3.83Å; F421-L425 HydrophobicContact CE1-CD1 3.36Å; F421-L425 HydrophobicContact CE2-CD1 4.34Å; F421-L425 HydrophobicContact CG-CD1 4.49Å; F421-L425 HydrophobicContact CZ-CD1 3.66Å; F421-L425 VanDerWaalsContact O-CG 3.28Å; F421-L425 WeakPolarHBondContact O-CG 3.37Å; F421-L425 PolarHBondContact O-N 3.08Å; L422-L425 HydrophobicContact CD2-CD1 4.48Å; L422-L425 PolarHBondContact O-N 2.82Å; E423-L425 VanDerWaalsContact C-N 3.33Å; E423-L425 PolarHBondContact O-N 2.91Å; L425-S427 PolarHBondContact O-N 2.92Å; L425-H428 WeakPolarHBondContact O-CA 3.18Å; L425-H428 PolarHBondContact O-N 3.24Å; L425-L432 HydrophobicContact CD2-CD1 4.35Å; L425-L450 HydrophobicContact CD1-CD1 4.29Å; L425-L450 HydrophobicContact CD1-CD2 3.97Å; L425-L450 HydrophobicContact CD1-CG 4.46Å; L425-L454 HydrophobicContact CB-CD1 4.36Å; L425-L454 HydrophobicContact CB-CD2 4.31Å |
| 426 | R | 89.1 | Confident | 85.4 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -56.2 | -35.7 | 174.7 | -75 | 176.6 | 171.8 | -177.9 | -3.4 | 112.5 | L422 E423 E424 H428 V429 L454 Y457 | L422-R426 WeakPolarHBondContact O-CG 3.13Å; L422-R426 PolarHBondContact O-N 2.74Å; E423-R426 VanDerWaalsContact CD-NH1 3.35Å; E423-R426 WeakPolarHBondContact O-CB 3.4Å; E423-R426 PolarHBondContact O-N 3.19Å; E423-R426 WeakPolarHBondContact OE1-CD 3.32Å; E423-R426 IonicContact OE1-CZ 2.71Å; E423-R426 IonicContact OE1-NE 3.18Å; E423-R426 IonicContact OE1-NH1 3Å; E423-R426 PolarHBondContact OE1-NH1 2.92Å; E423-R426 IonicContact OE2-CZ 3.85Å; E423-R426 IonicContact OE2-NE 2.88Å; E423-R426 IonicContact OE2-NH1 3.4Å; E423-R426 PolarHBondContact OE2-NH1 2.87Å; E423-R426 VanDerWaalsContact OE2-NH1 3.09Å; E423-R426 IonicContact OE2-NH2 3.47Å; E424-R426 VanDerWaalsContact C-N 3.27Å; E424-R426 PolarHBondContact O-N 2.96Å; R426-H428 PolarHBondContact O-N 3.48Å; R426-V429 WeakPolarHBondContact O-CG2 3.29Å; R426-L454 HydrophobicContact CG-CD1 3.86Å; R426-Y457 VanDerWaalsContact CZ-CE1 3.48Å; R426-Y457 VanDerWaalsContact NH2-CE1 3.32Å; R426-Y457 PolarHBondContact NH2-O 3.4Å |
| 427 | S | 88.1 | Confident | 87.1 | Confident | 95 Ų | 95 | 40.8 Ų | 40.8 | 66% | 0.664 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -74.6 | -7.1 | 176.6 | 63.4 | 0 | 0 | 0 | 0 | 114.2 | E424 L425 | E424-S427 PolarHBondContact O-N 3.14Å; E424-S427 PolarHBondContact O-OG 3.05Å; L425-S427 PolarHBondContact O-N 2.92Å |
| 428 | H | 89.4 | Confident | 88.3 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 30% | 0.296 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -115.9 | 18 | -174 | -63.2 | 88.9 | 0 | 0 | 0 | 113.2 | E424 L425 R426 A430 P431 L432 | E424-H428 PolarHBondContact O-ND1 2.7Å; E424-H428 VanDerWaalsContact O-ND1 3.16Å; L425-H428 WeakPolarHBondContact O-CA 3.18Å; L425-H428 PolarHBondContact O-N 3.24Å; R426-H428 PolarHBondContact O-N 3.48Å; H428-A430 PolarHBondContact O-N 3.2Å; H428-P431 HydrophobicContact CB-CG 4.14Å; H428-P431 WeakPolarHBondContact O-CD 3.27Å; H428-P431 VanDerWaalsContact O-CG 3.24Å; H428-P431 WeakPolarHBondContact O-CG 3.39Å; H428-L432 HydrophobicContact CB-CD1 4.42Å; H428-L432 WeakPolarHBondContact O-CB 3.41Å; H428-L432 WeakPolarHBondContact O-CD1 3.35Å; H428-L432 WeakPolarHBondContact O-CG 3.5Å; H428-L432 PolarHBondContact O-N 3.1Å |
| 429 | V | 91.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -49 | -179.3 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | R426 L432 C433 L454 V462 T466 | R426-V429 WeakPolarHBondContact O-CG2 3.29Å; V429-L432 PolarHBondContact O-N 2.84Å; V429-C433 PolarHBondContact O-N 3.45Å; V429-C433 PolarHBondContact O-SG 2.87Å; V429-C433 VanDerWaalsContact O-SG 3.37Å; V429-L454 HydrophobicContact CG2-CD2 3.77Å; V429-V462 HydrophobicContact CG2-CG1 4.03Å; V429-T466 HydrophobicContact CG1-CG2 4.48Å; V429-T466 WeakPolarHBondContact CG1-OG1 3.33Å |
| 430 | A | 89.9 | Confident | 88.7 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.5 | -50.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H428 L432 C433 A434 Q469 | H428-A430 PolarHBondContact O-N 3.2Å; A430-L432 VanDerWaalsContact C-N 3.34Å; A430-L432 PolarHBondContact O-N 3.19Å; A430-C433 PolarHBondContact O-N 3.38Å; A430-A434 PolarHBondContact O-N 3.34Å; A430-A434 VanDerWaalsContact O-N 3.11Å; A430-Q469 HydrophobicContact CB-CG 4.48Å |
| 431 | P | 90.9 | Very high | 88.6 | Confident | 55 Ų | 55 | 42.8 Ų | 42.8 | 36% | 0.357 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67 | -32.2 | 175.5 | 23.1 | -31.5 | 0 | 0 | 0 | 113 | H428 A434 E435 | H428-P431 HydrophobicContact CB-CG 4.14Å; H428-P431 WeakPolarHBondContact O-CD 3.27Å; H428-P431 VanDerWaalsContact O-CG 3.24Å; H428-P431 WeakPolarHBondContact O-CG 3.39Å; P431-A434 PolarHBondContact O-N 3.1Å; P431-E435 VanDerWaalsContact O-CG 3.3Å; P431-E435 WeakPolarHBondContact O-CG 3.36Å; P431-E435 PolarHBondContact O-N 3.37Å |
| 432 | L | 91.5 | Very high | 88.6 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.2 | -73.1 | 169.3 | 0 | 0 | 0 | 111.9 | L352 L425 H428 V429 A430 E435 T436 L447 L451 L454 | L352-L432 HydrophobicContact CD2-CD2 3.68Å; L425-L432 HydrophobicContact CD2-CD1 4.35Å; H428-L432 HydrophobicContact CB-CD1 4.42Å; H428-L432 WeakPolarHBondContact O-CB 3.41Å; H428-L432 WeakPolarHBondContact O-CD1 3.35Å; H428-L432 WeakPolarHBondContact O-CG 3.5Å; H428-L432 PolarHBondContact O-N 3.1Å; V429-L432 PolarHBondContact O-N 2.84Å; A430-L432 VanDerWaalsContact C-N 3.34Å; A430-L432 PolarHBondContact O-N 3.19Å; L432-E435 PolarHBondContact O-N 3.47Å; L432-T436 WeakPolarHBondContact O-CB 3.49Å; L432-T436 PolarHBondContact O-N 3.5Å; L432-T436 PolarHBondContact O-OG1 3.2Å; L432-L447 HydrophobicContact CD2-CD2 4.13Å; L432-L451 HydrophobicContact CB-CD2 3.89Å; L432-L451 HydrophobicContact CD1-CD2 4.4Å; L432-L454 HydrophobicContact CD1-CD2 4.35Å |
| 433 | C | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -47.3 | 173.1 | -70.4 | 0 | 0 | 0 | 0 | 111.2 | V429 A430 E435 T436 L437 Q469 L470 | V429-C433 PolarHBondContact O-N 3.45Å; V429-C433 PolarHBondContact O-SG 2.87Å; V429-C433 VanDerWaalsContact O-SG 3.37Å; A430-C433 PolarHBondContact O-N 3.38Å; C433-E435 VanDerWaalsContact C-N 3.35Å; C433-E435 PolarHBondContact O-N 2.77Å; C433-T436 WeakPolarHBondContact O-CB 3.5Å; C433-T436 PolarHBondContact O-N 3.48Å; C433-L437 VanDerWaalsContact O-CG 3.25Å; C433-L437 WeakPolarHBondContact O-CG 3.31Å; C433-L437 PolarHBondContact O-N 3.41Å; C433-Q469 HydrophobicContact CB-CB 4.03Å; C433-L470 HydrophobicContact CB-CD2 3.95Å |
| 434 | A | 91.1 | Very high | 88.5 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A430 P431 L437 | A430-A434 PolarHBondContact O-N 3.34Å; A430-A434 VanDerWaalsContact O-N 3.11Å; P431-A434 PolarHBondContact O-N 3.1Å; A434-L437 PolarHBondContact O-N 3.34Å |
| 435 | E | 89.4 | Confident | 88.7 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 12% | 0.117 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.2 | -36.3 | 176.4 | -68.8 | -70 | 144.8 | 0 | 0 | 112 | P431 L432 C433 L437 R438 R443 L447 | P431-E435 VanDerWaalsContact O-CG 3.3Å; P431-E435 WeakPolarHBondContact O-CG 3.36Å; P431-E435 PolarHBondContact O-N 3.37Å; L432-E435 PolarHBondContact O-N 3.47Å; C433-E435 VanDerWaalsContact C-N 3.35Å; C433-E435 PolarHBondContact O-N 2.77Å; E435-L437 VanDerWaalsContact C-N 3.3Å; E435-L437 PolarHBondContact O-N 3.06Å; E435-R438 PolarHBondContact O-N 3.4Å; E435-R438 IonicContact OE1-CZ 3.03Å; E435-R438 IonicContact OE1-NH1 3.73Å; E435-R438 PolarHBondContact OE1-NH1 2.68Å; E435-R438 IonicContact OE1-NH2 2.88Å; E435-R438 PolarHBondContact OE1-NH2 3.45Å; E435-R438 IonicContact OE2-CZ 2.82Å; E435-R438 IonicContact OE2-NH1 3.07Å; E435-R438 PolarHBondContact OE2-NH1 2.87Å; E435-R443 IonicContact OE2-CZ 3.72Å; E435-R443 VanDerWaalsContact OE2-CZ 3.3Å; E435-R443 IonicContact OE2-NE 4Å; E435-R443 IonicContact OE2-NH2 2.81Å; E435-R443 PolarHBondContact OE2-NH2 3.49Å; E435-L447 HydrophobicContact CB-CD1 3.8Å |
| 436 | T | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 176 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | L432 C433 R438 L439 H444 L447 H448 L451 L482 | L432-T436 WeakPolarHBondContact O-CB 3.49Å; L432-T436 PolarHBondContact O-N 3.5Å; L432-T436 PolarHBondContact O-OG1 3.2Å; C433-T436 WeakPolarHBondContact O-CB 3.5Å; C433-T436 PolarHBondContact O-N 3.48Å; T436-R438 PolarHBondContact O-N 2.91Å; T436-L439 PolarHBondContact O-N 3.41Å; T436-H444 VanDerWaalsContact O-CB 3.29Å; T436-H444 WeakPolarHBondContact O-CB 3.41Å; T436-L447 HydrophobicContact CG2-CB 4.41Å; T436-L447 VanDerWaalsContact OG1-CB 3.24Å; T436-L447 WeakPolarHBondContact OG1-CB 3.24Å; T436-H448 HydrophobicContact CG2-CB 4Å; T436-L451 HydrophobicContact CG2-CD1 4.35Å; T436-L451 WeakPolarHBondContact OG1-CD1 3.47Å; T436-L482 HydrophobicContact CG2-CD1 4.04Å |
| 437 | L | 92.1 | Very high | 88.9 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.9 | -179.9 | -66.1 | 168.6 | 0 | 0 | 0 | 114.2 | C433 A434 E435 L439 L470 Q473 A474 E479 | C433-L437 VanDerWaalsContact O-CG 3.25Å; C433-L437 WeakPolarHBondContact O-CG 3.31Å; C433-L437 PolarHBondContact O-N 3.41Å; A434-L437 PolarHBondContact O-N 3.34Å; E435-L437 VanDerWaalsContact C-N 3.3Å; E435-L437 PolarHBondContact O-N 3.06Å; L437-L439 PolarHBondContact O-N 2.97Å; L437-L470 HydrophobicContact CD1-CD2 4.18Å; L437-L470 HydrophobicContact CD2-CD2 3.91Å; L437-L470 HydrophobicContact CG-CD2 3.96Å; L437-Q473 HydrophobicContact CD1-CB 3.43Å; L437-Q473 VanDerWaalsContact CD1-CB 3.43Å; L437-A474 HydrophobicContact CD2-CB 4.1Å; L437-E479 HydrophobicContact CB-CG 4.38Å; L437-E479 HydrophobicContact CD2-CB 3.74Å; L437-E479 HydrophobicContact CD2-CG 4.08Å; L437-E479 WeakPolarHBondContact O-CG 3.37Å |
| 438 | R | 88.8 | Confident | 89.2 | Confident | 138 Ų | 138 | 43 Ų | 43 | 52% | 0.521 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.3 | 174 | -68.4 | -164.9 | -178.6 | 135.9 | 15.8 | 114.1 | E435 T436 E440 | E435-R438 PolarHBondContact O-N 3.4Å; E435-R438 IonicContact OE1-CZ 3.03Å; E435-R438 IonicContact OE1-NH1 3.73Å; E435-R438 PolarHBondContact OE1-NH1 2.68Å; E435-R438 IonicContact OE1-NH2 2.88Å; E435-R438 PolarHBondContact OE1-NH2 3.45Å; E435-R438 IonicContact OE2-CZ 2.82Å; E435-R438 IonicContact OE2-NH1 3.07Å; E435-R438 PolarHBondContact OE2-NH1 2.87Å; T436-R438 PolarHBondContact O-N 2.91Å; R438-E440 HydrophobicContact CB-CG 4.02Å; R438-E440 VanDerWaalsContact CD-OE1 3.31Å; R438-E440 WeakPolarHBondContact CD-OE1 3.45Å; R438-E440 PolarHBondContact O-N 3.44Å |
| 439 | L | 85.4 | Confident | 89.4 | Confident | 46 Ų | 46 | 44.8 Ų | 44.8 | 24% | 0.241 | 22% | 0.215 | C | C | . | . | trans | 54.6 | 33.9 | 178.5 | -57.7 | 178.5 | 0 | 0 | 0 | 114.1 | T436 L437 R441 H444 E478 E479 L482 | T436-L439 PolarHBondContact O-N 3.41Å; L437-L439 PolarHBondContact O-N 2.97Å; L439-R441 PolarHBondContact O-N 3.01Å; L439-H444 HydrophobicContact CD2-CB 4.49Å; L439-E478 HydrophobicContact CD1-CB 3.82Å; L439-E479 HydrophobicContact CD1-CG 3.84Å; L439-E479 HydrophobicContact CG-CG 4.17Å; L439-L482 HydrophobicContact CD2-CD1 3.63Å; L439-L482 HydrophobicContact CD2-CG 4.36Å | ||
| 440 | E | 81.8 | Confident | 89.4 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 24% | 0.243 | 22% | 0.215 | C | C | . | . | trans | -75.9 | 106.5 | -179.4 | -69.8 | 174.2 | -168.6 | 0 | 0 | 111.5 | R438 K442 R443 | R438-E440 HydrophobicContact CB-CG 4.02Å; R438-E440 VanDerWaalsContact CD-OE1 3.31Å; R438-E440 WeakPolarHBondContact CD-OE1 3.45Å; R438-E440 PolarHBondContact O-N 3.44Å; E440-K442 PolarHBondContact O-N 3.27Å; E440-K442 VanDerWaalsContact O-N 3.13Å; E440-R443 HydrophobicContact CB-CB 4.26Å; E440-R443 VanDerWaalsContact O-CB 3.23Å; E440-R443 WeakPolarHBondContact O-CB 3.47Å; E440-R443 PolarHBondContact O-N 3.48Å; E440-R443 VanDerWaalsContact OE2-CD 3.32Å; E440-R443 WeakPolarHBondContact OE2-CD 3.47Å; E440-R443 IonicContact OE2-CZ 3.52Å; E440-R443 IonicContact OE2-NE 2.92Å; E440-R443 IonicContact OE2-NH1 3.56Å; E440-R443 PolarHBondContact OE2-NH1 3.03Å | ||
| 441 | R | 81.9 | Confident | 89.6 | Confident | 145 Ų | 145 | 43.3 Ų | 43.3 | 55% | 0.547 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.6 | -115 | 170.9 | -65 | -178.7 | 173.6 | 171.4 | -3.2 | 113.7 | T360 L439 H444 | T360-R441 HydrophobicContact CG2-CB 4.45Å; L439-R441 PolarHBondContact O-N 3.01Å; R441-H444 PolarHBondContact O-CE1 3.14Å; R441-H444 PolarHBondContact O-ND1 3.17Å |
| 442 | K | 83 | Confident | 89.7 | Confident | 105 Ų | 105 | 41.5 Ų | 41.5 | 46% | 0.457 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -13.5 | 177.6 | -65.7 | -174.8 | -178.7 | 179.3 | 0 | 113.4 | T360 D382 E440 H444 L445 W446 | T360-K442 HydrophobicContact CG2-CB 4.46Å; D382-K442 IonicContact OD2-NZ 3.96Å; E440-K442 PolarHBondContact O-N 3.27Å; E440-K442 VanDerWaalsContact O-N 3.13Å; K442-H444 PolarHBondContact O-N 3.05Å; K442-L445 WeakPolarHBondContact O-CB 3.46Å; K442-L445 PolarHBondContact O-N 3.29Å; K442-L445 VanDerWaalsContact O-N 3.12Å; K442-W446 HydrophobicContact CB-CD2 4.49Å; K442-W446 HydrophobicContact CB-CH2 3.74Å; K442-W446 HydrophobicContact CB-CZ2 3.52Å; K442-W446 HydrophobicContact CB-CZ3 4.29Å; K442-W446 HydrophobicContact CD-CH2 4.36Å; K442-W446 HydrophobicContact CD-CZ2 3.8Å; K442-W446 HydrophobicContact CG-CZ2 4.35Å; K442-W446 PolarHBondContact O-N 2.77Å |
| 443 | R | 86.2 | Confident | 89.7 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.8 | -47.7 | -175 | -179.7 | -172.4 | -178.6 | 135.1 | 9.5 | 111.8 | A356 D357 E435 E440 L445 W446 L447 | A356-R443 HydrophobicContact CB-CG 4.4Å; D357-R443 IonicContact OD1-CZ 3.19Å; D357-R443 VanDerWaalsContact OD1-CZ 3.25Å; D357-R443 IonicContact OD1-NH1 2.92Å; D357-R443 PolarHBondContact OD1-NH1 2.81Å; D357-R443 IonicContact OD1-NH2 2.78Å; D357-R443 PolarHBondContact OD1-NH2 2.96Å; D357-R443 VanDerWaalsContact OD1-NH2 3.1Å; E435-R443 IonicContact OE2-CZ 3.72Å; E435-R443 VanDerWaalsContact OE2-CZ 3.3Å; E435-R443 IonicContact OE2-NE 4Å; E435-R443 IonicContact OE2-NH2 2.81Å; E435-R443 PolarHBondContact OE2-NH2 3.49Å; E440-R443 HydrophobicContact CB-CB 4.26Å; E440-R443 VanDerWaalsContact O-CB 3.23Å; E440-R443 WeakPolarHBondContact O-CB 3.47Å; E440-R443 PolarHBondContact O-N 3.48Å; E440-R443 VanDerWaalsContact OE2-CD 3.32Å; E440-R443 WeakPolarHBondContact OE2-CD 3.47Å; E440-R443 IonicContact OE2-CZ 3.52Å; E440-R443 IonicContact OE2-NE 2.92Å; E440-R443 IonicContact OE2-NH1 3.56Å; E440-R443 PolarHBondContact OE2-NH1 3.03Å; R443-L445 PolarHBondContact O-N 2.87Å; R443-W446 PolarHBondContact O-N 3.13Å; R443-L447 HydrophobicContact CG-CD1 3.87Å; R443-L447 HydrophobicContact CG-CG 4.31Å; R443-L447 WeakPolarHBondContact O-CG 3.49Å; R443-L447 PolarHBondContact O-N 3.49Å |
| 444 | H | 88.6 | Confident | 89.7 | Confident | 33 Ų | 33 | 41.1 Ų | 41.1 | 15% | 0.153 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -31.4 | -179.2 | 71.3 | -86.1 | 0 | 0 | 0 | 112.3 | T436 L439 R441 K442 H448 | T436-H444 VanDerWaalsContact O-CB 3.29Å; T436-H444 WeakPolarHBondContact O-CB 3.41Å; L439-H444 HydrophobicContact CD2-CB 4.49Å; R441-H444 PolarHBondContact O-CE1 3.14Å; R441-H444 PolarHBondContact O-ND1 3.17Å; K442-H444 PolarHBondContact O-N 3.05Å; H444-H448 WeakPolarHBondContact O-CB 3.35Å; H444-H448 PolarHBondContact O-N 3.34Å |
| 445 | L | 90.8 | Very high | 89.7 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 44% | 0.44 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.2 | -45.3 | 176.4 | -60 | 173.2 | 0 | 0 | 0 | 111.4 | K442 R443 H448 Q449 | K442-L445 WeakPolarHBondContact O-CB 3.46Å; K442-L445 PolarHBondContact O-N 3.29Å; K442-L445 VanDerWaalsContact O-N 3.12Å; R443-L445 PolarHBondContact O-N 2.87Å; L445-H448 PolarHBondContact O-N 3.47Å; L445-Q449 WeakPolarHBondContact O-CB 3.42Å; L445-Q449 VanDerWaalsContact O-CG 3.3Å; L445-Q449 WeakPolarHBondContact O-CG 3.28Å; L445-Q449 PolarHBondContact O-N 3.38Å |
| 446 | W | 90.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 8% | 0.076 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 177.7 | -58.6 | -40 | 0 | 0 | 0 | 112.1 | A359 T360 D382 L385 L389 K442 R443 Q449 L450 | A359-W446 HydrophobicContact CB-CH2 3.9Å; A359-W446 HydrophobicContact CB-CZ3 3.87Å; T360-W446 HydrophobicContact CG2-CH2 3.83Å; T360-W446 HydrophobicContact CG2-CZ3 3.94Å; D382-W446 WeakPolarHBondContact OD1-CZ2 3.43Å; L385-W446 HydrophobicContact CD1-CD2 4.35Å; L385-W446 HydrophobicContact CD1-CE3 3.85Å; L385-W446 HydrophobicContact CD1-CZ3 4.02Å; L389-W446 HydrophobicContact CD1-CB 3.96Å; L389-W446 HydrophobicContact CD1-CG 4.24Å; K442-W446 HydrophobicContact CB-CD2 4.49Å; K442-W446 HydrophobicContact CB-CH2 3.74Å; K442-W446 HydrophobicContact CB-CZ2 3.52Å; K442-W446 HydrophobicContact CB-CZ3 4.29Å; K442-W446 HydrophobicContact CD-CH2 4.36Å; K442-W446 HydrophobicContact CD-CZ2 3.8Å; K442-W446 HydrophobicContact CG-CZ2 4.35Å; K442-W446 PolarHBondContact O-N 2.77Å; R443-W446 PolarHBondContact O-N 3.13Å; W446-Q449 PolarHBondContact O-N 2.88Å; W446-L450 WeakPolarHBondContact O-CB 3.2Å; W446-L450 PolarHBondContact O-N 2.93Å |
| 447 | L | 91.8 | Very high | 89.7 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 178.4 | -64.6 | 178.9 | 0 | 0 | 0 | 111.5 | L352 L432 E435 T436 R443 L450 L451 | L352-L447 HydrophobicContact CD1-CD2 4.49Å; L352-L447 HydrophobicContact CD2-CD2 4.15Å; L352-L447 HydrophobicContact CG-CD2 4.4Å; L432-L447 HydrophobicContact CD2-CD2 4.13Å; E435-L447 HydrophobicContact CB-CD1 3.8Å; T436-L447 HydrophobicContact CG2-CB 4.41Å; T436-L447 VanDerWaalsContact OG1-CB 3.24Å; T436-L447 WeakPolarHBondContact OG1-CB 3.24Å; R443-L447 HydrophobicContact CG-CD1 3.87Å; R443-L447 HydrophobicContact CG-CG 4.31Å; R443-L447 WeakPolarHBondContact O-CG 3.49Å; R443-L447 PolarHBondContact O-N 3.49Å; L447-L450 PolarHBondContact O-N 3.17Å; L447-L451 WeakPolarHBondContact O-CG 3.28Å; L447-L451 PolarHBondContact O-N 3.3Å |
| 448 | H | 93.8 | Very high | 89.3 | Confident | 17 Ų | 17 | 40 Ų | 40 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.7 | -175.2 | -86.1 | 0 | 0 | 0 | 112 | T436 H444 L445 L450 L451 C452 L482 L486 | T436-H448 HydrophobicContact CG2-CB 4Å; H444-H448 WeakPolarHBondContact O-CB 3.35Å; H444-H448 PolarHBondContact O-N 3.34Å; L445-H448 PolarHBondContact O-N 3.47Å; H448-L450 VanDerWaalsContact C-N 3.32Å; H448-L450 PolarHBondContact O-N 2.86Å; H448-L451 PolarHBondContact O-N 3.28Å; H448-C452 PolarHBondContact O-N 3.46Å; H448-C452 PolarHBondContact O-SG 3.33Å; H448-L482 PolarHBondContact NE2-O 3.13Å; H448-L486 PolarHBondContact NE2-N 3.34Å |
| 449 | Q | 92.8 | Very high | 89.3 | Confident | 102 Ų | 102 | 34.2 Ų | 34.2 | 48% | 0.477 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 173.3 | -75.1 | 177 | -5 | 0 | 0 | 112 | L389 L445 W446 C452 L453 | L389-Q449 HydrophobicContact CD1-CB 4.42Å; L445-Q449 WeakPolarHBondContact O-CB 3.42Å; L445-Q449 VanDerWaalsContact O-CG 3.3Å; L445-Q449 WeakPolarHBondContact O-CG 3.28Å; L445-Q449 PolarHBondContact O-N 3.38Å; W446-Q449 PolarHBondContact O-N 2.88Å; Q449-C452 WeakPolarHBondContact O-CB 3.36Å; Q449-C452 PolarHBondContact O-N 2.85Å; Q449-L453 WeakPolarHBondContact O-CG 3.47Å; Q449-L453 PolarHBondContact O-N 3.21Å |
| 450 | L | 92.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.5 | -176.6 | 63 | 0 | 0 | 0 | 112.1 | L352 L389 L392 F421 L422 L425 W446 L447 H448 C452 L453 L454 | L352-L450 HydrophobicContact CD1-CD2 3.88Å; L352-L450 HydrophobicContact CD2-CD2 3.35Å; L352-L450 HydrophobicContact CG-CD2 4.26Å; L389-L450 HydrophobicContact CD2-CB 3.96Å; L389-L450 HydrophobicContact CD2-CD1 4.24Å; L392-L450 HydrophobicContact CD1-CD1 4.03Å; F421-L450 HydrophobicContact CE1-CD1 4.28Å; L422-L450 HydrophobicContact CD2-CD1 4.01Å; L425-L450 HydrophobicContact CD1-CD1 4.29Å; L425-L450 HydrophobicContact CD1-CD2 3.97Å; L425-L450 HydrophobicContact CD1-CG 4.46Å; W446-L450 WeakPolarHBondContact O-CB 3.2Å; W446-L450 PolarHBondContact O-N 2.93Å; L447-L450 PolarHBondContact O-N 3.17Å; H448-L450 VanDerWaalsContact C-N 3.32Å; H448-L450 PolarHBondContact O-N 2.86Å; L450-C452 VanDerWaalsContact C-N 3.3Å; L450-C452 PolarHBondContact O-N 3.25Å; L450-L453 PolarHBondContact O-N 3.07Å; L450-L454 VanDerWaalsContact O-CB 3.28Å; L450-L454 WeakPolarHBondContact O-CB 3.24Å; L450-L454 PolarHBondContact O-N 3.07Å |
| 451 | L | 94.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 174.6 | -74.7 | 174.1 | 0 | 0 | 0 | 111.7 | L432 T436 L447 H448 S455 T466 | L432-L451 HydrophobicContact CB-CD2 3.89Å; L432-L451 HydrophobicContact CD1-CD2 4.4Å; T436-L451 HydrophobicContact CG2-CD1 4.35Å; T436-L451 WeakPolarHBondContact OG1-CD1 3.47Å; L447-L451 WeakPolarHBondContact O-CG 3.28Å; L447-L451 PolarHBondContact O-N 3.3Å; H448-L451 PolarHBondContact O-N 3.28Å; L451-S455 VanDerWaalsContact O-CB 3.28Å; L451-S455 WeakPolarHBondContact O-CB 3.47Å; L451-S455 PolarHBondContact O-N 3.32Å; L451-S455 PolarHBondContact O-OG 3.18Å; L451-T466 HydrophobicContact CB-CG2 4.24Å; L451-T466 HydrophobicContact CD1-CG2 4.33Å; L451-T466 HydrophobicContact CD2-CG2 4Å; L451-T466 HydrophobicContact CG-CG2 4.42Å |
| 452 | C | 93 | Very high | 90.3 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 12% | 0.122 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -50.1 | 172.2 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | H448 Q449 L450 L454 S455 V456 L486 T489 | H448-C452 PolarHBondContact O-N 3.46Å; H448-C452 PolarHBondContact O-SG 3.33Å; Q449-C452 WeakPolarHBondContact O-CB 3.36Å; Q449-C452 PolarHBondContact O-N 2.85Å; L450-C452 VanDerWaalsContact C-N 3.3Å; L450-C452 PolarHBondContact O-N 3.25Å; C452-L454 PolarHBondContact O-N 2.9Å; C452-S455 PolarHBondContact O-N 3.06Å; C452-V456 WeakPolarHBondContact O-CG2 3.32Å; C452-V456 PolarHBondContact O-N 3.36Å; C452-L486 HydrophobicContact CB-CD1 4.27Å; C452-L486 WeakPolarHBondContact SG-CD1 3.49Å; C452-T489 PolarHBondContact SG-OG1 2.8Å |
| 453 | L | 91.9 | Very high | 90.8 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 178.5 | -68.7 | 174.3 | 0 | 0 | 0 | 112.5 | L389 L392 H393 V396 F397 Q449 L450 S455 V456 Y457 | L389-L453 HydrophobicContact CD2-CD1 4.3Å; L392-L453 HydrophobicContact CB-CD1 3.93Å; H393-L453 HydrophobicContact CB-CD1 4.42Å; H393-L453 HydrophobicContact CB-CD2 3.97Å; V396-L453 HydrophobicContact CB-CD2 4.44Å; F397-L453 HydrophobicContact CD2-CD2 4.28Å; F397-L453 HydrophobicContact CE2-CD2 3.76Å; Q449-L453 WeakPolarHBondContact O-CG 3.47Å; Q449-L453 PolarHBondContact O-N 3.21Å; L450-L453 PolarHBondContact O-N 3.07Å; L453-S455 VanDerWaalsContact C-N 3.33Å; L453-S455 PolarHBondContact O-N 3Å; L453-V456 PolarHBondContact O-N 3.46Å; L453-Y457 WeakPolarHBondContact O-CB 3.31Å; L453-Y457 PolarHBondContact O-N 2.74Å |
| 454 | L | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 177.5 | -175.5 | 61.5 | 0 | 0 | 0 | 111.5 | L422 L425 R426 V429 L432 L450 C452 G458 V462 | L422-L454 HydrophobicContact CB-CD1 4.24Å; L422-L454 HydrophobicContact CD2-CD1 4.36Å; L422-L454 VanDerWaalsContact O-CD1 3.32Å; L422-L454 WeakPolarHBondContact O-CD1 3.39Å; L425-L454 HydrophobicContact CB-CD1 4.36Å; L425-L454 HydrophobicContact CB-CD2 4.31Å; R426-L454 HydrophobicContact CG-CD1 3.86Å; V429-L454 HydrophobicContact CG2-CD2 3.77Å; L432-L454 HydrophobicContact CD1-CD2 4.35Å; L450-L454 VanDerWaalsContact O-CB 3.28Å; L450-L454 WeakPolarHBondContact O-CB 3.24Å; L450-L454 PolarHBondContact O-N 3.07Å; C452-L454 PolarHBondContact O-N 2.9Å; L454-G458 WeakPolarHBondContact O-CA 3.46Å; L454-G458 PolarHBondContact O-N 3.04Å; L454-V462 HydrophobicContact CG-CG1 4.17Å |
| 455 | S | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | L451 C452 L453 G459 | L451-S455 VanDerWaalsContact O-CB 3.28Å; L451-S455 WeakPolarHBondContact O-CB 3.47Å; L451-S455 PolarHBondContact O-N 3.32Å; L451-S455 PolarHBondContact O-OG 3.18Å; C452-S455 PolarHBondContact O-N 3.06Å; L453-S455 VanDerWaalsContact C-N 3.33Å; L453-S455 PolarHBondContact O-N 3Å; S455-G459 PolarHBondContact O-N 2.9Å |
| 456 | V | 90.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 24.1 Ų | 24.1 | 19% | 0.194 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -41.5 | 176 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | V396 F397 C452 L453 L490 | V396-V456 HydrophobicContact CG1-CB 3.91Å; V396-V456 HydrophobicContact CG1-CG1 3.5Å; F397-V456 HydrophobicContact CE1-CG1 4.16Å; F397-V456 HydrophobicContact CZ-CB 4.5Å; F397-V456 HydrophobicContact CZ-CG1 4.2Å; F397-V456 HydrophobicContact CZ-CG2 4.02Å; C452-V456 WeakPolarHBondContact O-CG2 3.32Å; C452-V456 PolarHBondContact O-N 3.36Å; L453-V456 PolarHBondContact O-N 3.46Å; V456-L490 HydrophobicContact CG2-CD2 3.58Å |
| 457 | Y | 89.1 | Confident | 91.7 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.5 | -40.6 | 176.7 | 174 | -99.8 | 0 | 0 | 0 | 113 | I419 L422 E423 R426 L453 G459 | I419-Y457 HydrophobicContact CB-CE2 4.04Å; I419-Y457 HydrophobicContact CD1-CD2 4.01Å; I419-Y457 HydrophobicContact CD1-CE2 4.1Å; I419-Y457 HydrophobicContact CG1-CD2 4.44Å; I419-Y457 HydrophobicContact CG1-CE2 4.02Å; I419-Y457 PolarHBondContact N-OH 3.15Å; L422-Y457 HydrophobicContact CB-CD1 3.62Å; L422-Y457 HydrophobicContact CB-CE1 3.81Å; L422-Y457 HydrophobicContact CB-CG 4.11Å; L422-Y457 HydrophobicContact CD1-CD1 4.18Å; L422-Y457 HydrophobicContact CD1-CD2 4.17Å; L422-Y457 HydrophobicContact CD1-CG 3.79Å; E423-Y457 VanDerWaalsContact OE2-CE1 3.27Å; E423-Y457 WeakPolarHBondContact OE2-CE1 3.27Å; E423-Y457 PolarHBondContact OE2-OH 3.21Å; R426-Y457 VanDerWaalsContact CZ-CE1 3.48Å; R426-Y457 VanDerWaalsContact NH2-CE1 3.32Å; R426-Y457 PolarHBondContact NH2-O 3.4Å; L453-Y457 WeakPolarHBondContact O-CB 3.31Å; L453-Y457 PolarHBondContact O-N 2.74Å; Y457-G459 VanDerWaalsContact C-N 3.32Å |
| 458 | G | 85.1 | Confident | 91.8 | Very high | 12 Ų | 12 | 23 Ų | 23 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.1 | -20.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | L454 | L454-G458 WeakPolarHBondContact O-CA 3.46Å; L454-G458 PolarHBondContact O-N 3.04Å |
| 459 | G | 88.7 | Confident | 91.8 | Very high | 18 Ų | 18 | 23.5 Ų | 23.5 | 19% | 0.186 | 14% | 0.141 | C | C | . | . | trans | 73.4 | -164.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S455 Y457 S461 V462 A463 | S455-G459 PolarHBondContact O-N 2.9Å; Y457-G459 VanDerWaalsContact C-N 3.32Å; G459-S461 VanDerWaalsContact C-N 3.31Å; G459-S461 PolarHBondContact O-N 3.15Å; G459-V462 PolarHBondContact O-N 3.35Å; G459-A463 PolarHBondContact O-N 3.26Å; G459-A463 VanDerWaalsContact O-N 3.15Å | ||
| 460 | P | 88.1 | Confident | 91.9 | Very high | 90 Ų | 90 | 18.7 Ų | 18.7 | 58% | 0.584 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -65.7 | -30 | -165.1 | 22.5 | -32.5 | 0 | 0 | 0 | 113.9 | T464 M494 | P460-T464 WeakPolarHBondContact O-CB 3.45Å; P460-T464 PolarHBondContact O-N 3.01Å; P460-T464 PolarHBondContact O-OG1 2.71Å; P460-M494 HydrophobicContact CB-CE 3.7Å; P460-M494 HydrophobicContact CG-CE 4.37Å; P460-M494 VanDerWaalsContact N-CE 3.28Å |
| 461 | S | 90.1 | Very high | 91.9 | Very high | 80 Ų | 80 | 18.8 Ų | 18.8 | 56% | 0.559 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -62.3 | -53.1 | 177.2 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | G459 T464 E465 | G459-S461 VanDerWaalsContact C-N 3.31Å; G459-S461 PolarHBondContact O-N 3.15Å; S461-T464 PolarHBondContact O-N 2.76Å; S461-E465 WeakPolarHBondContact O-CB 3.31Å; S461-E465 PolarHBondContact O-N 3.09Å |
| 462 | V | 91.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 7% | 0.073 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.3 | -40 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | V429 L454 G459 T464 E465 T466 | V429-V462 HydrophobicContact CG2-CG1 4.03Å; L454-V462 HydrophobicContact CG-CG1 4.17Å; G459-V462 PolarHBondContact O-N 3.35Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 3Å; V462-E465 PolarHBondContact O-N 2.8Å; V462-T466 VanDerWaalsContact O-CB 3.32Å; V462-T466 WeakPolarHBondContact O-CB 3.44Å; V462-T466 PolarHBondContact O-N 3.46Å; V462-T466 PolarHBondContact O-OG1 3.45Å |
| 463 | A | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G459 T466 L467 L490 M494 L497 | G459-A463 PolarHBondContact O-N 3.26Å; G459-A463 VanDerWaalsContact O-N 3.15Å; A463-T466 PolarHBondContact O-N 3.28Å; A463-L467 WeakPolarHBondContact O-CB 3.4Å; A463-L467 PolarHBondContact O-N 2.91Å; A463-L490 HydrophobicContact CB-CD1 4.14Å; A463-M494 HydrophobicContact CB-CE 4.18Å; A463-M494 HydrophobicContact CB-SD 3.84Å; A463-L497 HydrophobicContact CB-CD1 3.67Å |
| 464 | T | 93 | Very high | 92 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | P460 S461 V462 L467 C468 A500 A501 H504 | P460-T464 WeakPolarHBondContact O-CB 3.45Å; P460-T464 PolarHBondContact O-N 3.01Å; P460-T464 PolarHBondContact O-OG1 2.71Å; S461-T464 PolarHBondContact O-N 2.76Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 3Å; T464-L467 PolarHBondContact O-N 2.89Å; T464-C468 PolarHBondContact O-N 3.26Å; T464-A500 VanDerWaalsContact CG2-C 3.5Å; T464-A500 HydrophobicContact CG2-CB 4.09Å; T464-A500 WeakPolarHBondContact CG2-O 3.3Å; T464-A501 HydrophobicContact CG2-CB 4.24Å; T464-H504 HydrophobicContact CG2-CB 3.74Å |
| 465 | E | 93.2 | Very high | 92 | Very high | 71 Ų | 71 | 28.6 Ų | 28.6 | 33% | 0.332 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.9 | -175.8 | 178.7 | -176 | 0 | 0 | 111.1 | S461 V462 L467 C468 Q469 | S461-E465 WeakPolarHBondContact O-CB 3.31Å; S461-E465 PolarHBondContact O-N 3.09Å; V462-E465 PolarHBondContact O-N 2.8Å; E465-L467 PolarHBondContact O-N 2.77Å; E465-C468 PolarHBondContact O-N 2.72Å; E465-Q469 HydrophobicContact CG-CG 4.37Å; E465-Q469 VanDerWaalsContact O-CG 3.29Å; E465-Q469 WeakPolarHBondContact O-CG 3.38Å; E465-Q469 PolarHBondContact O-N 3.47Å |
| 466 | T | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -47.2 | 179 | -56.1 | 0 | 0 | 0 | 0 | 111 | V429 L451 V462 A463 Q469 L470 L486 | V429-T466 HydrophobicContact CG1-CG2 4.48Å; V429-T466 WeakPolarHBondContact CG1-OG1 3.33Å; L451-T466 HydrophobicContact CB-CG2 4.24Å; L451-T466 HydrophobicContact CD1-CG2 4.33Å; L451-T466 HydrophobicContact CD2-CG2 4Å; L451-T466 HydrophobicContact CG-CG2 4.42Å; V462-T466 VanDerWaalsContact O-CB 3.32Å; V462-T466 WeakPolarHBondContact O-CB 3.44Å; V462-T466 PolarHBondContact O-N 3.46Å; V462-T466 PolarHBondContact O-OG1 3.45Å; A463-T466 PolarHBondContact O-N 3.28Å; T466-Q469 PolarHBondContact O-N 3.25Å; T466-L470 WeakPolarHBondContact O-CG 3.16Å; T466-L470 PolarHBondContact O-N 3.5Å; T466-L486 HydrophobicContact CG2-CD2 3.64Å |
| 467 | L | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 178 | -172.3 | 61.4 | 0 | 0 | 0 | 111.6 | A463 T464 E465 Q469 L470 L471 A483 L497 V498 A501 | A463-L467 WeakPolarHBondContact O-CB 3.4Å; A463-L467 PolarHBondContact O-N 2.91Å; T464-L467 PolarHBondContact O-N 2.89Å; E465-L467 PolarHBondContact O-N 2.77Å; L467-Q469 PolarHBondContact O-N 2.99Å; L467-L470 PolarHBondContact O-N 3.01Å; L467-L471 HydrophobicContact CG-CD1 4.19Å; L467-L471 WeakPolarHBondContact O-CB 3.2Å; L467-L471 VanDerWaalsContact O-CG 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.25Å; L467-L471 PolarHBondContact O-N 3.18Å; L467-A483 HydrophobicContact CD1-CB 4Å; L467-L497 HydrophobicContact CD2-CD2 4.1Å; L467-L497 HydrophobicContact CD2-CG 3.91Å; L467-V498 HydrophobicContact CD2-CG2 4.43Å; L467-A501 HydrophobicContact CB-CB 4.22Å; L467-A501 HydrophobicContact CD2-CB 3.75Å; L467-A501 HydrophobicContact CG-CB 4.1Å |
| 468 | C | 93.8 | Very high | 92 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.6 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | T464 E465 L471 T472 C505 Q508 | T464-C468 PolarHBondContact O-N 3.26Å; E465-C468 PolarHBondContact O-N 2.72Å; C468-L471 PolarHBondContact O-N 2.92Å; C468-T472 WeakPolarHBondContact O-CB 3.2Å; C468-T472 WeakPolarHBondContact O-CG2 3.35Å; C468-T472 PolarHBondContact O-N 3.11Å; C468-T472 PolarHBondContact O-OG1 3.4Å; C468-C505 WeakPolarHBondContact CB-SG 3.34Å; C468-C505 VanDerWaalsContact SG-CA 3.59Å; C468-C505 WeakPolarHBondContact SG-CB 3.44Å; C468-C505 CovalentContact SG-SG 2.07Å; C468-C505 PolarHBondContact SG-SG 2.93Å; C468-Q508 PolarHBondContact SG-OE1 3.29Å |
| 469 | Q | 94 | Very high | 92.4 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 175 | -70.4 | -65.5 | -12.4 | 0 | 0 | 112.2 | A430 C433 E465 T466 L467 T472 Q473 | A430-Q469 HydrophobicContact CB-CG 4.48Å; C433-Q469 HydrophobicContact CB-CB 4.03Å; E465-Q469 HydrophobicContact CG-CG 4.37Å; E465-Q469 VanDerWaalsContact O-CG 3.29Å; E465-Q469 WeakPolarHBondContact O-CG 3.38Å; E465-Q469 PolarHBondContact O-N 3.47Å; T466-Q469 PolarHBondContact O-N 3.25Å; L467-Q469 PolarHBondContact O-N 2.99Å; Q469-T472 WeakPolarHBondContact CA-OG1 3.46Å; Q469-T472 PolarHBondContact O-N 3.35Å; Q469-T472 PolarHBondContact O-OG1 3Å; Q469-T472 VanDerWaalsContact O-OG1 3.06Å; Q469-Q473 WeakPolarHBondContact O-CB 3.25Å; Q469-Q473 VanDerWaalsContact O-CG 3.27Å; Q469-Q473 WeakPolarHBondContact O-CG 3.26Å; Q469-Q473 PolarHBondContact O-N 3.5Å; Q469-Q473 VanDerWaalsContact O-N 3.16Å |
| 470 | L | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.2 | -66.6 | 174.8 | 0 | 0 | 0 | 111.4 | C433 L437 T466 L467 T472 Q473 A474 A483 L486 | C433-L470 HydrophobicContact CB-CD2 3.95Å; L437-L470 HydrophobicContact CD1-CD2 4.18Å; L437-L470 HydrophobicContact CD2-CD2 3.91Å; L437-L470 HydrophobicContact CG-CD2 3.96Å; T466-L470 WeakPolarHBondContact O-CG 3.16Å; T466-L470 PolarHBondContact O-N 3.5Å; L467-L470 PolarHBondContact O-N 3.01Å; L470-T472 VanDerWaalsContact C-N 3.34Å; L470-T472 PolarHBondContact O-N 3.39Å; L470-Q473 PolarHBondContact O-N 3.23Å; L470-A474 WeakPolarHBondContact O-CB 3.5Å; L470-A474 PolarHBondContact O-N 3.07Å; L470-A483 HydrophobicContact CB-CB 3.91Å; L470-A483 HydrophobicContact CD1-CB 4.3Å; L470-L486 HydrophobicContact CD1-CB 4.47Å; L470-L486 HydrophobicContact CD1-CD2 3.7Å |
| 471 | L | 93.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.9 | -30.5 | 178.8 | -69.2 | 173.7 | 0 | 0 | 0 | 113.9 | L467 C468 L480 A483 W484 L522 N525 | L467-L471 HydrophobicContact CG-CD1 4.19Å; L467-L471 WeakPolarHBondContact O-CB 3.2Å; L467-L471 VanDerWaalsContact O-CG 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.25Å; L467-L471 PolarHBondContact O-N 3.18Å; C468-L471 PolarHBondContact O-N 2.92Å; L471-L480 HydrophobicContact CD2-CD1 3.76Å; L471-A483 HydrophobicContact CD2-CB 4.3Å; L471-W484 HydrophobicContact CD1-CH2 4.45Å; L471-W484 HydrophobicContact CD2-CH2 3.41Å; L471-W484 VanDerWaalsContact CD2-CH2 3.41Å; L471-W484 HydrophobicContact CD2-CZ2 3.75Å; L471-W484 HydrophobicContact CD2-CZ3 4.2Å; L471-W484 HydrophobicContact CG-CH2 4.49Å; L471-L522 HydrophobicContact CB-CD1 3.98Å; L471-N525 PolarHBondContact O-ND2 2.97Å |
| 472 | T | 93.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -85 | -21.7 | -179.9 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | C468 Q469 L470 L514 L522 | C468-T472 WeakPolarHBondContact O-CB 3.2Å; C468-T472 WeakPolarHBondContact O-CG2 3.35Å; C468-T472 PolarHBondContact O-N 3.11Å; C468-T472 PolarHBondContact O-OG1 3.4Å; Q469-T472 WeakPolarHBondContact CA-OG1 3.46Å; Q469-T472 PolarHBondContact O-N 3.35Å; Q469-T472 PolarHBondContact O-OG1 3Å; Q469-T472 VanDerWaalsContact O-OG1 3.06Å; L470-T472 VanDerWaalsContact C-N 3.34Å; L470-T472 PolarHBondContact O-N 3.39Å; T472-L514 HydrophobicContact CG2-CD1 4.46Å; T472-L514 HydrophobicContact CG2-CD2 3.62Å; T472-L522 HydrophobicContact CG2-CB 4.05Å; T472-L522 HydrophobicContact CG2-CD1 4.11Å; T472-L522 HydrophobicContact CG2-CD2 4.29Å; T472-L522 HydrophobicContact CG2-CG 4.37Å |
| 473 | Q | 93.2 | Very high | 92.9 | Very high | 40 Ų | 40 | 36.4 Ų | 36.4 | 19% | 0.187 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -107.4 | -26.8 | -173.7 | -63.1 | -178.2 | 25.1 | 0 | 0 | 114.4 | L437 Q469 L470 R475 | L437-Q473 HydrophobicContact CD1-CB 3.43Å; L437-Q473 VanDerWaalsContact CD1-CB 3.43Å; Q469-Q473 WeakPolarHBondContact O-CB 3.25Å; Q469-Q473 VanDerWaalsContact O-CG 3.27Å; Q469-Q473 WeakPolarHBondContact O-CG 3.26Å; Q469-Q473 PolarHBondContact O-N 3.5Å; Q469-Q473 VanDerWaalsContact O-N 3.16Å; L470-Q473 PolarHBondContact O-N 3.23Å; Q473-R475 WeakPolarHBondContact O-CG 3.32Å; Q473-R475 PolarHBondContact O-N 3.09Å |
| 474 | A | 93.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -61.4 | 125.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L437 L470 E479 L480 Q521 N525 | L437-A474 HydrophobicContact CD2-CB 4.1Å; L470-A474 WeakPolarHBondContact O-CB 3.5Å; L470-A474 PolarHBondContact O-N 3.07Å; A474-E479 WeakPolarHBondContact CA-OE2 3.38Å; A474-E479 HydrophobicContact CB-CB 3.79Å; A474-L480 HydrophobicContact CB-CB 4.38Å; A474-Q521 WeakPolarHBondContact O-CG 3.48Å; A474-Q521 PolarHBondContact O-NE2 3.47Å; A474-N525 PolarHBondContact O-ND2 2.68Å; A474-N525 PolarHBondContact O-OD1 3.44Å | ||
| 475 | R | 92.4 | Very high | 92.7 | Very high | 193 Ų | 193 | 42.3 Ų | 42.3 | 73% | 0.728 | 21% | 0.208 | S | C | * | . | trans | -101.7 | -26.3 | -177.4 | -60.3 | -177.5 | -177.3 | -179.9 | 2.6 | 113 | Q473 E479 | Q473-R475 WeakPolarHBondContact O-CG 3.32Å; Q473-R475 PolarHBondContact O-N 3.09Å; R475-E479 PolarHBondContact N-OE2 3.24Å | ||
| 476 | N | 91.5 | Very high | 92.7 | Very high | 85 Ų | 85 | 39 Ų | 39 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -121.5 | 158.4 | -170 | -62.7 | 17 | 0 | 0 | 0 | 110.5 | E478 E479 L480 | N476-E478 VanDerWaalsContact C-N 3.28Å; N476-E478 PolarHBondContact O-N 3.35Å; N476-E479 HydrophobicContact CB-CB 4.44Å; N476-E479 HydrophobicContact CB-CG 4.31Å; N476-E479 WeakPolarHBondContact O-CB 3.35Å; N476-E479 PolarHBondContact O-N 3.46Å; N476-L480 PolarHBondContact O-N 3.16Å |
| 477 | P | 89.9 | Confident | 92.6 | Very high | 108 Ų | 108 | 39.8 Ų | 39.8 | 70% | 0.701 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.4 | -31.8 | 179 | 25 | -34.4 | 0 | 0 | 0 | 113.2 | L480 A481 | P477-L480 PolarHBondContact O-N 3.47Å; P477-A481 WeakPolarHBondContact O-CB 3.35Å; P477-A481 PolarHBondContact O-N 3.02Å |
| 478 | E | 89.9 | Confident | 92.4 | Very high | 135 Ų | 135 | 42.7 Ų | 42.7 | 63% | 0.631 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.1 | -44 | 175.2 | -64.4 | 179 | -178.5 | 0 | 0 | 111.8 | L439 N476 L480 A481 L482 | L439-E478 HydrophobicContact CD1-CB 3.82Å; N476-E478 VanDerWaalsContact C-N 3.28Å; N476-E478 PolarHBondContact O-N 3.35Å; E478-L480 VanDerWaalsContact C-N 3.33Å; E478-L480 PolarHBondContact O-N 3.37Å; E478-A481 WeakPolarHBondContact O-CB 3.47Å; E478-A481 PolarHBondContact O-N 2.9Å; E478-L482 PolarHBondContact O-N 3.39Å |
| 479 | E | 93.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 46 Ų | 46 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 173.7 | -75.5 | 175.7 | -141.4 | 0 | 0 | 111.6 | L437 L439 A474 R475 N476 A481 L482 | L437-E479 HydrophobicContact CB-CG 4.38Å; L437-E479 HydrophobicContact CD2-CB 3.74Å; L437-E479 HydrophobicContact CD2-CG 4.08Å; L437-E479 WeakPolarHBondContact O-CG 3.37Å; L439-E479 HydrophobicContact CD1-CG 3.84Å; L439-E479 HydrophobicContact CG-CG 4.17Å; A474-E479 WeakPolarHBondContact CA-OE2 3.38Å; A474-E479 HydrophobicContact CB-CB 3.79Å; R475-E479 PolarHBondContact N-OE2 3.24Å; N476-E479 HydrophobicContact CB-CB 4.44Å; N476-E479 HydrophobicContact CB-CG 4.31Å; N476-E479 WeakPolarHBondContact O-CB 3.35Å; N476-E479 PolarHBondContact O-N 3.46Å; E479-A481 VanDerWaalsContact C-N 3.31Å; E479-A481 PolarHBondContact O-N 2.9Å; E479-L482 WeakPolarHBondContact O-CB 3.21Å; E479-L482 PolarHBondContact O-N 3.31Å |
| 480 | L | 91.9 | Very high | 92 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -32.2 | 176.1 | -175.1 | 60.6 | 0 | 0 | 0 | 112 | L471 A474 N476 P477 E478 L482 A483 W484 N525 A528 | L471-L480 HydrophobicContact CD2-CD1 3.76Å; A474-L480 HydrophobicContact CB-CB 4.38Å; N476-L480 PolarHBondContact O-N 3.16Å; P477-L480 PolarHBondContact O-N 3.47Å; E478-L480 VanDerWaalsContact C-N 3.33Å; E478-L480 PolarHBondContact O-N 3.37Å; L480-L482 PolarHBondContact O-N 3.31Å; L480-A483 WeakPolarHBondContact O-CB 3.44Å; L480-A483 PolarHBondContact O-N 3.3Å; L480-A483 VanDerWaalsContact O-N 3.13Å; L480-W484 HydrophobicContact CD1-CZ2 3.82Å; L480-W484 HydrophobicContact CG-CZ2 4.28Å; L480-W484 PolarHBondContact O-N 2.85Å; L480-N525 HydrophobicContact CD1-CB 3.93Å; L480-N525 HydrophobicContact CD2-CB 4.38Å; L480-A528 HydrophobicContact CD2-CB 4.13Å |
| 481 | A | 91.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.1 | -32.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | P477 E478 E479 A483 W484 Q485 | P477-A481 WeakPolarHBondContact O-CB 3.35Å; P477-A481 PolarHBondContact O-N 3.02Å; E478-A481 WeakPolarHBondContact O-CB 3.47Å; E478-A481 PolarHBondContact O-N 2.9Å; E479-A481 VanDerWaalsContact C-N 3.31Å; E479-A481 PolarHBondContact O-N 2.9Å; A481-A483 VanDerWaalsContact C-N 3.28Å; A481-A483 PolarHBondContact O-N 3.4Å; A481-W484 PolarHBondContact O-N 3.31Å; A481-W484 VanDerWaalsContact O-N 3.14Å; A481-Q485 WeakPolarHBondContact O-CG 3.5Å; A481-Q485 PolarHBondContact O-N 3.29Å |
| 482 | L | 92.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 174.8 | -63.4 | -179.1 | 0 | 0 | 0 | 112.5 | T436 L439 H448 E478 E479 L480 W484 Q485 L486 | T436-L482 HydrophobicContact CG2-CD1 4.04Å; L439-L482 HydrophobicContact CD2-CD1 3.63Å; L439-L482 HydrophobicContact CD2-CG 4.36Å; H448-L482 PolarHBondContact NE2-O 3.13Å; E478-L482 PolarHBondContact O-N 3.39Å; E479-L482 WeakPolarHBondContact O-CB 3.21Å; E479-L482 PolarHBondContact O-N 3.31Å; L480-L482 PolarHBondContact O-N 3.31Å; L482-W484 VanDerWaalsContact C-N 3.34Å; L482-Q485 PolarHBondContact O-N 3.32Å; L482-L486 WeakPolarHBondContact O-CB 3.19Å; L482-L486 PolarHBondContact O-N 3.4Å |
| 483 | A | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L467 L470 L471 L480 A481 L486 H487 | L467-A483 HydrophobicContact CD1-CB 4Å; L470-A483 HydrophobicContact CB-CB 3.91Å; L470-A483 HydrophobicContact CD1-CB 4.3Å; L471-A483 HydrophobicContact CD2-CB 4.3Å; L480-A483 WeakPolarHBondContact O-CB 3.44Å; L480-A483 PolarHBondContact O-N 3.3Å; L480-A483 VanDerWaalsContact O-N 3.13Å; A481-A483 VanDerWaalsContact C-N 3.28Å; A481-A483 PolarHBondContact O-N 3.4Å; A483-L486 WeakPolarHBondContact O-CB 3.43Å; A483-L486 PolarHBondContact O-N 3.42Å; A483-H487 PolarHBondContact O-N 3.32Å |
| 484 | W | 91.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 55 Ų | 55 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.9 | -34.2 | 178.1 | -52.5 | 135.9 | 0 | 0 | 0 | 113 | L471 L480 A481 L482 L486 H487 A488 A529 M534 I538 | L471-W484 HydrophobicContact CD1-CH2 4.45Å; L471-W484 HydrophobicContact CD2-CH2 3.41Å; L471-W484 VanDerWaalsContact CD2-CH2 3.41Å; L471-W484 HydrophobicContact CD2-CZ2 3.75Å; L471-W484 HydrophobicContact CD2-CZ3 4.2Å; L471-W484 HydrophobicContact CG-CH2 4.49Å; L480-W484 HydrophobicContact CD1-CZ2 3.82Å; L480-W484 HydrophobicContact CG-CZ2 4.28Å; L480-W484 PolarHBondContact O-N 2.85Å; A481-W484 PolarHBondContact O-N 3.31Å; A481-W484 VanDerWaalsContact O-N 3.14Å; L482-W484 VanDerWaalsContact C-N 3.34Å; W484-L486 VanDerWaalsContact C-N 3.34Å; W484-H487 PolarHBondContact O-N 3.45Å; W484-A488 WeakPolarHBondContact O-CB 3.5Å; W484-A488 PolarHBondContact O-N 3.47Å; W484-A529 HydrophobicContact CH2-CB 4.03Å; W484-A529 HydrophobicContact CZ2-CB 3.35Å; W484-M534 HydrophobicContact CB-CG 4.44Å; W484-M534 HydrophobicContact CD2-CG 3.91Å; W484-M534 HydrophobicContact CE3-CE 4.19Å; W484-M534 HydrophobicContact CE3-CG 4.13Å; W484-M534 HydrophobicContact CG-CG 4.02Å; W484-I538 HydrophobicContact CE3-CD1 4.41Å; W484-I538 HydrophobicContact CH2-CD1 3.2Å; W484-I538 HydrophobicContact CH2-CG1 4.24Å; W484-I538 HydrophobicContact CZ2-CD1 3.63Å; W484-I538 HydrophobicContact CZ3-CD1 3.66Å; W484-I538 HydrophobicContact CZ3-CG1 4.43Å |
| 485 | Q | 92 | Very high | 90 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 169.9 | -72 | 173.4 | -4.8 | 0 | 0 | 111 | A481 L482 A488 T489 | A481-Q485 WeakPolarHBondContact O-CG 3.5Å; A481-Q485 PolarHBondContact O-N 3.29Å; L482-Q485 PolarHBondContact O-N 3.32Å; Q485-A488 PolarHBondContact O-N 2.87Å; Q485-T489 WeakPolarHBondContact O-CG2 3.01Å; Q485-T489 PolarHBondContact O-N 3.37Å; Q485-T489 VanDerWaalsContact O-N 3.07Å; Q485-T489 PolarHBondContact O-OG1 3.48Å |
| 486 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.4 | -51.7 | 173.5 | -179.4 | 70 | 0 | 0 | 0 | 110.2 | H448 C452 T466 L470 L482 A483 W484 A488 T489 L490 | H448-L486 PolarHBondContact NE2-N 3.34Å; C452-L486 HydrophobicContact CB-CD1 4.27Å; C452-L486 WeakPolarHBondContact SG-CD1 3.49Å; T466-L486 HydrophobicContact CG2-CD2 3.64Å; L470-L486 HydrophobicContact CD1-CB 4.47Å; L470-L486 HydrophobicContact CD1-CD2 3.7Å; L482-L486 WeakPolarHBondContact O-CB 3.19Å; L482-L486 PolarHBondContact O-N 3.4Å; A483-L486 WeakPolarHBondContact O-CB 3.43Å; A483-L486 PolarHBondContact O-N 3.42Å; W484-L486 VanDerWaalsContact C-N 3.34Å; L486-A488 VanDerWaalsContact C-N 3.35Å; L486-A488 PolarHBondContact O-N 2.69Å; L486-T489 PolarHBondContact O-N 3.27Å; L486-T489 PolarHBondContact O-OG1 3.43Å; L486-L490 HydrophobicContact CD1-CD1 3.77Å; L486-L490 HydrophobicContact CD1-CG 4.21Å; L486-L490 HydrophobicContact CD2-CD1 4.43Å; L486-L490 HydrophobicContact CG-CD1 3.78Å; L486-L490 HydrophobicContact CG-CG 4.43Å; L486-L490 WeakPolarHBondContact O-CG 3.46Å; L486-L490 PolarHBondContact O-N 3.01Å |
| 487 | H | 91.5 | Very high | 89.8 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 177.3 | 177.4 | 69.2 | 0 | 0 | 0 | 112.9 | A483 W484 T489 L490 S491 V498 M534 Q537 | A483-H487 PolarHBondContact O-N 3.32Å; W484-H487 PolarHBondContact O-N 3.45Å; H487-T489 VanDerWaalsContact C-N 3.33Å; H487-T489 PolarHBondContact O-N 3.19Å; H487-L490 PolarHBondContact O-N 3.08Å; H487-S491 WeakPolarHBondContact O-CB 3.34Å; H487-S491 PolarHBondContact O-N 3.38Å; H487-S491 PolarHBondContact O-OG 2.89Å; H487-V498 VanDerWaalsContact CE1-CG2 3.46Å; H487-V498 WeakPolarHBondContact CE1-CG2 3.35Å; H487-M534 WeakPolarHBondContact CD2-CE 3.28Å; H487-Q537 PolarHBondContact NE2-OE1 2.91Å |
| 488 | A | 90.3 | Very high | 89.9 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | W484 Q485 L486 S491 | W484-A488 WeakPolarHBondContact O-CB 3.5Å; W484-A488 PolarHBondContact O-N 3.47Å; Q485-A488 PolarHBondContact O-N 2.87Å; L486-A488 VanDerWaalsContact C-N 3.35Å; L486-A488 PolarHBondContact O-N 2.69Å; A488-S491 PolarHBondContact O-OG 3.37Å |
| 489 | T | 89.2 | Confident | 90 | Very high | 70 Ų | 70 | 41.5 Ų | 41.5 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 177.6 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | C452 Q485 L486 H487 S492 | C452-T489 PolarHBondContact SG-OG1 2.8Å; Q485-T489 WeakPolarHBondContact O-CG2 3.01Å; Q485-T489 PolarHBondContact O-N 3.37Å; Q485-T489 VanDerWaalsContact O-N 3.07Å; Q485-T489 PolarHBondContact O-OG1 3.48Å; L486-T489 PolarHBondContact O-N 3.27Å; L486-T489 PolarHBondContact O-OG1 3.43Å; H487-T489 VanDerWaalsContact C-N 3.33Å; H487-T489 PolarHBondContact O-N 3.19Å; T489-S492 PolarHBondContact O-OG 3.43Å; T489-S492 VanDerWaalsContact O-OG 3.11Å |
| 490 | L | 89.8 | Confident | 90 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -84 | -24 | -176.8 | -63.7 | 179.4 | 0 | 0 | 0 | 113.5 | V456 A463 L486 H487 S492 C493 M494 L497 | V456-L490 HydrophobicContact CG2-CD2 3.58Å; A463-L490 HydrophobicContact CB-CD1 4.14Å; L486-L490 HydrophobicContact CD1-CD1 3.77Å; L486-L490 HydrophobicContact CD1-CG 4.21Å; L486-L490 HydrophobicContact CD2-CD1 4.43Å; L486-L490 HydrophobicContact CG-CD1 3.78Å; L486-L490 HydrophobicContact CG-CG 4.43Å; L486-L490 WeakPolarHBondContact O-CG 3.46Å; L486-L490 PolarHBondContact O-N 3.01Å; H487-L490 PolarHBondContact O-N 3.08Å; L490-S492 PolarHBondContact O-N 3.25Å; L490-S492 VanDerWaalsContact O-N 3.15Å; L490-C493 PolarHBondContact O-N 2.97Å; L490-M494 PolarHBondContact O-N 3.22Å; L490-L497 HydrophobicContact CB-CD2 4.06Å; L490-L497 HydrophobicContact CD1-CD2 3.91Å |
| 491 | S | 87.3 | Confident | 90.1 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 43% | 0.427 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.3 | -176.8 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | H487 A488 | H487-S491 WeakPolarHBondContact O-CB 3.34Å; H487-S491 PolarHBondContact O-N 3.38Å; H487-S491 PolarHBondContact O-OG 2.89Å; A488-S491 PolarHBondContact O-OG 3.37Å |
| 492 | S | 85.9 | Confident | 90.2 | Very high | 101 Ų | 101 | 40.2 Ų | 40.2 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -28.1 | 174 | 61 | 0 | 0 | 0 | 0 | 112.9 | T489 L490 | T489-S492 PolarHBondContact O-OG 3.43Å; T489-S492 VanDerWaalsContact O-OG 3.11Å; L490-S492 PolarHBondContact O-N 3.25Å; L490-S492 VanDerWaalsContact O-N 3.15Å |
| 493 | C | 82.8 | Confident | 90.3 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 46% | 0.459 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -22.5 | -175.9 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | L490 | L490-C493 PolarHBondContact O-N 2.97Š|
| 494 | M | 85.6 | Confident | 90.4 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 16% | 0.163 | 30% | 0.301 | C | S | . | . | trans | -143.5 | 124.3 | -167.8 | -45.5 | -174.1 | 74.2 | 0 | 0 | 111.2 | P460 A463 L490 | P460-M494 HydrophobicContact CB-CE 3.7Å; P460-M494 HydrophobicContact CG-CE 4.37Å; P460-M494 VanDerWaalsContact N-CE 3.28Å; A463-M494 HydrophobicContact CB-CE 4.18Å; A463-M494 HydrophobicContact CB-SD 3.84Å; L490-M494 PolarHBondContact O-N 3.22Å | ||
| 495 | A | 86.4 | Confident | 90.5 | Very high | 108 Ų | 108 | 43.4 Ų | 43.4 | 89% | 0.893 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -87.5 | 145.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L497 | A495-L497 PolarHBondContact O-N 2.95Š|
| 496 | G | 87.6 | Confident | 90.6 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 49% | 0.485 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 76.1 | 18.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | V498 P499 A500 | G496-V498 PolarHBondContact O-N 3.31Å; G496-P499 WeakPolarHBondContact O-CD 3.44Å; G496-A500 PolarHBondContact O-N 3.15Å; G496-A500 VanDerWaalsContact O-N 3.15Å |
| 497 | L | 90.9 | Very high | 90.6 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | -178.3 | -176.1 | 63.6 | 0 | 0 | 0 | 113.5 | A463 L467 L490 A495 A500 A501 | A463-L497 HydrophobicContact CB-CD1 3.67Å; L467-L497 HydrophobicContact CD2-CD2 4.1Å; L467-L497 HydrophobicContact CD2-CG 3.91Å; L490-L497 HydrophobicContact CB-CD2 4.06Å; L490-L497 HydrophobicContact CD1-CD2 3.91Å; A495-L497 PolarHBondContact O-N 2.95Å; L497-A500 PolarHBondContact O-N 2.99Å; L497-A501 WeakPolarHBondContact O-CB 3.3Å; L497-A501 PolarHBondContact O-N 3.48Å |
| 498 | V | 92.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -51 | -179.3 | 168.2 | 0 | 0 | 0 | 0 | 112.1 | L467 H487 G496 A500 A501 V502 M534 I538 A541 | L467-V498 HydrophobicContact CD2-CG2 4.43Å; H487-V498 VanDerWaalsContact CE1-CG2 3.46Å; H487-V498 WeakPolarHBondContact CE1-CG2 3.35Å; G496-V498 PolarHBondContact O-N 3.31Å; V498-A500 VanDerWaalsContact C-N 3.32Å; V498-A500 PolarHBondContact O-N 3.4Å; V498-A501 PolarHBondContact O-N 3.01Å; V498-V502 WeakPolarHBondContact O-CG2 3.24Å; V498-V502 PolarHBondContact O-N 3.18Å; V498-M534 HydrophobicContact CG2-CE 4.45Å; V498-I538 HydrophobicContact CG1-CG1 3.89Å; V498-A541 HydrophobicContact CG1-CB 4.06Å |
| 499 | P | 92.9 | Very high | 90.8 | Very high | 68 Ų | 68 | 39.7 Ų | 39.7 | 44% | 0.442 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.1 | -44.1 | 171.9 | -28.2 | 33.6 | 0 | 0 | 0 | 113.8 | G496 A501 V502 A503 A541 | G496-P499 WeakPolarHBondContact O-CD 3.44Å; P499-A501 PolarHBondContact O-N 2.62Å; P499-V502 PolarHBondContact O-N 3.35Å; P499-A503 WeakPolarHBondContact O-CB 3.36Å; P499-A503 PolarHBondContact O-N 2.79Å; P499-A541 HydrophobicContact CB-CB 4.46Å; P499-A541 HydrophobicContact CG-CB 4.35Å |
| 500 | A | 93 | Very high | 90.8 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T464 G496 L497 V498 A503 H504 | T464-A500 VanDerWaalsContact CG2-C 3.5Å; T464-A500 HydrophobicContact CG2-CB 4.09Å; T464-A500 WeakPolarHBondContact CG2-O 3.3Å; G496-A500 PolarHBondContact O-N 3.15Å; G496-A500 VanDerWaalsContact O-N 3.15Å; L497-A500 PolarHBondContact O-N 2.99Å; V498-A500 VanDerWaalsContact C-N 3.32Å; V498-A500 PolarHBondContact O-N 3.4Å; A500-A503 PolarHBondContact O-N 2.99Å; A500-H504 WeakPolarHBondContact O-CB 3.27Å; A500-H504 PolarHBondContact O-N 3.42Å |
| 501 | A | 93.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | T464 L467 L497 V498 P499 H504 C505 | T464-A501 HydrophobicContact CG2-CB 4.24Å; L467-A501 HydrophobicContact CB-CB 4.22Å; L467-A501 HydrophobicContact CD2-CB 3.75Å; L467-A501 HydrophobicContact CG-CB 4.1Å; L497-A501 WeakPolarHBondContact O-CB 3.3Å; L497-A501 PolarHBondContact O-N 3.48Å; V498-A501 PolarHBondContact O-N 3.01Å; P499-A501 PolarHBondContact O-N 2.62Å; A501-H504 PolarHBondContact O-N 2.81Å; A501-C505 PolarHBondContact O-N 2.95Å; A501-C505 PolarHBondContact O-SG 3.31Å |
| 502 | V | 94.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | V498 P499 H504 C505 V506 L526 A541 V542 F549 | V498-V502 WeakPolarHBondContact O-CG2 3.24Å; V498-V502 PolarHBondContact O-N 3.18Å; P499-V502 PolarHBondContact O-N 3.35Å; V502-H504 VanDerWaalsContact C-N 3.32Å; V502-H504 PolarHBondContact O-N 3.36Å; V502-C505 PolarHBondContact O-N 3.36Å; V502-V506 HydrophobicContact CG1-CG2 4.46Å; V502-V506 VanDerWaalsContact O-CG2 3.32Å; V502-V506 WeakPolarHBondContact O-CG2 3.32Å; V502-V506 PolarHBondContact O-N 3.47Å; V502-L526 HydrophobicContact CG2-CD2 4.47Å; V502-A541 HydrophobicContact CB-CB 4.15Å; V502-A541 HydrophobicContact CG2-CB 3.86Å; V502-V542 HydrophobicContact CG1-CG2 4.48Å; V502-F549 HydrophobicContact CG1-CZ 4.46Å |
| 503 | A | 94.4 | Very high | 91 | Very high | 40 Ų | 40 | 50 Ų | 50 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P499 A500 V506 A507 | P499-A503 WeakPolarHBondContact O-CB 3.36Å; P499-A503 PolarHBondContact O-N 2.79Å; A500-A503 PolarHBondContact O-N 2.99Å; A503-V506 PolarHBondContact O-N 2.76Å; A503-A507 PolarHBondContact O-N 3.16Å |
| 504 | H | 93.8 | Very high | 91.2 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 174.5 | -171.6 | -45.9 | 0 | 0 | 0 | 111.6 | T464 A500 A501 V502 V506 A507 Q508 | T464-H504 HydrophobicContact CG2-CB 3.74Å; A500-H504 WeakPolarHBondContact O-CB 3.27Å; A500-H504 PolarHBondContact O-N 3.42Å; A501-H504 PolarHBondContact O-N 2.81Å; V502-H504 VanDerWaalsContact C-N 3.32Å; V502-H504 PolarHBondContact O-N 3.36Å; H504-V506 VanDerWaalsContact C-N 3.27Å; H504-V506 PolarHBondContact O-N 2.84Å; H504-A507 PolarHBondContact O-N 3.42Å; H504-Q508 PolarHBondContact CE1-NE2 3.35Å; H504-Q508 WeakPolarHBondContact O-CG 3.44Å; H504-Q508 PolarHBondContact O-N 3.49Å |
| 505 | C | 94.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.8 | -33.1 | 178.3 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | C468 A501 V502 Q508 I509 L522 | C468-C505 WeakPolarHBondContact CB-SG 3.34Å; C468-C505 VanDerWaalsContact SG-CA 3.59Å; C468-C505 WeakPolarHBondContact SG-CB 3.44Å; C468-C505 CovalentContact SG-SG 2.07Å; C468-C505 PolarHBondContact SG-SG 2.93Å; A501-C505 PolarHBondContact O-N 2.95Å; A501-C505 PolarHBondContact O-SG 3.31Å; V502-C505 PolarHBondContact O-N 3.36Å; C505-Q508 WeakPolarHBondContact O-CB 3.47Å; C505-Q508 PolarHBondContact O-N 2.88Å; C505-I509 VanDerWaalsContact O-CG1 3.31Å; C505-I509 WeakPolarHBondContact O-CG1 3.2Å; C505-I509 PolarHBondContact O-N 3.49Å; C505-L522 HydrophobicContact CB-CD1 4.26Å; C505-L522 HydrophobicContact CB-CD2 3.75Å |
| 506 | V | 94.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 171.2 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | V502 A503 H504 Q508 I509 H510 H545 D548 F549 | V502-V506 HydrophobicContact CG1-CG2 4.46Å; V502-V506 VanDerWaalsContact O-CG2 3.32Å; V502-V506 WeakPolarHBondContact O-CG2 3.32Å; V502-V506 PolarHBondContact O-N 3.47Å; A503-V506 PolarHBondContact O-N 2.76Å; H504-V506 VanDerWaalsContact C-N 3.27Å; H504-V506 PolarHBondContact O-N 2.84Å; V506-Q508 PolarHBondContact O-N 3.26Å; V506-I509 WeakPolarHBondContact O-CB 3.14Å; V506-I509 PolarHBondContact O-N 2.99Å; V506-I509 VanDerWaalsContact O-N 3.07Å; V506-H510 PolarHBondContact O-CD2 3.44Å; V506-H510 VanDerWaalsContact O-CD2 3.28Å; V506-H510 PolarHBondContact O-N 2.9Å; V506-H545 HydrophobicContact CG2-CB 3.89Å; V506-D548 HydrophobicContact CG1-CB 3.67Å; V506-D548 VanDerWaalsContact CG1-CG 3.49Å; V506-D548 HydrophobicContact CG2-CB 4.39Å; V506-F549 HydrophobicContact CG2-CE1 4.36Å; V506-F549 HydrophobicContact CG2-CE2 4.2Å; V506-F549 HydrophobicContact CG2-CZ 3.8Å |
| 507 | A | 93.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 55.2 Ų | 55.2 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A503 H504 H510 T511 | A503-A507 PolarHBondContact O-N 3.16Å; H504-A507 PolarHBondContact O-N 3.42Å; A507-H510 PolarHBondContact O-N 3.22Å; A507-T511 WeakPolarHBondContact O-CB 3.29Å; A507-T511 VanDerWaalsContact O-CG2 3.31Å; A507-T511 WeakPolarHBondContact O-CG2 3.23Å; A507-T511 PolarHBondContact O-N 3.29Å; A507-T511 PolarHBondContact O-OG1 2.88Å |
| 508 | Q | 92.4 | Very high | 91.9 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 174.1 | -73.5 | -178.6 | -30.6 | 0 | 0 | 113.5 | C468 H504 C505 V506 T511 H512 T513 L514 | C468-Q508 PolarHBondContact SG-OE1 3.29Å; H504-Q508 PolarHBondContact CE1-NE2 3.35Å; H504-Q508 WeakPolarHBondContact O-CG 3.44Å; H504-Q508 PolarHBondContact O-N 3.49Å; C505-Q508 WeakPolarHBondContact O-CB 3.47Å; C505-Q508 PolarHBondContact O-N 2.88Å; V506-Q508 PolarHBondContact O-N 3.26Å; Q508-T511 VanDerWaalsContact CA-OG1 3.31Å; Q508-T511 WeakPolarHBondContact CA-OG1 3.29Å; Q508-T511 PolarHBondContact O-OG1 2.94Å; Q508-H512 PolarHBondContact O-N 3.44Å; Q508-T513 VanDerWaalsContact CA-OG1 3.32Å; Q508-T513 WeakPolarHBondContact CA-OG1 3.39Å; Q508-T513 WeakPolarHBondContact CB-OG1 3.4Å; Q508-T513 WeakPolarHBondContact CG-OG1 3.26Å; Q508-T513 PolarHBondContact O-N 2.07Å; Q508-T513 VanDerWaalsContact O-N 3.14Å; Q508-T513 PolarHBondContact O-OG1 3.25Å; Q508-L514 HydrophobicContact CB-CD1 3.53Å; Q508-L514 HydrophobicContact CB-CG 3.82Å |
| 509 | I | 92.3 | Very high | 92 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.087 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 173 | -68.9 | 164.4 | 0 | 0 | 0 | 110 | C505 V506 T511 H512 L514 L519 L522 F549 L552 | C505-I509 VanDerWaalsContact O-CG1 3.31Å; C505-I509 WeakPolarHBondContact O-CG1 3.2Å; C505-I509 PolarHBondContact O-N 3.49Å; V506-I509 WeakPolarHBondContact O-CB 3.14Å; V506-I509 PolarHBondContact O-N 2.99Å; V506-I509 VanDerWaalsContact O-N 3.07Å; I509-T511 VanDerWaalsContact C-N 3.34Å; I509-T511 PolarHBondContact O-N 2.99Å; I509-H512 PolarHBondContact O-N 3.06Å; I509-L514 HydrophobicContact CG1-CD1 4.24Å; I509-L519 HydrophobicContact CD1-CD1 3.85Å; I509-L519 HydrophobicContact CG1-CD1 3.66Å; I509-L522 HydrophobicContact CD1-CD2 4.36Å; I509-F549 HydrophobicContact CD1-CD1 4.34Å; I509-F549 HydrophobicContact CD1-CE1 3.84Å; I509-L552 HydrophobicContact CD1-CD1 4.23Å; I509-L552 HydrophobicContact CG2-CD1 4.43Å; I509-L552 HydrophobicContact CG2-CD2 4.05Å |
| 510 | H | 90.4 | Very high | 92.1 | Very high | 107 Ų | 107 | 60.6 Ų | 60.6 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | -179.8 | -71 | -52.7 | 0 | 0 | 0 | 113.4 | V506 A507 H512 D548 | V506-H510 PolarHBondContact O-CD2 3.44Å; V506-H510 VanDerWaalsContact O-CD2 3.28Å; V506-H510 PolarHBondContact O-N 2.9Å; A507-H510 PolarHBondContact O-N 3.22Å; H510-H512 VanDerWaalsContact C-N 3.27Å; H510-H512 PolarHBondContact O-N 3.14Å; H510-D548 IonicContact CD2-OD1 3.88Å; H510-D548 IonicContact CE1-OD1 3.91Å; H510-D548 PolarHBondContact CE1-OD1 3.24Å; H510-D548 IonicContact NE2-OD1 3.05Å; H510-D548 PolarHBondContact NE2-OD1 3.48Å |
| 511 | T | 91.6 | Very high | 92.2 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 54% | 0.54 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -0.5 | 176.9 | 54 | 0 | 0 | 0 | 0 | 113.5 | A507 Q508 I509 T513 | A507-T511 WeakPolarHBondContact O-CB 3.29Å; A507-T511 VanDerWaalsContact O-CG2 3.31Å; A507-T511 WeakPolarHBondContact O-CG2 3.23Å; A507-T511 PolarHBondContact O-N 3.29Å; A507-T511 PolarHBondContact O-OG1 2.88Å; Q508-T511 VanDerWaalsContact CA-OG1 3.31Å; Q508-T511 WeakPolarHBondContact CA-OG1 3.29Å; Q508-T511 PolarHBondContact O-OG1 2.94Å; I509-T511 VanDerWaalsContact C-N 3.34Å; I509-T511 PolarHBondContact O-N 2.99Å; T511-T513 PolarHBondContact O-N 2.85Å; T511-T513 VanDerWaalsContact O-N 3.14Å; T511-T513 WeakPolarHBondContact OG1-CG2 3.4Å; T511-T513 PolarHBondContact OG1-OG1 3.23Å; T511-T513 VanDerWaalsContact OG1-OG1 3.13Å |
| 512 | H | 86.8 | Confident | 92.3 | Very high | 167 Ų | 167 | 60.4 Ų | 60.4 | 77% | 0.773 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 28.4 | -176.9 | -61.2 | -76 | 0 | 0 | 0 | 114.3 | Q508 I509 H510 | Q508-H512 PolarHBondContact O-N 3.44Å; I509-H512 PolarHBondContact O-N 3.06Å; H510-H512 VanDerWaalsContact C-N 3.27Å; H510-H512 PolarHBondContact O-N 3.14Å |
| 513 | T | 88 | Confident | 92.3 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | trans | -80.5 | -23.6 | -179.4 | 48 | 0 | 0 | 0 | 0 | 112.5 | Q508 T511 | Q508-T513 VanDerWaalsContact CA-OG1 3.32Å; Q508-T513 WeakPolarHBondContact CA-OG1 3.39Å; Q508-T513 WeakPolarHBondContact CB-OG1 3.4Å; Q508-T513 WeakPolarHBondContact CG-OG1 3.26Å; Q508-T513 PolarHBondContact O-N 2.07Å; Q508-T513 VanDerWaalsContact O-N 3.14Å; Q508-T513 PolarHBondContact O-OG1 3.25Å; T511-T513 PolarHBondContact O-N 2.85Å; T511-T513 VanDerWaalsContact O-N 3.14Å; T511-T513 WeakPolarHBondContact OG1-CG2 3.4Å; T511-T513 PolarHBondContact OG1-OG1 3.23Å; T511-T513 VanDerWaalsContact OG1-OG1 3.13Å | ||
| 514 | L | 87.6 | Confident | 92.3 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -83.8 | 125.4 | 174.8 | -74.1 | 161.9 | 0 | 0 | 0 | 111.1 | T472 Q508 I509 Q518 L522 | T472-L514 HydrophobicContact CG2-CD1 4.46Å; T472-L514 HydrophobicContact CG2-CD2 3.62Å; Q508-L514 HydrophobicContact CB-CD1 3.53Å; Q508-L514 HydrophobicContact CB-CG 3.82Å; I509-L514 HydrophobicContact CG1-CD1 4.24Å; L514-Q518 HydrophobicContact CD2-CB 3.98Å; L514-L522 HydrophobicContact CD1-CD2 4.18Å |
| 515 | G | 89 | Confident | 92.4 | Very high | 36 Ų | 36 | 57 Ų | 57 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | trans | -65.2 | 152.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | R517 Q518 L519 | G515-R517 PolarHBondContact O-N 2.97Å; G515-Q518 PolarHBondContact O-N 3.37Å; G515-L519 PolarHBondContact O-N 3.02Å | ||
| 516 | W | 90.6 | Very high | 92.4 | Very high | 129 Ų | 129 | 57 Ų | 57 | 49% | 0.489 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.8 | -33 | -177.5 | 57.8 | -91 | 0 | 0 | 0 | 114.2 | R520 D557 V560 | W516-R520 WeakPolarHBondContact O-CB 3.38Å; W516-R520 PolarHBondContact O-N 3.14Å; W516-D557 VanDerWaalsContact CE3-OD2 3.28Å; W516-V560 HydrophobicContact CB-CG2 4.33Å |
| 517 | R | 92.1 | Very high | 92.3 | Very high | 178 Ų | 178 | 57 Ų | 57 | 67% | 0.672 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.6 | -45.1 | 175 | -66.3 | -177.7 | -177.2 | 171.9 | -0.5 | 112.6 | G515 Q521 | G515-R517 PolarHBondContact O-N 2.97Å; R517-Q521 WeakPolarHBondContact O-CB 3.48Å; R517-Q521 PolarHBondContact O-N 3.4Å |
| 518 | Q | 92.9 | Very high | 92.2 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 34% | 0.341 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 178.1 | -71.1 | 169.2 | -25.2 | 0 | 0 | 110.6 | L514 G515 Q521 L522 | L514-Q518 HydrophobicContact CD2-CB 3.98Å; G515-Q518 PolarHBondContact O-N 3.37Å; Q518-Q521 PolarHBondContact O-N 2.81Å; Q518-L522 WeakPolarHBondContact O-CB 3.26Å; Q518-L522 PolarHBondContact O-N 2.89Å |
| 519 | L | 94.6 | Very high | 92.1 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 174.3 | 179 | 55.3 | 0 | 0 | 0 | 111.4 | I509 G515 Q521 L522 L523 L552 V560 | I509-L519 HydrophobicContact CD1-CD1 3.85Å; I509-L519 HydrophobicContact CG1-CD1 3.66Å; G515-L519 PolarHBondContact O-N 3.02Å; L519-Q521 VanDerWaalsContact C-N 3.3Å; L519-Q521 PolarHBondContact O-N 3.21Å; L519-L522 PolarHBondContact O-N 3.33Å; L519-L523 HydrophobicContact CD1-CD1 4.36Å; L519-L523 HydrophobicContact CD1-CG 4.33Å; L519-L523 HydrophobicContact CG-CD1 4.39Å; L519-L523 VanDerWaalsContact O-CG 3.28Å; L519-L523 WeakPolarHBondContact O-CG 3.25Å; L519-L523 PolarHBondContact O-N 3.49Å; L519-L523 VanDerWaalsContact O-N 3.07Å; L519-L552 HydrophobicContact CD1-CD1 4.25Å; L519-L552 HydrophobicContact CD2-CD2 4.2Å; L519-V560 HydrophobicContact CD2-CG1 3.81Å; L519-V560 HydrophobicContact CG-CG1 3.99Å |
| 520 | R | 94.9 | Very high | 91.9 | Very high | 110 Ų | 110 | 55.5 Ų | 55.5 | 42% | 0.415 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.2 | -47.4 | 173.7 | 175.4 | -170.5 | 165.8 | 171.5 | -7 | 111.3 | W516 L523 L524 V560 A563 | W516-R520 WeakPolarHBondContact O-CB 3.38Å; W516-R520 PolarHBondContact O-N 3.14Å; R520-L523 PolarHBondContact O-N 3.37Å; R520-L524 HydrophobicContact CG-CD1 4.13Å; R520-L524 WeakPolarHBondContact O-CG 3.37Å; R520-L524 PolarHBondContact O-N 3.44Å; R520-L524 VanDerWaalsContact O-N 3.08Å; R520-V560 HydrophobicContact CB-CG2 4.14Å; R520-A563 HydrophobicContact CG-CB 4.19Å |
| 521 | Q | 94.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | -176.7 | -168 | 60.8 | 49.6 | 0 | 0 | 111.9 | A474 R517 Q518 L519 L523 L524 N525 | A474-Q521 WeakPolarHBondContact O-CG 3.48Å; A474-Q521 PolarHBondContact O-NE2 3.47Å; R517-Q521 WeakPolarHBondContact O-CB 3.48Å; R517-Q521 PolarHBondContact O-N 3.4Å; Q518-Q521 PolarHBondContact O-N 2.81Å; L519-Q521 VanDerWaalsContact C-N 3.3Å; L519-Q521 PolarHBondContact O-N 3.21Å; Q521-L523 PolarHBondContact O-N 2.73Å; Q521-L524 PolarHBondContact O-N 3.45Å; Q521-N525 PolarHBondContact NE2-OD1 3.45Å; Q521-N525 WeakPolarHBondContact O-CB 3.28Å; Q521-N525 VanDerWaalsContact O-CG 3.23Å; Q521-N525 PolarHBondContact O-N 3.46Å; Q521-N525 PolarHBondContact O-ND2 2.88Å |
| 522 | L | 95.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54 | -50.8 | 173.1 | 173.1 | 66.4 | 0 | 0 | 0 | 111.4 | L471 T472 C505 I509 L514 Q518 L519 L524 N525 L526 | L471-L522 HydrophobicContact CB-CD1 3.98Å; T472-L522 HydrophobicContact CG2-CB 4.05Å; T472-L522 HydrophobicContact CG2-CD1 4.11Å; T472-L522 HydrophobicContact CG2-CD2 4.29Å; T472-L522 HydrophobicContact CG2-CG 4.37Å; C505-L522 HydrophobicContact CB-CD1 4.26Å; C505-L522 HydrophobicContact CB-CD2 3.75Å; I509-L522 HydrophobicContact CD1-CD2 4.36Å; L514-L522 HydrophobicContact CD1-CD2 4.18Å; Q518-L522 WeakPolarHBondContact O-CB 3.26Å; Q518-L522 PolarHBondContact O-N 2.89Å; L519-L522 PolarHBondContact O-N 3.33Å; L522-L524 VanDerWaalsContact C-N 3.33Å; L522-L524 PolarHBondContact O-N 2.89Å; L522-N525 PolarHBondContact O-N 3.44Å; L522-L526 HydrophobicContact CD1-CD1 3.93Å; L522-L526 HydrophobicContact CD1-CG 4.07Å; L522-L526 HydrophobicContact CG-CD1 4.04Å; L522-L526 HydrophobicContact CG-CG 4.5Å; L522-L526 WeakPolarHBondContact O-CB 3.43Å; L522-L526 VanDerWaalsContact O-CG 3.32Å; L522-L526 WeakPolarHBondContact O-CG 3.24Å; L522-L526 PolarHBondContact O-N 3.49Å |
| 523 | L | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | -179.7 | -65.2 | 172.7 | 0 | 0 | 0 | 111.8 | L519 R520 Q521 A527 F549 L552 V560 A563 A564 L567 | L519-L523 HydrophobicContact CD1-CD1 4.36Å; L519-L523 HydrophobicContact CD1-CG 4.33Å; L519-L523 HydrophobicContact CG-CD1 4.39Å; L519-L523 VanDerWaalsContact O-CG 3.28Å; L519-L523 WeakPolarHBondContact O-CG 3.25Å; L519-L523 PolarHBondContact O-N 3.49Å; L519-L523 VanDerWaalsContact O-N 3.07Å; R520-L523 PolarHBondContact O-N 3.37Å; Q521-L523 PolarHBondContact O-N 2.73Å; L523-A527 VanDerWaalsContact O-CB 3.31Å; L523-A527 WeakPolarHBondContact O-CB 3.43Å; L523-A527 PolarHBondContact O-N 3.28Å; L523-F549 HydrophobicContact CD2-CD1 3.74Å; L523-F549 HydrophobicContact CD2-CE1 3.95Å; L523-L552 HydrophobicContact CD1-CD1 4.13Å; L523-L552 HydrophobicContact CD2-CD1 3.96Å; L523-V560 HydrophobicContact CD1-CG1 3.99Å; L523-A563 HydrophobicContact CB-CB 3.71Å; L523-A563 HydrophobicContact CD1-CB 4.07Å; L523-A564 HydrophobicContact CD1-CB 4.09Å; L523-L567 HydrophobicContact CD2-CD2 3.52Å |
| 524 | L | 94.2 | Very high | 90.8 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 176.2 | -70.8 | 175.2 | 0 | 0 | 0 | 112.2 | R520 Q521 L522 A527 A528 A563 | R520-L524 HydrophobicContact CG-CD1 4.13Å; R520-L524 WeakPolarHBondContact O-CG 3.37Å; R520-L524 PolarHBondContact O-N 3.44Å; R520-L524 VanDerWaalsContact O-N 3.08Å; Q521-L524 PolarHBondContact O-N 3.45Å; L522-L524 VanDerWaalsContact C-N 3.33Å; L522-L524 PolarHBondContact O-N 2.89Å; L524-A527 PolarHBondContact O-N 3.48Å; L524-A528 WeakPolarHBondContact O-CB 3.31Å; L524-A528 PolarHBondContact O-N 3.04Å; L524-A563 HydrophobicContact CD2-CB 3.99Å; L524-A563 HydrophobicContact CG-CB 3.91Å |
| 525 | N | 94.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 179.6 | -73.2 | -12.8 | 0 | 0 | 0 | 111.7 | L471 A474 L480 Q521 L522 A527 A528 A529 | L471-N525 PolarHBondContact O-ND2 2.97Å; A474-N525 PolarHBondContact O-ND2 2.68Å; A474-N525 PolarHBondContact O-OD1 3.44Å; L480-N525 HydrophobicContact CD1-CB 3.93Å; L480-N525 HydrophobicContact CD2-CB 4.38Å; Q521-N525 PolarHBondContact NE2-OD1 3.45Å; Q521-N525 WeakPolarHBondContact O-CB 3.28Å; Q521-N525 VanDerWaalsContact O-CG 3.23Å; Q521-N525 PolarHBondContact O-N 3.46Å; Q521-N525 PolarHBondContact O-ND2 2.88Å; L522-N525 PolarHBondContact O-N 3.44Å; N525-A527 VanDerWaalsContact C-N 3.32Å; N525-A527 PolarHBondContact O-N 3.46Å; N525-A528 PolarHBondContact O-N 3.41Å; N525-A529 VanDerWaalsContact O-CB 3.3Å; N525-A529 WeakPolarHBondContact O-CB 3.35Å; N525-A529 PolarHBondContact O-N 3.42Å |
| 526 | L | 94.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 171.9 | -70 | 175.3 | 0 | 0 | 0 | 111.1 | V502 L522 A529 L530 I538 F549 L567 | V502-L526 HydrophobicContact CG2-CD2 4.47Å; L522-L526 HydrophobicContact CD1-CD1 3.93Å; L522-L526 HydrophobicContact CD1-CG 4.07Å; L522-L526 HydrophobicContact CG-CD1 4.04Å; L522-L526 HydrophobicContact CG-CG 4.5Å; L522-L526 WeakPolarHBondContact O-CB 3.43Å; L522-L526 VanDerWaalsContact O-CG 3.32Å; L522-L526 WeakPolarHBondContact O-CG 3.24Å; L522-L526 PolarHBondContact O-N 3.49Å; L526-A529 PolarHBondContact O-N 3.43Å; L526-L530 WeakPolarHBondContact O-CG 3.47Å; L526-L530 PolarHBondContact O-N 3.4Å; L526-L530 VanDerWaalsContact O-N 3.13Å; L526-I538 HydrophobicContact CD2-CG2 4.11Å; L526-F549 HydrophobicContact CD1-CE1 4.46Å; L526-F549 HydrophobicContact CD1-CZ 4.18Å; L526-L567 HydrophobicContact CB-CD1 3.6Å; L526-L567 HydrophobicContact CB-CD2 4.48Å; L526-L567 HydrophobicContact CD1-CD2 4.38Å |
| 527 | A | 92.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L523 L524 N525 A529 L530 R566 L567 | L523-A527 VanDerWaalsContact O-CB 3.31Å; L523-A527 WeakPolarHBondContact O-CB 3.43Å; L523-A527 PolarHBondContact O-N 3.28Å; L524-A527 PolarHBondContact O-N 3.48Å; N525-A527 VanDerWaalsContact C-N 3.32Å; N525-A527 PolarHBondContact O-N 3.46Å; A527-A529 VanDerWaalsContact C-N 3.29Å; A527-A529 PolarHBondContact O-N 3.4Å; A527-L530 PolarHBondContact O-N 2.83Å; A527-R566 HydrophobicContact CB-CB 4.3Å; A527-L567 HydrophobicContact CB-CB 4.27Å; A527-L567 HydrophobicContact CB-CD1 4.39Å |
| 528 | A | 91.9 | Very high | 90.2 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 37% | 0.372 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L480 L524 N525 L530 Q531 | L480-A528 HydrophobicContact CD2-CB 4.13Å; L524-A528 WeakPolarHBondContact O-CB 3.31Å; L524-A528 PolarHBondContact O-N 3.04Å; N525-A528 PolarHBondContact O-N 3.41Å; A528-L530 VanDerWaalsContact C-N 3.31Å; A528-L530 PolarHBondContact O-N 3.23Å; A528-Q531 PolarHBondContact O-N 3.08Å; A528-Q531 VanDerWaalsContact O-N 3.09Å |
| 529 | A | 89.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.8 | -24.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W484 N525 L526 A527 Q531 S532 A535 I538 | W484-A529 HydrophobicContact CH2-CB 4.03Å; W484-A529 HydrophobicContact CZ2-CB 3.35Å; N525-A529 VanDerWaalsContact O-CB 3.3Å; N525-A529 WeakPolarHBondContact O-CB 3.35Å; N525-A529 PolarHBondContact O-N 3.42Å; L526-A529 PolarHBondContact O-N 3.43Å; A527-A529 VanDerWaalsContact C-N 3.29Å; A527-A529 PolarHBondContact O-N 3.4Å; A529-Q531 PolarHBondContact O-N 3.39Å; A529-S532 PolarHBondContact O-N 2.76Å; A529-S532 PolarHBondContact O-OG 3.41Å; A529-S532 VanDerWaalsContact O-OG 3.06Å; A529-A535 PolarHBondContact O-N 3.07Å; A529-I538 HydrophobicContact CB-CD1 3.26Å |
| 530 | L | 88.4 | Confident | 89.9 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -8.5 | 170.3 | -68.4 | 167.6 | 0 | 0 | 0 | 113.5 | L526 A527 A528 A535 I538 L567 C570 | L526-L530 WeakPolarHBondContact O-CG 3.47Å; L526-L530 PolarHBondContact O-N 3.4Å; L526-L530 VanDerWaalsContact O-N 3.13Å; A527-L530 PolarHBondContact O-N 2.83Å; A528-L530 VanDerWaalsContact C-N 3.31Å; A528-L530 PolarHBondContact O-N 3.23Å; L530-A535 VanDerWaalsContact O-CB 3.25Å; L530-A535 WeakPolarHBondContact O-CB 3.08Å; L530-I538 HydrophobicContact CD2-CB 4.4Å; L530-I538 HydrophobicContact CD2-CG2 4.09Å; L530-I538 HydrophobicContact CG-CG2 4.33Å; L530-L567 HydrophobicContact CD1-CD1 3.7Å; L530-C570 HydrophobicContact CB-CB 4.21Å; L530-C570 HydrophobicContact CD1-CB 4.22Å |
| 531 | Q | 86.1 | Confident | 89.7 | Confident | 148 Ų | 148 | 37.8 Ų | 37.8 | 69% | 0.692 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 4.4 | 175.7 | -59.8 | -179.7 | -9 | 0 | 0 | 112.3 | A528 A529 C570 | A528-Q531 PolarHBondContact O-N 3.08Å; A528-Q531 VanDerWaalsContact O-N 3.09Å; A529-Q531 PolarHBondContact O-N 3.39Å; Q531-C570 PolarHBondContact NE2-SG 3.22Å |
| 532 | S | 85.9 | Confident | 89.6 | Confident | 46 Ų | 46 | 36 Ų | 36 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -110.5 | -175.6 | -178.7 | 80.6 | 0 | 0 | 0 | 0 | 112.2 | A529 M534 A535 | A529-S532 PolarHBondContact O-N 2.76Å; A529-S532 PolarHBondContact O-OG 3.41Å; A529-S532 VanDerWaalsContact O-OG 3.06Å; S532-M534 PolarHBondContact O-N 3.07Å; S532-M534 PolarHBondContact OG-N 3.32Å; S532-A535 VanDerWaalsContact O-CB 3.24Å; S532-A535 WeakPolarHBondContact O-CB 3.35Å; S532-A535 PolarHBondContact O-N 3.47Å; S532-A535 VanDerWaalsContact O-N 3.07Å |
| 533 | S | 81.2 | Confident | 89.3 | Confident | 123 Ų | 123 | 36.9 Ų | 36.9 | 86% | 0.86 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 114 | A535 | S533-A535 VanDerWaalsContact C-N 3.32Š|
| 534 | M | 81.3 | Confident | 89.1 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.8 | 179.3 | -65 | -59.8 | -62.8 | 0 | 0 | 113.9 | W484 H487 V498 S532 A536 Q537 I538 | W484-M534 HydrophobicContact CB-CG 4.44Å; W484-M534 HydrophobicContact CD2-CG 3.91Å; W484-M534 HydrophobicContact CE3-CE 4.19Å; W484-M534 HydrophobicContact CE3-CG 4.13Å; W484-M534 HydrophobicContact CG-CG 4.02Å; H487-M534 WeakPolarHBondContact CD2-CE 3.28Å; V498-M534 HydrophobicContact CG2-CE 4.45Å; S532-M534 PolarHBondContact O-N 3.07Å; S532-M534 PolarHBondContact OG-N 3.32Å; M534-A536 VanDerWaalsContact C-N 3.3Å; M534-A536 PolarHBondContact O-N 3.42Å; M534-Q537 HydrophobicContact CE-CB 4.43Å; M534-Q537 VanDerWaalsContact CE-OE1 3.26Å; M534-Q537 PolarHBondContact O-N 2.92Å; M534-I538 HydrophobicContact CB-CD1 3.55Å; M534-I538 HydrophobicContact CB-CG1 4.23Å; M534-I538 PolarHBondContact O-N 3.44Å; M534-I538 VanDerWaalsContact O-N 3.08Å |
| 535 | A | 85.7 | Confident | 89 | Confident | 33 Ų | 33 | 41.8 Ų | 41.8 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.9 | -38.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A529 L530 S532 S533 G539 | A529-A535 PolarHBondContact O-N 3.07Å; L530-A535 VanDerWaalsContact O-CB 3.25Å; L530-A535 WeakPolarHBondContact O-CB 3.08Å; S532-A535 VanDerWaalsContact O-CB 3.24Å; S532-A535 WeakPolarHBondContact O-CB 3.35Å; S532-A535 PolarHBondContact O-N 3.47Å; S532-A535 VanDerWaalsContact O-N 3.07Å; S533-A535 VanDerWaalsContact C-N 3.32Å; A535-G539 WeakPolarHBondContact O-CA 3.15Å; A535-G539 PolarHBondContact O-N 2.88Å |
| 536 | A | 85.9 | Confident | 88.7 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -68.1 | -46.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M534 S540 | M534-A536 VanDerWaalsContact C-N 3.3Å; M534-A536 PolarHBondContact O-N 3.42Å; A536-S540 WeakPolarHBondContact O-CB 3.32Å; A536-S540 PolarHBondContact O-N 3.16Å |
| 537 | Q | 86.4 | Confident | 88.4 | Confident | 101 Ų | 101 | 45.4 Ų | 45.4 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.9 | -46.5 | -176.8 | -64.9 | -177.4 | 3.5 | 0 | 0 | 111.3 | H487 M534 A541 | H487-Q537 PolarHBondContact NE2-OE1 2.91Å; M534-Q537 HydrophobicContact CE-CB 4.43Å; M534-Q537 VanDerWaalsContact CE-OE1 3.26Å; M534-Q537 PolarHBondContact O-N 2.92Å; Q537-A541 PolarHBondContact O-N 3.43Å |
| 538 | I | 88.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.9 | -39 | 178.6 | -63 | 170.1 | 0 | 0 | 0 | 110.2 | W484 V498 L526 A529 L530 M534 S540 A541 V542 | W484-I538 HydrophobicContact CE3-CD1 4.41Å; W484-I538 HydrophobicContact CH2-CD1 3.2Å; W484-I538 HydrophobicContact CH2-CG1 4.24Å; W484-I538 HydrophobicContact CZ2-CD1 3.63Å; W484-I538 HydrophobicContact CZ3-CD1 3.66Å; W484-I538 HydrophobicContact CZ3-CG1 4.43Å; V498-I538 HydrophobicContact CG1-CG1 3.89Å; L526-I538 HydrophobicContact CD2-CG2 4.11Å; A529-I538 HydrophobicContact CB-CD1 3.26Å; L530-I538 HydrophobicContact CD2-CB 4.4Å; L530-I538 HydrophobicContact CD2-CG2 4.09Å; L530-I538 HydrophobicContact CG-CG2 4.33Å; M534-I538 HydrophobicContact CB-CD1 3.55Å; M534-I538 HydrophobicContact CB-CG1 4.23Å; M534-I538 PolarHBondContact O-N 3.44Å; M534-I538 VanDerWaalsContact O-N 3.08Å; I538-S540 PolarHBondContact O-N 3.34Å; I538-A541 PolarHBondContact O-N 3.36Å; I538-V542 HydrophobicContact CG2-CG2 3.9Å; I538-V542 WeakPolarHBondContact O-CB 3.46Å; I538-V542 VanDerWaalsContact O-CG2 3.29Å; I538-V542 WeakPolarHBondContact O-CG2 3.46Å; I538-V542 PolarHBondContact O-N 2.6Å |
| 539 | G | 89.3 | Confident | 88.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.3 | -48.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A535 A541 V542 S543 P572 | A535-G539 WeakPolarHBondContact O-CA 3.15Å; A535-G539 PolarHBondContact O-N 2.88Å; G539-A541 VanDerWaalsContact C-N 3.35Å; G539-A541 PolarHBondContact O-N 3.45Å; G539-V542 PolarHBondContact O-N 3.24Å; G539-S543 VanDerWaalsContact O-CB 3.26Å; G539-S543 WeakPolarHBondContact O-CB 3.5Å; G539-S543 PolarHBondContact O-N 3.35Å; G539-S543 PolarHBondContact O-OG 3.22Å; G539-P572 VanDerWaalsContact O-CG 3.26Å; G539-P572 WeakPolarHBondContact O-CG 3.37Å |
| 540 | S | 90.3 | Very high | 88.5 | Confident | 75 Ų | 75 | 44 Ų | 44 | 52% | 0.524 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 175.3 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | A536 I538 S543 | A536-S540 WeakPolarHBondContact O-CB 3.32Å; A536-S540 PolarHBondContact O-N 3.16Å; I538-S540 PolarHBondContact O-N 3.34Å; S540-S543 PolarHBondContact O-N 3.41Å; S540-S543 PolarHBondContact O-OG 3.42Å |
| 541 | A | 91.6 | Very high | 88.7 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -45.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V498 P499 V502 Q537 I538 G539 S543 V544 | V498-A541 HydrophobicContact CG1-CB 4.06Å; P499-A541 HydrophobicContact CB-CB 4.46Å; P499-A541 HydrophobicContact CG-CB 4.35Å; V502-A541 HydrophobicContact CB-CB 4.15Å; V502-A541 HydrophobicContact CG2-CB 3.86Å; Q537-A541 PolarHBondContact O-N 3.43Å; I538-A541 PolarHBondContact O-N 3.36Å; G539-A541 VanDerWaalsContact C-N 3.35Å; G539-A541 PolarHBondContact O-N 3.45Å; A541-S543 VanDerWaalsContact C-N 3.34Å; A541-S543 PolarHBondContact O-N 3.03Å; A541-V544 PolarHBondContact O-N 2.91Å |
| 542 | V | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 178 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | V502 I538 G539 V544 H545 L546 F549 L567 | V502-V542 HydrophobicContact CG1-CG2 4.48Å; I538-V542 HydrophobicContact CG2-CG2 3.9Å; I538-V542 WeakPolarHBondContact O-CB 3.46Å; I538-V542 VanDerWaalsContact O-CG2 3.29Å; I538-V542 WeakPolarHBondContact O-CG2 3.46Å; I538-V542 PolarHBondContact O-N 2.6Å; G539-V542 PolarHBondContact O-N 3.24Å; V542-V544 PolarHBondContact O-N 2.98Å; V542-H545 CarbonylContact O-C 3.53Å; V542-H545 PolarHBondContact O-N 2.89Å; V542-L546 HydrophobicContact CG1-CD2 4.39Å; V542-L546 PolarHBondContact O-N 3.46Å; V542-F549 HydrophobicContact CG1-CD2 4.21Å; V542-F549 HydrophobicContact CG1-CE2 4.03Å; V542-L567 HydrophobicContact CG1-CD1 4.26Å |
| 543 | S | 90.2 | Very high | 89.4 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -32.6 | -179.4 | 74.4 | 0 | 0 | 0 | 0 | 113.4 | G539 S540 A541 H545 L546 P572 | G539-S543 VanDerWaalsContact O-CB 3.26Å; G539-S543 WeakPolarHBondContact O-CB 3.5Å; G539-S543 PolarHBondContact O-N 3.35Å; G539-S543 PolarHBondContact O-OG 3.22Å; S540-S543 PolarHBondContact O-N 3.41Å; S540-S543 PolarHBondContact O-OG 3.42Å; A541-S543 VanDerWaalsContact C-N 3.34Å; A541-S543 PolarHBondContact O-N 3.03Å; S543-H545 VanDerWaalsContact C-N 3.3Å; S543-H545 PolarHBondContact O-N 3.31Å; S543-L546 WeakPolarHBondContact O-CD1 3.35Å; S543-P572 VanDerWaalsContact CB-O 3.25Å; S543-P572 WeakPolarHBondContact CB-O 3.46Å |
| 544 | V | 90.8 | Very high | 90 | Very high | 98 Ų | 98 | 36.4 Ų | 36.4 | 59% | 0.594 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.5 | -32.9 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | A541 V542 | A541-V544 PolarHBondContact O-N 2.91Å; V542-V544 PolarHBondContact O-N 2.98Å |
| 545 | H | 91.6 | Very high | 90.5 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 17% | 0.171 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 16.9 | -173.9 | -68.9 | -69.4 | 0 | 0 | 0 | 113.9 | V506 V542 S543 H547 D548 F549 | V506-H545 HydrophobicContact CG2-CB 3.89Å; V542-H545 CarbonylContact O-C 3.53Å; V542-H545 PolarHBondContact O-N 2.89Å; S543-H545 VanDerWaalsContact C-N 3.3Å; S543-H545 PolarHBondContact O-N 3.31Å; H545-H547 PolarHBondContact O-N 2.87Å; H545-H547 VanDerWaalsContact O-N 3.17Å; H545-D548 WeakPolarHBondContact CA-OD2 3.5Å; H545-D548 HydrophobicContact CB-CB 4.45Å; H545-D548 WeakPolarHBondContact CB-OD2 3.15Å; H545-D548 IonicContact CG-OD2 3.2Å; H545-D548 IonicContact ND1-OD2 3.94Å; H545-D548 PolarHBondContact ND1-OD2 2.96Å; H545-D548 WeakPolarHBondContact O-CB 3.33Å; H545-D548 PolarHBondContact O-N 3.2Å; H545-F549 HydrophobicContact CB-CD2 4.26Å; H545-F549 HydrophobicContact CB-CE2 3.85Å; H545-F549 WeakPolarHBondContact O-CD2 3.31Å; H545-F549 PolarHBondContact O-N 3Å |
| 546 | L | 88.2 | Confident | 90.6 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -33.4 | -179.5 | -74.7 | 168.8 | 0 | 0 | 0 | 113.5 | V542 S543 D548 F549 G550 L568 S571 L573 P574 | V542-L546 HydrophobicContact CG1-CD2 4.39Å; V542-L546 PolarHBondContact O-N 3.46Å; S543-L546 WeakPolarHBondContact O-CD1 3.35Å; L546-D548 VanDerWaalsContact C-N 3.28Å; L546-D548 PolarHBondContact O-N 3.39Å; L546-F549 PolarHBondContact O-N 2.84Å; L546-G550 PolarHBondContact O-N 2.84Å; L546-L568 HydrophobicContact CD2-CD2 3.47Å; L546-L568 VanDerWaalsContact CD2-CD2 3.47Å; L546-S571 VanDerWaalsContact CD2-OG 3.28Å; L546-S571 WeakPolarHBondContact CD2-OG 3.37Å; L546-L573 HydrophobicContact CD1-CD2 4.37Å; L546-P574 HydrophobicContact CD1-CG 4.19Å |
| 547 | H | 89 | Confident | 90.8 | Very high | 80 Ų | 80 | 37.9 Ų | 37.9 | 37% | 0.37 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.1 | -30.9 | 176.4 | 76.3 | -73.4 | 0 | 0 | 0 | 112.5 | H545 P551 H581 | H545-H547 PolarHBondContact O-N 2.87Å; H545-H547 VanDerWaalsContact O-N 3.17Å; H547-P551 WeakPolarHBondContact O-CD 3.33Å; H547-H581 HydrophobicContact CB-CB 4.24Å |
| 548 | D | 92.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.4 | -35.2 | 176.5 | -58.6 | -63.6 | 0 | 0 | 0 | 111.7 | V506 H510 H545 L546 | V506-D548 HydrophobicContact CG1-CB 3.67Å; V506-D548 VanDerWaalsContact CG1-CG 3.49Å; V506-D548 HydrophobicContact CG2-CB 4.39Å; H510-D548 IonicContact CD2-OD1 3.88Å; H510-D548 IonicContact CE1-OD1 3.91Å; H510-D548 PolarHBondContact CE1-OD1 3.24Å; H510-D548 IonicContact NE2-OD1 3.05Å; H510-D548 PolarHBondContact NE2-OD1 3.48Å; H545-D548 WeakPolarHBondContact CA-OD2 3.5Å; H545-D548 HydrophobicContact CB-CB 4.45Å; H545-D548 WeakPolarHBondContact CB-OD2 3.15Å; H545-D548 IonicContact CG-OD2 3.2Å; H545-D548 IonicContact ND1-OD2 3.94Å; H545-D548 PolarHBondContact ND1-OD2 2.96Å; H545-D548 WeakPolarHBondContact O-CB 3.33Å; H545-D548 PolarHBondContact O-N 3.2Å; L546-D548 VanDerWaalsContact C-N 3.28Å; L546-D548 PolarHBondContact O-N 3.39Å |
| 549 | F | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -79.3 | -22.5 | 177.1 | -64.7 | -63.7 | 0 | 0 | 0 | 113.3 | V502 V506 I509 L523 L526 V542 H545 L546 L552 L567 L568 | V502-F549 HydrophobicContact CG1-CZ 4.46Å; V506-F549 HydrophobicContact CG2-CE1 4.36Å; V506-F549 HydrophobicContact CG2-CE2 4.2Å; V506-F549 HydrophobicContact CG2-CZ 3.8Å; I509-F549 HydrophobicContact CD1-CD1 4.34Å; I509-F549 HydrophobicContact CD1-CE1 3.84Å; L523-F549 HydrophobicContact CD2-CD1 3.74Å; L523-F549 HydrophobicContact CD2-CE1 3.95Å; L526-F549 HydrophobicContact CD1-CE1 4.46Å; L526-F549 HydrophobicContact CD1-CZ 4.18Å; V542-F549 HydrophobicContact CG1-CD2 4.21Å; V542-F549 HydrophobicContact CG1-CE2 4.03Å; H545-F549 HydrophobicContact CB-CD2 4.26Å; H545-F549 HydrophobicContact CB-CE2 3.85Å; H545-F549 WeakPolarHBondContact O-CD2 3.31Å; H545-F549 PolarHBondContact O-N 3Å; L546-F549 PolarHBondContact O-N 2.84Å; F549-L552 HydrophobicContact CD1-CD1 3.94Å; F549-L552 WeakPolarHBondContact O-CB 3.5Å; F549-L552 PolarHBondContact O-N 3.4Å; F549-L552 VanDerWaalsContact O-N 3.17Å; F549-L567 HydrophobicContact CD1-CD2 3.88Å; F549-L567 HydrophobicContact CD2-CD2 4.31Å; F549-L567 HydrophobicContact CE1-CD2 4.08Å; F549-L567 HydrophobicContact CE2-CD2 4.49Å; F549-L567 HydrophobicContact CG-CD2 4.02Å; F549-L567 HydrophobicContact CZ-CD2 4.38Å; F549-L568 HydrophobicContact CB-CD2 4Å |
| 550 | G | 90.6 | Very high | 91 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -55.1 | -50.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L546 L552 L553 | L546-G550 PolarHBondContact O-N 2.84Å; G550-L552 PolarHBondContact O-N 3.34Å; G550-L552 VanDerWaalsContact O-N 3.17Å; G550-L553 VanDerWaalsContact O-CB 3.27Å; G550-L553 WeakPolarHBondContact O-CB 3.25Å; G550-L553 WeakPolarHBondContact O-CG 3.42Å; G550-L553 PolarHBondContact O-N 3.07Å; G550-L553 VanDerWaalsContact O-N 3.11Å |
| 551 | P | 92.6 | Very high | 91.1 | Very high | 85 Ų | 85 | 34 Ų | 34 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -57.5 | -27 | 176.9 | -28.1 | 35.1 | 0 | 0 | 0 | 114.4 | H547 L553 L554 | H547-P551 WeakPolarHBondContact O-CD 3.33Å; P551-L553 PolarHBondContact O-N 3.09Å; P551-L554 PolarHBondContact O-N 3.48Å |
| 552 | L | 94.1 | Very high | 91 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -66.6 | -17.9 | 179.3 | -56.3 | 178.7 | 0 | 0 | 0 | 112.9 | I509 L519 L523 F549 G550 L554 H555 S561 A564 | I509-L552 HydrophobicContact CD1-CD1 4.23Å; I509-L552 HydrophobicContact CG2-CD1 4.43Å; I509-L552 HydrophobicContact CG2-CD2 4.05Å; L519-L552 HydrophobicContact CD1-CD1 4.25Å; L519-L552 HydrophobicContact CD2-CD2 4.2Å; L523-L552 HydrophobicContact CD1-CD1 4.13Å; L523-L552 HydrophobicContact CD2-CD1 3.96Å; F549-L552 HydrophobicContact CD1-CD1 3.94Å; F549-L552 WeakPolarHBondContact O-CB 3.5Å; F549-L552 PolarHBondContact O-N 3.4Å; F549-L552 VanDerWaalsContact O-N 3.17Å; G550-L552 PolarHBondContact O-N 3.34Å; G550-L552 VanDerWaalsContact O-N 3.17Å; L552-L554 PolarHBondContact O-N 3.36Å; L552-H555 VanDerWaalsContact O-CB 3.29Å; L552-H555 WeakPolarHBondContact O-CB 3.34Å; L552-H555 PolarHBondContact O-N 3.08Å; L552-S561 WeakPolarHBondContact O-CA 3.24Å; L552-A564 HydrophobicContact CB-CB 3.86Å |
| 553 | L | 92.5 | Very high | 91 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -59.4 | -27.4 | 169.2 | -68.6 | 173.1 | 0 | 0 | 0 | 112.3 | G550 P551 S561 A564 V565 L568 L585 A588 A589 H592 L611 | G550-L553 VanDerWaalsContact O-CB 3.27Å; G550-L553 WeakPolarHBondContact O-CB 3.25Å; G550-L553 WeakPolarHBondContact O-CG 3.42Å; G550-L553 PolarHBondContact O-N 3.07Å; G550-L553 VanDerWaalsContact O-N 3.11Å; P551-L553 PolarHBondContact O-N 3.09Å; L553-S561 WeakPolarHBondContact O-CB 3.48Å; L553-A564 HydrophobicContact CD2-CB 4.19Å; L553-V565 HydrophobicContact CD2-CB 4.37Å; L553-V565 HydrophobicContact CD2-CG2 3.49Å; L553-V565 VanDerWaalsContact CD2-CG2 3.49Å; L553-L568 HydrophobicContact CD1-CD1 3.73Å; L553-L568 HydrophobicContact CD2-CD1 3.89Å; L553-L568 HydrophobicContact CG-CD1 3.73Å; L553-L585 HydrophobicContact CD1-CD1 4.43Å; L553-A588 HydrophobicContact CB-CB 4.38Å; L553-A588 HydrophobicContact CD1-CB 4.09Å; L553-A589 HydrophobicContact CD1-CB 4.19Å; L553-H592 HydrophobicContact CB-CB 4.19Å; L553-H592 PolarHBondContact O-CD2 3.48Å; L553-L611 HydrophobicContact CD1-CD2 4.25Å; L553-L611 HydrophobicContact CD2-CD2 4Å |
| 554 | L | 93.1 | Very high | 91.2 | Very high | 77 Ų | 77 | 34.8 Ų | 34.8 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -105.6 | 16.6 | -178.2 | -56.7 | -179.3 | 0 | 0 | 0 | 112.7 | P551 L552 A588 T591 H592 L595 | P551-L554 PolarHBondContact O-N 3.48Å; L552-L554 PolarHBondContact O-N 3.36Å; L554-A588 HydrophobicContact CD1-CB 4.21Å; L554-A588 HydrophobicContact CG-CB 4.29Å; L554-T591 HydrophobicContact CD1-CG2 4.4Å; L554-T591 HydrophobicContact CD2-CG2 3.63Å; L554-H592 HydrophobicContact CD2-CB 4.23Å; L554-L595 HydrophobicContact CD2-CD1 4.01Å |
| 555 | H | 92.7 | Very high | 91.3 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 31% | 0.306 | 18% | 0.181 | S | C | . | . | trans | -61.8 | 144.8 | 179.5 | -168.9 | -90.7 | 0 | 0 | 0 | 111.9 | L552 D557 V560 | L552-H555 VanDerWaalsContact O-CB 3.29Å; L552-H555 WeakPolarHBondContact O-CB 3.34Å; L552-H555 PolarHBondContact O-N 3.08Å; H555-D557 VanDerWaalsContact C-N 3.32Å; H555-D557 PolarHBondContact ND1-N 3.46Å; H555-D557 VanDerWaalsContact ND1-N 3.17Å; H555-D557 PolarHBondContact O-N 3.39Å; H555-V560 HydrophobicContact CB-CB 4.29Å; H555-V560 HydrophobicContact CB-CG1 4.01Å | ||
| 556 | G | 88.1 | Confident | 91.2 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 67% | 0.67 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -60.7 | -37.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 557 | D | 89.6 | Confident | 91.5 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -78.6 | 118.3 | 173.8 | 179.1 | 11.4 | 0 | 0 | 0 | 111.7 | W516 H555 A559 V560 S561 | W516-D557 VanDerWaalsContact CE3-OD2 3.28Å; H555-D557 VanDerWaalsContact C-N 3.32Å; H555-D557 PolarHBondContact ND1-N 3.46Å; H555-D557 VanDerWaalsContact ND1-N 3.17Å; H555-D557 PolarHBondContact O-N 3.39Å; D557-A559 PolarHBondContact O-N 3.49Å; D557-A559 PolarHBondContact OD1-N 3.29Å; D557-V560 HydrophobicContact CB-CG2 4.22Å; D557-V560 PolarHBondContact O-N 3.32Å; D557-S561 PolarHBondContact O-N 3.37Å |
| 558 | P | 86.9 | Confident | 91.6 | Very high | 68 Ų | 68 | 30.3 Ų | 30.3 | 44% | 0.442 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.8 | -27.8 | 177.4 | 23 | -34.6 | 0 | 0 | 0 | 114.2 | S561 H562 | P558-S561 PolarHBondContact O-OG 3.14Å; P558-S561 VanDerWaalsContact O-OG 3.08Å; P558-H562 WeakPolarHBondContact O-CB 3.4Å; P558-H562 PolarHBondContact O-N 3.17Å |
| 559 | A | 89.8 | Confident | 91.5 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 19% | 0.19 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.8 | -35.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D557 A563 | D557-A559 PolarHBondContact O-N 3.49Å; D557-A559 PolarHBondContact OD1-N 3.29Å; A559-A563 WeakPolarHBondContact O-CB 3.31Å; A559-A563 PolarHBondContact O-N 2.94Å; A559-A563 VanDerWaalsContact O-N 3.17Å |
| 560 | V | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.3 | -45.2 | 173.9 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | W516 L519 R520 L523 H555 D557 H562 A563 A564 | W516-V560 HydrophobicContact CB-CG2 4.33Å; L519-V560 HydrophobicContact CD2-CG1 3.81Å; L519-V560 HydrophobicContact CG-CG1 3.99Å; R520-V560 HydrophobicContact CB-CG2 4.14Å; L523-V560 HydrophobicContact CD1-CG1 3.99Å; H555-V560 HydrophobicContact CB-CB 4.29Å; H555-V560 HydrophobicContact CB-CG1 4.01Å; D557-V560 HydrophobicContact CB-CG2 4.22Å; D557-V560 PolarHBondContact O-N 3.32Å; V560-H562 VanDerWaalsContact C-N 3.3Å; V560-H562 PolarHBondContact O-N 3.48Å; V560-A563 PolarHBondContact O-N 2.9Å; V560-A563 VanDerWaalsContact O-N 3.14Å; V560-A564 PolarHBondContact O-N 3.08Å |
| 561 | S | 91.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 179.7 | 76.1 | 0 | 0 | 0 | 0 | 111.9 | L552 L553 D557 P558 A564 V565 H592 | L552-S561 WeakPolarHBondContact O-CA 3.24Å; L553-S561 WeakPolarHBondContact O-CB 3.48Å; D557-S561 PolarHBondContact O-N 3.37Å; P558-S561 PolarHBondContact O-OG 3.14Å; P558-S561 VanDerWaalsContact O-OG 3.08Å; S561-A564 WeakPolarHBondContact O-CB 3.5Å; S561-A564 PolarHBondContact O-N 3.23Å; S561-V565 WeakPolarHBondContact O-CG2 3.34Å; S561-V565 PolarHBondContact O-N 3.01Å; S561-H592 PolarHBondContact OG-NE2 2.95Å |
| 562 | H | 89.8 | Confident | 90.8 | Very high | 42 Ų | 42 | 29.6 Ų | 29.6 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 175.1 | -176.7 | 70.6 | 0 | 0 | 0 | 112.9 | P558 V560 A564 V565 R566 | P558-H562 WeakPolarHBondContact O-CB 3.4Å; P558-H562 PolarHBondContact O-N 3.17Å; V560-H562 VanDerWaalsContact C-N 3.3Å; V560-H562 PolarHBondContact O-N 3.48Å; H562-A564 VanDerWaalsContact C-N 3.34Å; H562-V565 PolarHBondContact O-N 3.36Å; H562-R566 PolarHBondContact NE2-NE 3.23Å; H562-R566 PolarHBondContact NE2-NH2 3.3Å; H562-R566 PolarHBondContact O-N 2.88Å; H562-R566 VanDerWaalsContact O-N 3.08Å |
| 563 | A | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | R520 L523 L524 A559 V560 R566 L567 | R520-A563 HydrophobicContact CG-CB 4.19Å; L523-A563 HydrophobicContact CB-CB 3.71Å; L523-A563 HydrophobicContact CD1-CB 4.07Å; L524-A563 HydrophobicContact CD2-CB 3.99Å; L524-A563 HydrophobicContact CG-CB 3.91Å; A559-A563 WeakPolarHBondContact O-CB 3.31Å; A559-A563 PolarHBondContact O-N 2.94Å; A559-A563 VanDerWaalsContact O-N 3.17Å; V560-A563 PolarHBondContact O-N 2.9Å; V560-A563 VanDerWaalsContact O-N 3.14Å; A563-R566 PolarHBondContact O-N 2.97Å; A563-L567 PolarHBondContact O-N 3.13Å |
| 564 | A | 93.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L523 L552 L553 V560 S561 H562 R566 L567 L568 | L523-A564 HydrophobicContact CD1-CB 4.09Å; L552-A564 HydrophobicContact CB-CB 3.86Å; L553-A564 HydrophobicContact CD2-CB 4.19Å; V560-A564 PolarHBondContact O-N 3.08Å; S561-A564 WeakPolarHBondContact O-CB 3.5Å; S561-A564 PolarHBondContact O-N 3.23Å; H562-A564 VanDerWaalsContact C-N 3.34Å; A564-R566 PolarHBondContact O-N 3.01Å; A564-L567 PolarHBondContact O-N 3.07Å; A564-L568 WeakPolarHBondContact O-CB 3.32Å; A564-L568 WeakPolarHBondContact O-CG 3.49Å; A564-L568 PolarHBondContact O-N 3.16Å |
| 565 | V | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L553 S561 H562 L567 L568 S569 H592 R608 L611 | L553-V565 HydrophobicContact CD2-CB 4.37Å; L553-V565 HydrophobicContact CD2-CG2 3.49Å; L553-V565 VanDerWaalsContact CD2-CG2 3.49Å; S561-V565 WeakPolarHBondContact O-CG2 3.34Å; S561-V565 PolarHBondContact O-N 3.01Å; H562-V565 PolarHBondContact O-N 3.36Å; V565-L567 PolarHBondContact O-N 3.1Å; V565-L568 PolarHBondContact O-N 3.13Å; V565-S569 VanDerWaalsContact O-CB 3.24Å; V565-S569 WeakPolarHBondContact O-CB 3.34Å; V565-S569 PolarHBondContact O-N 3.14Å; V565-S569 PolarHBondContact O-OG 3.28Å; V565-H592 WeakPolarHBondContact CG2-CE1 3.31Å; V565-H592 WeakPolarHBondContact CG2-ND1 3.35Å; V565-R608 HydrophobicContact CG1-CG 4.41Å; V565-L611 HydrophobicContact CG1-CD2 4.39Å; V565-L611 HydrophobicContact CG2-CD2 4.27Å |
| 566 | R | 91.1 | Very high | 88.5 | Confident | 128 Ų | 128 | 43.5 Ų | 43.5 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 179.3 | -75 | -175.5 | 173.9 | -179.3 | -0.8 | 112.4 | A527 H562 A563 A564 C570 | A527-R566 HydrophobicContact CB-CB 4.3Å; H562-R566 PolarHBondContact NE2-NE 3.23Å; H562-R566 PolarHBondContact NE2-NH2 3.3Å; H562-R566 PolarHBondContact O-N 2.88Å; H562-R566 VanDerWaalsContact O-N 3.08Å; A563-R566 PolarHBondContact O-N 2.97Å; A564-R566 PolarHBondContact O-N 3.01Å; R566-C570 PolarHBondContact O-N 2.7Å; R566-C570 PolarHBondContact O-SG 3.4Å |
| 567 | L | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -55.4 | 176.5 | 177.4 | 61.8 | 0 | 0 | 0 | 111.2 | L523 L526 A527 L530 V542 F549 A563 A564 V565 S569 C570 S571 | L523-L567 HydrophobicContact CD2-CD2 3.52Å; L526-L567 HydrophobicContact CB-CD1 3.6Å; L526-L567 HydrophobicContact CB-CD2 4.48Å; L526-L567 HydrophobicContact CD1-CD2 4.38Å; A527-L567 HydrophobicContact CB-CB 4.27Å; A527-L567 HydrophobicContact CB-CD1 4.39Å; L530-L567 HydrophobicContact CD1-CD1 3.7Å; V542-L567 HydrophobicContact CG1-CD1 4.26Å; F549-L567 HydrophobicContact CD1-CD2 3.88Å; F549-L567 HydrophobicContact CD2-CD2 4.31Å; F549-L567 HydrophobicContact CE1-CD2 4.08Å; F549-L567 HydrophobicContact CE2-CD2 4.49Å; F549-L567 HydrophobicContact CG-CD2 4.02Å; F549-L567 HydrophobicContact CZ-CD2 4.38Å; A563-L567 PolarHBondContact O-N 3.13Å; A564-L567 PolarHBondContact O-N 3.07Å; V565-L567 PolarHBondContact O-N 3.1Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 3.14Å; L567-C570 PolarHBondContact O-N 2.96Å; L567-S571 WeakPolarHBondContact O-CB 3.45Å; L567-S571 PolarHBondContact O-N 2.62Å; L567-S571 PolarHBondContact O-OG 3.46Å |
| 568 | L | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.8 | -28.8 | -174.9 | -67.7 | 175.1 | 0 | 0 | 0 | 113 | L546 F549 L553 A564 V565 C570 S571 L585 L611 F615 | L546-L568 HydrophobicContact CD2-CD2 3.47Å; L546-L568 VanDerWaalsContact CD2-CD2 3.47Å; F549-L568 HydrophobicContact CB-CD2 4Å; L553-L568 HydrophobicContact CD1-CD1 3.73Å; L553-L568 HydrophobicContact CD2-CD1 3.89Å; L553-L568 HydrophobicContact CG-CD1 3.73Å; A564-L568 WeakPolarHBondContact O-CB 3.32Å; A564-L568 WeakPolarHBondContact O-CG 3.49Å; A564-L568 PolarHBondContact O-N 3.16Å; V565-L568 PolarHBondContact O-N 3.13Å; L568-C570 VanDerWaalsContact C-N 3.25Å; L568-C570 PolarHBondContact O-N 3.23Å; L568-S571 WeakPolarHBondContact CA-OG 3.24Å; L568-S571 PolarHBondContact O-OG 3.44Å; L568-L585 HydrophobicContact CD1-CD1 4.28Å; L568-L611 HydrophobicContact CB-CD1 3.52Å; L568-F615 HydrophobicContact CB-CZ 4.3Å |
| 569 | S | 89.5 | Confident | 88.3 | Confident | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.2 | -26.7 | 175.3 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | V565 L567 G607 R614 | V565-S569 VanDerWaalsContact O-CB 3.24Å; V565-S569 WeakPolarHBondContact O-CB 3.34Å; V565-S569 PolarHBondContact O-N 3.14Å; V565-S569 PolarHBondContact O-OG 3.28Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 3.14Å; S569-G607 PolarHBondContact OG-O 2.94Å; S569-G607 VanDerWaalsContact OG-O 3.1Å; S569-R614 WeakPolarHBondContact O-CD 3.46Å; S569-R614 PolarHBondContact O-NH1 3.18Å |
| 570 | C | 88.1 | Confident | 88.3 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 25% | 0.25 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -101.8 | -24.7 | -177.9 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | L530 Q531 R566 L567 L568 R614 | L530-C570 HydrophobicContact CB-CB 4.21Å; L530-C570 HydrophobicContact CD1-CB 4.22Å; Q531-C570 PolarHBondContact NE2-SG 3.22Å; R566-C570 PolarHBondContact O-N 2.7Å; R566-C570 PolarHBondContact O-SG 3.4Å; L567-C570 PolarHBondContact O-N 2.96Å; L568-C570 VanDerWaalsContact C-N 3.25Å; L568-C570 PolarHBondContact O-N 3.23Å; C570-R614 PolarHBondContact O-NH1 2.59Å; C570-R614 VanDerWaalsContact O-NH1 3.14Å |
| 571 | S | 88.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -70.1 | 126.7 | -172.8 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | L546 L567 L568 L573 R614 | L546-S571 VanDerWaalsContact CD2-OG 3.28Å; L546-S571 WeakPolarHBondContact CD2-OG 3.37Å; L567-S571 WeakPolarHBondContact O-CB 3.45Å; L567-S571 PolarHBondContact O-N 2.62Å; L567-S571 PolarHBondContact O-OG 3.46Å; L568-S571 WeakPolarHBondContact CA-OG 3.24Å; L568-S571 PolarHBondContact O-OG 3.44Å; S571-L573 PolarHBondContact O-N 3.19Å; S571-R614 PolarHBondContact O-NH2 2.91Å |
| 572 | P | 86.5 | Confident | 88 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 138.6 | 177.9 | 26.6 | -34 | 0 | 0 | 0 | 111 | G539 S543 | G539-P572 VanDerWaalsContact O-CG 3.26Å; G539-P572 WeakPolarHBondContact O-CG 3.37Å; S543-P572 VanDerWaalsContact CB-O 3.25Å; S543-P572 WeakPolarHBondContact CB-O 3.46Å |
| 573 | L | 84.1 | Confident | 88 | Confident | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.225 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 141.7 | 176.4 | -71.9 | 158.7 | 0 | 0 | 0 | 108.7 | L546 S571 R614 F615 Y618 | L546-L573 HydrophobicContact CD1-CD2 4.37Å; S571-L573 PolarHBondContact O-N 3.19Å; L573-R614 HydrophobicContact CD1-CG 4Å; L573-F615 HydrophobicContact CD1-CD1 4.46Å; L573-F615 HydrophobicContact CD2-CD1 3.82Å; L573-F615 HydrophobicContact CD2-CE1 3.75Å; L573-Y618 HydrophobicContact CB-CD2 3.6Å; L573-Y618 HydrophobicContact CB-CE2 3.69Å; L573-Y618 HydrophobicContact CD1-CD2 3.69Å; L573-Y618 HydrophobicContact CD1-CG 4.21Å; L573-Y618 HydrophobicContact CD2-CD2 4.18Å; L573-Y618 HydrophobicContact CG-CD2 4.01Å |
| 574 | P | 83.5 | Confident | 88 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 153.1 | -178.1 | 31.8 | -25.9 | 0 | 0 | 0 | 108.4 | L546 T576 A577 Y618 | L546-P574 HydrophobicContact CD1-CG 4.19Å; P574-T576 PolarHBondContact O-N 3.41Å; P574-A577 HydrophobicContact CG-CB 4.14Å; P574-Y618 WeakPolarHBondContact O-CE2 3.27Å; P574-Y618 PolarHBondContact O-OH 2.96Å |
| 575 | R | 77.3 | Confident | 87.8 | Confident | 252 Ų | 252 | 57.2 Ų | 57.2 | 95% | 0.951 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -68.1 | -26.4 | -180 | -67.4 | -177.9 | -178.7 | 176.2 | 0.2 | 112.9 | ||
| 576 | T | 77.9 | Confident | 87.8 | Confident | 125 Ų | 125 | 57.3 Ų | 57.3 | 77% | 0.767 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -135.2 | 131.4 | 179 | 52.4 | 0 | 0 | 0 | 0 | 108.6 | P574 | P574-T576 PolarHBondContact O-N 3.41Š|
| 577 | A | 83.5 | Confident | 88 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | trans | -139.3 | 147.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P574 L582 Y618 | P574-A577 HydrophobicContact CG-CB 4.14Å; A577-L582 HydrophobicContact CB-CD1 4.04Å; A577-L582 HydrophobicContact CB-CD2 3.67Å; A577-L582 HydrophobicContact CB-CG 3.76Å; A577-Y618 HydrophobicContact CB-CE1 4.39Å | ||
| 578 | S | 88.4 | Confident | 88 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | trans | -67.1 | 139.3 | 175.2 | 78.8 | 0 | 0 | 0 | 0 | 109.9 | A580 H581 L582 | S578-A580 PolarHBondContact O-N 3.01Å; S578-H581 PolarHBondContact O-N 3.02Å; S578-H581 VanDerWaalsContact O-N 3.14Å; S578-H581 WeakPolarHBondContact OG-CB 3.12Å; S578-H581 PolarHBondContact OG-CD2 3.44Å; S578-H581 PolarHBondContact OG-N 2.94Å; S578-H581 VanDerWaalsContact OG-N 3.13Å; S578-H581 PolarHBondContact OG-ND1 2.83Å; S578-H581 VanDerWaalsContact OG-ND1 3.17Å; S578-L582 WeakPolarHBondContact O-CG 3.4Å; S578-L582 PolarHBondContact O-N 3.36Å; S578-L582 VanDerWaalsContact O-N 3.09Å | ||
| 579 | P | 88.8 | Confident | 88.1 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.3 | -35.9 | 176 | -28.1 | 35.6 | 0 | 0 | 0 | 112.8 | L582 L583 L621 | P579-L582 PolarHBondContact O-N 3.02Å; P579-L583 WeakPolarHBondContact O-CB 3.31Å; P579-L583 VanDerWaalsContact O-CG 3.27Å; P579-L583 WeakPolarHBondContact O-CG 3.31Å; P579-L583 PolarHBondContact O-N 3.17Å; P579-L621 HydrophobicContact CB-CD2 4Å |
| 580 | A | 89.6 | Confident | 88.3 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 49% | 0.488 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S578 L582 L583 L584 | S578-A580 PolarHBondContact O-N 3.01Å; A580-L582 VanDerWaalsContact C-N 3.35Å; A580-L582 PolarHBondContact O-N 3Å; A580-L583 PolarHBondContact O-N 3.22Å; A580-L584 WeakPolarHBondContact O-CG 3.44Å; A580-L584 PolarHBondContact O-N 3.04Å |
| 581 | H | 88.9 | Confident | 88.6 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.7 | -64.7 | 168 | 0 | 0 | 0 | 111.5 | H547 S578 L583 L584 L585 | H547-H581 HydrophobicContact CB-CB 4.24Å; S578-H581 PolarHBondContact O-N 3.02Å; S578-H581 VanDerWaalsContact O-N 3.14Å; S578-H581 WeakPolarHBondContact OG-CB 3.12Å; S578-H581 PolarHBondContact OG-CD2 3.44Å; S578-H581 PolarHBondContact OG-N 2.94Å; S578-H581 VanDerWaalsContact OG-N 3.13Å; S578-H581 PolarHBondContact OG-ND1 2.83Å; S578-H581 VanDerWaalsContact OG-ND1 3.17Å; H581-L583 PolarHBondContact O-N 3.36Å; H581-L584 PolarHBondContact O-N 3.43Å; H581-L585 VanDerWaalsContact O-CB 3.26Å; H581-L585 WeakPolarHBondContact O-CB 3.44Å; H581-L585 PolarHBondContact O-N 3.07Å |
| 582 | L | 88.8 | Confident | 88.8 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177 | -67.2 | 175 | 0 | 0 | 0 | 112.3 | A577 S578 P579 A580 S586 Y618 T622 | A577-L582 HydrophobicContact CB-CD1 4.04Å; A577-L582 HydrophobicContact CB-CD2 3.67Å; A577-L582 HydrophobicContact CB-CG 3.76Å; S578-L582 WeakPolarHBondContact O-CG 3.4Å; S578-L582 PolarHBondContact O-N 3.36Å; S578-L582 VanDerWaalsContact O-N 3.09Å; P579-L582 PolarHBondContact O-N 3.02Å; A580-L582 VanDerWaalsContact C-N 3.35Å; A580-L582 PolarHBondContact O-N 3Å; L582-S586 VanDerWaalsContact O-CB 3.32Å; L582-S586 WeakPolarHBondContact O-CB 3.26Å; L582-S586 PolarHBondContact O-N 3.32Å; L582-S586 PolarHBondContact O-OG 3.46Å; L582-Y618 HydrophobicContact CD1-CD1 4.11Å; L582-Y618 HydrophobicContact CD1-CE1 3.65Å; L582-Y618 HydrophobicContact CD2-CD1 3.78Å; L582-Y618 HydrophobicContact CD2-CE1 3.55Å; L582-Y618 HydrophobicContact CG-CE1 4.23Å; L582-T622 HydrophobicContact CB-CG2 3.83Å; L582-T622 HydrophobicContact CD1-CG2 4.18Å; L582-T622 HydrophobicContact CD2-CG2 4.12Å; L582-T622 HydrophobicContact CG-CG2 4.26Å |
| 583 | L | 90.8 | Very high | 89 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 177.2 | -72.7 | 170.5 | 0 | 0 | 0 | 112 | P579 A580 H581 S586 R587 A625 | P579-L583 WeakPolarHBondContact O-CB 3.31Å; P579-L583 VanDerWaalsContact O-CG 3.27Å; P579-L583 WeakPolarHBondContact O-CG 3.31Å; P579-L583 PolarHBondContact O-N 3.17Å; A580-L583 PolarHBondContact O-N 3.22Å; H581-L583 PolarHBondContact O-N 3.36Å; L583-S586 PolarHBondContact O-N 2.8Å; L583-R587 WeakPolarHBondContact O-CB 3.2Å; L583-R587 PolarHBondContact O-N 3.16Å; L583-A625 HydrophobicContact CD2-CB 3.74Å |
| 584 | L | 91.6 | Very high | 89.4 | Confident | 117 Ų | 117 | 56.9 Ų | 56.9 | 61% | 0.613 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 176.7 | -73 | 171.8 | 0 | 0 | 0 | 111.6 | A580 H581 R587 A588 | A580-L584 WeakPolarHBondContact O-CG 3.44Å; A580-L584 PolarHBondContact O-N 3.04Å; H581-L584 PolarHBondContact O-N 3.43Å; L584-R587 PolarHBondContact O-N 3.13Å; L584-A588 WeakPolarHBondContact O-CB 3.35Å; L584-A588 PolarHBondContact O-N 3.19Å |
| 585 | L | 91 | Very high | 89.7 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 177.9 | -174.2 | 64.4 | 0 | 0 | 0 | 111.7 | L553 L568 H581 A588 A589 F615 | L553-L585 HydrophobicContact CD1-CD1 4.43Å; L568-L585 HydrophobicContact CD1-CD1 4.28Å; H581-L585 VanDerWaalsContact O-CB 3.26Å; H581-L585 WeakPolarHBondContact O-CB 3.44Å; H581-L585 PolarHBondContact O-N 3.07Å; L585-A588 PolarHBondContact O-N 3.28Å; L585-A589 WeakPolarHBondContact O-CB 3.5Å; L585-A589 PolarHBondContact O-N 3.36Å; L585-F615 HydrophobicContact CD1-CE2 3.87Å; L585-F615 HydrophobicContact CD1-CZ 4.03Å; L585-F615 HydrophobicContact CD2-CD2 4.29Å; L585-F615 HydrophobicContact CD2-CE1 3.97Å; L585-F615 HydrophobicContact CD2-CE2 3.67Å; L585-F615 HydrophobicContact CD2-CZ 3.47Å; L585-F615 VanDerWaalsContact CD2-CZ 3.47Å; L585-F615 HydrophobicContact CG-CD2 4.11Å; L585-F615 HydrophobicContact CG-CE2 3.45Å; L585-F615 VanDerWaalsContact CG-CE2 3.45Å; L585-F615 HydrophobicContact CG-CZ 3.76Å |
| 586 | S | 92.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | L582 L583 A588 A589 V590 | L582-S586 VanDerWaalsContact O-CB 3.32Å; L582-S586 WeakPolarHBondContact O-CB 3.26Å; L582-S586 PolarHBondContact O-N 3.32Å; L582-S586 PolarHBondContact O-OG 3.46Å; L583-S586 PolarHBondContact O-N 2.8Å; S586-A588 PolarHBondContact O-N 2.97Å; S586-A589 PolarHBondContact O-N 3.48Å; S586-V590 WeakPolarHBondContact O-CG2 3.49Å; S586-V590 PolarHBondContact O-N 3.17Å |
| 587 | R | 93.4 | Very high | 90.6 | Very high | 167 Ų | 167 | 41.5 Ų | 41.5 | 63% | 0.63 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62 | -43.5 | 177.6 | -174 | 176 | 176.3 | 169.5 | 0.2 | 112.3 | L583 L584 T591 | L583-R587 WeakPolarHBondContact O-CB 3.2Å; L583-R587 PolarHBondContact O-N 3.16Å; L584-R587 PolarHBondContact O-N 3.13Å; R587-T591 WeakPolarHBondContact O-CB 3.43Å; R587-T591 PolarHBondContact O-N 3.38Å; R587-T591 PolarHBondContact O-OG1 3.26Å |
| 588 | A | 94 | Very high | 90.8 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L553 L554 L584 L585 S586 H592 | L553-A588 HydrophobicContact CB-CB 4.38Å; L553-A588 HydrophobicContact CD1-CB 4.09Å; L554-A588 HydrophobicContact CD1-CB 4.21Å; L554-A588 HydrophobicContact CG-CB 4.29Å; L584-A588 WeakPolarHBondContact O-CB 3.35Å; L584-A588 PolarHBondContact O-N 3.19Å; L585-A588 PolarHBondContact O-N 3.28Å; S586-A588 PolarHBondContact O-N 2.97Å; A588-H592 VanDerWaalsContact O-CB 3.31Å; A588-H592 WeakPolarHBondContact O-CB 3.37Å; A588-H592 PolarHBondContact O-N 2.75Å |
| 589 | A | 93.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L553 L585 S586 H592 F593 L611 L612 F615 | L553-A589 HydrophobicContact CD1-CB 4.19Å; L585-A589 WeakPolarHBondContact O-CB 3.5Å; L585-A589 PolarHBondContact O-N 3.36Å; S586-A589 PolarHBondContact O-N 3.48Å; A589-H592 PolarHBondContact O-N 3.44Å; A589-F593 PolarHBondContact O-N 2.75Å; A589-L611 HydrophobicContact CB-CD2 4.13Å; A589-L612 HydrophobicContact CB-CD2 3.68Å; A589-F615 HydrophobicContact CB-CD2 4.14Å; A589-F615 HydrophobicContact CB-CE2 4.23Å |
| 590 | V | 94.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | S586 H592 F593 F594 L612 I626 Q629 L630 | S586-V590 WeakPolarHBondContact O-CG2 3.49Å; S586-V590 PolarHBondContact O-N 3.17Å; V590-H592 PolarHBondContact O-N 3.46Å; V590-F593 WeakPolarHBondContact O-CB 3.47Å; V590-F593 PolarHBondContact O-N 3.03Å; V590-F594 HydrophobicContact CG1-CD2 3.92Å; V590-F594 HydrophobicContact CG1-CE2 3.49Å; V590-F594 VanDerWaalsContact CG1-CE2 3.49Å; V590-F594 VanDerWaalsContact O-CD2 3.23Å; V590-F594 WeakPolarHBondContact O-CD2 3.47Å; V590-F594 PolarHBondContact O-N 2.94Å; V590-F594 VanDerWaalsContact O-N 3.14Å; V590-L612 HydrophobicContact CG2-CD2 3.81Å; V590-I626 HydrophobicContact CG2-CG2 4.22Å; V590-Q629 HydrophobicContact CB-CB 4.35Å; V590-Q629 HydrophobicContact CG1-CB 3.98Å; V590-Q629 HydrophobicContact CG2-CB 4.2Å; V590-L630 HydrophobicContact CG1-CD2 4Å; V590-L630 HydrophobicContact CG1-CG 4.33Å; V590-L630 HydrophobicContact CG2-CD2 4.32Å; V590-L630 HydrophobicContact CG2-CG 4.2Å |
| 591 | T | 93.4 | Very high | 87.8 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | L554 R587 F593 F594 L595 | L554-T591 HydrophobicContact CD1-CG2 4.4Å; L554-T591 HydrophobicContact CD2-CG2 3.63Å; R587-T591 WeakPolarHBondContact O-CB 3.43Å; R587-T591 PolarHBondContact O-N 3.38Å; R587-T591 PolarHBondContact O-OG1 3.26Å; T591-F593 VanDerWaalsContact C-N 3.31Å; T591-F593 PolarHBondContact O-N 3.25Å; T591-F594 PolarHBondContact O-N 3.13Å; T591-L595 HydrophobicContact CG2-CD1 4.23Å; T591-L595 HydrophobicContact CG2-CG 4.47Å; T591-L595 WeakPolarHBondContact O-CG 3.33Å; T591-L595 PolarHBondContact O-N 2.87Å |
| 592 | H | 92.1 | Very high | 86.1 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 173.9 | 176.1 | -91.5 | 0 | 0 | 0 | 111.7 | L553 L554 S561 V565 A588 A589 V590 F594 L595 A596 | L553-H592 HydrophobicContact CB-CB 4.19Å; L553-H592 PolarHBondContact O-CD2 3.48Å; L554-H592 HydrophobicContact CD2-CB 4.23Å; S561-H592 PolarHBondContact OG-NE2 2.95Å; V565-H592 WeakPolarHBondContact CG2-CE1 3.31Å; V565-H592 WeakPolarHBondContact CG2-ND1 3.35Å; A588-H592 VanDerWaalsContact O-CB 3.31Å; A588-H592 WeakPolarHBondContact O-CB 3.37Å; A588-H592 PolarHBondContact O-N 2.75Å; A589-H592 PolarHBondContact O-N 3.44Å; V590-H592 PolarHBondContact O-N 3.46Å; H592-F594 PolarHBondContact O-N 2.96Å; H592-L595 PolarHBondContact O-N 3.07Å; H592-A596 WeakPolarHBondContact O-CB 3.47Å; H592-A596 PolarHBondContact O-N 3.17Å |
| 593 | F | 92.1 | Very high | 84 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.022 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.2 | -50.2 | 175 | 168.9 | -99.1 | 0 | 0 | 0 | 111.9 | A589 V590 T591 A596 L597 L612 L630 T718 L719 V722 | A589-F593 PolarHBondContact O-N 2.75Å; V590-F593 WeakPolarHBondContact O-CB 3.47Å; V590-F593 PolarHBondContact O-N 3.03Å; T591-F593 VanDerWaalsContact C-N 3.31Å; T591-F593 PolarHBondContact O-N 3.25Å; F593-A596 PolarHBondContact O-N 3.31Å; F593-L597 HydrophobicContact CD1-CD1 4.21Å; F593-L597 HydrophobicContact CE1-CD1 3.58Å; F593-L597 HydrophobicContact CE1-CG 4.46Å; F593-L597 HydrophobicContact CE2-CD1 4.26Å; F593-L597 HydrophobicContact CE2-CG 4.43Å; F593-L597 HydrophobicContact CZ-CD1 3.62Å; F593-L597 HydrophobicContact CZ-CG 4.26Å; F593-L597 PolarHBondContact O-N 3.18Å; F593-L612 HydrophobicContact CB-CD1 3.92Å; F593-L612 HydrophobicContact CD2-CD1 4.08Å; F593-L612 HydrophobicContact CG-CD1 3.98Å; F593-L630 HydrophobicContact CD1-CD2 3.83Å; F593-L630 HydrophobicContact CE1-CD2 3.98Å; F593-T718 HydrophobicContact CE2-CG2 4.2Å; F593-L719 HydrophobicContact CE1-CD1 3.94Å; F593-L719 HydrophobicContact CZ-CD1 4.33Å; F593-V722 HydrophobicContact CE2-CG2 3.83Å; F593-V722 HydrophobicContact CZ-CG2 4.26Å |
| 594 | F | 92.1 | Very high | 82.2 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 177.3 | -69 | -63.4 | 0 | 0 | 0 | 113.3 | V590 T591 H592 A596 L597 R598 L630 A634 N639 F643 | V590-F594 HydrophobicContact CG1-CD2 3.92Å; V590-F594 HydrophobicContact CG1-CE2 3.49Å; V590-F594 VanDerWaalsContact CG1-CE2 3.49Å; V590-F594 VanDerWaalsContact O-CD2 3.23Å; V590-F594 WeakPolarHBondContact O-CD2 3.47Å; V590-F594 PolarHBondContact O-N 2.94Å; V590-F594 VanDerWaalsContact O-N 3.14Å; T591-F594 PolarHBondContact O-N 3.13Å; H592-F594 PolarHBondContact O-N 2.96Å; F594-A596 PolarHBondContact O-N 3.44Å; F594-L597 HydrophobicContact CD1-CD1 4.36Å; F594-L597 PolarHBondContact O-N 3.02Å; F594-R598 PolarHBondContact O-N 3.46Å; F594-R598 VanDerWaalsContact O-N 3.11Å; F594-L630 HydrophobicContact CZ-CD2 4.4Å; F594-A634 HydrophobicContact CE1-CB 4.44Å; F594-A634 HydrophobicContact CZ-CB 4.45Å; F594-N639 HydrophobicContact CD1-CB 4.36Å; F594-N639 WeakPolarHBondContact CG-ND2 3.47Å; F594-F643 HydrophobicContact CD1-CE2 4.17Å; F594-F643 HydrophobicContact CD1-CZ 4.18Å; F594-F643 AromaticContact CE1-CE2 3.73Å; F594-F643 HydrophobicContact CE1-CE2 3.73Å; F594-F643 AromaticContact CE1-CZ 3.77Å; F594-F643 HydrophobicContact CE1-CZ 3.77Å |
| 595 | L | 89.6 | Confident | 80.7 | Confident | 63 Ų | 63 | 54 Ų | 54 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.6 | -37 | 174.6 | -73.4 | 175.5 | 0 | 0 | 0 | 111.7 | L554 T591 H592 R598 R599 | L554-L595 HydrophobicContact CD2-CD1 4.01Å; T591-L595 HydrophobicContact CG2-CD1 4.23Å; T591-L595 HydrophobicContact CG2-CG 4.47Å; T591-L595 WeakPolarHBondContact O-CG 3.33Å; T591-L595 PolarHBondContact O-N 2.87Å; H592-L595 PolarHBondContact O-N 3.07Å; L595-R598 PolarHBondContact O-N 3.48Å; L595-R599 WeakPolarHBondContact O-CG 3.41Å; L595-R599 PolarHBondContact O-N 3.31Å |
| 596 | A | 87.2 | Confident | 79.4 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -80.1 | -25.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H592 F593 F594 R608 | H592-A596 WeakPolarHBondContact O-CB 3.47Å; H592-A596 PolarHBondContact O-N 3.17Å; F593-A596 PolarHBondContact O-N 3.31Å; F594-A596 PolarHBondContact O-N 3.44Å; A596-R608 PolarHBondContact O-NH1 3.02Å |
| 597 | L | 87.2 | Confident | 78.1 | Confident | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 166.6 | -73.7 | 176.9 | 0 | 0 | 0 | 111.6 | F593 F594 R599 R600 L642 F643 T718 | F593-L597 HydrophobicContact CD1-CD1 4.21Å; F593-L597 HydrophobicContact CE1-CD1 3.58Å; F593-L597 HydrophobicContact CE1-CG 4.46Å; F593-L597 HydrophobicContact CE2-CD1 4.26Å; F593-L597 HydrophobicContact CE2-CG 4.43Å; F593-L597 HydrophobicContact CZ-CD1 3.62Å; F593-L597 HydrophobicContact CZ-CG 4.26Å; F593-L597 PolarHBondContact O-N 3.18Å; F594-L597 HydrophobicContact CD1-CD1 4.36Å; F594-L597 PolarHBondContact O-N 3.02Å; L597-R599 VanDerWaalsContact C-N 3.28Å; L597-R599 PolarHBondContact O-N 3.16Å; L597-R600 PolarHBondContact O-N 3.25Å; L597-L642 HydrophobicContact CB-CD1 4.42Å; L597-F643 HydrophobicContact CD1-CE1 4.3Å; L597-F643 HydrophobicContact CD1-CZ 3.92Å; L597-T718 HydrophobicContact CD2-CG2 4.28Å |
| 598 | R | 86.3 | Confident | 77.3 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 177.1 | -71.6 | -179 | 178.8 | -90.2 | -1.6 | 113.5 | F594 L595 R600 G638 N639 E641 L642 | F594-R598 PolarHBondContact O-N 3.46Å; F594-R598 VanDerWaalsContact O-N 3.11Å; L595-R598 PolarHBondContact O-N 3.48Å; R598-R600 VanDerWaalsContact C-N 3.25Å; R598-R600 PolarHBondContact O-N 3.24Å; R598-G638 PolarHBondContact NH2-O 3.42Å; R598-N639 PolarHBondContact NE-OD1 3.03Å; R598-N639 PolarHBondContact NH2-OD1 3.08Å; R598-E641 IonicContact CZ-OE1 3.31Å; R598-E641 IonicContact NH1-OE1 2.84Å; R598-E641 PolarHBondContact NH1-OE1 2.91Å; R598-E641 IonicContact NH2-OE1 3.14Å; R598-L642 HydrophobicContact CG-CD1 3.73Å; R598-L642 HydrophobicContact CG-CD2 3.93Å; R598-L642 HydrophobicContact CG-CG 4.31Å |
| 599 | R | 81.1 | Confident | 76.6 | Confident | 130 Ų | 130 | 54.5 Ų | 54.5 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 0.4 | -174.9 | -69.1 | 175 | 177.3 | 172.5 | -4.1 | 114.1 | L595 L597 G601 | L595-R599 WeakPolarHBondContact O-CG 3.41Å; L595-R599 PolarHBondContact O-N 3.31Å; L597-R599 VanDerWaalsContact C-N 3.28Å; L597-R599 PolarHBondContact O-N 3.16Å; R599-G601 PolarHBondContact O-N 2.98Å |
| 600 | R | 66.9 | Low | 76.1 | Confident | 170 Ų | 170 | 58.4 Ų | 58.4 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.3 | 32.4 | 177.8 | -70.8 | -168 | -178.9 | -153.3 | -2.5 | 116 | L597 R598 D708 | L597-R600 PolarHBondContact O-N 3.25Å; R598-R600 VanDerWaalsContact C-N 3.25Å; R598-R600 PolarHBondContact O-N 3.24Å; R600-D708 IonicContact CZ-OD2 3.73Å; R600-D708 IonicContact NH1-OD2 2.76Å; R600-D708 PolarHBondContact NH1-OD2 2.9Å; R600-D708 IonicContact NH2-OD2 3.95Å |
| 601 | G | 57.6 | Low | 75.8 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | trans | -91.8 | 129.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R599 A603 | R599-G601 PolarHBondContact O-N 2.98Å; G601-A603 VanDerWaalsContact C-N 3.31Å | ||
| 602 | E | 51.3 | Low | 75.7 | Confident | 164 Ų | 164 | 56 Ų | 56 | 77% | 0.766 | 29% | 0.288 | S | S | * | . | trans | -67.8 | -29.1 | 173.9 | -65.7 | -162.4 | 139.8 | 0 | 0 | 113.5 | G604 | E602-G604 PolarHBondContact O-N 3.17Å; E602-G604 VanDerWaalsContact O-N 3.08Å | ||
| 603 | A | 45.2 | Very low | 75.5 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 108.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G601 R608 | G601-A603 VanDerWaalsContact C-N 3.31Å; A603-R608 PolarHBondContact O-NH2 3.27Å |
| 604 | G | 54 | Low | 75.3 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | 13.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117 | E602 T606 G607 R608 | E602-G604 PolarHBondContact O-N 3.17Å; E602-G604 VanDerWaalsContact O-N 3.08Å; G604-T606 VanDerWaalsContact C-N 3.3Å; G604-T606 PolarHBondContact O-N 2.97Å; G604-G607 PolarHBondContact O-N 3.33Å; G604-R608 VanDerWaalsContact O-CG 3.31Å; G604-R608 WeakPolarHBondContact O-CG 3.46Å; G604-R608 PolarHBondContact O-N 3.41Å; G604-R608 PolarHBondContact O-NE 3.21Å |
| 605 | K | 60.3 | Low | 75.1 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -51.4 | -48.6 | 174 | -69.6 | 177.8 | 178.9 | 172.1 | 0 | 111.7 | G607 R608 V609 | K605-G607 PolarHBondContact O-N 2.97Å; K605-R608 PolarHBondContact O-N 3.39Å; K605-V609 WeakPolarHBondContact O-CG2 3.27Å; K605-V609 PolarHBondContact O-N 3.28Å |
| 606 | T | 63.2 | Low | 75.2 | Confident | 124 Ų | 124 | 55.6 Ų | 55.6 | 76% | 0.761 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | -179.7 | 14.6 | 0 | 0 | 0 | 0 | 114.1 | G604 R608 L610 | G604-T606 VanDerWaalsContact C-N 3.3Å; G604-T606 PolarHBondContact O-N 2.97Å; T606-R608 PolarHBondContact O-N 3.48Å; T606-L610 WeakPolarHBondContact O-CB 3.37Å; T606-L610 PolarHBondContact O-N 2.81Å; T606-L610 VanDerWaalsContact O-N 3.09Å |
| 607 | G | 65.7 | Low | 75.2 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.2 | -34.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S569 G604 K605 L611 | S569-G607 PolarHBondContact OG-O 2.94Å; S569-G607 VanDerWaalsContact OG-O 3.1Å; G604-G607 PolarHBondContact O-N 3.33Å; K605-G607 PolarHBondContact O-N 2.97Å; G607-L611 WeakPolarHBondContact O-CB 3.29Å; G607-L611 PolarHBondContact O-N 2.81Å |
| 608 | R | 75 | Confident | 75.2 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.2 | -41.7 | -179.7 | -62.3 | 166 | -160.8 | 173.4 | 6 | 112 | V565 A596 A603 G604 K605 T606 L612 | V565-R608 HydrophobicContact CG1-CG 4.41Å; A596-R608 PolarHBondContact O-NH1 3.02Å; A603-R608 PolarHBondContact O-NH2 3.27Å; G604-R608 VanDerWaalsContact O-CG 3.31Å; G604-R608 WeakPolarHBondContact O-CG 3.46Å; G604-R608 PolarHBondContact O-N 3.41Å; G604-R608 PolarHBondContact O-NE 3.21Å; K605-R608 PolarHBondContact O-N 3.39Å; T606-R608 PolarHBondContact O-N 3.48Å; R608-L612 PolarHBondContact O-N 3.02Å |
| 609 | V | 79.7 | Confident | 75.4 | Confident | 25 Ų | 25 | 57 Ų | 57 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -49.4 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | K605 L611 L612 T613 V722 | K605-V609 WeakPolarHBondContact O-CG2 3.27Å; K605-V609 PolarHBondContact O-N 3.28Å; V609-L611 VanDerWaalsContact C-N 3.3Å; V609-L611 PolarHBondContact O-N 2.98Å; V609-L612 PolarHBondContact O-N 3.2Å; V609-T613 HydrophobicContact CG1-CG2 4.16Å; V609-T613 VanDerWaalsContact O-CG2 3.24Å; V609-T613 WeakPolarHBondContact O-CG2 3.37Å; V609-T613 PolarHBondContact O-N 3.11Å; V609-T613 PolarHBondContact O-OG1 3.24Å; V609-T613 VanDerWaalsContact O-OG1 3.13Å; V609-V722 HydrophobicContact CB-CG2 4.23Å; V609-V722 HydrophobicContact CG1-CG2 4.06Å; V609-V722 HydrophobicContact CG2-CG2 3.71Å |
| 610 | L | 83.6 | Confident | 75.8 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 44% | 0.44 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 179.2 | -177.4 | 64 | 0 | 0 | 0 | 112.8 | T606 T613 R614 | T606-L610 WeakPolarHBondContact O-CB 3.37Å; T606-L610 PolarHBondContact O-N 2.81Å; T606-L610 VanDerWaalsContact O-N 3.09Å; L610-T613 WeakPolarHBondContact CA-OG1 3.27Å; L610-T613 PolarHBondContact O-OG1 3.4Å; L610-R614 WeakPolarHBondContact O-CB 3.42Å; L610-R614 PolarHBondContact O-N 3.37Å |
| 611 | L | 88.6 | Confident | 76.9 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -51.7 | 177.9 | -178.4 | 65.7 | 0 | 0 | 0 | 111.8 | L553 V565 L568 A589 G607 V609 R614 F615 | L553-L611 HydrophobicContact CD1-CD2 4.25Å; L553-L611 HydrophobicContact CD2-CD2 4Å; V565-L611 HydrophobicContact CG1-CD2 4.39Å; V565-L611 HydrophobicContact CG2-CD2 4.27Å; L568-L611 HydrophobicContact CB-CD1 3.52Å; A589-L611 HydrophobicContact CB-CD2 4.13Å; G607-L611 WeakPolarHBondContact O-CB 3.29Å; G607-L611 PolarHBondContact O-N 2.81Å; V609-L611 VanDerWaalsContact C-N 3.3Å; V609-L611 PolarHBondContact O-N 2.98Å; L611-R614 PolarHBondContact O-N 3.16Å; L611-F615 HydrophobicContact CD1-CD2 4.2Å; L611-F615 HydrophobicContact CD1-CE1 3.98Å; L611-F615 HydrophobicContact CD1-CE2 3.54Å; L611-F615 HydrophobicContact CD1-CZ 3.42Å; L611-F615 VanDerWaalsContact CD1-CZ 3.42Å; L611-F615 HydrophobicContact CD2-CE2 4.45Å; L611-F615 HydrophobicContact CG-CD2 4.27Å; L611-F615 HydrophobicContact CG-CE2 3.91Å; L611-F615 HydrophobicContact CG-CZ 4.3Å; L611-F615 PolarHBondContact O-N 3.27Å |
| 612 | L | 90.4 | Very high | 78.5 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | -177.7 | -74.3 | 174.1 | 0 | 0 | 0 | 111.6 | A589 V590 F593 R608 V609 R614 F615 A616 I626 L630 V722 | A589-L612 HydrophobicContact CB-CD2 3.68Å; V590-L612 HydrophobicContact CG2-CD2 3.81Å; F593-L612 HydrophobicContact CB-CD1 3.92Å; F593-L612 HydrophobicContact CD2-CD1 4.08Å; F593-L612 HydrophobicContact CG-CD1 3.98Å; R608-L612 PolarHBondContact O-N 3.02Å; V609-L612 PolarHBondContact O-N 3.2Å; L612-R614 VanDerWaalsContact C-N 3.31Å; L612-R614 PolarHBondContact O-N 3.25Å; L612-F615 PolarHBondContact O-N 3.22Å; L612-A616 VanDerWaalsContact O-CB 3.24Å; L612-A616 WeakPolarHBondContact O-CB 3.32Å; L612-A616 PolarHBondContact O-N 2.91Å; L612-I626 HydrophobicContact CD2-CG2 4.17Å; L612-L630 HydrophobicContact CD1-CD2 4.34Å; L612-V722 HydrophobicContact CB-CG1 4.16Å; L612-V722 HydrophobicContact CD1-CG1 3.75Å |
| 613 | T | 88.9 | Confident | 80.5 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -37.2 | -179.7 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | V609 L610 A616 A617 Q725 | V609-T613 HydrophobicContact CG1-CG2 4.16Å; V609-T613 VanDerWaalsContact O-CG2 3.24Å; V609-T613 WeakPolarHBondContact O-CG2 3.37Å; V609-T613 PolarHBondContact O-N 3.11Å; V609-T613 PolarHBondContact O-OG1 3.24Å; V609-T613 VanDerWaalsContact O-OG1 3.13Å; L610-T613 WeakPolarHBondContact CA-OG1 3.27Å; L610-T613 PolarHBondContact O-OG1 3.4Å; T613-A616 PolarHBondContact O-N 3.2Å; T613-A617 WeakPolarHBondContact O-CB 3.46Å; T613-A617 PolarHBondContact O-N 2.89Å; T613-Q725 HydrophobicContact CG2-CB 3.61Å; T613-Q725 VanDerWaalsContact CG2-CD 3.49Å; T613-Q725 HydrophobicContact CG2-CG 3.41Å; T613-Q725 VanDerWaalsContact CG2-CG 3.41Å |
| 614 | R | 87.7 | Confident | 82.8 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | 176.4 | -176.5 | -173.4 | 166.8 | 129.6 | 20.1 | 112.3 | S569 C570 S571 L573 L610 L611 L612 A617 Y618 | S569-R614 WeakPolarHBondContact O-CD 3.46Å; S569-R614 PolarHBondContact O-NH1 3.18Å; C570-R614 PolarHBondContact O-NH1 2.59Å; C570-R614 VanDerWaalsContact O-NH1 3.14Å; S571-R614 PolarHBondContact O-NH2 2.91Å; L573-R614 HydrophobicContact CD1-CG 4Å; L610-R614 WeakPolarHBondContact O-CB 3.42Å; L610-R614 PolarHBondContact O-N 3.37Å; L611-R614 PolarHBondContact O-N 3.16Å; L612-R614 VanDerWaalsContact C-N 3.31Å; L612-R614 PolarHBondContact O-N 3.25Å; R614-A617 PolarHBondContact O-N 3.17Å; R614-Y618 PolarHBondContact O-N 3.48Å |
| 615 | F | 88.7 | Confident | 84.8 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.4 | -35.3 | 174.6 | -69.4 | -12.4 | 0 | 0 | 0 | 112.2 | L568 L573 L585 A589 L611 L612 A617 Y618 T622 I626 | L568-F615 HydrophobicContact CB-CZ 4.3Å; L573-F615 HydrophobicContact CD1-CD1 4.46Å; L573-F615 HydrophobicContact CD2-CD1 3.82Å; L573-F615 HydrophobicContact CD2-CE1 3.75Å; L585-F615 HydrophobicContact CD1-CE2 3.87Å; L585-F615 HydrophobicContact CD1-CZ 4.03Å; L585-F615 HydrophobicContact CD2-CD2 4.29Å; L585-F615 HydrophobicContact CD2-CE1 3.97Å; L585-F615 HydrophobicContact CD2-CE2 3.67Å; L585-F615 HydrophobicContact CD2-CZ 3.47Å; L585-F615 VanDerWaalsContact CD2-CZ 3.47Å; L585-F615 HydrophobicContact CG-CD2 4.11Å; L585-F615 HydrophobicContact CG-CE2 3.45Å; L585-F615 VanDerWaalsContact CG-CE2 3.45Å; L585-F615 HydrophobicContact CG-CZ 3.76Å; A589-F615 HydrophobicContact CB-CD2 4.14Å; A589-F615 HydrophobicContact CB-CE2 4.23Å; L611-F615 HydrophobicContact CD1-CD2 4.2Å; L611-F615 HydrophobicContact CD1-CE1 3.98Å; L611-F615 HydrophobicContact CD1-CE2 3.54Å; L611-F615 HydrophobicContact CD1-CZ 3.42Å; L611-F615 VanDerWaalsContact CD1-CZ 3.42Å; L611-F615 HydrophobicContact CD2-CE2 4.45Å; L611-F615 HydrophobicContact CG-CD2 4.27Å; L611-F615 HydrophobicContact CG-CE2 3.91Å; L611-F615 HydrophobicContact CG-CZ 4.3Å; L611-F615 PolarHBondContact O-N 3.27Å; L612-F615 PolarHBondContact O-N 3.22Å; F615-A617 VanDerWaalsContact C-N 3.32Å; F615-A617 PolarHBondContact O-N 3.18Å; F615-Y618 VanDerWaalsContact O-CB 3.26Å; F615-Y618 WeakPolarHBondContact O-CB 3.07Å; F615-Y618 PolarHBondContact O-N 3.18Å; F615-T622 WeakPolarHBondContact O-CB 3.38Å; F615-T622 PolarHBondContact O-OG1 3.34Å; F615-I626 HydrophobicContact CB-CD1 3.63Å |
| 616 | A | 89.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L612 T613 Y618 L623 I626 C726 | L612-A616 VanDerWaalsContact O-CB 3.24Å; L612-A616 WeakPolarHBondContact O-CB 3.32Å; L612-A616 PolarHBondContact O-N 2.91Å; T613-A616 PolarHBondContact O-N 3.2Å; A616-Y618 PolarHBondContact O-N 3.34Å; A616-L623 HydrophobicContact CB-CD1 3.85Å; A616-L623 WeakPolarHBondContact O-CB 3.39Å; A616-I626 HydrophobicContact CB-CD1 4.14Å; A616-C726 HydrophobicContact CB-CB 3.91Å |
| 617 | A | 88.4 | Confident | 88.1 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 41% | 0.413 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T613 R614 F615 | T613-A617 WeakPolarHBondContact O-CB 3.46Å; T613-A617 PolarHBondContact O-N 2.89Å; R614-A617 PolarHBondContact O-N 3.17Å; F615-A617 VanDerWaalsContact C-N 3.32Å; F615-A617 PolarHBondContact O-N 3.18Å |
| 618 | Y | 87.9 | Confident | 89.5 | Confident | 58 Ų | 58 | 35.2 Ų | 35.2 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -42.6 | -177.1 | -178.8 | -107.3 | 0 | 0 | 0 | 113.5 | L573 P574 A577 L582 R614 F615 A616 T622 | L573-Y618 HydrophobicContact CB-CD2 3.6Å; L573-Y618 HydrophobicContact CB-CE2 3.69Å; L573-Y618 HydrophobicContact CD1-CD2 3.69Å; L573-Y618 HydrophobicContact CD1-CG 4.21Å; L573-Y618 HydrophobicContact CD2-CD2 4.18Å; L573-Y618 HydrophobicContact CG-CD2 4.01Å; P574-Y618 WeakPolarHBondContact O-CE2 3.27Å; P574-Y618 PolarHBondContact O-OH 2.96Å; A577-Y618 HydrophobicContact CB-CE1 4.39Å; L582-Y618 HydrophobicContact CD1-CD1 4.11Å; L582-Y618 HydrophobicContact CD1-CE1 3.65Å; L582-Y618 HydrophobicContact CD2-CD1 3.78Å; L582-Y618 HydrophobicContact CD2-CE1 3.55Å; L582-Y618 HydrophobicContact CG-CE1 4.23Å; R614-Y618 PolarHBondContact O-N 3.48Å; F615-Y618 VanDerWaalsContact O-CB 3.26Å; F615-Y618 WeakPolarHBondContact O-CB 3.07Å; F615-Y618 PolarHBondContact O-N 3.18Å; A616-Y618 PolarHBondContact O-N 3.34Å; Y618-T622 HydrophobicContact CD1-CG2 4.19Å |
| 619 | S | 89.4 | Confident | 90.5 | Very high | 37 Ų | 37 | 35.5 Ų | 35.5 | 26% | 0.259 | 19% | 0.194 | S | C | . | . | trans | -160.4 | 157.6 | -176.2 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | L621 T622 L623 | S619-L621 PolarHBondContact O-N 3.36Å; S619-L621 PolarHBondContact OG-N 2.9Å; S619-T622 PolarHBondContact N-OG1 3.16Å; S619-T622 VanDerWaalsContact N-OG1 3.13Å; S619-T622 PolarHBondContact O-N 3.02Å; S619-T622 PolarHBondContact O-OG1 3.44Å; S619-T622 WeakPolarHBondContact OG-CG2 3.48Å; S619-T622 PolarHBondContact OG-N 3.41Å; S619-T622 VanDerWaalsContact OG-N 3.07Å; S619-T622 PolarHBondContact OG-OG1 2.93Å; S619-L623 PolarHBondContact O-N 3.49Å | ||
| 620 | A | 89.7 | Confident | 91.3 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 58% | 0.579 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -59.6 | -31.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K624 | A620-K624 VanDerWaalsContact O-CG 3.22Å; A620-K624 WeakPolarHBondContact O-CG 3.35Å; A620-K624 PolarHBondContact O-N 2.89Å |
| 621 | L | 90.1 | Very high | 91.9 | Very high | 82 Ų | 82 | 30.3 Ų | 30.3 | 43% | 0.429 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.9 | -47.7 | 178 | -179.6 | 68 | 0 | 0 | 0 | 111.8 | P579 S619 K624 A625 | P579-L621 HydrophobicContact CB-CD2 4Å; S619-L621 PolarHBondContact O-N 3.36Å; S619-L621 PolarHBondContact OG-N 2.9Å; L621-K624 PolarHBondContact O-N 2.89Å; L621-A625 WeakPolarHBondContact O-CB 3.31Å; L621-A625 PolarHBondContact O-N 3.49Å |
| 622 | T | 91.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 178.6 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | L582 F615 Y618 S619 K624 A625 I626 | L582-T622 HydrophobicContact CB-CG2 3.83Å; L582-T622 HydrophobicContact CD1-CG2 4.18Å; L582-T622 HydrophobicContact CD2-CG2 4.12Å; L582-T622 HydrophobicContact CG-CG2 4.26Å; F615-T622 WeakPolarHBondContact O-CB 3.38Å; F615-T622 PolarHBondContact O-OG1 3.34Å; Y618-T622 HydrophobicContact CD1-CG2 4.19Å; S619-T622 PolarHBondContact N-OG1 3.16Å; S619-T622 VanDerWaalsContact N-OG1 3.13Å; S619-T622 PolarHBondContact O-N 3.02Å; S619-T622 PolarHBondContact O-OG1 3.44Å; S619-T622 WeakPolarHBondContact OG-CG2 3.48Å; S619-T622 PolarHBondContact OG-N 3.41Å; S619-T622 VanDerWaalsContact OG-N 3.07Å; S619-T622 PolarHBondContact OG-OG1 2.93Å; T622-K624 PolarHBondContact O-N 2.69Å; T622-A625 PolarHBondContact O-N 2.92Å; T622-I626 WeakPolarHBondContact O-CB 3.49Å; T622-I626 VanDerWaalsContact O-CG1 3.26Å; T622-I626 WeakPolarHBondContact O-CG1 3.47Å; T622-I626 PolarHBondContact O-N 3.41Å |
| 623 | L | 93.2 | Very high | 92.4 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.7 | -52.4 | 171 | 179.6 | 61.8 | 0 | 0 | 0 | 111 | A616 S619 A625 I626 L627 C726 A751 | A616-L623 HydrophobicContact CB-CD1 3.85Å; A616-L623 WeakPolarHBondContact O-CB 3.39Å; S619-L623 PolarHBondContact O-N 3.49Å; L623-A625 PolarHBondContact O-N 2.79Å; L623-I626 PolarHBondContact O-N 3.11Å; L623-L627 HydrophobicContact CD1-CD1 3.75Å; L623-L627 HydrophobicContact CD1-CG 4.11Å; L623-L627 HydrophobicContact CG-CD1 4Å; L623-L627 WeakPolarHBondContact O-CB 3.26Å; L623-L627 VanDerWaalsContact O-CG 3.31Å; L623-L627 WeakPolarHBondContact O-CG 3.32Å; L623-L627 PolarHBondContact O-N 2.85Å; L623-C726 HydrophobicContact CD1-CB 4.33Å; L623-C726 WeakPolarHBondContact CD1-O 3.43Å; L623-A751 HydrophobicContact CD2-CB 4.1Å |
| 624 | K | 94 | Very high | 92.7 | Very high | 100 Ų | 100 | 33.6 Ų | 33.6 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 179.6 | -72 | -177.1 | -176.3 | -170.5 | 0 | 111.8 | A620 L621 T622 I626 L627 Q628 V754 | A620-K624 VanDerWaalsContact O-CG 3.22Å; A620-K624 WeakPolarHBondContact O-CG 3.35Å; A620-K624 PolarHBondContact O-N 2.89Å; L621-K624 PolarHBondContact O-N 2.89Å; T622-K624 PolarHBondContact O-N 2.69Å; K624-I626 PolarHBondContact O-N 3.06Å; K624-L627 PolarHBondContact O-N 3.5Å; K624-Q628 VanDerWaalsContact O-CB 3.24Å; K624-Q628 WeakPolarHBondContact O-CB 3.26Å; K624-Q628 PolarHBondContact O-N 2.96Å; K624-V754 HydrophobicContact CB-CG1 4.4Å; K624-V754 HydrophobicContact CB-CG2 4.49Å; K624-V754 HydrophobicContact CD-CG2 4.24Å; K624-V754 HydrophobicContact CG-CG1 4.43Å; K624-V754 HydrophobicContact CG-CG2 3.66Å |
| 625 | A | 94.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L583 L621 T622 L623 Q629 | L583-A625 HydrophobicContact CD2-CB 3.74Å; L621-A625 WeakPolarHBondContact O-CB 3.31Å; L621-A625 PolarHBondContact O-N 3.49Å; T622-A625 PolarHBondContact O-N 2.92Å; L623-A625 PolarHBondContact O-N 2.79Å; A625-Q629 VanDerWaalsContact O-CB 3.29Å; A625-Q629 WeakPolarHBondContact O-CB 3.38Å; A625-Q629 WeakPolarHBondContact O-CG 3.26Å; A625-Q629 PolarHBondContact O-N 3.32Å |
| 626 | I | 96 | Very high | 93 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -47.5 | 179.4 | -71.3 | 168.3 | 0 | 0 | 0 | 110.7 | V590 L612 F615 A616 T622 L623 K624 Q629 L630 | V590-I626 HydrophobicContact CG2-CG2 4.22Å; L612-I626 HydrophobicContact CD2-CG2 4.17Å; F615-I626 HydrophobicContact CB-CD1 3.63Å; A616-I626 HydrophobicContact CB-CD1 4.14Å; T622-I626 WeakPolarHBondContact O-CB 3.49Å; T622-I626 VanDerWaalsContact O-CG1 3.26Å; T622-I626 WeakPolarHBondContact O-CG1 3.47Å; T622-I626 PolarHBondContact O-N 3.41Å; L623-I626 PolarHBondContact O-N 3.11Å; K624-I626 PolarHBondContact O-N 3.06Å; I626-Q629 PolarHBondContact O-N 2.93Å; I626-L630 HydrophobicContact CG2-CD1 3.7Å; I626-L630 HydrophobicContact CG2-CG 4.27Å; I626-L630 WeakPolarHBondContact O-CB 3.22Å; I626-L630 VanDerWaalsContact O-CG 3.24Å; I626-L630 WeakPolarHBondContact O-CG 3.27Å; I626-L630 PolarHBondContact O-N 3.38Å |
| 627 | L | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | 179.2 | -69.5 | 177 | 0 | 0 | 0 | 111.4 | L623 K624 L630 V631 I723 C726 A751 V754 I755 | L623-L627 HydrophobicContact CD1-CD1 3.75Å; L623-L627 HydrophobicContact CD1-CG 4.11Å; L623-L627 HydrophobicContact CG-CD1 4Å; L623-L627 WeakPolarHBondContact O-CB 3.26Å; L623-L627 VanDerWaalsContact O-CG 3.31Å; L623-L627 WeakPolarHBondContact O-CG 3.32Å; L623-L627 PolarHBondContact O-N 2.85Å; K624-L627 PolarHBondContact O-N 3.5Å; L627-L630 PolarHBondContact O-N 3.37Å; L627-V631 WeakPolarHBondContact O-CG2 3.33Å; L627-V631 PolarHBondContact O-N 3.49Å; L627-I723 HydrophobicContact CD2-CG2 4.16Å; L627-C726 HydrophobicContact CD2-CB 4Å; L627-A751 HydrophobicContact CD1-CB 3.9Å; L627-V754 HydrophobicContact CB-CG1 4.2Å; L627-I755 HydrophobicContact CB-CG1 4.34Å; L627-I755 HydrophobicContact CD1-CG1 4.34Å; L627-I755 HydrophobicContact CD2-CD1 4.28Å; L627-I755 HydrophobicContact CD2-CG1 4.38Å |
| 628 | Q | 96.2 | Very high | 92.6 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.2 | -50.9 | 176.4 | 178.6 | 175.1 | 0.1 | 0 | 0 | 111.3 | K624 L630 V631 E632 T758 | K624-Q628 VanDerWaalsContact O-CB 3.24Å; K624-Q628 WeakPolarHBondContact O-CB 3.26Å; K624-Q628 PolarHBondContact O-N 2.96Å; Q628-L630 VanDerWaalsContact C-N 3.33Å; Q628-L630 PolarHBondContact O-N 3.09Å; Q628-V631 PolarHBondContact O-N 3.21Å; Q628-E632 HydrophobicContact CG-CG 4.31Å; Q628-E632 WeakPolarHBondContact CG-OE1 3.42Å; Q628-E632 PolarHBondContact NE2-OE1 3.13Å; Q628-E632 WeakPolarHBondContact O-CB 3.48Å; Q628-E632 WeakPolarHBondContact O-CG 3.34Å; Q628-E632 PolarHBondContact O-N 3.4Å; Q628-T758 HydrophobicContact CB-CG2 4.44Å; Q628-T758 HydrophobicContact CG-CG2 3.92Å |
| 629 | Q | 96.1 | Very high | 92.7 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.5 | -29.8 | -179 | -71.1 | 173.3 | 0.6 | 0 | 0 | 113.5 | V590 A625 I626 G633 | V590-Q629 HydrophobicContact CB-CB 4.35Å; V590-Q629 HydrophobicContact CG1-CB 3.98Å; V590-Q629 HydrophobicContact CG2-CB 4.2Å; A625-Q629 VanDerWaalsContact O-CB 3.29Å; A625-Q629 WeakPolarHBondContact O-CB 3.38Å; A625-Q629 WeakPolarHBondContact O-CG 3.26Å; A625-Q629 PolarHBondContact O-N 3.32Å; I626-Q629 PolarHBondContact O-N 2.93Å; Q629-G633 VanDerWaalsContact O-CA 3.29Å; Q629-G633 WeakPolarHBondContact O-CA 3.41Å; Q629-G633 PolarHBondContact O-N 2.94Å |
| 630 | L | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.7 | -43 | 173.7 | -76.5 | 169.7 | 0 | 0 | 0 | 111.2 | V590 F593 F594 L612 I626 L627 Q628 A634 L719 V722 I723 | V590-L630 HydrophobicContact CG1-CD2 4Å; V590-L630 HydrophobicContact CG1-CG 4.33Å; V590-L630 HydrophobicContact CG2-CD2 4.32Å; V590-L630 HydrophobicContact CG2-CG 4.2Å; F593-L630 HydrophobicContact CD1-CD2 3.83Å; F593-L630 HydrophobicContact CE1-CD2 3.98Å; F594-L630 HydrophobicContact CZ-CD2 4.4Å; L612-L630 HydrophobicContact CD1-CD2 4.34Å; I626-L630 HydrophobicContact CG2-CD1 3.7Å; I626-L630 HydrophobicContact CG2-CG 4.27Å; I626-L630 WeakPolarHBondContact O-CB 3.22Å; I626-L630 VanDerWaalsContact O-CG 3.24Å; I626-L630 WeakPolarHBondContact O-CG 3.27Å; I626-L630 PolarHBondContact O-N 3.38Å; L627-L630 PolarHBondContact O-N 3.37Å; Q628-L630 VanDerWaalsContact C-N 3.33Å; Q628-L630 PolarHBondContact O-N 3.09Å; L630-A634 VanDerWaalsContact O-CB 3.3Å; L630-A634 WeakPolarHBondContact O-CB 3.32Å; L630-A634 PolarHBondContact O-N 3.42Å; L630-L719 HydrophobicContact CB-CD1 4.41Å; L630-L719 HydrophobicContact CD2-CD1 4.16Å; L630-V722 HydrophobicContact CD1-CG1 3.86Å; L630-I723 HydrophobicContact CD1-CG1 4.16Å |
| 631 | V | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.7 | -54.5 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | L627 Q628 G633 A634 L635 I755 T758 L759 | L627-V631 WeakPolarHBondContact O-CG2 3.33Å; L627-V631 PolarHBondContact O-N 3.49Å; Q628-V631 PolarHBondContact O-N 3.21Å; V631-G633 VanDerWaalsContact C-N 3.29Å; V631-G633 PolarHBondContact O-N 3Å; V631-A634 PolarHBondContact O-N 3.21Å; V631-A634 VanDerWaalsContact O-N 3.16Å; V631-L635 HydrophobicContact CG1-CD1 4.17Å; V631-L635 WeakPolarHBondContact O-CG 3.48Å; V631-L635 PolarHBondContact O-N 3.14Å; V631-L635 VanDerWaalsContact O-N 3.12Å; V631-I755 HydrophobicContact CG2-CG2 4Å; V631-T758 HydrophobicContact CB-CG2 3.9Å; V631-T758 HydrophobicContact CG1-CG2 3.78Å; V631-L759 HydrophobicContact CG1-CD2 3.78Å; V631-L759 HydrophobicContact CG1-CG 4.12Å |
| 632 | E | 95.3 | Very high | 92.5 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 31% | 0.308 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.7 | -44.9 | 176.6 | -72.9 | 173.7 | -176.4 | 0 | 0 | 111.1 | Q628 A634 L635 H636 T758 N762 | Q628-E632 HydrophobicContact CG-CG 4.31Å; Q628-E632 WeakPolarHBondContact CG-OE1 3.42Å; Q628-E632 PolarHBondContact NE2-OE1 3.13Å; Q628-E632 WeakPolarHBondContact O-CB 3.48Å; Q628-E632 WeakPolarHBondContact O-CG 3.34Å; Q628-E632 PolarHBondContact O-N 3.4Å; E632-A634 VanDerWaalsContact C-N 3.3Å; E632-A634 PolarHBondContact O-N 2.95Å; E632-L635 CarbonylContact O-C 3.18Å; E632-L635 PolarHBondContact O-N 2.71Å; E632-H636 VanDerWaalsContact O-CB 3.31Å; E632-H636 WeakPolarHBondContact O-CB 3.38Å; E632-H636 PolarHBondContact O-N 2.92Å; E632-T758 HydrophobicContact CG-CG2 3.89Å; E632-N762 WeakPolarHBondContact CG-ND2 3.44Å |
| 633 | G | 94.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.4 | -28.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q629 V631 N639 | Q629-G633 VanDerWaalsContact O-CA 3.29Å; Q629-G633 WeakPolarHBondContact O-CA 3.41Å; Q629-G633 PolarHBondContact O-N 2.94Å; V631-G633 VanDerWaalsContact C-N 3.29Å; V631-G633 PolarHBondContact O-N 3Å; G633-N639 VanDerWaalsContact O-CB 3.26Å; G633-N639 WeakPolarHBondContact O-CB 3.48Å; G633-N639 PolarHBondContact O-ND2 3.31Å |
| 634 | A | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -78.1 | -32 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F594 L630 V631 E632 F643 L719 | F594-A634 HydrophobicContact CE1-CB 4.44Å; F594-A634 HydrophobicContact CZ-CB 4.45Å; L630-A634 VanDerWaalsContact O-CB 3.3Å; L630-A634 WeakPolarHBondContact O-CB 3.32Å; L630-A634 PolarHBondContact O-N 3.42Å; V631-A634 PolarHBondContact O-N 3.21Å; V631-A634 VanDerWaalsContact O-N 3.16Å; E632-A634 VanDerWaalsContact C-N 3.3Å; E632-A634 PolarHBondContact O-N 2.95Å; A634-F643 HydrophobicContact CB-CD2 4.08Å; A634-F643 HydrophobicContact CB-CE2 3.88Å; A634-F643 HydrophobicContact CB-CZ 4.48Å; A634-L719 HydrophobicContact CB-CD2 3.73Å |
| 635 | L | 92.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 12% | 0.115 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -86.9 | -15.2 | 177.1 | -59.4 | 178.2 | 0 | 0 | 0 | 113 | V631 E632 L759 N762 H797 V799 L800 | V631-L635 HydrophobicContact CG1-CD1 4.17Å; V631-L635 WeakPolarHBondContact O-CG 3.48Å; V631-L635 PolarHBondContact O-N 3.14Å; V631-L635 VanDerWaalsContact O-N 3.12Å; E632-L635 CarbonylContact O-C 3.18Å; E632-L635 PolarHBondContact O-N 2.71Å; L635-L759 HydrophobicContact CD1-CD2 4.38Å; L635-N762 HydrophobicContact CD1-CB 3.78Å; L635-H797 HydrophobicContact CD2-CB 4.03Å; L635-V799 HydrophobicContact CD2-CG1 3.8Å; L635-L800 HydrophobicContact CD1-CD2 3.92Å; L635-L800 HydrophobicContact CD2-CD2 3.61Å; L635-L800 HydrophobicContact CD2-CG 3.94Å; L635-L800 HydrophobicContact CG-CD2 4.41Å |
| 636 | H | 91.6 | Very high | 90.6 | Very high | 125 Ų | 125 | 38.5 Ų | 38.5 | 58% | 0.579 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -64.9 | 137.4 | -178.4 | -168.2 | 64.1 | 0 | 0 | 0 | 111.8 | E632 G638 N639 A640 | E632-H636 VanDerWaalsContact O-CB 3.31Å; E632-H636 WeakPolarHBondContact O-CB 3.38Å; E632-H636 PolarHBondContact O-N 2.92Å; H636-G638 PolarHBondContact O-N 3.48Å; H636-N639 PolarHBondContact O-N 3.44Å; H636-A640 PolarHBondContact O-N 2.9Å |
| 637 | K | 85.1 | Confident | 88.9 | Confident | 129 Ų | 129 | 42.9 Ų | 42.9 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -34.7 | -178.5 | -68.3 | -167.8 | 178.7 | -168.3 | 0 | 113.5 | D649 | K637-D649 IonicContact NZ-OD1 2.81Å; K637-D649 PolarHBondContact NZ-OD1 2.87Å |
| 638 | G | 85 | Confident | 86.8 | Confident | 34 Ų | 34 | 45.7 Ų | 45.7 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -55.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R598 H636 | R598-G638 PolarHBondContact NH2-O 3.42Å; H636-G638 PolarHBondContact O-N 3.48Å |
| 639 | N | 89.5 | Confident | 84.4 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -6.9 | -169.3 | -60.6 | -36.2 | 0 | 0 | 0 | 114.7 | F594 R598 G633 H636 E641 L642 | F594-N639 HydrophobicContact CD1-CB 4.36Å; F594-N639 WeakPolarHBondContact CG-ND2 3.47Å; R598-N639 PolarHBondContact NE-OD1 3.03Å; R598-N639 PolarHBondContact NH2-OD1 3.08Å; G633-N639 VanDerWaalsContact O-CB 3.26Å; G633-N639 WeakPolarHBondContact O-CB 3.48Å; G633-N639 PolarHBondContact O-ND2 3.31Å; H636-N639 PolarHBondContact O-N 3.44Å; N639-E641 PolarHBondContact O-N 3.3Å; N639-E641 VanDerWaalsContact O-N 3.13Å; N639-L642 HydrophobicContact CB-CD1 4.14Å; N639-L642 VanDerWaalsContact O-CB 3.28Å; N639-L642 WeakPolarHBondContact O-CB 3.49Å; N639-L642 PolarHBondContact O-N 3.31Å |
| 640 | A | 87.8 | Confident | 82.1 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -51.7 | -38.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | H636 L642 F643 G644 G645 | H636-A640 PolarHBondContact O-N 2.9Å; A640-L642 PolarHBondContact O-N 3.25Å; A640-L642 VanDerWaalsContact O-N 3.17Å; A640-F643 PolarHBondContact O-N 3.43Å; A640-F643 VanDerWaalsContact O-N 3.08Å; A640-G644 PolarHBondContact O-N 2.89Å; A640-G645 WeakPolarHBondContact O-CA 3.28Å; A640-G645 PolarHBondContact O-N 3.31Å |
| 641 | E | 88.4 | Confident | 79.4 | Confident | 91 Ų | 91 | 50.8 Ų | 50.8 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -56.2 | -30.8 | 176.9 | 65.8 | -179.7 | 174.9 | 0 | 0 | 113.9 | R598 N639 F643 G644 | R598-E641 IonicContact CZ-OE1 3.31Å; R598-E641 IonicContact NH1-OE1 2.84Å; R598-E641 PolarHBondContact NH1-OE1 2.91Å; R598-E641 IonicContact NH2-OE1 3.14Å; N639-E641 PolarHBondContact O-N 3.3Å; N639-E641 VanDerWaalsContact O-N 3.13Å; E641-F643 PolarHBondContact O-N 3.2Å; E641-G644 PolarHBondContact O-N 3.16Å |
| 642 | L | 88.1 | Confident | 76.6 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -67.1 | -24.9 | -179.2 | -65.9 | 172.1 | 0 | 0 | 0 | 112.6 | L597 R598 N639 A640 N715 | L597-L642 HydrophobicContact CB-CD1 4.42Å; R598-L642 HydrophobicContact CG-CD1 3.73Å; R598-L642 HydrophobicContact CG-CD2 3.93Å; R598-L642 HydrophobicContact CG-CG 4.31Å; N639-L642 HydrophobicContact CB-CD1 4.14Å; N639-L642 VanDerWaalsContact O-CB 3.28Å; N639-L642 WeakPolarHBondContact O-CB 3.49Å; N639-L642 PolarHBondContact O-N 3.31Å; A640-L642 PolarHBondContact O-N 3.25Å; A640-L642 VanDerWaalsContact O-N 3.17Å; L642-N715 WeakPolarHBondContact O-CB 3.47Å; L642-N715 PolarHBondContact O-ND2 3.44Å |
| 643 | F | 91.3 | Very high | 73.6 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -112.4 | 19.9 | -177.1 | -52.3 | -73 | 0 | 0 | 0 | 111.8 | F594 L597 A634 A640 E641 G645 V712 N715 I716 L719 V799 | F594-F643 HydrophobicContact CD1-CE2 4.17Å; F594-F643 HydrophobicContact CD1-CZ 4.18Å; F594-F643 AromaticContact CE1-CE2 3.73Å; F594-F643 HydrophobicContact CE1-CE2 3.73Å; F594-F643 AromaticContact CE1-CZ 3.77Å; F594-F643 HydrophobicContact CE1-CZ 3.77Å; L597-F643 HydrophobicContact CD1-CE1 4.3Å; L597-F643 HydrophobicContact CD1-CZ 3.92Å; A634-F643 HydrophobicContact CB-CD2 4.08Å; A634-F643 HydrophobicContact CB-CE2 3.88Å; A634-F643 HydrophobicContact CB-CZ 4.48Å; A640-F643 PolarHBondContact O-N 3.43Å; A640-F643 VanDerWaalsContact O-N 3.08Å; E641-F643 PolarHBondContact O-N 3.2Å; F643-G645 VanDerWaalsContact C-N 3.31Å; F643-V712 VanDerWaalsContact C-CG1 3.42Å; F643-N715 HydrophobicContact CD1-CB 4Å; F643-N715 HydrophobicContact CE1-CB 3.92Å; F643-I716 HydrophobicContact CB-CG1 4.1Å; F643-I716 HydrophobicContact CD1-CG1 3.9Å; F643-I716 HydrophobicContact CG-CG1 4.5Å; F643-L719 HydrophobicContact CD1-CD2 4.32Å; F643-L719 HydrophobicContact CE1-CB 3.93Å; F643-L719 HydrophobicContact CE1-CD2 3.91Å; F643-L719 HydrophobicContact CE1-CG 4.46Å; F643-L719 HydrophobicContact CZ-CB 4.44Å; F643-L719 HydrophobicContact CZ-CD2 4.09Å; F643-V799 HydrophobicContact CB-CB 4.07Å; F643-V799 HydrophobicContact CB-CG1 4.49Å; F643-V799 HydrophobicContact CB-CG2 4.4Å |
| 644 | G | 84.9 | Confident | 70.6 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 11.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A640 E641 | A640-G644 PolarHBondContact O-N 2.89Å; E641-G644 PolarHBondContact O-N 3.16Å |
| 645 | G | 82.9 | Confident | 68 | Low | 10 Ų | 10 | 62.3 Ų | 62.3 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | trans | -71.3 | 136.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A640 F643 A796 | A640-G645 WeakPolarHBondContact O-CA 3.28Å; A640-G645 PolarHBondContact O-N 3.31Å; F643-G645 VanDerWaalsContact C-N 3.31Å; G645-A796 CarbonylContact C-O 3.53Å; G645-A796 WeakPolarHBondContact CA-O 3.15Å | ||
| 646 | Q | 75.5 | Confident | 65.2 | Low | 138 Ų | 138 | 65.1 Ų | 65.1 | 65% | 0.645 | 41% | 0.405 | S | S | * | . | trans | -94.1 | 123.8 | 178.1 | -63.3 | -177.1 | 16.7 | 0 | 0 | 109.8 | A648 A796 | Q646-A648 PolarHBondContact O-N 3.01Å; Q646-A796 PolarHBondContact N-O 2.89Å | ||
| 647 | I | 60.7 | Low | 62.3 | Low | 92 Ų | 92 | 61.3 Ų | 61.3 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | trans | -78.2 | 65.6 | 172.8 | -48.4 | 171.2 | 0 | 0 | 0 | 108.2 | ||||
| 648 | A | 51.2 | Low | 60 | Low | 60 Ų | 60 | 62 Ų | 62 | 50% | 0.496 | 41% | 0.41 | S | S | . | . | trans | -87.7 | 116.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q646 M650 | Q646-A648 PolarHBondContact O-N 3.01Å; A648-M650 PolarHBondContact O-N 3.24Å | ||
| 649 | D | 46.1 | Very low | 57.5 | Low | 55 Ų | 55 | 65.5 Ų | 65.5 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | trans | -59.3 | 111.9 | 170.8 | -97.9 | -23 | 0 | 0 | 0 | 108.2 | K637 S651 V655 | K637-D649 IonicContact NZ-OD1 2.81Å; K637-D649 PolarHBondContact NZ-OD1 2.87Å; D649-S651 CarbonylContact C-O 3.38Å; D649-S651 WeakPolarHBondContact CB-O 3.36Å; D649-S651 CarbonylContact O-C 3.47Å; D649-S651 PolarHBondContact O-N 3.27Å; D649-S651 VanDerWaalsContact O-N 3.13Å; D649-V655 HydrophobicContact CB-CG2 4.13Å; D649-V655 WeakPolarHBondContact OD2-CG2 3.35Å | ||
| 650 | M | 47.6 | Very low | 54.8 | Low | 77 Ų | 77 | 67.2 Ų | 67.2 | 38% | 0.379 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -67.9 | -3.7 | -180 | -69.8 | -83.1 | -82.7 | 0 | 0 | 113.1 | A648 R792 | A648-M650 PolarHBondContact O-N 3.24Å; M650-R792 HydrophobicContact CE-CB 3.24Å; M650-R792 HydrophobicContact CE-CG 4.36Å; M650-R792 HydrophobicContact SD-CB 3.67Å; M650-R792 HydrophobicContact SD-CG 4.49Å |
| 651 | S | 40.6 | Very low | 52.1 | Low | 89 Ų | 89 | 71.3 Ų | 71.3 | 62% | 0.622 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -112.2 | 124.9 | 164.4 | 176.8 | 0 | 0 | 0 | 0 | 105.2 | D649 A653 | D649-S651 CarbonylContact C-O 3.38Å; D649-S651 WeakPolarHBondContact CB-O 3.36Å; D649-S651 CarbonylContact O-C 3.47Å; D649-S651 PolarHBondContact O-N 3.27Å; D649-S651 VanDerWaalsContact O-N 3.13Å; S651-A653 PolarHBondContact O-N 3.29Å |
| 652 | G | 36.6 | Very low | 49.6 | Very low | 85 Ų | 85 | 71.6 Ų | 71.6 | 88% | 0.876 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -60.8 | 25.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 653 | A | 31.7 | Very low | 47.5 | Very low | 55 Ų | 55 | 76.3 Ų | 76.3 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -80.7 | 141.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S651 | S651-A653 PolarHBondContact O-N 3.29Š|
| 654 | P | 31.9 | Very low | 45.2 | Very low | 102 Ų | 102 | 84 Ų | 84 | 66% | 0.662 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 131.8 | 177.8 | 28.6 | -31.4 | 0 | 0 | 0 | 111.2 | A656 | P654-A656 PolarHBondContact O-N 3.46Š|
| 655 | V | 39.9 | Very low | 43.4 | Very low | 79 Ų | 79 | 86.4 Ų | 86.4 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 120.9 | 171.4 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | D649 | D649-V655 HydrophobicContact CB-CG2 4.13Å; D649-V655 WeakPolarHBondContact OD2-CG2 3.35Å |
| 656 | A | 33.6 | Very low | 41.8 | Very low | 81 Ų | 81 | 88.4 Ų | 88.4 | 67% | 0.669 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 116.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | P654 | P654-A656 PolarHBondContact O-N 3.46Š|
| 657 | S | 30.4 | Very low | 40.8 | Very low | 44 Ų | 44 | 84.4 Ų | 84.4 | 31% | 0.308 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 147.4 | 173.8 | 43.3 | 0 | 0 | 0 | 0 | 111.5 | S659 V660 | S657-S659 PolarHBondContact O-N 3.34Å; S657-S659 VanDerWaalsContact O-N 3.1Å; S657-V660 PolarHBondContact O-N 2.96Å; S657-V660 WeakPolarHBondContact OG-CB 3.23Å; S657-V660 WeakPolarHBondContact OG-CG2 3.31Å |
| 658 | P | 35.8 | Very low | 40.6 | Very low | 144 Ų | 144 | 86.6 Ų | 86.6 | 94% | 0.935 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -3.1 | 175.8 | 29 | -32.5 | 0 | 0 | 0 | 113.6 | ||
| 659 | S | 32.9 | Very low | 41.2 | Very low | 108 Ų | 108 | 89.5 Ų | 89.5 | 76% | 0.755 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 3 | 166.8 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | S657 | S657-S659 PolarHBondContact O-N 3.34Å; S657-S659 VanDerWaalsContact O-N 3.1Å |
| 660 | V | 33.6 | Very low | 42.1 | Very low | 60 Ų | 60 | 91.3 Ų | 91.3 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -103.6 | 98 | 166.8 | 173.6 | 0 | 0 | 0 | 0 | 104.4 | S657 | S657-V660 PolarHBondContact O-N 2.96Å; S657-V660 WeakPolarHBondContact OG-CB 3.23Å; S657-V660 WeakPolarHBondContact OG-CG2 3.31Å |
| 661 | S | 30.9 | Very low | 42.8 | Very low | 89 Ų | 89 | 91 Ų | 91 | 62% | 0.622 | 60% | 0.599 | S | S | * | * | trans | -30.9 | 138 | 147.5 | 47.8 | 0 | 0 | 0 | 0 | 108.6 | D663 | S661-D663 PolarHBondContact O-N 3.45Š| ||
| 662 | P | 35.8 | Very low | 44 | Very low | 96 Ų | 96 | 92 Ų | 92 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | trans | -41.5 | 129 | 168.6 | 21.7 | -33.8 | 0 | 0 | 0 | 107.1 | L664 | P662-L664 HydrophobicContact CB-CD1 4.18Å; P662-L664 HydrophobicContact CG-CD1 3.71Å; P662-L664 WeakPolarHBondContact O-CB 3.36Å; P662-L664 PolarHBondContact O-N 3.34Å | ||
| 663 | D | 43.3 | Very low | 45.4 | Very low | 121 Ų | 121 | 91.5 Ų | 91.5 | 65% | 0.647 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -56.3 | 78.8 | 177.6 | -90.5 | -32.7 | 0 | 0 | 0 | 108.3 | S661 G665 | S661-D663 PolarHBondContact O-N 3.45Å; D663-G665 VanDerWaalsContact C-N 3.26Å |
| 664 | L | 44.5 | Very low | 47 | Very low | 164 Ų | 164 | 98.3 Ų | 98.3 | 86% | 0.859 | 59% | 0.593 | S | S | * | * | trans | -97.5 | 10.1 | 172.2 | -103.8 | 145.5 | 0 | 0 | 0 | 108.4 | P662 | P662-L664 HydrophobicContact CB-CD1 4.18Å; P662-L664 HydrophobicContact CG-CD1 3.71Å; P662-L664 WeakPolarHBondContact O-CB 3.36Å; P662-L664 PolarHBondContact O-N 3.34Å | ||
| 665 | G | 46.8 | Very low | 48.4 | Very low | 65 Ų | 65 | 99 Ų | 99 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | trans | -144.9 | 6.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D663 S667 | D663-G665 VanDerWaalsContact C-N 3.26Å; G665-S667 VanDerWaalsContact C-N 3.31Å; G665-S667 PolarHBondContact O-N 3.35Å; G665-S667 VanDerWaalsContact O-N 3.11Å | ||
| 666 | A | 49.4 | Very low | 49.3 | Very low | 53 Ų | 53 | 98.1 Ų | 98.1 | 44% | 0.438 | 59% | 0.593 | S | S | . | * | trans | -80.6 | 90.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | L668 I671 | A666-L668 PolarHBondContact O-N 3.43Å; A666-I671 HydrophobicContact CB-CD1 4Å | ||
| 667 | S | 53 | Low | 50.5 | Low | 53 Ų | 53 | 99.3 Ų | 99.3 | 37% | 0.371 | 59% | 0.592 | S | S | . | * | trans | -51.7 | 125.7 | 172.1 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | G665 L669 D670 I671 | G665-S667 VanDerWaalsContact C-N 3.31Å; G665-S667 PolarHBondContact O-N 3.35Å; G665-S667 VanDerWaalsContact O-N 3.11Å; S667-L669 PolarHBondContact O-N 3.45Å; S667-L669 WeakPolarHBondContact OG-CB 3.44Å; S667-L669 PolarHBondContact OG-N 3.15Å; S667-D670 WeakPolarHBondContact CB-OD2 3.47Å; S667-D670 PolarHBondContact O-N 3.23Å; S667-I671 PolarHBondContact O-N 3.41Å; S667-I671 VanDerWaalsContact O-N 3.13Å | ||
| 668 | L | 56.8 | Low | 51.7 | Low | 139 Ų | 139 | 102.4 Ų | 102.4 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -53.6 | -26.8 | 171.3 | -76.3 | 170 | 0 | 0 | 0 | 110.9 | A666 N672 | A666-L668 PolarHBondContact O-N 3.43Å; L668-N672 VanDerWaalsContact O-CB 3.29Å; L668-N672 WeakPolarHBondContact O-CB 3.45Å; L668-N672 PolarHBondContact O-N 3.18Å |
| 669 | L | 63.7 | Low | 52.7 | Low | 121 Ų | 121 | 98.8 Ų | 98.8 | 63% | 0.634 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.9 | -47.2 | 172.4 | -149.3 | 94.9 | 0 | 0 | 0 | 111.7 | S667 I671 N672 C673 | S667-L669 PolarHBondContact O-N 3.45Å; S667-L669 WeakPolarHBondContact OG-CB 3.44Å; S667-L669 PolarHBondContact OG-N 3.15Å; L669-I671 VanDerWaalsContact C-N 3.32Å; L669-I671 PolarHBondContact O-N 3.14Å; L669-N672 CarbonylContact O-C 3.58Å; L669-N672 PolarHBondContact O-N 3.43Å; L669-C673 WeakPolarHBondContact O-CB 3.37Å; L669-C673 PolarHBondContact O-N 3.49Å; L669-C673 PolarHBondContact O-SG 2.91Å |
| 670 | D | 64.7 | Low | 53.7 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -36.3 | -179.8 | -69.2 | -26.1 | 0 | 0 | 0 | 112 | S667 R674 | S667-D670 WeakPolarHBondContact CB-OD2 3.47Å; S667-D670 PolarHBondContact O-N 3.23Å; D670-R674 WeakPolarHBondContact O-CG 3.38Å; D670-R674 PolarHBondContact O-N 3.34Å |
| 671 | I | 63.4 | Low | 54.8 | Low | 72 Ų | 72 | 102 Ų | 102 | 37% | 0.369 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -46.9 | 172.6 | -65.3 | 173.8 | 0 | 0 | 0 | 109.9 | A666 S667 L669 C673 R674 F675 | A666-I671 HydrophobicContact CB-CD1 4Å; S667-I671 PolarHBondContact O-N 3.41Å; S667-I671 VanDerWaalsContact O-N 3.13Å; L669-I671 VanDerWaalsContact C-N 3.32Å; L669-I671 PolarHBondContact O-N 3.14Å; I671-C673 PolarHBondContact O-N 3.31Å; I671-R674 PolarHBondContact O-N 2.95Å; I671-F675 HydrophobicContact CG2-CD2 4.27Å; I671-F675 HydrophobicContact CG2-CE2 3.72Å; I671-F675 WeakPolarHBondContact O-CD2 3.24Å |
| 672 | N | 65.4 | Low | 55.8 | Low | 109 Ų | 109 | 103.5 Ų | 103.5 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.8 | -36 | 177.3 | -88.8 | -19.8 | 0 | 0 | 0 | 113.4 | L668 L669 R674 F675 G676 | L668-N672 VanDerWaalsContact O-CB 3.29Å; L668-N672 WeakPolarHBondContact O-CB 3.45Å; L668-N672 PolarHBondContact O-N 3.18Å; L669-N672 CarbonylContact O-C 3.58Å; L669-N672 PolarHBondContact O-N 3.43Å; N672-R674 VanDerWaalsContact C-N 3.26Å; N672-R674 PolarHBondContact O-N 2.95Å; N672-F675 PolarHBondContact O-N 3.23Å; N672-F675 VanDerWaalsContact O-N 3.13Å; N672-G676 PolarHBondContact O-N 2.98Å |
| 673 | C | 66 | Low | 56.8 | Low | 74 Ų | 74 | 102.7 Ų | 102.7 | 50% | 0.5 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.8 | -30.1 | 176.6 | -73.6 | 0 | 0 | 0 | 0 | 112.4 | L669 I671 G676 | L669-C673 WeakPolarHBondContact O-CB 3.37Å; L669-C673 PolarHBondContact O-N 3.49Å; L669-C673 PolarHBondContact O-SG 2.91Å; I671-C673 PolarHBondContact O-N 3.31Å; C673-G676 PolarHBondContact O-N 2.89Å |
| 674 | R | 64.7 | Low | 57.4 | Low | 198 Ų | 198 | 99.8 Ų | 99.8 | 75% | 0.747 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.2 | -32.2 | 173.4 | -69.3 | 176 | -174.6 | -167.8 | 2.5 | 112.7 | D670 I671 N672 | D670-R674 WeakPolarHBondContact O-CG 3.38Å; D670-R674 PolarHBondContact O-N 3.34Å; I671-R674 PolarHBondContact O-N 2.95Å; N672-R674 VanDerWaalsContact C-N 3.26Å; N672-R674 PolarHBondContact O-N 2.95Å |
| 675 | F | 62.6 | Low | 58.1 | Low | 117 Ų | 117 | 99.1 Ų | 99.1 | 51% | 0.513 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -77.8 | -34.7 | 173.5 | -66.9 | -72.6 | 0 | 0 | 0 | 112 | I671 N672 T677 T678 V679 | I671-F675 HydrophobicContact CG2-CD2 4.27Å; I671-F675 HydrophobicContact CG2-CE2 3.72Å; I671-F675 WeakPolarHBondContact O-CD2 3.24Å; N672-F675 PolarHBondContact O-N 3.23Å; N672-F675 VanDerWaalsContact O-N 3.13Å; F675-T677 VanDerWaalsContact C-N 3.27Å; F675-T677 PolarHBondContact O-N 3.2Å; F675-T678 PolarHBondContact O-N 2.82Å; F675-V679 WeakPolarHBondContact O-CG2 3.22Å; F675-V679 PolarHBondContact O-N 3.46Å |
| 676 | G | 58.3 | Low | 58.6 | Low | 60 Ų | 60 | 105.8 Ų | 105.8 | 62% | 0.619 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.2 | -17.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | N672 C673 | N672-G676 PolarHBondContact O-N 2.98Å; C673-G676 PolarHBondContact O-N 2.89Å |
| 677 | T | 58.7 | Low | 59.3 | Low | 106 Ų | 106 | 108.3 Ų | 108.3 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -18.2 | 179.9 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | F675 | F675-T677 VanDerWaalsContact C-N 3.27Å; F675-T677 PolarHBondContact O-N 3.2Å |
| 678 | T | 56.2 | Low | 59.9 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -9 | -178.4 | 48 | 0 | 0 | 0 | 0 | 113.8 | F675 N680 | F675-T678 PolarHBondContact O-N 2.82Å; T678-N680 PolarHBondContact O-N 3.42Å |
| 679 | V | 56 | Low | 60.4 | Low | 68 Ų | 68 | 113.4 Ų | 113.4 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | trans | -80.3 | 62.2 | 171 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | F675 F681 | F675-V679 WeakPolarHBondContact O-CG2 3.22Å; F675-V679 PolarHBondContact O-N 3.46Å; V679-F681 HydrophobicContact CG1-CD2 3.34Å; V679-F681 HydrophobicContact CG1-CE2 3.29Å; V679-F681 HydrophobicContact CG1-CG 4.41Å; V679-F681 HydrophobicContact CG1-CZ 4.36Å; V679-F681 PolarHBondContact O-N 3.11Å | ||
| 680 | N | 53.2 | Low | 60.9 | Low | 137 Ų | 137 | 112.7 Ų | 112.7 | 73% | 0.733 | 63% | 0.627 | S | S | * | * | trans | -75.9 | 77.7 | 170.4 | -82.2 | -16.2 | 0 | 0 | 0 | 109.1 | T678 S682 | T678-N680 PolarHBondContact O-N 3.42Å; N680-S682 PolarHBondContact O-N 3.18Å; N680-S682 VanDerWaalsContact O-N 3.13Å | ||
| 681 | F | 57.8 | Low | 61.4 | Low | 97 Ų | 97 | 114.1 Ų | 114.1 | 43% | 0.425 | 65% | 0.652 | S | S | . | * | trans | -78 | 73.2 | 151.9 | -66.5 | -66.9 | 0 | 0 | 0 | 107.8 | V679 G683 V688 | V679-F681 HydrophobicContact CG1-CD2 3.34Å; V679-F681 HydrophobicContact CG1-CE2 3.29Å; V679-F681 HydrophobicContact CG1-CG 4.41Å; V679-F681 HydrophobicContact CG1-CZ 4.36Å; V679-F681 PolarHBondContact O-N 3.11Å; F681-G683 PolarHBondContact O-N 3.29Å; F681-V688 HydrophobicContact CZ-CG1 4.5Å | ||
| 682 | S | 51.6 | Low | 61.7 | Low | 122 Ų | 122 | 113 Ų | 113 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -69.6 | 77.9 | 163.4 | 61.1 | 0 | 0 | 0 | 0 | 108.2 | N680 | N680-S682 PolarHBondContact O-N 3.18Å; N680-S682 VanDerWaalsContact O-N 3.13Å |
| 683 | G | 57.1 | Low | 62.1 | Low | 79 Ų | 79 | 112.5 Ų | 112.5 | 81% | 0.814 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 109.9 | 18.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | F681 | F681-G683 PolarHBondContact O-N 3.29Š|
| 684 | S | 55.6 | Low | 62.8 | Low | 60 Ų | 60 | 117.3 Ų | 117.3 | 42% | 0.42 | 68% | 0.677 | S | S | . | * | trans | -119.2 | 132.7 | -175.1 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | W686 | S684-W686 VanDerWaalsContact C-N 3.27Å; S684-W686 PolarHBondContact O-N 3.31Å; S684-W686 VanDerWaalsContact OG-CD1 3.24Å | ||
| 685 | V | 58.4 | Low | 63.5 | Low | 149 Ų | 149 | 111.1 Ų | 111.1 | 90% | 0.903 | 68% | 0.675 | S | S | * | * | trans | -85.7 | 13.8 | -177.4 | -164.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 686 | W | 58.3 | Low | 64.1 | Low | 205 Ų | 205 | 114.8 Ų | 114.8 | 78% | 0.777 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -102.9 | 152.6 | -170.2 | -62.9 | 86.2 | 0 | 0 | 0 | 112.8 | S684 | S684-W686 VanDerWaalsContact C-N 3.27Å; S684-W686 PolarHBondContact O-N 3.31Å; S684-W686 VanDerWaalsContact OG-CD1 3.24Å |
| 687 | S | 64.6 | Low | 65 | Low | 106 Ų | 106 | 114.3 Ų | 114.3 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 164.1 | 175 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 688 | V | 65.3 | Low | 65.8 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 50% | 0.503 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 140.9 | 175.8 | -116.1 | 0 | 0 | 0 | 0 | 112.2 | F681 H690 | F681-V688 HydrophobicContact CZ-CG1 4.5Å; V688-H690 PolarHBondContact O-N 3.39Å |
| 689 | F | 67.7 | Low | 66.9 | Low | 217 Ų | 217 | 120.7 Ų | 120.7 | 95% | 0.952 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -62.8 | -24.8 | -174.1 | 180 | -100.4 | 0 | 0 | 0 | 114.2 | ||
| 690 | H | 73.2 | Confident | 67.8 | Low | 105 Ų | 105 | 123 Ų | 123 | 49% | 0.486 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -108.9 | 151.9 | 177.7 | 64 | 58 | 0 | 0 | 0 | 112.3 | V688 G692 | V688-H690 PolarHBondContact O-N 3.39Å; H690-G692 VanDerWaalsContact C-N 3.26Å; H690-G692 PolarHBondContact ND1-N 3.35Å; H690-G692 PolarHBondContact O-N 2.89Å |
| 691 | A | 76.4 | Confident | 67.9 | Low | 123 Ų | 123 | 128.3 Ų | 128.3 | 100% | 1.017 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -82.1 | 6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 692 | G | 68.6 | Low | 67.9 | Low | 48 Ų | 48 | 130.1 Ų | 130.1 | 50% | 0.495 | 75% | 0.748 | S | S | . | * | trans | 137.9 | -178.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H690 | H690-G692 VanDerWaalsContact C-N 3.26Å; H690-G692 PolarHBondContact ND1-N 3.35Å; H690-G692 PolarHBondContact O-N 2.89Å | ||
| 693 | V | 74.9 | Confident | 67.8 | Low | 99 Ų | 99 | 128.2 Ų | 128.2 | 60% | 0.6 | 74% | 0.74 | S | S | * | * | trans | -108.5 | 133.4 | 173.2 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | G695 | V693-G695 PolarHBondContact O-N 2.94Š| ||
| 694 | I | 80.4 | Confident | 67.8 | Low | 174 Ų | 174 | 128.5 Ų | 128.5 | 89% | 0.892 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -77.2 | 112.2 | 170.9 | -57.2 | 174.6 | 0 | 0 | 0 | 108.3 | ||
| 695 | G | 78.7 | Confident | 67.9 | Low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.6 | -138.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V693 | V693-G695 PolarHBondContact O-N 2.94Š|
| 696 | K | 75.9 | Confident | 68.1 | Low | 195 Ų | 195 | 133.3 Ų | 133.3 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 9.3 | -178.5 | -65.1 | -171 | 177.5 | -173.7 | 0 | 114.2 | ||
| 697 | G | 76.1 | Confident | 68.5 | Low | 49 Ų | 49 | 126.7 Ų | 126.7 | 51% | 0.505 | 73% | 0.733 | S | S | . | * | S | Bend | trans | 79.8 | -155.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K699 | G697-K699 PolarHBondContact O-N 3.46Š|
| 698 | L | 76.5 | Confident | 69.3 | Low | 174 Ų | 174 | 124.5 Ų | 124.5 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -57.9 | 120.7 | -178.6 | -69 | 170.9 | 0 | 0 | 0 | 110.6 | ||
| 699 | K | 79.3 | Confident | 70.1 | Confident | 177 Ų | 177 | 125.1 Ų | 125.1 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.1 | 175.7 | -67.4 | -178.1 | -179.1 | -179.8 | 0 | 108.7 | G697 R701 | G697-K699 PolarHBondContact O-N 3.46Å; K699-R701 PolarHBondContact O-N 2.89Å |
| 700 | P | 74.1 | Confident | 71 | Confident | 115 Ų | 115 | 118.4 Ų | 118.4 | 75% | 0.747 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 133.7 | 175.8 | 22.4 | -30.6 | 0 | 0 | 0 | 108.4 | T702 | P700-T702 PolarHBondContact O-N 2.89Š|
| 701 | R | 55.6 | Low | 71.6 | Confident | 250 Ų | 250 | 114 Ų | 114 | 94% | 0.943 | 68% | 0.681 | S | S | * | * | trans | -64.3 | 98.6 | 176.9 | -74.1 | -176.9 | 172.3 | -176.1 | -2.4 | 108 | K699 A703 | K699-R701 PolarHBondContact O-N 2.89Å; R701-A703 PolarHBondContact O-N 2.7Å; R701-A703 VanDerWaalsContact O-N 3.08Å | ||
| 702 | T | 58.3 | Low | 72.2 | Confident | 134 Ų | 134 | 109 Ų | 109 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | trans | -63.9 | 109.1 | 162.6 | -7 | 0 | 0 | 0 | 0 | 105.7 | P700 A704 | P700-T702 PolarHBondContact O-N 2.89Å; T702-A704 VanDerWaalsContact C-N 3.34Å; T702-A704 PolarHBondContact O-N 3.48Å | ||
| 703 | A | 49.9 | Very low | 73.2 | Confident | 83 Ų | 83 | 111.4 Ų | 111.4 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | trans | -59.1 | 104.6 | 168 | 0 | 0 | 0 | 0 | 0 | 106.4 | R701 N705 | R701-A703 PolarHBondContact O-N 2.7Å; R701-A703 VanDerWaalsContact O-N 3.08Å; A703-N705 VanDerWaalsContact C-N 3.28Å; A703-N705 PolarHBondContact O-N 3.28Å | ||
| 704 | A | 56.9 | Low | 73.9 | Confident | 85 Ų | 85 | 110.9 Ų | 110.9 | 70% | 0.702 | 63% | 0.63 | S | S | * | * | trans | -65.1 | 98.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | T702 L706 | T702-A704 VanDerWaalsContact C-N 3.34Å; T702-A704 PolarHBondContact O-N 3.48Å; A704-L706 PolarHBondContact O-N 3.48Å | ||
| 705 | N | 56.3 | Low | 74.4 | Confident | 151 Ų | 151 | 103.6 Ų | 103.6 | 81% | 0.807 | 59% | 0.593 | S | S | * | * | trans | -61.6 | 97.1 | 166.5 | -78.6 | -20.7 | 0 | 0 | 0 | 105.7 | A703 P707 | A703-N705 VanDerWaalsContact C-N 3.28Å; A703-N705 PolarHBondContact O-N 3.28Å; N705-P707 VanDerWaalsContact O-CD 3.31Å; N705-P707 WeakPolarHBondContact O-CD 3.16Å; N705-P707 VanDerWaalsContact O-N 3.12Å | ||
| 706 | L | 62.3 | Low | 75.1 | Confident | 158 Ų | 158 | 101.4 Ų | 101.4 | 83% | 0.827 | 56% | 0.564 | S | S | * | * | trans | -59 | 117.6 | 176.7 | -76.9 | 158.8 | 0 | 0 | 0 | 106.7 | A704 D708 | A704-L706 PolarHBondContact O-N 3.48Å; L706-D708 PolarHBondContact O-N 2.94Å | ||
| 707 | P | 68.3 | Low | 75.8 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 43% | 0.429 | 55% | 0.548 | S | S | . | . | trans | -62.6 | 138.9 | 179.4 | 24.9 | -31.7 | 0 | 0 | 0 | 108.9 | N705 P709 V712 | N705-P707 VanDerWaalsContact O-CD 3.31Å; N705-P707 WeakPolarHBondContact O-CD 3.16Å; N705-P707 VanDerWaalsContact O-N 3.12Å; P707-P709 WeakPolarHBondContact O-CD 3.47Å; P707-P709 VanDerWaalsContact O-N 3.12Å; P707-V712 HydrophobicContact CB-CG2 3.93Å; P707-V712 HydrophobicContact CG-CG2 4.41Å | ||
| 708 | D | 80 | Confident | 76.5 | Confident | 60 Ų | 60 | 96 Ų | 96 | 32% | 0.321 | 53% | 0.531 | S | S | . | . | trans | -57.1 | 114.1 | 174.3 | 163.7 | 18.6 | 0 | 0 | 0 | 109.6 | R600 L706 S710 G711 V712 | R600-D708 IonicContact CZ-OD2 3.73Å; R600-D708 IonicContact NH1-OD2 2.76Å; R600-D708 PolarHBondContact NH1-OD2 2.9Å; R600-D708 IonicContact NH2-OD2 3.95Å; L706-D708 PolarHBondContact O-N 2.94Å; D708-S710 VanDerWaalsContact C-N 3.25Å; D708-S710 PolarHBondContact O-N 3.21Å; D708-S710 PolarHBondContact OD1-N 3.47Å; D708-S710 PolarHBondContact OD1-OG 3.44Å; D708-S710 PolarHBondContact OD2-OG 3.39Å; D708-G711 PolarHBondContact O-N 3.46Å; D708-V712 PolarHBondContact O-N 3.27Å; D708-V712 VanDerWaalsContact O-N 3.14Å | ||
| 709 | P | 83 | Confident | 77.3 | Confident | 96 Ų | 96 | 87.7 Ų | 87.7 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65 | -31.7 | -169.8 | 25.4 | -33.9 | 0 | 0 | 0 | 112 | P707 V712 I713 | P707-P709 WeakPolarHBondContact O-CD 3.47Å; P707-P709 VanDerWaalsContact O-N 3.12Å; P709-V712 PolarHBondContact O-N 3.41Å; P709-I713 WeakPolarHBondContact O-CG1 3.5Å; P709-I713 PolarHBondContact O-N 3.26Å; P709-I713 VanDerWaalsContact O-N 3.13Å |
| 710 | S | 85.6 | Confident | 78 | Confident | 77 Ų | 77 | 80.9 Ų | 80.9 | 54% | 0.538 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 178.2 | 71 | 0 | 0 | 0 | 0 | 111.8 | D708 I713 Q714 | D708-S710 VanDerWaalsContact C-N 3.25Å; D708-S710 PolarHBondContact O-N 3.21Å; D708-S710 PolarHBondContact OD1-N 3.47Å; D708-S710 PolarHBondContact OD1-OG 3.44Å; D708-S710 PolarHBondContact OD2-OG 3.39Å; S710-I713 PolarHBondContact O-N 3.31Å; S710-Q714 PolarHBondContact O-N 2.93Å; S710-Q714 VanDerWaalsContact O-N 3.07Å |
| 711 | G | 86.1 | Confident | 78.8 | Confident | 12 Ų | 12 | 78 Ų | 78 | 12% | 0.124 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D708 Q714 N715 | D708-G711 PolarHBondContact O-N 3.46Å; G711-Q714 PolarHBondContact O-N 3.04Å; G711-N715 WeakPolarHBondContact O-CB 3.42Å; G711-N715 PolarHBondContact O-N 3.4Å; G711-N715 PolarHBondContact O-ND2 2.98Å |
| 712 | V | 89.3 | Confident | 80.5 | Confident | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.9 | -49 | 175.7 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | F643 P707 D708 P709 Q714 N715 I716 | F643-V712 VanDerWaalsContact C-CG1 3.42Å; P707-V712 HydrophobicContact CB-CG2 3.93Å; P707-V712 HydrophobicContact CG-CG2 4.41Å; D708-V712 PolarHBondContact O-N 3.27Å; D708-V712 VanDerWaalsContact O-N 3.14Å; P709-V712 PolarHBondContact O-N 3.41Å; V712-Q714 VanDerWaalsContact C-N 3.33Å; V712-Q714 PolarHBondContact O-N 3.37Å; V712-N715 PolarHBondContact O-N 3.22Å; V712-I716 HydrophobicContact CG1-CD1 3.87Å; V712-I716 HydrophobicContact CG1-CG1 4.48Å; V712-I716 WeakPolarHBondContact O-CG1 3.46Å; V712-I716 PolarHBondContact O-N 3.37Å |
| 713 | I | 90.2 | Very high | 82.2 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 178.8 | -66.9 | 165 | 0 | 0 | 0 | 110.3 | P709 S710 N715 I716 Q717 | P709-I713 WeakPolarHBondContact O-CG1 3.5Å; P709-I713 PolarHBondContact O-N 3.26Å; P709-I713 VanDerWaalsContact O-N 3.13Å; S710-I713 PolarHBondContact O-N 3.31Å; I713-N715 VanDerWaalsContact C-N 3.34Å; I713-N715 PolarHBondContact O-N 2.89Å; I713-I716 PolarHBondContact O-N 2.93Å; I713-Q717 HydrophobicContact CG2-CG 4.45Å; I713-Q717 WeakPolarHBondContact O-CG 3.03Å; I713-Q717 PolarHBondContact O-N 3.42Å |
| 714 | Q | 89.9 | Confident | 84.2 | Confident | 87 Ų | 87 | 58 Ų | 58 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 178 | -177.1 | 61.1 | 55 | 0 | 0 | 112.6 | S710 G711 V712 Q717 T718 | S710-Q714 PolarHBondContact O-N 2.93Å; S710-Q714 VanDerWaalsContact O-N 3.07Å; G711-Q714 PolarHBondContact O-N 3.04Å; V712-Q714 VanDerWaalsContact C-N 3.33Å; V712-Q714 PolarHBondContact O-N 3.37Å; Q714-Q717 PolarHBondContact O-N 3.07Å; Q714-T718 PolarHBondContact NE2-OG1 3.11Å; Q714-T718 WeakPolarHBondContact O-CB 3.5Å; Q714-T718 PolarHBondContact O-N 3.1Å; Q714-T718 PolarHBondContact O-OG1 3.46Å |
| 715 | N | 90.7 | Very high | 85.8 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 177.2 | -71.7 | -19.8 | 0 | 0 | 0 | 111.2 | L642 F643 G711 V712 I713 T718 L719 | L642-N715 WeakPolarHBondContact O-CB 3.47Å; L642-N715 PolarHBondContact O-ND2 3.44Å; F643-N715 HydrophobicContact CD1-CB 4Å; F643-N715 HydrophobicContact CE1-CB 3.92Å; G711-N715 WeakPolarHBondContact O-CB 3.42Å; G711-N715 PolarHBondContact O-N 3.4Å; G711-N715 PolarHBondContact O-ND2 2.98Å; V712-N715 PolarHBondContact O-N 3.22Å; I713-N715 VanDerWaalsContact C-N 3.34Å; I713-N715 PolarHBondContact O-N 2.89Å; N715-T718 PolarHBondContact O-N 3.08Å; N715-L719 WeakPolarHBondContact O-CB 3.45Å; N715-L719 PolarHBondContact O-N 3.47Å |
| 716 | I | 92.6 | Very high | 87.4 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 174.7 | -68.5 | 171.6 | 0 | 0 | 0 | 109.6 | F643 V712 I713 T718 L719 L720 V799 P802 | F643-I716 HydrophobicContact CB-CG1 4.1Å; F643-I716 HydrophobicContact CD1-CG1 3.9Å; F643-I716 HydrophobicContact CG-CG1 4.5Å; V712-I716 HydrophobicContact CG1-CD1 3.87Å; V712-I716 HydrophobicContact CG1-CG1 4.48Å; V712-I716 WeakPolarHBondContact O-CG1 3.46Å; V712-I716 PolarHBondContact O-N 3.37Å; I713-I716 PolarHBondContact O-N 2.93Å; I716-T718 VanDerWaalsContact C-N 3.29Å; I716-T718 PolarHBondContact O-N 3.2Å; I716-L719 WeakPolarHBondContact O-CB 3.24Å; I716-L719 PolarHBondContact O-N 3.43Å; I716-L719 VanDerWaalsContact O-N 3.16Å; I716-L720 HydrophobicContact CG2-CD1 3.87Å; I716-L720 HydrophobicContact CG2-CG 4.24Å; I716-L720 VanDerWaalsContact O-CG 3.28Å; I716-L720 WeakPolarHBondContact O-CG 3.29Å; I716-L720 PolarHBondContact O-N 3.18Å; I716-V799 HydrophobicContact CG1-CG2 4.38Å; I716-P802 HydrophobicContact CG2-CB 4.19Å; I716-P802 HydrophobicContact CG2-CG 3.99Å |
| 717 | Q | 91.3 | Very high | 88.7 | Confident | 106 Ų | 106 | 43.8 Ų | 43.8 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 177.2 | -73.1 | 174 | -11 | 0 | 0 | 112.5 | I713 Q714 L720 A721 | I713-Q717 HydrophobicContact CG2-CG 4.45Å; I713-Q717 WeakPolarHBondContact O-CG 3.03Å; I713-Q717 PolarHBondContact O-N 3.42Å; Q714-Q717 PolarHBondContact O-N 3.07Å; Q717-L720 PolarHBondContact O-N 3.05Å; Q717-A721 WeakPolarHBondContact O-CB 3.45Å; Q717-A721 PolarHBondContact O-N 3.23Å |
| 718 | T | 90.8 | Very high | 89.5 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 178.1 | -53 | 0 | 0 | 0 | 0 | 111.5 | F593 L597 Q714 N715 I716 V722 | F593-T718 HydrophobicContact CE2-CG2 4.2Å; L597-T718 HydrophobicContact CD2-CG2 4.28Å; Q714-T718 PolarHBondContact NE2-OG1 3.11Å; Q714-T718 WeakPolarHBondContact O-CB 3.5Å; Q714-T718 PolarHBondContact O-N 3.1Å; Q714-T718 PolarHBondContact O-OG1 3.46Å; N715-T718 PolarHBondContact O-N 3.08Å; I716-T718 VanDerWaalsContact C-N 3.29Å; I716-T718 PolarHBondContact O-N 3.2Å; T718-V722 WeakPolarHBondContact O-CG2 3.15Å; T718-V722 PolarHBondContact O-N 2.68Å; T718-V722 VanDerWaalsContact O-N 3.16Å |
| 719 | L | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 174.6 | 176.7 | 68.8 | 0 | 0 | 0 | 111.1 | F593 L630 A634 F643 N715 I716 A721 V722 I723 V799 | F593-L719 HydrophobicContact CE1-CD1 3.94Å; F593-L719 HydrophobicContact CZ-CD1 4.33Å; L630-L719 HydrophobicContact CB-CD1 4.41Å; L630-L719 HydrophobicContact CD2-CD1 4.16Å; A634-L719 HydrophobicContact CB-CD2 3.73Å; F643-L719 HydrophobicContact CD1-CD2 4.32Å; F643-L719 HydrophobicContact CE1-CB 3.93Å; F643-L719 HydrophobicContact CE1-CD2 3.91Å; F643-L719 HydrophobicContact CE1-CG 4.46Å; F643-L719 HydrophobicContact CZ-CB 4.44Å; F643-L719 HydrophobicContact CZ-CD2 4.09Å; N715-L719 WeakPolarHBondContact O-CB 3.45Å; N715-L719 PolarHBondContact O-N 3.47Å; I716-L719 WeakPolarHBondContact O-CB 3.24Å; I716-L719 PolarHBondContact O-N 3.43Å; I716-L719 VanDerWaalsContact O-N 3.16Å; L719-A721 PolarHBondContact O-N 3.22Å; L719-V722 PolarHBondContact O-N 3.13Å; L719-I723 HydrophobicContact CD1-CD1 4.02Å; L719-I723 HydrophobicContact CD1-CG1 4.44Å; L719-I723 HydrophobicContact CG-CD1 3.91Å; L719-I723 WeakPolarHBondContact O-CG1 3.38Å; L719-I723 PolarHBondContact O-N 2.88Å; L719-V799 HydrophobicContact CD2-CG2 3.83Å |
| 720 | L | 92.9 | Very high | 87.2 | Confident | 33 Ų | 33 | 40.8 Ų | 40.8 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.9 | -63.9 | 175 | 0 | 0 | 0 | 111.6 | I716 Q717 V722 I723 V724 P802 L803 V806 | I716-L720 HydrophobicContact CG2-CD1 3.87Å; I716-L720 HydrophobicContact CG2-CG 4.24Å; I716-L720 VanDerWaalsContact O-CG 3.28Å; I716-L720 WeakPolarHBondContact O-CG 3.29Å; I716-L720 PolarHBondContact O-N 3.18Å; Q717-L720 PolarHBondContact O-N 3.05Å; L720-V722 VanDerWaalsContact C-N 3.31Å; L720-V722 PolarHBondContact O-N 3.44Å; L720-I723 PolarHBondContact O-N 2.95Å; L720-V724 WeakPolarHBondContact O-CB 3.33Å; L720-V724 VanDerWaalsContact O-CG2 3.27Å; L720-V724 WeakPolarHBondContact O-CG2 3.27Å; L720-V724 PolarHBondContact O-N 3.07Å; L720-P802 HydrophobicContact CD1-CB 3.58Å; L720-P802 HydrophobicContact CD2-CB 3.92Å; L720-P802 HydrophobicContact CG-CB 4.28Å; L720-L803 HydrophobicContact CD2-CD2 4.28Å; L720-V806 HydrophobicContact CD2-CG2 3.78Å |
| 721 | A | 91.1 | Very high | 85.3 | Confident | 54 Ų | 54 | 40 Ų | 40 | 45% | 0.446 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q717 L719 Q725 | Q717-A721 WeakPolarHBondContact O-CB 3.45Å; Q717-A721 PolarHBondContact O-N 3.23Å; L719-A721 PolarHBondContact O-N 3.22Å; A721-Q725 VanDerWaalsContact O-CB 3.25Å; A721-Q725 WeakPolarHBondContact O-CB 3.25Å; A721-Q725 PolarHBondContact O-N 3.28Å |
| 722 | V | 91.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 175 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | F593 V609 L612 L630 T718 L719 L720 Q725 C726 | F593-V722 HydrophobicContact CE2-CG2 3.83Å; F593-V722 HydrophobicContact CZ-CG2 4.26Å; V609-V722 HydrophobicContact CB-CG2 4.23Å; V609-V722 HydrophobicContact CG1-CG2 4.06Å; V609-V722 HydrophobicContact CG2-CG2 3.71Å; L612-V722 HydrophobicContact CB-CG1 4.16Å; L612-V722 HydrophobicContact CD1-CG1 3.75Å; L630-V722 HydrophobicContact CD1-CG1 3.86Å; T718-V722 WeakPolarHBondContact O-CG2 3.15Å; T718-V722 PolarHBondContact O-N 2.68Å; T718-V722 VanDerWaalsContact O-N 3.16Å; L719-V722 PolarHBondContact O-N 3.13Å; L720-V722 VanDerWaalsContact C-N 3.31Å; L720-V722 PolarHBondContact O-N 3.44Å; V722-Q725 PolarHBondContact O-N 3.29Å; V722-C726 WeakPolarHBondContact O-CB 3.32Å; V722-C726 PolarHBondContact O-N 2.94Å; V722-C726 PolarHBondContact O-SG 2.92Å |
| 723 | I | 93.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -50.5 | -178.5 | -70.6 | 174.1 | 0 | 0 | 0 | 110.3 | L627 L630 L719 L720 Q725 C726 C727 I755 L803 V806 | L627-I723 HydrophobicContact CD2-CG2 4.16Å; L630-I723 HydrophobicContact CD1-CG1 4.16Å; L719-I723 HydrophobicContact CD1-CD1 4.02Å; L719-I723 HydrophobicContact CD1-CG1 4.44Å; L719-I723 HydrophobicContact CG-CD1 3.91Å; L719-I723 WeakPolarHBondContact O-CG1 3.38Å; L719-I723 PolarHBondContact O-N 2.88Å; L720-I723 PolarHBondContact O-N 2.95Å; I723-Q725 VanDerWaalsContact C-N 3.33Å; I723-Q725 PolarHBondContact O-N 3.39Å; I723-C726 WeakPolarHBondContact O-CB 3.36Å; I723-C726 PolarHBondContact O-N 3.3Å; I723-C727 PolarHBondContact O-N 2.89Å; I723-C727 PolarHBondContact O-SG 3.29Å; I723-I755 HydrophobicContact CG2-CD1 3.42Å; I723-I755 VanDerWaalsContact CG2-CD1 3.42Å; I723-I755 HydrophobicContact CG2-CG1 4.49Å; I723-L803 HydrophobicContact CD1-CD2 3.53Å; I723-V806 HydrophobicContact CG2-CG1 3.93Å |
| 724 | V | 91.9 | Very high | 78.1 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 30% | 0.297 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 179 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L720 C727 S728 I747 V806 | L720-V724 WeakPolarHBondContact O-CB 3.33Å; L720-V724 VanDerWaalsContact O-CG2 3.27Å; L720-V724 WeakPolarHBondContact O-CG2 3.27Å; L720-V724 PolarHBondContact O-N 3.07Å; V724-C727 PolarHBondContact O-N 2.94Å; V724-S728 WeakPolarHBondContact O-CB 3.18Å; V724-S728 PolarHBondContact O-N 3.47Å; V724-S728 PolarHBondContact O-OG 3.09Å; V724-I747 HydrophobicContact CG2-CD1 4.34Å; V724-V806 HydrophobicContact CG2-CG1 4.48Å; V724-V806 HydrophobicContact CG2-CG2 4.14Å |
| 725 | Q | 90 | Very high | 75.5 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 178 | -166.2 | 175.1 | -5.4 | 0 | 0 | 111.5 | T613 A721 V722 I723 C727 S728 S729 | T613-Q725 HydrophobicContact CG2-CB 3.61Å; T613-Q725 VanDerWaalsContact CG2-CD 3.49Å; T613-Q725 HydrophobicContact CG2-CG 3.41Å; T613-Q725 VanDerWaalsContact CG2-CG 3.41Å; A721-Q725 VanDerWaalsContact O-CB 3.25Å; A721-Q725 WeakPolarHBondContact O-CB 3.25Å; A721-Q725 PolarHBondContact O-N 3.28Å; V722-Q725 PolarHBondContact O-N 3.29Å; I723-Q725 VanDerWaalsContact C-N 3.33Å; I723-Q725 PolarHBondContact O-N 3.39Å; Q725-C727 VanDerWaalsContact C-N 3.31Å; Q725-C727 PolarHBondContact O-N 3.14Å; Q725-S728 PolarHBondContact O-N 3.41Å; Q725-S729 WeakPolarHBondContact O-CB 3.2Å; Q725-S729 PolarHBondContact O-N 3.33Å; Q725-S729 PolarHBondContact O-OG 2.96Å |
| 726 | C | 91.4 | Very high | 73.1 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.034 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 173 | -72.6 | 0 | 0 | 0 | 0 | 112.3 | A616 L623 L627 V722 I723 | A616-C726 HydrophobicContact CB-CB 3.91Å; L623-C726 HydrophobicContact CD1-CB 4.33Å; L623-C726 WeakPolarHBondContact CD1-O 3.43Å; L627-C726 HydrophobicContact CD2-CB 4Å; V722-C726 WeakPolarHBondContact O-CB 3.32Å; V722-C726 PolarHBondContact O-N 2.94Å; V722-C726 PolarHBondContact O-SG 2.92Å; I723-C726 WeakPolarHBondContact O-CB 3.36Å; I723-C726 PolarHBondContact O-N 3.3Å |
| 727 | C | 89.3 | Confident | 70.3 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.02 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75.6 | -19.9 | 178.9 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | I723 V724 Q725 I747 N748 A751 | I723-C727 PolarHBondContact O-N 2.89Å; I723-C727 PolarHBondContact O-SG 3.29Å; V724-C727 PolarHBondContact O-N 2.94Å; Q725-C727 VanDerWaalsContact C-N 3.31Å; Q725-C727 PolarHBondContact O-N 3.14Å; C727-I747 HydrophobicContact CB-CG2 3.7Å; C727-N748 WeakPolarHBondContact O-CB 3.46Å; C727-N748 PolarHBondContact O-N 3.11Å; C727-N748 VanDerWaalsContact O-N 3.13Å; C727-A751 HydrophobicContact CB-CB 3.86Å |
| 728 | S | 84.3 | Confident | 67.8 | Low | 22 Ų | 22 | 64.4 Ų | 64.4 | 15% | 0.154 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -99.7 | -11.3 | -175.7 | -50.8 | 0 | 0 | 0 | 0 | 113.8 | V724 Q725 S730 | V724-S728 WeakPolarHBondContact O-CB 3.18Å; V724-S728 PolarHBondContact O-N 3.47Å; V724-S728 PolarHBondContact O-OG 3.09Å; Q725-S728 PolarHBondContact O-N 3.41Å; S728-S730 PolarHBondContact O-N 3.11Å |
| 729 | S | 62.6 | Low | 65.3 | Low | 36 Ų | 36 | 67.7 Ų | 67.7 | 25% | 0.252 | 43% | 0.43 | S | S | . | . | trans | -72.9 | 25.4 | -166.8 | -68.3 | 0 | 0 | 0 | 0 | 116.6 | Q725 S731 | Q725-S729 WeakPolarHBondContact O-CB 3.2Å; Q725-S729 PolarHBondContact O-N 3.33Å; Q725-S729 PolarHBondContact O-OG 2.96Å; S729-S731 PolarHBondContact O-N 3.43Å | ||
| 730 | S | 52.1 | Low | 62.8 | Low | 102 Ų | 102 | 74.2 Ų | 74.2 | 71% | 0.713 | 47% | 0.465 | S | S | * | . | trans | -85.8 | 7.5 | -171.7 | -159 | 0 | 0 | 0 | 0 | 116.2 | S728 | S728-S730 PolarHBondContact O-N 3.11Š| ||
| 731 | S | 46.1 | Very low | 60.6 | Low | 59 Ų | 59 | 79.3 Ų | 79.3 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | trans | -129.4 | 42.9 | -174.4 | 66.3 | 0 | 0 | 0 | 0 | 116.2 | S729 N733 | S729-S731 PolarHBondContact O-N 3.43Å; S731-N733 PolarHBondContact O-N 2.86Å | ||
| 732 | L | 42.3 | Very low | 58.5 | Low | 158 Ų | 158 | 85.6 Ų | 85.6 | 83% | 0.827 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -71.7 | -8.8 | 164.4 | -81.6 | 161.2 | 0 | 0 | 0 | 113.5 | ||
| 733 | N | 34.2 | Very low | 56.9 | Low | 152 Ų | 152 | 93.8 Ų | 93.8 | 81% | 0.813 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -105.5 | 118.8 | 169.4 | -76.6 | -19.1 | 0 | 0 | 0 | 109.2 | S731 S735 | S731-N733 PolarHBondContact O-N 2.86Å; N733-S735 PolarHBondContact O-N 3.07Å |
| 734 | G | 37.6 | Very low | 55.4 | Low | 81 Ų | 81 | 99 Ų | 99 | 84% | 0.835 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -61.7 | 123 | -162.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 735 | S | 35.7 | Very low | 54.4 | Low | 111 Ų | 111 | 100 Ų | 100 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | trans | -172 | 73.9 | 145.4 | 58.7 | 0 | 0 | 0 | 0 | 108.3 | N733 | N733-S735 PolarHBondContact O-N 3.07Š| ||
| 736 | Q | 40.4 | Very low | 54 | Low | 145 Ų | 145 | 99 Ų | 99 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | trans | -117.9 | 112.2 | 159.2 | -79.9 | -175 | -13.5 | 0 | 0 | 107.3 | ||||
| 737 | S | 34 | Very low | 53.7 | Low | 95 Ų | 95 | 100 Ų | 100 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | trans | -60.4 | 141.4 | 159.8 | 43.5 | 0 | 0 | 0 | 0 | 108.9 | S739 | S737-S739 PolarHBondContact O-N 3.17Š| ||
| 738 | P | 39.2 | Very low | 53.7 | Low | 137 Ų | 137 | 102.7 Ų | 102.7 | 89% | 0.89 | 62% | 0.62 | S | S | * | * | trans | -78.1 | 90.7 | 178.1 | 32.5 | -30.3 | 0 | 0 | 0 | 108.4 | ||||
| 739 | S | 38.3 | Very low | 54 | Low | 93 Ų | 93 | 102.5 Ų | 102.5 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | trans | -117.8 | 109.2 | 162.8 | 53.3 | 0 | 0 | 0 | 0 | 107.9 | S737 | S737-S739 PolarHBondContact O-N 3.17Š| ||
| 740 | D | 39.4 | Very low | 55.3 | Low | 137 Ų | 137 | 105.7 Ų | 105.7 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | trans | 66.9 | 111.5 | 173.3 | -59.1 | -29.2 | 0 | 0 | 0 | 118.6 | E742 | D740-E742 PolarHBondContact O-N 3.37Š| ||
| 741 | P | 47 | Very low | 57.3 | Low | 141 Ų | 141 | 100.9 Ų | 100.9 | 92% | 0.916 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 1.9 | 178.4 | 0.4 | 9.7 | 0 | 0 | 0 | 116 | ||
| 742 | E | 47.7 | Very low | 59.6 | Low | 185 Ų | 185 | 98.1 Ų | 98.1 | 86% | 0.864 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -17.8 | -169.4 | -93.3 | -175.3 | 157 | 0 | 0 | 115.7 | D740 | D740-E742 PolarHBondContact O-N 3.37Š|
| 743 | E | 57.7 | Low | 62.1 | Low | 172 Ų | 172 | 93.4 Ų | 93.4 | 80% | 0.804 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -95.5 | 128.2 | -179.3 | -73.2 | -167.1 | 163.9 | 0 | 0 | 112.4 | ||
| 744 | P | 63.1 | Low | 65 | Low | 109 Ų | 109 | 87.1 Ų | 87.1 | 71% | 0.708 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -63 | 145.5 | 176 | 26 | -32.8 | 0 | 0 | 0 | 110.8 | ||
| 745 | P | 70.1 | Confident | 67.8 | Low | 71 Ų | 71 | 83.3 Ų | 83.3 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 144 | -178.9 | 24.4 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 746 | P | 81.6 | Confident | 70.7 | Confident | 65 Ų | 65 | 78 Ų | 78 | 42% | 0.422 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 142.5 | -177.9 | 26 | -33.7 | 0 | 0 | 0 | 111.8 | I911 | P746-I911 HydrophobicContact CB-CG2 3.4Å; P746-I911 HydrophobicContact CG-CG2 4.33Å |
| 747 | I | 86 | Confident | 73.3 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 13% | 0.133 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 128.4 | 178.4 | -61.2 | -172.5 | 0 | 0 | 0 | 109.7 | V724 C727 A749 A752 V806 A809 | V724-I747 HydrophobicContact CG2-CD1 4.34Å; C727-I747 HydrophobicContact CB-CG2 3.7Å; I747-A749 PolarHBondContact O-N 3.11Å; I747-A752 HydrophobicContact CG2-CB 4.04Å; I747-V806 HydrophobicContact CD1-CG1 4.14Å; I747-A809 HydrophobicContact CD1-CB 3.73Å |
| 748 | N | 89.1 | Confident | 76.2 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 32% | 0.321 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 126.4 | 176.8 | -175.9 | -37.2 | 0 | 0 | 0 | 111.6 | C727 E750 A751 A752 | C727-N748 WeakPolarHBondContact O-CB 3.46Å; C727-N748 PolarHBondContact O-N 3.11Å; C727-N748 VanDerWaalsContact O-N 3.13Å; N748-E750 PolarHBondContact O-N 3.41Å; N748-E750 PolarHBondContact OD1-N 3.44Å; N748-A751 HydrophobicContact CB-CB 4.05Å; N748-A751 WeakPolarHBondContact O-CB 3.4Å; N748-A751 PolarHBondContact O-N 3.3Å; N748-A751 VanDerWaalsContact O-N 3.16Å; N748-A752 PolarHBondContact O-N 3.15Å |
| 749 | A | 89.8 | Confident | 78.9 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.1 | -39.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | I747 K753 R811 F912 | I747-A749 PolarHBondContact O-N 3.11Å; A749-K753 VanDerWaalsContact O-CB 3.27Å; A749-K753 WeakPolarHBondContact O-CB 3.46Å; A749-K753 PolarHBondContact O-N 3.27Å; A749-R811 WeakPolarHBondContact CB-O 3.27Å; A749-F912 HydrophobicContact CB-CD2 3.98Å; A749-F912 HydrophobicContact CB-CE2 3.88Å |
| 750 | E | 90.4 | Very high | 81.5 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 49% | 0.486 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.7 | -34.6 | 178.4 | -75.1 | -62.7 | 131.9 | 0 | 0 | 111.6 | N748 K753 V754 | N748-E750 PolarHBondContact O-N 3.41Å; N748-E750 PolarHBondContact OD1-N 3.44Å; E750-K753 IonicContact OE1-NZ 2.76Å; E750-V754 VanDerWaalsContact O-CG2 3.25Å; E750-V754 WeakPolarHBondContact O-CG2 3.28Å; E750-V754 PolarHBondContact O-N 2.91Å |
| 751 | A | 92.9 | Very high | 84.1 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.8 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | L623 L627 C727 N748 K753 V754 I755 | L623-A751 HydrophobicContact CD2-CB 4.1Å; L627-A751 HydrophobicContact CD1-CB 3.9Å; C727-A751 HydrophobicContact CB-CB 3.86Å; N748-A751 HydrophobicContact CB-CB 4.05Å; N748-A751 WeakPolarHBondContact O-CB 3.4Å; N748-A751 PolarHBondContact O-N 3.3Å; N748-A751 VanDerWaalsContact O-N 3.16Å; A751-K753 VanDerWaalsContact C-N 3.33Å; A751-K753 PolarHBondContact O-N 3.37Å; A751-V754 WeakPolarHBondContact O-CB 3.32Å; A751-V754 PolarHBondContact O-N 3.16Å; A751-I755 PolarHBondContact O-N 3.03Å |
| 752 | A | 94.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I747 N748 V754 I755 A756 A813 | I747-A752 HydrophobicContact CG2-CB 4.04Å; N748-A752 PolarHBondContact O-N 3.15Å; A752-V754 VanDerWaalsContact C-N 3.3Å; A752-V754 PolarHBondContact O-N 3Å; A752-I755 WeakPolarHBondContact O-CB 3.33Å; A752-I755 PolarHBondContact O-N 3.27Å; A752-A756 WeakPolarHBondContact O-CB 3.5Å; A752-A756 PolarHBondContact O-N 3.08Å; A752-A813 VanDerWaalsContact C-CB 3.46Å; A752-A813 HydrophobicContact CB-CB 3.52Å |
| 753 | K | 95 | Very high | 88.3 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 26% | 0.261 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 173.5 | 174.5 | -179.7 | 175.5 | -176.6 | 0 | 112.4 | A749 E750 A751 A756 V757 A813 Y816 | A749-K753 VanDerWaalsContact O-CB 3.27Å; A749-K753 WeakPolarHBondContact O-CB 3.46Å; A749-K753 PolarHBondContact O-N 3.27Å; E750-K753 IonicContact OE1-NZ 2.76Å; A751-K753 VanDerWaalsContact C-N 3.33Å; A751-K753 PolarHBondContact O-N 3.37Å; K753-A756 WeakPolarHBondContact O-CB 3.29Å; K753-A756 PolarHBondContact O-N 3.38Å; K753-V757 HydrophobicContact CG-CG2 4.48Å; K753-V757 WeakPolarHBondContact O-CG2 3.41Å; K753-V757 PolarHBondContact O-N 3.44Å; K753-A813 HydrophobicContact CB-CB 4.41Å; K753-Y816 HydrophobicContact CB-CD2 4.31Å; K753-Y816 HydrophobicContact CB-CE2 4.35Å; K753-Y816 HydrophobicContact CD-CD2 4.23Å; K753-Y816 HydrophobicContact CD-CE2 3.67Å; K753-Y816 HydrophobicContact CG-CD2 3.77Å; K753-Y816 HydrophobicContact CG-CE2 3.75Å; K753-Y816 HydrophobicContact CG-CG 4.42Å |
| 754 | V | 96.2 | Very high | 89.6 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | K624 L627 E750 A751 A752 A756 V757 T758 | K624-V754 HydrophobicContact CB-CG1 4.4Å; K624-V754 HydrophobicContact CB-CG2 4.49Å; K624-V754 HydrophobicContact CD-CG2 4.24Å; K624-V754 HydrophobicContact CG-CG1 4.43Å; K624-V754 HydrophobicContact CG-CG2 3.66Å; L627-V754 HydrophobicContact CB-CG1 4.2Å; E750-V754 VanDerWaalsContact O-CG2 3.25Å; E750-V754 WeakPolarHBondContact O-CG2 3.28Å; E750-V754 PolarHBondContact O-N 2.91Å; A751-V754 WeakPolarHBondContact O-CB 3.32Å; A751-V754 PolarHBondContact O-N 3.16Å; A752-V754 VanDerWaalsContact C-N 3.3Å; A752-V754 PolarHBondContact O-N 3Å; V754-A756 VanDerWaalsContact C-N 3.3Å; V754-A756 PolarHBondContact O-N 3.1Å; V754-V757 PolarHBondContact O-N 3.28Å; V754-T758 WeakPolarHBondContact O-CB 3.44Å; V754-T758 PolarHBondContact O-N 3.47Å; V754-T758 PolarHBondContact O-OG1 3.49Å; V754-T758 VanDerWaalsContact O-OG1 3.06Å |
| 755 | I | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 175 | -59.4 | 167.1 | 0 | 0 | 0 | 110.1 | L627 V631 I723 A751 A752 V757 T758 L759 V806 V807 | L627-I755 HydrophobicContact CB-CG1 4.34Å; L627-I755 HydrophobicContact CD1-CG1 4.34Å; L627-I755 HydrophobicContact CD2-CD1 4.28Å; L627-I755 HydrophobicContact CD2-CG1 4.38Å; V631-I755 HydrophobicContact CG2-CG2 4Å; I723-I755 HydrophobicContact CG2-CD1 3.42Å; I723-I755 VanDerWaalsContact CG2-CD1 3.42Å; I723-I755 HydrophobicContact CG2-CG1 4.49Å; A751-I755 PolarHBondContact O-N 3.03Å; A752-I755 WeakPolarHBondContact O-CB 3.33Å; A752-I755 PolarHBondContact O-N 3.27Å; I755-V757 PolarHBondContact O-N 3.44Å; I755-T758 PolarHBondContact O-N 2.98Å; I755-L759 HydrophobicContact CG2-CD1 3.94Å; I755-L759 HydrophobicContact CG2-CG 4.27Å; I755-L759 WeakPolarHBondContact O-CB 3.21Å; I755-L759 VanDerWaalsContact O-CG 3.24Å; I755-L759 WeakPolarHBondContact O-CG 3.32Å; I755-L759 PolarHBondContact O-N 2.83Å; I755-V806 HydrophobicContact CD1-CG1 4Å; I755-V807 HydrophobicContact CB-CG2 3.95Å; I755-V807 HydrophobicContact CG2-CG2 3.56Å |
| 756 | A | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A752 K753 V754 L759 V760 V807 A813 C817 | A752-A756 WeakPolarHBondContact O-CB 3.5Å; A752-A756 PolarHBondContact O-N 3.08Å; K753-A756 WeakPolarHBondContact O-CB 3.29Å; K753-A756 PolarHBondContact O-N 3.38Å; V754-A756 VanDerWaalsContact C-N 3.3Å; V754-A756 PolarHBondContact O-N 3.1Å; A756-L759 PolarHBondContact O-N 2.9Å; A756-V760 VanDerWaalsContact O-CG2 3.23Å; A756-V760 WeakPolarHBondContact O-CG2 3.3Å; A756-V760 PolarHBondContact O-N 3.42Å; A756-V807 HydrophobicContact CB-CG1 3.72Å; A756-V807 HydrophobicContact CB-CG2 4.21Å; A756-A813 HydrophobicContact CB-CB 4.5Å; A756-C817 VanDerWaalsContact CA-SG 3.54Å; A756-C817 WeakPolarHBondContact CB-SG 3.49Å |
| 757 | V | 94.8 | Very high | 89.8 | Confident | 53 Ų | 53 | 41.6 Ų | 41.6 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.3 | -47.2 | 179.1 | 172 | 0 | 0 | 0 | 0 | 110.7 | K753 V754 I755 L759 V760 E761 | K753-V757 HydrophobicContact CG-CG2 4.48Å; K753-V757 WeakPolarHBondContact O-CG2 3.41Å; K753-V757 PolarHBondContact O-N 3.44Å; V754-V757 PolarHBondContact O-N 3.28Å; I755-V757 PolarHBondContact O-N 3.44Å; V757-L759 VanDerWaalsContact C-N 3.3Å; V757-L759 PolarHBondContact O-N 2.96Å; V757-V760 PolarHBondContact O-N 2.84Å; V757-V760 VanDerWaalsContact O-N 3.12Å; V757-E761 HydrophobicContact CG1-CG 4.33Å; V757-E761 WeakPolarHBondContact O-CG 3.45Å; V757-E761 PolarHBondContact O-N 2.87Å |
| 758 | T | 95.8 | Very high | 88.8 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -38.6 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | Q628 V631 E632 V754 I755 E761 N762 | Q628-T758 HydrophobicContact CB-CG2 4.44Å; Q628-T758 HydrophobicContact CG-CG2 3.92Å; V631-T758 HydrophobicContact CB-CG2 3.9Å; V631-T758 HydrophobicContact CG1-CG2 3.78Å; E632-T758 HydrophobicContact CG-CG2 3.89Å; V754-T758 WeakPolarHBondContact O-CB 3.44Å; V754-T758 PolarHBondContact O-N 3.47Å; V754-T758 PolarHBondContact O-OG1 3.49Å; V754-T758 VanDerWaalsContact O-OG1 3.06Å; I755-T758 PolarHBondContact O-N 2.98Å; T758-E761 PolarHBondContact O-N 2.94Å; T758-N762 WeakPolarHBondContact CG2-ND2 3.45Å; T758-N762 WeakPolarHBondContact O-CB 3.46Å; T758-N762 PolarHBondContact O-N 3.12Å; T758-N762 PolarHBondContact O-ND2 3.38Å |
| 759 | L | 95 | Very high | 87.8 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 173.8 | -77.9 | 172.5 | 0 | 0 | 0 | 111.5 | V631 L635 I755 A756 V757 N762 V763 L800 L803 L804 V807 | V631-L759 HydrophobicContact CG1-CD2 3.78Å; V631-L759 HydrophobicContact CG1-CG 4.12Å; L635-L759 HydrophobicContact CD1-CD2 4.38Å; I755-L759 HydrophobicContact CG2-CD1 3.94Å; I755-L759 HydrophobicContact CG2-CG 4.27Å; I755-L759 WeakPolarHBondContact O-CB 3.21Å; I755-L759 VanDerWaalsContact O-CG 3.24Å; I755-L759 WeakPolarHBondContact O-CG 3.32Å; I755-L759 PolarHBondContact O-N 2.83Å; A756-L759 PolarHBondContact O-N 2.9Å; V757-L759 VanDerWaalsContact C-N 3.3Å; V757-L759 PolarHBondContact O-N 2.96Å; L759-N762 PolarHBondContact O-N 3.26Å; L759-V763 VanDerWaalsContact O-CB 3.32Å; L759-V763 WeakPolarHBondContact O-CB 3.49Å; L759-V763 VanDerWaalsContact O-CG2 3.27Å; L759-V763 WeakPolarHBondContact O-CG2 3.35Å; L759-V763 PolarHBondContact O-N 3.35Å; L759-L800 HydrophobicContact CD2-CD2 3.67Å; L759-L803 HydrophobicContact CD1-CB 4.05Å; L759-L803 HydrophobicContact CD2-CB 4.12Å; L759-L803 HydrophobicContact CD2-CD1 3.93Å; L759-L804 HydrophobicContact CD1-CD2 4.28Å; L759-V807 HydrophobicContact CD1-CG2 3.98Å |
| 760 | V | 93.8 | Very high | 87 | Confident | 29 Ų | 29 | 44.6 Ų | 44.6 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | A756 V757 N762 V763 C764 Y816 C817 V820 | A756-V760 VanDerWaalsContact O-CG2 3.23Å; A756-V760 WeakPolarHBondContact O-CG2 3.3Å; A756-V760 PolarHBondContact O-N 3.42Å; V757-V760 PolarHBondContact O-N 2.84Å; V757-V760 VanDerWaalsContact O-N 3.12Å; V760-N762 VanDerWaalsContact C-N 3.28Å; V760-N762 PolarHBondContact O-N 3.06Å; V760-V763 PolarHBondContact O-N 3.31Å; V760-C764 CarbonylContact O-C 3.56Å; V760-C764 WeakPolarHBondContact O-CA 3.42Å; V760-C764 PolarHBondContact O-N 3.11Å; V760-C764 VanDerWaalsContact O-O 3.06Å; V760-Y816 WeakPolarHBondContact CG2-O 3.48Å; V760-C817 HydrophobicContact CG2-CB 4.5Å; V760-V820 HydrophobicContact CB-CG2 4.39Å; V760-V820 HydrophobicContact CG2-CG2 3.87Å |
| 761 | E | 92.9 | Very high | 86.7 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -36 | 178.7 | -71.4 | 172 | 167.8 | 0 | 0 | 112.9 | V757 T758 | V757-E761 HydrophobicContact CG1-CG 4.33Å; V757-E761 WeakPolarHBondContact O-CG 3.45Å; V757-E761 PolarHBondContact O-N 2.87Å; T758-E761 PolarHBondContact O-N 2.94Å |
| 762 | N | 91.5 | Very high | 86.3 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -84.3 | -30.9 | -179.3 | -78.5 | -90.1 | 0 | 0 | 0 | 113.8 | E632 L635 T758 L759 V760 | E632-N762 WeakPolarHBondContact CG-ND2 3.44Å; L635-N762 HydrophobicContact CD1-CB 3.78Å; T758-N762 WeakPolarHBondContact CG2-ND2 3.45Å; T758-N762 WeakPolarHBondContact O-CB 3.46Å; T758-N762 PolarHBondContact O-N 3.12Å; T758-N762 PolarHBondContact O-ND2 3.38Å; L759-N762 PolarHBondContact O-N 3.26Å; V760-N762 VanDerWaalsContact C-N 3.28Å; V760-N762 PolarHBondContact O-N 3.06Å |
| 763 | V | 91.2 | Very high | 86 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -94.6 | -33.6 | -175.6 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | L759 V760 H789 I790 C793 F794 L800 V820 | L759-V763 VanDerWaalsContact O-CB 3.32Å; L759-V763 WeakPolarHBondContact O-CB 3.49Å; L759-V763 VanDerWaalsContact O-CG2 3.27Å; L759-V763 WeakPolarHBondContact O-CG2 3.35Å; L759-V763 PolarHBondContact O-N 3.35Å; V760-V763 PolarHBondContact O-N 3.31Å; V763-H789 PolarHBondContact O-CD2 2.84Å; V763-I790 HydrophobicContact CG1-CB 4.42Å; V763-I790 HydrophobicContact CG1-CG1 4.23Å; V763-I790 HydrophobicContact CG1-CG2 4.1Å; V763-C793 HydrophobicContact CG1-CB 4.07Å; V763-F794 HydrophobicContact CG1-CE2 4.16Å; V763-L800 HydrophobicContact CG2-CD1 4.04Å; V763-L800 HydrophobicContact CG2-CD2 3.7Å; V763-V820 HydrophobicContact CB-CG2 4.46Å; V763-V820 HydrophobicContact CG1-CG1 4.34Å; V763-V820 HydrophobicContact CG1-CG2 4.42Å |
| 764 | C | 85.9 | Confident | 85.9 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | trans | -144 | 78.5 | -176.3 | -178 | 0 | 0 | 0 | 0 | 109.8 | V760 D766 R786 I790 | V760-C764 CarbonylContact O-C 3.56Å; V760-C764 WeakPolarHBondContact O-CA 3.42Å; V760-C764 PolarHBondContact O-N 3.11Å; V760-C764 VanDerWaalsContact O-O 3.06Å; C764-D766 PolarHBondContact O-N 3.06Å; C764-R786 VanDerWaalsContact SG-CD 3.56Å; C764-I790 HydrophobicContact CB-CD1 4.08Å; C764-I790 HydrophobicContact CB-CG1 4.07Å | ||
| 765 | P | 75.9 | Confident | 85.7 | Confident | 95 Ų | 95 | 49.6 Ų | 49.6 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | trans | -69.9 | -9.4 | -179.9 | 29.5 | -36 | 0 | 0 | 0 | 113.3 | V767 | P765-V767 PolarHBondContact O-N 3.42Š| ||
| 766 | D | 75.8 | Confident | 85.5 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | trans | -69.4 | 121.2 | 177.1 | -168.3 | -1.2 | 0 | 0 | 0 | 110.9 | C764 A768 | C764-D766 PolarHBondContact O-N 3.06Å; D766-A768 VanDerWaalsContact C-N 3.3Å; D766-A768 VanDerWaalsContact OD1-CB 3.25Å; D766-A768 WeakPolarHBondContact OD1-CB 3.29Å; D766-A768 PolarHBondContact OD1-N 3.41Å | ||
| 767 | V | 67.6 | Low | 85.2 | Confident | 134 Ų | 134 | 54.2 Ų | 54.2 | 81% | 0.812 | 32% | 0.321 | S | S | * | . | trans | -80.4 | -16.2 | 179.2 | -170.2 | 0 | 0 | 0 | 0 | 111 | P765 N769 G770 | P765-V767 PolarHBondContact O-N 3.42Å; V767-N769 PolarHBondContact O-N 3.3Å; V767-G770 PolarHBondContact O-N 3.06Å | ||
| 768 | A | 65.3 | Low | 85 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 130.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D766 G770 R786 | D766-A768 VanDerWaalsContact C-N 3.3Å; D766-A768 VanDerWaalsContact OD1-CB 3.25Å; D766-A768 WeakPolarHBondContact OD1-CB 3.29Å; D766-A768 PolarHBondContact OD1-N 3.41Å; A768-G770 VanDerWaalsContact C-N 3.32Å; A768-G770 PolarHBondContact O-N 2.85Å; A768-R786 PolarHBondContact O-NH1 3.48Å |
| 769 | N | 67 | Low | 84.7 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 38.2 | -176.7 | -54.6 | -40.1 | 0 | 0 | 0 | 113.6 | V767 E771 T783 R786 R822 | V767-N769 PolarHBondContact O-N 3.3Å; N769-E771 PolarHBondContact O-N 3.41Å; N769-T783 WeakPolarHBondContact ND2-CG2 3.49Å; N769-R786 PolarHBondContact O-NH1 3.03Å; N769-R822 PolarHBondContact O-NH2 2.91Å |
| 770 | G | 72.3 | Confident | 84.3 | Confident | 49 Ų | 49 | 62 Ų | 62 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | trans | -78.5 | 5.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V767 A768 | V767-G770 PolarHBondContact O-N 3.06Å; A768-G770 VanDerWaalsContact C-N 3.32Å; A768-G770 PolarHBondContact O-N 2.85Å | ||
| 771 | E | 84.1 | Confident | 84 | Confident | 130 Ų | 130 | 69.4 Ų | 69.4 | 61% | 0.607 | 38% | 0.381 | S | S | * | . | trans | -62.2 | 144.8 | 179.7 | -63.5 | -178.6 | -172.8 | 0 | 0 | 112.3 | N769 S773 | N769-E771 PolarHBondContact O-N 3.41Å; E771-S773 VanDerWaalsContact C-N 3.32Å; E771-S773 PolarHBondContact OE2-OG 3.48Å | ||
| 772 | L | 86.4 | Confident | 83.8 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -73.5 | -26.7 | 174.5 | -63.6 | 179.9 | 0 | 0 | 0 | 111.9 | C815 P898 L899 | L772-C815 WeakPolarHBondContact CD2-O 3.31Å; L772-P898 WeakPolarHBondContact O-CD 3.26Å; L772-L899 HydrophobicContact CB-CD2 4.03Å; L772-L899 HydrophobicContact CD1-CD2 4.25Å |
| 773 | S | 87.4 | Confident | 83.8 | Confident | 66 Ų | 66 | 67 Ų | 67 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -65.7 | 132.7 | 172.3 | 27.6 | 0 | 0 | 0 | 0 | 110.9 | E771 | E771-S773 VanDerWaalsContact C-N 3.32Å; E771-S773 PolarHBondContact OE2-OG 3.48Å |
| 774 | W | 92.2 | Very high | 83.7 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 5% | 0.049 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 126.8 | 177.8 | -80.9 | 49.3 | 0 | 0 | 0 | 110 | S818 L821 R822 L825 M857 W890 V893 R894 | W774-S818 PolarHBondContact NE1-OG 3.01Å; W774-L821 HydrophobicContact CZ2-CB 4.16Å; W774-R822 HydrophobicContact CD2-CB 4.43Å; W774-R822 HydrophobicContact CE3-CB 4.49Å; W774-R822 HydrophobicContact CH2-CB 3.99Å; W774-R822 HydrophobicContact CZ2-CB 3.9Å; W774-R822 HydrophobicContact CZ3-CB 4.26Å; W774-L825 HydrophobicContact CH2-CD2 4.05Å; W774-L825 HydrophobicContact CZ3-CD2 3.86Å; W774-M857 HydrophobicContact CH2-CE 4.24Å; W774-M857 HydrophobicContact CZ2-CE 4.44Å; W774-W890 AromaticContact CE3-CD2 3.93Å; W774-W890 HydrophobicContact CE3-CD2 3.93Å; W774-W890 HydrophobicContact CE3-CE3 4.07Å; W774-W890 HydrophobicContact CE3-CG 4.4Å; W774-W890 HydrophobicContact CE3-CZ2 4.41Å; W774-W890 HydrophobicContact CE3-CZ3 4.37Å; W774-W890 AromaticContact CZ3-CD2 3.89Å; W774-W890 HydrophobicContact CZ3-CD2 3.89Å; W774-W890 AromaticContact CZ3-CE3 3.6Å; W774-W890 HydrophobicContact CZ3-CE3 3.6Å; W774-W890 HydrophobicContact CZ3-CG 4.46Å; W774-W890 AromaticContact CZ3-CZ3 3.93Å; W774-W890 HydrophobicContact CZ3-CZ3 3.93Å; W774-V893 HydrophobicContact CD2-CB 4.17Å; W774-V893 HydrophobicContact CD2-CG1 3.55Å; W774-V893 VanDerWaalsContact CE2-CG1 3.45Å; W774-V893 HydrophobicContact CE3-CB 4.25Å; W774-V893 HydrophobicContact CE3-CG1 4.1Å; W774-V893 HydrophobicContact CG-CG1 3.82Å; W774-V893 HydrophobicContact CH2-CG1 4.42Å; W774-V893 HydrophobicContact CZ2-CG1 3.92Å; W774-R894 HydrophobicContact CB-CB 4.18Å |
| 775 | P | 92.3 | Very high | 83.9 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 20% | 0.201 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -76 | 168.9 | 177.6 | 33.5 | -35.4 | 0 | 0 | 0 | 111.7 | H779 W890 | P775-H779 HydrophobicContact CB-CB 3.76Å; P775-H779 HydrophobicContact CG-CB 4.14Å; P775-W890 PolarHBondContact O-NE1 3.07Å |
| 776 | P | 92.1 | Very high | 84.6 | Confident | 49 Ų | 49 | 73 Ų | 73 | 32% | 0.318 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 151.5 | 167.8 | 22.1 | -32.3 | 0 | 0 | 0 | 112.1 | E778 H779 | P776-E778 PolarHBondContact O-N 2.78Å; P776-H779 HydrophobicContact CG-CB 4.26Å; P776-H779 VanDerWaalsContact O-CB 3.25Å; P776-H779 WeakPolarHBondContact O-CB 3.41Å; P776-H779 PolarHBondContact O-N 3.22Å |
| 777 | E | 90.3 | Very high | 85.4 | Confident | 48 Ų | 48 | 69 Ų | 69 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -50.6 | -41.9 | 176.7 | -174.8 | -160.8 | 167.9 | 0 | 0 | 111.9 | H779 A780 R883 L887 | E777-H779 PolarHBondContact O-N 2.78Å; E777-H779 VanDerWaalsContact O-N 3.09Å; E777-A780 WeakPolarHBondContact O-CB 3.38Å; E777-A780 PolarHBondContact O-N 3.32Å; E777-R883 IonicContact OE1-CZ 3.56Å; E777-R883 IonicContact OE1-NH1 3.33Å; E777-R883 IonicContact OE1-NH2 3.92Å; E777-R883 PolarHBondContact OE1-NH2 2.87Å; E777-L887 HydrophobicContact CB-CD1 4.28Å; E777-L887 HydrophobicContact CG-CD1 4.12Å; E777-L887 WeakPolarHBondContact OE2-CD1 3.36Å |
| 778 | E | 89.8 | Confident | 86.6 | Confident | 142 Ų | 142 | 64.6 Ų | 64.6 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -56.5 | -29.8 | -179.5 | -63.7 | 174.6 | 174.8 | 0 | 0 | 113.3 | P776 A780 R781 | P776-E778 PolarHBondContact O-N 2.78Å; E778-A780 VanDerWaalsContact C-N 3.27Å; E778-A780 PolarHBondContact O-N 3.05Å; E778-R781 WeakPolarHBondContact O-CB 3.47Å; E778-R781 WeakPolarHBondContact O-CG 3.07Å; E778-R781 PolarHBondContact O-N 3.01Å |
| 779 | H | 88.9 | Confident | 87.8 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 29% | 0.292 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -67.2 | -27.3 | 177 | -172.3 | 86.8 | 0 | 0 | 0 | 112.3 | P775 P776 E777 R781 T782 | P775-H779 HydrophobicContact CB-CB 3.76Å; P775-H779 HydrophobicContact CG-CB 4.14Å; P776-H779 HydrophobicContact CG-CB 4.26Å; P776-H779 VanDerWaalsContact O-CB 3.25Å; P776-H779 WeakPolarHBondContact O-CB 3.41Å; P776-H779 PolarHBondContact O-N 3.22Å; E777-H779 PolarHBondContact O-N 2.78Å; E777-H779 VanDerWaalsContact O-N 3.09Å; H779-R781 PolarHBondContact O-N 2.95Å; H779-T782 PolarHBondContact O-N 2.88Å; H779-T782 PolarHBondContact O-OG1 2.94Å |
| 780 | A | 87 | Confident | 89.1 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -60.2 | -20.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E777 E778 T782 T783 V784 A826 W890 | E777-A780 WeakPolarHBondContact O-CB 3.38Å; E777-A780 PolarHBondContact O-N 3.32Å; E778-A780 VanDerWaalsContact C-N 3.27Å; E778-A780 PolarHBondContact O-N 3.05Å; A780-T782 PolarHBondContact O-N 3.41Å; A780-T783 PolarHBondContact O-N 3.26Å; A780-T783 PolarHBondContact O-OG1 2.98Å; A780-V784 PolarHBondContact O-N 3.13Å; A780-A826 HydrophobicContact CB-CB 3.87Å; A780-W890 HydrophobicContact CB-CH2 4.22Å |
| 781 | R | 87.9 | Confident | 90.1 | Very high | 185 Ų | 185 | 62.6 Ų | 62.6 | 70% | 0.698 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -65.4 | -24.4 | 174.2 | -61.7 | -179.2 | 179.8 | 169.1 | 1.7 | 113 | E778 H779 | E778-R781 WeakPolarHBondContact O-CB 3.47Å; E778-R781 WeakPolarHBondContact O-CG 3.07Å; E778-R781 PolarHBondContact O-N 3.01Å; H779-R781 PolarHBondContact O-N 2.95Å |
| 782 | T | 89.6 | Confident | 90.5 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 64% | 0.644 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -17.2 | 178.2 | 68.9 | 0 | 0 | 0 | 0 | 112.9 | H779 A780 | H779-T782 PolarHBondContact O-N 2.88Å; H779-T782 PolarHBondContact O-OG1 2.94Å; A780-T782 PolarHBondContact O-N 3.41Å |
| 783 | T | 90.3 | Very high | 90.8 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -105.3 | 12.8 | -179.6 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | N769 A780 E785 R786 D787 | N769-T783 WeakPolarHBondContact ND2-CG2 3.49Å; A780-T783 PolarHBondContact O-N 3.26Å; A780-T783 PolarHBondContact O-OG1 2.98Å; T783-E785 VanDerWaalsContact C-N 3.32Å; T783-E785 PolarHBondContact O-N 3.37Å; T783-E785 VanDerWaalsContact O-N 3.15Å; T783-R786 WeakPolarHBondContact O-CB 3.24Å; T783-R786 PolarHBondContact O-N 2.95Å; T783-R786 VanDerWaalsContact O-N 3.11Å; T783-D787 WeakPolarHBondContact CB-OD2 3.23Å; T783-D787 PolarHBondContact O-N 2.76Å; T783-D787 PolarHBondContact OG1-OD2 2.99Å |
| 784 | V | 90.4 | Very high | 91.1 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -51.9 | -42 | -170.8 | 65 | 0 | 0 | 0 | 0 | 114.3 | A780 D787 I788 | A780-V784 PolarHBondContact O-N 3.13Å; V784-D787 PolarHBondContact O-N 3.35Å; V784-I788 HydrophobicContact CG2-CD1 3.73Å; V784-I788 HydrophobicContact CG2-CG1 4.29Å; V784-I788 WeakPolarHBondContact O-CB 3.43Å; V784-I788 VanDerWaalsContact O-CG1 3.22Å; V784-I788 WeakPolarHBondContact O-CG1 3.46Å; V784-I788 PolarHBondContact O-N 3.18Å |
| 785 | E | 89.8 | Confident | 91.1 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.5 | -44.4 | -178.3 | -177 | 58.2 | -155.6 | 0 | 0 | 111.7 | T783 D787 I788 H789 | T783-E785 VanDerWaalsContact C-N 3.32Å; T783-E785 PolarHBondContact O-N 3.37Å; T783-E785 VanDerWaalsContact O-N 3.15Å; E785-D787 VanDerWaalsContact C-N 3.33Å; E785-D787 PolarHBondContact O-N 2.86Å; E785-I788 PolarHBondContact O-N 3.2Å; E785-H789 WeakPolarHBondContact O-CB 3.36Å; E785-H789 PolarHBondContact O-N 3.28Å |
| 786 | R | 90.2 | Very high | 91 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.9 | -175.1 | -159.9 | 69.4 | 175.6 | -13.3 | 110.6 | C764 A768 N769 T783 H789 I790 R822 | C764-R786 VanDerWaalsContact SG-CD 3.56Å; A768-R786 PolarHBondContact O-NH1 3.48Å; N769-R786 PolarHBondContact O-NH1 3.03Å; T783-R786 WeakPolarHBondContact O-CB 3.24Å; T783-R786 PolarHBondContact O-N 2.95Å; T783-R786 VanDerWaalsContact O-N 3.11Å; R786-H789 WeakPolarHBondContact O-CB 3.16Å; R786-H789 PolarHBondContact O-N 3.3Å; R786-I790 HydrophobicContact CG-CD1 4.24Å; R786-I790 VanDerWaalsContact O-CG1 3.31Å; R786-I790 WeakPolarHBondContact O-CG1 3.36Å; R786-I790 PolarHBondContact O-N 3.33Å; R786-R822 VanDerWaalsContact CZ-NH1 3.34Å |
| 787 | D | 92.4 | Very high | 91 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | -177.8 | -59 | -22.5 | 0 | 0 | 0 | 110.5 | T783 V784 E785 H789 I790 R791 G823 A826 T827 | T783-D787 WeakPolarHBondContact CB-OD2 3.23Å; T783-D787 PolarHBondContact O-N 2.76Å; T783-D787 PolarHBondContact OG1-OD2 2.99Å; V784-D787 PolarHBondContact O-N 3.35Å; E785-D787 VanDerWaalsContact C-N 3.33Å; E785-D787 PolarHBondContact O-N 2.86Å; D787-H789 VanDerWaalsContact C-N 3.35Å; D787-H789 PolarHBondContact O-N 3.14Å; D787-I790 PolarHBondContact O-N 3.45Å; D787-R791 PolarHBondContact O-N 3.1Å; D787-G823 VanDerWaalsContact OD1-CA 3.26Å; D787-G823 WeakPolarHBondContact OD1-CA 3.48Å; D787-A826 HydrophobicContact CB-CB 4.42Å; D787-T827 HydrophobicContact CB-CG2 3.74Å; D787-T827 WeakPolarHBondContact O-CG2 3.41Å |
| 788 | I | 92.3 | Very high | 91 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 171.5 | -70.7 | 169.7 | 0 | 0 | 0 | 111.2 | V784 E785 R791 R792 T827 | V784-I788 HydrophobicContact CG2-CD1 3.73Å; V784-I788 HydrophobicContact CG2-CG1 4.29Å; V784-I788 WeakPolarHBondContact O-CB 3.43Å; V784-I788 VanDerWaalsContact O-CG1 3.22Å; V784-I788 WeakPolarHBondContact O-CG1 3.46Å; V784-I788 PolarHBondContact O-N 3.18Å; E785-I788 PolarHBondContact O-N 3.2Å; I788-R791 PolarHBondContact O-N 3.25Å; I788-R792 HydrophobicContact CG2-CG 4.38Å; I788-R792 WeakPolarHBondContact O-CG 3.33Å; I788-R792 PolarHBondContact O-N 3.29Å; I788-T827 HydrophobicContact CG1-CG2 4.43Å |
| 789 | H | 92 | Very high | 91.2 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 32% | 0.319 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 175.9 | -179.8 | 78.6 | 0 | 0 | 0 | 111.2 | V763 E785 R786 D787 R791 R792 C793 | V763-H789 PolarHBondContact O-CD2 2.84Å; E785-H789 WeakPolarHBondContact O-CB 3.36Å; E785-H789 PolarHBondContact O-N 3.28Å; R786-H789 WeakPolarHBondContact O-CB 3.16Å; R786-H789 PolarHBondContact O-N 3.3Å; D787-H789 VanDerWaalsContact C-N 3.35Å; D787-H789 PolarHBondContact O-N 3.14Å; H789-R791 PolarHBondContact O-N 3.06Å; H789-R792 PolarHBondContact O-N 3.34Å; H789-C793 PolarHBondContact O-N 2.88Å; H789-C793 PolarHBondContact O-SG 3.13Å; H789-C793 VanDerWaalsContact O-SG 3.35Å |
| 790 | I | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.3 | -51.2 | 175 | -68.2 | 163.8 | 0 | 0 | 0 | 109.9 | V763 C764 R786 D787 R792 C793 F794 V820 L824 | V763-I790 HydrophobicContact CG1-CB 4.42Å; V763-I790 HydrophobicContact CG1-CG1 4.23Å; V763-I790 HydrophobicContact CG1-CG2 4.1Å; C764-I790 HydrophobicContact CB-CD1 4.08Å; C764-I790 HydrophobicContact CB-CG1 4.07Å; R786-I790 HydrophobicContact CG-CD1 4.24Å; R786-I790 VanDerWaalsContact O-CG1 3.31Å; R786-I790 WeakPolarHBondContact O-CG1 3.36Å; R786-I790 PolarHBondContact O-N 3.33Å; D787-I790 PolarHBondContact O-N 3.45Å; I790-R792 PolarHBondContact O-N 3.26Å; I790-C793 WeakPolarHBondContact O-CB 3.28Å; I790-C793 PolarHBondContact O-N 3.45Å; I790-F794 HydrophobicContact CG2-CD2 4.11Å; I790-F794 HydrophobicContact CG2-CE2 4.03Å; I790-F794 WeakPolarHBondContact O-CD2 3.36Å; I790-F794 PolarHBondContact O-N 3.17Å; I790-F794 VanDerWaalsContact O-N 3.14Å; I790-V820 HydrophobicContact CG2-CG1 4.16Å; I790-L824 HydrophobicContact CG2-CB 4.43Å |
| 791 | R | 93.4 | Very high | 91.9 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.9 | -49.1 | 178.7 | -169.3 | -171.7 | 75.6 | -146.8 | -2.8 | 112 | D787 I788 H789 C793 F794 E795 L824 T827 W845 | D787-R791 PolarHBondContact O-N 3.1Å; I788-R791 PolarHBondContact O-N 3.25Å; H789-R791 PolarHBondContact O-N 3.06Å; R791-C793 PolarHBondContact O-N 3.37Å; R791-F794 WeakPolarHBondContact O-CB 3.46Å; R791-F794 PolarHBondContact O-N 2.92Å; R791-E795 WeakPolarHBondContact CD-OE1 3.43Å; R791-E795 IonicContact CZ-OE1 3.64Å; R791-E795 IonicContact NE-OE1 2.75Å; R791-E795 PolarHBondContact NE-OE1 2.76Å; R791-E795 IonicContact NH2-OE1 3.64Å; R791-E795 PolarHBondContact O-N 3.13Å; R791-L824 HydrophobicContact CB-CD1 4.49Å; R791-L824 HydrophobicContact CG-CD1 4.33Å; R791-T827 HydrophobicContact CB-CG2 4.01Å; R791-W845 HydrophobicContact CG-CH2 3.58Å; R791-W845 HydrophobicContact CG-CZ3 3.83Å |
| 792 | R | 92.2 | Very high | 92.3 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 40% | 0.404 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.2 | -33.7 | 178.3 | -72.4 | -179.1 | 177.9 | 165.1 | 4.7 | 112.1 | M650 I788 H789 I790 E795 A796 | M650-R792 HydrophobicContact CE-CB 3.24Å; M650-R792 HydrophobicContact CE-CG 4.36Å; M650-R792 HydrophobicContact SD-CB 3.67Å; M650-R792 HydrophobicContact SD-CG 4.49Å; I788-R792 HydrophobicContact CG2-CG 4.38Å; I788-R792 WeakPolarHBondContact O-CG 3.33Å; I788-R792 PolarHBondContact O-N 3.29Å; H789-R792 PolarHBondContact O-N 3.34Å; I790-R792 PolarHBondContact O-N 3.26Å; R792-E795 PolarHBondContact O-N 2.83Å; R792-A796 WeakPolarHBondContact O-CB 3.38Å; R792-A796 PolarHBondContact O-N 3.47Å |
| 793 | C | 92.5 | Very high | 92.6 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 10% | 0.095 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 173.4 | -72.9 | 0 | 0 | 0 | 0 | 112 | V763 H789 I790 R791 A796 H797 L800 | V763-C793 HydrophobicContact CG1-CB 4.07Å; H789-C793 PolarHBondContact O-N 2.88Å; H789-C793 PolarHBondContact O-SG 3.13Å; H789-C793 VanDerWaalsContact O-SG 3.35Å; I790-C793 WeakPolarHBondContact O-CB 3.28Å; I790-C793 PolarHBondContact O-N 3.45Å; R791-C793 PolarHBondContact O-N 3.37Å; C793-A796 PolarHBondContact O-N 3.08Å; C793-H797 WeakPolarHBondContact O-CB 3.44Å; C793-H797 PolarHBondContact O-N 2.58Å; C793-H797 PolarHBondContact O-ND1 2.8Å; C793-H797 VanDerWaalsContact O-ND1 3.16Å; C793-L800 HydrophobicContact CB-CD1 4.39Å; C793-L800 WeakPolarHBondContact O-CD1 3.43Å |
| 794 | F | 93.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 174.1 | -83.1 | -97.7 | 0 | 0 | 0 | 113.3 | V763 I790 R791 A796 L800 F801 L804 V820 L824 W845 | V763-F794 HydrophobicContact CG1-CE2 4.16Å; I790-F794 HydrophobicContact CG2-CD2 4.11Å; I790-F794 HydrophobicContact CG2-CE2 4.03Å; I790-F794 WeakPolarHBondContact O-CD2 3.36Å; I790-F794 PolarHBondContact O-N 3.17Å; I790-F794 VanDerWaalsContact O-N 3.14Å; R791-F794 WeakPolarHBondContact O-CB 3.46Å; R791-F794 PolarHBondContact O-N 2.92Å; F794-A796 VanDerWaalsContact C-N 3.34Å; F794-L800 HydrophobicContact CD1-CB 3.76Å; F794-L800 HydrophobicContact CD1-CD1 4.35Å; F794-L800 HydrophobicContact CD2-CD1 4.05Å; F794-L800 HydrophobicContact CE1-CB 3.58Å; F794-L800 HydrophobicContact CE2-CD1 4.22Å; F794-L800 HydrophobicContact CG-CB 4.36Å; F794-L800 HydrophobicContact CG-CD1 4.11Å; F794-L800 HydrophobicContact CZ-CB 4.03Å; F794-L800 HydrophobicContact CZ-CD1 4.44Å; F794-F801 HydrophobicContact CB-CE2 4.34Å; F794-F801 HydrophobicContact CD1-CD1 4.22Å; F794-F801 AromaticContact CD1-CD2 3.98Å; F794-F801 HydrophobicContact CD1-CD2 3.98Å; F794-F801 AromaticContact CD1-CE1 3.98Å; F794-F801 HydrophobicContact CD1-CE1 3.98Å; F794-F801 AromaticContact CD1-CE2 3.72Å; F794-F801 HydrophobicContact CD1-CE2 3.72Å; F794-F801 HydrophobicContact CD1-CG 4.21Å; F794-F801 AromaticContact CD1-CZ 3.71Å; F794-F801 HydrophobicContact CD1-CZ 3.71Å; F794-F801 HydrophobicContact CE1-CD1 4.25Å; F794-F801 HydrophobicContact CE1-CE1 4.25Å; F794-F801 HydrophobicContact CE1-CG 4.43Å; F794-F801 HydrophobicContact CE1-CZ 4.44Å; F794-F801 HydrophobicContact CG-CE2 4.5Å; F794-F801 HydrophobicContact CG-CZ 4.48Å; F794-L804 HydrophobicContact CE1-CD1 3.65Å; F794-L804 HydrophobicContact CE1-CG 4.44Å; F794-L804 HydrophobicContact CZ-CD1 3.65Å; F794-L804 HydrophobicContact CZ-CG 4.36Å; F794-V820 HydrophobicContact CE2-CG1 3.45Å; F794-V820 VanDerWaalsContact CE2-CG1 3.45Å; F794-V820 HydrophobicContact CZ-CG1 3.64Å; F794-L824 HydrophobicContact CD1-CD2 4.21Å; F794-L824 HydrophobicContact CD2-CD1 4.47Å; F794-L824 HydrophobicContact CD2-CD2 4.49Å; F794-L824 HydrophobicContact CE1-CD2 4.25Å; F794-L824 HydrophobicContact CG-CD1 4.43Å; F794-L824 HydrophobicContact CG-CD2 4.34Å; F794-L824 HydrophobicContact CZ-CD2 4.43Å; F794-W845 HydrophobicContact CB-CZ2 4.08Å |
| 795 | E | 91.4 | Very high | 93.1 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 34% | 0.341 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 172.2 | -68.9 | 170.3 | -168.2 | 0 | 0 | 110.7 | R791 R792 W845 | R791-E795 WeakPolarHBondContact CD-OE1 3.43Å; R791-E795 IonicContact CZ-OE1 3.64Å; R791-E795 IonicContact NE-OE1 2.75Å; R791-E795 PolarHBondContact NE-OE1 2.76Å; R791-E795 IonicContact NH2-OE1 3.64Å; R791-E795 PolarHBondContact O-N 3.13Å; R792-E795 PolarHBondContact O-N 2.83Å; E795-W845 HydrophobicContact CB-CZ2 4.18Å; E795-W845 HydrophobicContact CG-CD2 4.02Å; E795-W845 HydrophobicContact CG-CE3 4.19Å; E795-W845 HydrophobicContact CG-CH2 3.55Å; E795-W845 HydrophobicContact CG-CZ2 3.31Å; E795-W845 HydrophobicContact CG-CZ3 3.98Å |
| 796 | A | 89.8 | Confident | 93.3 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76.2 | -26.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G645 Q646 R792 C793 F794 | G645-A796 CarbonylContact C-O 3.53Å; G645-A796 WeakPolarHBondContact CA-O 3.15Å; Q646-A796 PolarHBondContact N-O 2.89Å; R792-A796 WeakPolarHBondContact O-CB 3.38Å; R792-A796 PolarHBondContact O-N 3.47Å; C793-A796 PolarHBondContact O-N 3.08Å; F794-A796 VanDerWaalsContact C-N 3.34Å |
| 797 | H | 92.1 | Very high | 93.6 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 17% | 0.171 | 14% | 0.138 | C | C | . | . | trans | -130.8 | 90.9 | -175.7 | -55.7 | 88.8 | 0 | 0 | 0 | 111.8 | L635 C793 V799 L800 | L635-H797 HydrophobicContact CD2-CB 4.03Å; C793-H797 WeakPolarHBondContact O-CB 3.44Å; C793-H797 PolarHBondContact O-N 2.58Å; C793-H797 PolarHBondContact O-ND1 2.8Å; C793-H797 VanDerWaalsContact O-ND1 3.16Å; H797-V799 HydrophobicContact CB-CG1 4.48Å; H797-V799 PolarHBondContact O-N 3.38Å; H797-V799 VanDerWaalsContact O-N 3.08Å; H797-L800 HydrophobicContact CB-CD1 3.95Å; H797-L800 HydrophobicContact CB-CG 4.05Å; H797-L800 WeakPolarHBondContact O-CB 3.38Å; H797-L800 PolarHBondContact O-N 3.48Å; H797-L800 VanDerWaalsContact O-N 3.14Å | ||
| 798 | P | 90.7 | Very high | 93.7 | Very high | 54 Ų | 54 | 28.4 Ų | 28.4 | 35% | 0.351 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.3 | -179.2 | -26 | 35.1 | 0 | 0 | 0 | 114.6 | L800 F801 P802 | P798-L800 PolarHBondContact O-N 2.91Å; P798-F801 PolarHBondContact O-N 3.41Å; P798-P802 WeakPolarHBondContact O-CD 3.41Å |
| 799 | V | 94.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.7 | 179 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | L635 F643 I716 L719 H797 F801 P802 L803 | L635-V799 HydrophobicContact CD2-CG1 3.8Å; F643-V799 HydrophobicContact CB-CB 4.07Å; F643-V799 HydrophobicContact CB-CG1 4.49Å; F643-V799 HydrophobicContact CB-CG2 4.4Å; I716-V799 HydrophobicContact CG1-CG2 4.38Å; L719-V799 HydrophobicContact CD2-CG2 3.83Å; H797-V799 HydrophobicContact CB-CG1 4.48Å; H797-V799 PolarHBondContact O-N 3.38Å; H797-V799 VanDerWaalsContact O-N 3.08Å; V799-F801 PolarHBondContact O-N 3.09Å; V799-P802 WeakPolarHBondContact O-CD 3.31Å; V799-L803 HydrophobicContact CG1-CD1 4.34Å; V799-L803 HydrophobicContact CG2-CD1 4.13Å; V799-L803 HydrophobicContact CG2-CG 4.26Å; V799-L803 VanDerWaalsContact O-CG 3.29Å; V799-L803 WeakPolarHBondContact O-CG 3.37Å; V799-L803 PolarHBondContact O-N 3.14Å; V799-L803 VanDerWaalsContact O-N 3.11Å |
| 800 | L | 95.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 179.7 | -72.3 | 172.3 | 0 | 0 | 0 | 112.9 | L635 L759 V763 C793 F794 H797 P798 L803 L804 | L635-L800 HydrophobicContact CD1-CD2 3.92Å; L635-L800 HydrophobicContact CD2-CD2 3.61Å; L635-L800 HydrophobicContact CD2-CG 3.94Å; L635-L800 HydrophobicContact CG-CD2 4.41Å; L759-L800 HydrophobicContact CD2-CD2 3.67Å; V763-L800 HydrophobicContact CG2-CD1 4.04Å; V763-L800 HydrophobicContact CG2-CD2 3.7Å; C793-L800 HydrophobicContact CB-CD1 4.39Å; C793-L800 WeakPolarHBondContact O-CD1 3.43Å; F794-L800 HydrophobicContact CD1-CB 3.76Å; F794-L800 HydrophobicContact CD1-CD1 4.35Å; F794-L800 HydrophobicContact CD2-CD1 4.05Å; F794-L800 HydrophobicContact CE1-CB 3.58Å; F794-L800 HydrophobicContact CE2-CD1 4.22Å; F794-L800 HydrophobicContact CG-CB 4.36Å; F794-L800 HydrophobicContact CG-CD1 4.11Å; F794-L800 HydrophobicContact CZ-CB 4.03Å; F794-L800 HydrophobicContact CZ-CD1 4.44Å; H797-L800 HydrophobicContact CB-CD1 3.95Å; H797-L800 HydrophobicContact CB-CG 4.05Å; H797-L800 WeakPolarHBondContact O-CB 3.38Å; H797-L800 PolarHBondContact O-N 3.48Å; H797-L800 VanDerWaalsContact O-N 3.14Å; P798-L800 PolarHBondContact O-N 2.91Å; L800-L803 PolarHBondContact O-N 3.08Å; L800-L804 WeakPolarHBondContact O-CG 3.25Å; L800-L804 PolarHBondContact O-N 2.99Å |
| 801 | F | 95.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -51 | 177.8 | -76.1 | -72.5 | 0 | 0 | 0 | 112.3 | F794 P798 V799 L803 L804 Q805 L824 A849 L852 | F794-F801 HydrophobicContact CB-CE2 4.34Å; F794-F801 HydrophobicContact CD1-CD1 4.22Å; F794-F801 AromaticContact CD1-CD2 3.98Å; F794-F801 HydrophobicContact CD1-CD2 3.98Å; F794-F801 AromaticContact CD1-CE1 3.98Å; F794-F801 HydrophobicContact CD1-CE1 3.98Å; F794-F801 AromaticContact CD1-CE2 3.72Å; F794-F801 HydrophobicContact CD1-CE2 3.72Å; F794-F801 HydrophobicContact CD1-CG 4.21Å; F794-F801 AromaticContact CD1-CZ 3.71Å; F794-F801 HydrophobicContact CD1-CZ 3.71Å; F794-F801 HydrophobicContact CE1-CD1 4.25Å; F794-F801 HydrophobicContact CE1-CE1 4.25Å; F794-F801 HydrophobicContact CE1-CG 4.43Å; F794-F801 HydrophobicContact CE1-CZ 4.44Å; F794-F801 HydrophobicContact CG-CE2 4.5Å; F794-F801 HydrophobicContact CG-CZ 4.48Å; P798-F801 PolarHBondContact O-N 3.41Å; V799-F801 PolarHBondContact O-N 3.09Å; F801-L803 VanDerWaalsContact C-N 3.3Å; F801-L803 PolarHBondContact O-N 3.43Å; F801-L804 WeakPolarHBondContact O-CB 3.45Å; F801-L804 PolarHBondContact O-N 2.93Å; F801-Q805 PolarHBondContact O-N 2.91Å; F801-L824 HydrophobicContact CE1-CD2 4.11Å; F801-L824 HydrophobicContact CZ-CD2 4.29Å; F801-A849 HydrophobicContact CE1-CB 4.39Å; F801-A849 HydrophobicContact CZ-CB 3.68Å; F801-L852 HydrophobicContact CB-CD1 4.04Å; F801-L852 HydrophobicContact CD1-CB 3.66Å; F801-L852 HydrophobicContact CD1-CD1 3.8Å; F801-L852 HydrophobicContact CD1-CG 4.38Å; F801-L852 HydrophobicContact CD2-CD1 4.11Å; F801-L852 HydrophobicContact CE1-CB 3.87Å; F801-L852 HydrophobicContact CE1-CD1 4.24Å; F801-L852 HydrophobicContact CG-CB 4.43Å; F801-L852 HydrophobicContact CG-CD1 3.73Å |
| 802 | P | 95.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.6 | -34.6 | 173.8 | -23.4 | 30.2 | 0 | 0 | 0 | 114.5 | I716 L720 P798 V799 Q805 V806 | I716-P802 HydrophobicContact CG2-CB 4.19Å; I716-P802 HydrophobicContact CG2-CG 3.99Å; L720-P802 HydrophobicContact CD1-CB 3.58Å; L720-P802 HydrophobicContact CD2-CB 3.92Å; L720-P802 HydrophobicContact CG-CB 4.28Å; P798-P802 WeakPolarHBondContact O-CD 3.41Å; V799-P802 WeakPolarHBondContact O-CD 3.31Å; P802-Q805 WeakPolarHBondContact O-CB 3.14Å; P802-Q805 PolarHBondContact O-N 3.46Å; P802-V806 PolarHBondContact O-N 3.2Å; P802-V806 VanDerWaalsContact O-N 3.15Å |
| 803 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 174.6 | -70.4 | 171.3 | 0 | 0 | 0 | 111.8 | L720 I723 L759 V799 L800 F801 Q805 V806 V807 | L720-L803 HydrophobicContact CD2-CD2 4.28Å; I723-L803 HydrophobicContact CD1-CD2 3.53Å; L759-L803 HydrophobicContact CD1-CB 4.05Å; L759-L803 HydrophobicContact CD2-CB 4.12Å; L759-L803 HydrophobicContact CD2-CD1 3.93Å; V799-L803 HydrophobicContact CG1-CD1 4.34Å; V799-L803 HydrophobicContact CG2-CD1 4.13Å; V799-L803 HydrophobicContact CG2-CG 4.26Å; V799-L803 VanDerWaalsContact O-CG 3.29Å; V799-L803 WeakPolarHBondContact O-CG 3.37Å; V799-L803 PolarHBondContact O-N 3.14Å; V799-L803 VanDerWaalsContact O-N 3.11Å; L800-L803 PolarHBondContact O-N 3.08Å; F801-L803 VanDerWaalsContact C-N 3.3Å; F801-L803 PolarHBondContact O-N 3.43Å; L803-Q805 VanDerWaalsContact C-N 3.33Å; L803-Q805 PolarHBondContact O-N 2.9Å; L803-V806 PolarHBondContact O-N 2.95Å; L803-V807 WeakPolarHBondContact O-CG2 3.43Å; L803-V807 PolarHBondContact O-N 3.24Å; L803-V807 VanDerWaalsContact O-N 3.11Å |
| 804 | L | 95.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.8 | -37.6 | 172.4 | -78.7 | -176.4 | 0 | 0 | 0 | 112.5 | L759 F794 L800 F801 V806 V807 A808 L814 C817 L821 | L759-L804 HydrophobicContact CD1-CD2 4.28Å; F794-L804 HydrophobicContact CE1-CD1 3.65Å; F794-L804 HydrophobicContact CE1-CG 4.44Å; F794-L804 HydrophobicContact CZ-CD1 3.65Å; F794-L804 HydrophobicContact CZ-CG 4.36Å; L800-L804 WeakPolarHBondContact O-CG 3.25Å; L800-L804 PolarHBondContact O-N 2.99Å; F801-L804 WeakPolarHBondContact O-CB 3.45Å; F801-L804 PolarHBondContact O-N 2.93Å; L804-V806 VanDerWaalsContact C-N 3.35Å; L804-V807 CarbonylContact O-C 3.39Å; L804-V807 WeakPolarHBondContact O-CB 3.33Å; L804-V807 PolarHBondContact O-N 2.63Å; L804-A808 WeakPolarHBondContact O-CB 3.07Å; L804-A808 PolarHBondContact O-N 3.23Å; L804-L814 HydrophobicContact CD2-CD1 4.39Å; L804-C817 HydrophobicContact CD2-CB 4.25Å; L804-L821 HydrophobicContact CD1-CD2 4.25Å |
| 805 | Q | 94.8 | Very high | 93.8 | Very high | 69 Ų | 69 | 21.1 Ų | 21.1 | 32% | 0.322 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.1 | -71.4 | 175.5 | -29.7 | 0 | 0 | 111.9 | F801 P802 L803 V807 A808 A809 | F801-Q805 PolarHBondContact O-N 2.91Å; P802-Q805 WeakPolarHBondContact O-CB 3.14Å; P802-Q805 PolarHBondContact O-N 3.46Å; L803-Q805 VanDerWaalsContact C-N 3.33Å; L803-Q805 PolarHBondContact O-N 2.9Å; Q805-V807 VanDerWaalsContact C-N 3.3Å; Q805-V807 PolarHBondContact O-N 3.02Å; Q805-A808 WeakPolarHBondContact O-CB 3.45Å; Q805-A808 PolarHBondContact O-N 3.2Å; Q805-A809 PolarHBondContact O-N 3.34Å |
| 806 | V | 94.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 7% | 0.073 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 173.2 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L720 I723 V724 I747 I755 P802 L803 L804 A809 G810 | L720-V806 HydrophobicContact CD2-CG2 3.78Å; I723-V806 HydrophobicContact CG2-CG1 3.93Å; V724-V806 HydrophobicContact CG2-CG1 4.48Å; V724-V806 HydrophobicContact CG2-CG2 4.14Å; I747-V806 HydrophobicContact CD1-CG1 4.14Å; I755-V806 HydrophobicContact CD1-CG1 4Å; P802-V806 PolarHBondContact O-N 3.2Å; P802-V806 VanDerWaalsContact O-N 3.15Å; L803-V806 PolarHBondContact O-N 2.95Å; L804-V806 VanDerWaalsContact C-N 3.35Å; V806-A809 PolarHBondContact O-N 2.93Å; V806-G810 PolarHBondContact O-N 2.82Å |
| 807 | V | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | I755 A756 L759 L803 L804 Q805 A809 G810 A813 L814 | I755-V807 HydrophobicContact CB-CG2 3.95Å; I755-V807 HydrophobicContact CG2-CG2 3.56Å; A756-V807 HydrophobicContact CB-CG1 3.72Å; A756-V807 HydrophobicContact CB-CG2 4.21Å; L759-V807 HydrophobicContact CD1-CG2 3.98Å; L803-V807 WeakPolarHBondContact O-CG2 3.43Å; L803-V807 PolarHBondContact O-N 3.24Å; L803-V807 VanDerWaalsContact O-N 3.11Å; L804-V807 CarbonylContact O-C 3.39Å; L804-V807 WeakPolarHBondContact O-CB 3.33Å; L804-V807 PolarHBondContact O-N 2.63Å; Q805-V807 VanDerWaalsContact C-N 3.3Å; Q805-V807 PolarHBondContact O-N 3.02Å; V807-A809 VanDerWaalsContact C-N 3.35Å; V807-G810 PolarHBondContact O-N 3.06Å; V807-A813 HydrophobicContact CG1-CB 3.91Å; V807-L814 HydrophobicContact CG1-CB 4.19Å; V807-L814 HydrophobicContact CG1-CD1 3.99Å |
| 808 | A | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L804 Q805 G810 L814 C856 E859 G860 | L804-A808 WeakPolarHBondContact O-CB 3.07Å; L804-A808 PolarHBondContact O-N 3.23Å; Q805-A808 WeakPolarHBondContact O-CB 3.45Å; Q805-A808 PolarHBondContact O-N 3.2Å; A808-G810 VanDerWaalsContact C-N 3.34Å; A808-G810 PolarHBondContact O-N 2.98Å; A808-L814 HydrophobicContact CB-CD1 4.49Å; A808-L814 HydrophobicContact CB-CD2 4.04Å; A808-C856 WeakPolarHBondContact CB-O 3.47Å; A808-E859 HydrophobicContact CB-CB 4.02Å; A808-G860 WeakPolarHBondContact O-CA 3.42Å |
| 809 | A | 92.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 17.2 Ų | 17.2 | 44% | 0.438 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -66.1 | -32.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | I747 Q805 V806 V807 R811 | I747-A809 HydrophobicContact CD1-CB 3.73Å; Q805-A809 PolarHBondContact O-N 3.34Å; V806-A809 PolarHBondContact O-N 2.93Å; V807-A809 VanDerWaalsContact C-N 3.35Å; A809-R811 PolarHBondContact O-N 3.13Å |
| 810 | G | 90.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -87 | 60.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V806 V807 A808 A813 | V806-G810 PolarHBondContact O-N 2.82Å; V807-G810 PolarHBondContact O-N 3.06Å; A808-G810 VanDerWaalsContact C-N 3.34Å; A808-G810 PolarHBondContact O-N 2.98Å; G810-A813 WeakPolarHBondContact O-CB 3.47Å; G810-A813 PolarHBondContact O-N 2.96Å |
| 811 | R | 91.9 | Very high | 94.3 | Very high | 60 Ų | 60 | 17.2 Ų | 17.2 | 23% | 0.226 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 139.3 | -177.3 | -59.8 | 172.1 | -172.3 | 153.6 | 2.4 | 112.2 | A749 A809 E859 Q861 F903 F912 | A749-R811 WeakPolarHBondContact CB-O 3.27Å; A809-R811 PolarHBondContact O-N 3.13Å; R811-E859 VanDerWaalsContact CZ-O 3.3Å; R811-E859 PolarHBondContact NE-O 2.88Å; R811-E859 PolarHBondContact NH2-O 3.1Å; R811-Q861 VanDerWaalsContact NH1-CD 3.29Å; R811-F903 HydrophobicContact CB-CD1 4.31Å; R811-F903 HydrophobicContact CB-CE1 4.16Å; R811-F903 HydrophobicContact CG-CE1 4.41Å; R811-F912 HydrophobicContact CB-CB 4.18Å; R811-F912 WeakPolarHBondContact CB-O 3.26Å; R811-F912 VanDerWaalsContact CD-O 3.27Å; R811-F912 WeakPolarHBondContact CD-O 3.3Å; R811-F912 WeakPolarHBondContact O-CD2 3.25Å |
| 812 | P | 93.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 16.5 Ų | 16.5 | 12% | 0.117 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.8 | 27.4 | 2.6 | 38.7 | -37.1 | 0 | 0 | 0 | 114.3 | L814 C815 P900 F903 | P812-L814 PolarHBondContact O-N 3.05Å; P812-L814 VanDerWaalsContact O-N 3.11Å; P812-C815 WeakPolarHBondContact O-CB 3.25Å; P812-C815 PolarHBondContact O-N 3.12Å; P812-C815 VanDerWaalsContact O-N 3.11Å; P812-C815 PolarHBondContact O-SG 3.35Å; P812-C815 VanDerWaalsContact O-SG 3.4Å; P812-P900 HydrophobicContact CG-CB 4.21Å; P812-F903 HydrophobicContact CB-CB 4.1Å; P812-F903 HydrophobicContact CB-CD1 3.97Å; P812-F903 HydrophobicContact CB-CD2 3.58Å; P812-F903 HydrophobicContact CB-CE1 4.25Å; P812-F903 HydrophobicContact CB-CE2 3.91Å; P812-F903 HydrophobicContact CB-CG 3.62Å; P812-F903 HydrophobicContact CB-CZ 4.23Å |
| 813 | A | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -57.7 | -31.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A752 K753 A756 V807 G810 C815 Y816 | A752-A813 VanDerWaalsContact C-CB 3.46Å; A752-A813 HydrophobicContact CB-CB 3.52Å; K753-A813 HydrophobicContact CB-CB 4.41Å; A756-A813 HydrophobicContact CB-CB 4.5Å; V807-A813 HydrophobicContact CG1-CB 3.91Å; G810-A813 WeakPolarHBondContact O-CB 3.47Å; G810-A813 PolarHBondContact O-N 2.96Å; A813-C815 PolarHBondContact O-N 2.94Å; A813-C815 VanDerWaalsContact O-N 3.13Å; A813-Y816 WeakPolarHBondContact O-CB 3.11Å; A813-Y816 WeakPolarHBondContact O-CD2 3.39Å; A813-Y816 PolarHBondContact O-N 3.44Å |
| 814 | L | 95.7 | Very high | 94 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -59.8 | -24.5 | 179.8 | -166.1 | 66.2 | 0 | 0 | 0 | 113.6 | L804 V807 A808 P812 Y816 C817 L821 C856 L862 | L804-L814 HydrophobicContact CD2-CD1 4.39Å; V807-L814 HydrophobicContact CG1-CB 4.19Å; V807-L814 HydrophobicContact CG1-CD1 3.99Å; A808-L814 HydrophobicContact CB-CD1 4.49Å; A808-L814 HydrophobicContact CB-CD2 4.04Å; P812-L814 PolarHBondContact O-N 3.05Å; P812-L814 VanDerWaalsContact O-N 3.11Å; L814-Y816 PolarHBondContact O-N 2.78Å; L814-C817 HydrophobicContact CD1-CB 4.28Å; L814-C817 PolarHBondContact O-N 3.29Å; L814-L821 HydrophobicContact CD1-CD1 4.13Å; L814-L821 HydrophobicContact CD1-CD2 4.44Å; L814-L821 HydrophobicContact CD2-CD1 4.37Å; L814-L821 HydrophobicContact CG-CD1 3.94Å; L814-C856 WeakPolarHBondContact CD2-O 3.43Å; L814-L862 HydrophobicContact CD2-CD1 3.77Å; L814-L862 HydrophobicContact CD2-CG 4.12Å; L814-L862 HydrophobicContact CG-CD1 3.99Å |
| 815 | C | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -55 | -38.2 | 172 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | L772 P812 A813 C817 S818 P898 P900 | L772-C815 WeakPolarHBondContact CD2-O 3.31Å; P812-C815 WeakPolarHBondContact O-CB 3.25Å; P812-C815 PolarHBondContact O-N 3.12Å; P812-C815 VanDerWaalsContact O-N 3.11Å; P812-C815 PolarHBondContact O-SG 3.35Å; P812-C815 VanDerWaalsContact O-SG 3.4Å; A813-C815 PolarHBondContact O-N 2.94Å; A813-C815 VanDerWaalsContact O-N 3.13Å; C815-C817 PolarHBondContact O-N 2.99Å; C815-S818 VanDerWaalsContact O-CB 3.28Å; C815-S818 WeakPolarHBondContact O-CB 3.49Å; C815-S818 PolarHBondContact O-N 3.34Å; C815-P898 HydrophobicContact CB-CB 4.49Å; C815-P898 VanDerWaalsContact CB-O 3.28Å; C815-P898 WeakPolarHBondContact CB-O 3.48Å; C815-P898 PolarHBondContact SG-O 3.36Å; C815-P898 VanDerWaalsContact SG-O 3.41Å; C815-P900 HydrophobicContact CB-CG 4.03Å |
| 816 | Y | 93.8 | Very high | 94.1 | Very high | 77 Ų | 77 | 12.3 Ų | 12.3 | 30% | 0.302 | 7% | 0.067 | S | C | . | . | G | 310 helix | trans | -72.2 | -15.3 | 179.9 | -59.9 | -73.1 | 0 | 0 | 0 | 113.3 | K753 V760 A813 L814 S818 P900 | K753-Y816 HydrophobicContact CB-CD2 4.31Å; K753-Y816 HydrophobicContact CB-CE2 4.35Å; K753-Y816 HydrophobicContact CD-CD2 4.23Å; K753-Y816 HydrophobicContact CD-CE2 3.67Å; K753-Y816 HydrophobicContact CG-CD2 3.77Å; K753-Y816 HydrophobicContact CG-CE2 3.75Å; K753-Y816 HydrophobicContact CG-CG 4.42Å; V760-Y816 WeakPolarHBondContact CG2-O 3.48Å; A813-Y816 WeakPolarHBondContact O-CB 3.11Å; A813-Y816 WeakPolarHBondContact O-CD2 3.39Å; A813-Y816 PolarHBondContact O-N 3.44Å; L814-Y816 PolarHBondContact O-N 2.78Å; Y816-S818 VanDerWaalsContact C-N 3.31Å; Y816-P900 HydrophobicContact CE1-CG 4.36Å; Y816-P900 HydrophobicContact CE2-CG 4.36Å |
| 817 | C | 94.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.007 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -88 | 9.1 | 172.2 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | A756 V760 L804 L814 C815 A819 V820 L821 | A756-C817 VanDerWaalsContact CA-SG 3.54Å; A756-C817 WeakPolarHBondContact CB-SG 3.49Å; V760-C817 HydrophobicContact CG2-CB 4.5Å; L804-C817 HydrophobicContact CD2-CB 4.25Å; L814-C817 HydrophobicContact CD1-CB 4.28Å; L814-C817 PolarHBondContact O-N 3.29Å; C815-C817 PolarHBondContact O-N 2.99Å; C817-A819 PolarHBondContact O-N 3.29Å; C817-A819 VanDerWaalsContact O-N 3.1Å; C817-V820 WeakPolarHBondContact O-CB 3.36Å; C817-V820 PolarHBondContact O-N 3.16Å; C817-L821 HydrophobicContact CB-CG 4.43Å; C817-L821 WeakPolarHBondContact O-CG 3.48Å; C817-L821 PolarHBondContact O-N 2.79Å |
| 818 | S | 93.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -48.7 | -42 | -175.3 | -176.5 | 0 | 0 | 0 | 0 | 113.5 | W774 C815 Y816 V820 L821 R822 | W774-S818 PolarHBondContact NE1-OG 3.01Å; C815-S818 VanDerWaalsContact O-CB 3.28Å; C815-S818 WeakPolarHBondContact O-CB 3.49Å; C815-S818 PolarHBondContact O-N 3.34Å; Y816-S818 VanDerWaalsContact C-N 3.31Å; S818-V820 PolarHBondContact O-N 3.41Å; S818-L821 PolarHBondContact O-N 2.85Å; S818-R822 WeakPolarHBondContact O-CB 3.32Å; S818-R822 PolarHBondContact O-N 3.18Å |
| 819 | A | 92.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 12.3 Ų | 12.3 | 8% | 0.083 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C817 R822 G823 | C817-A819 PolarHBondContact O-N 3.29Å; C817-A819 VanDerWaalsContact O-N 3.1Å; A819-R822 VanDerWaalsContact CA-NH2 3.34Å; A819-G823 PolarHBondContact O-N 3.45Å |
| 820 | V | 94.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.018 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -70.9 | -46.8 | 178.4 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | V760 V763 I790 F794 C817 S818 R822 G823 L824 | V760-V820 HydrophobicContact CB-CG2 4.39Å; V760-V820 HydrophobicContact CG2-CG2 3.87Å; V763-V820 HydrophobicContact CB-CG2 4.46Å; V763-V820 HydrophobicContact CG1-CG1 4.34Å; V763-V820 HydrophobicContact CG1-CG2 4.42Å; I790-V820 HydrophobicContact CG2-CG1 4.16Å; F794-V820 HydrophobicContact CE2-CG1 3.45Å; F794-V820 VanDerWaalsContact CE2-CG1 3.45Å; F794-V820 HydrophobicContact CZ-CG1 3.64Å; C817-V820 WeakPolarHBondContact O-CB 3.36Å; C817-V820 PolarHBondContact O-N 3.16Å; S818-V820 PolarHBondContact O-N 3.41Å; V820-R822 VanDerWaalsContact C-N 3.35Å; V820-R822 PolarHBondContact O-N 3.32Å; V820-G823 PolarHBondContact O-N 2.82Å; V820-L824 WeakPolarHBondContact O-CB 3.41Å; V820-L824 PolarHBondContact O-N 2.85Å |
| 821 | L | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 179.1 | -61.1 | 175 | 0 | 0 | 0 | 111.6 | W774 L804 L814 C817 S818 L825 L853 M857 L862 | W774-L821 HydrophobicContact CZ2-CB 4.16Å; L804-L821 HydrophobicContact CD1-CD2 4.25Å; L814-L821 HydrophobicContact CD1-CD1 4.13Å; L814-L821 HydrophobicContact CD1-CD2 4.44Å; L814-L821 HydrophobicContact CD2-CD1 4.37Å; L814-L821 HydrophobicContact CG-CD1 3.94Å; C817-L821 HydrophobicContact CB-CG 4.43Å; C817-L821 WeakPolarHBondContact O-CG 3.48Å; C817-L821 PolarHBondContact O-N 2.79Å; S818-L821 PolarHBondContact O-N 2.85Å; L821-L825 WeakPolarHBondContact O-CB 3.35Å; L821-L825 PolarHBondContact O-N 3.23Å; L821-L853 HydrophobicContact CB-CD1 4.31Å; L821-L853 HydrophobicContact CD2-CD1 3.46Å; L821-L853 VanDerWaalsContact CD2-CD1 3.46Å; L821-L853 HydrophobicContact CG-CD1 4.48Å; L821-M857 HydrophobicContact CD1-CG 4.26Å; L821-M857 HydrophobicContact CD2-CG 4.44Å; L821-L862 HydrophobicContact CD1-CD1 3.9Å |
| 822 | R | 93.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 12.9 Ų | 12.9 | 3% | 0.026 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 177.5 | 172.7 | 168.5 | 36.3 | 60.9 | -9 | 112.1 | N769 W774 R786 S818 A819 V820 L825 A826 W890 | N769-R822 PolarHBondContact O-NH2 2.91Å; W774-R822 HydrophobicContact CD2-CB 4.43Å; W774-R822 HydrophobicContact CE3-CB 4.49Å; W774-R822 HydrophobicContact CH2-CB 3.99Å; W774-R822 HydrophobicContact CZ2-CB 3.9Å; W774-R822 HydrophobicContact CZ3-CB 4.26Å; R786-R822 VanDerWaalsContact CZ-NH1 3.34Å; S818-R822 WeakPolarHBondContact O-CB 3.32Å; S818-R822 PolarHBondContact O-N 3.18Å; A819-R822 VanDerWaalsContact CA-NH2 3.34Å; V820-R822 VanDerWaalsContact C-N 3.35Å; V820-R822 PolarHBondContact O-N 3.32Å; R822-L825 PolarHBondContact O-N 3.24Å; R822-A826 WeakPolarHBondContact O-CB 3.16Å; R822-A826 PolarHBondContact O-N 3.11Å; R822-W890 HydrophobicContact CG-CH2 3.58Å; R822-W890 HydrophobicContact CG-CZ2 4.32Å; R822-W890 HydrophobicContact CG-CZ3 4.06Å |
| 823 | G | 93.2 | Very high | 95 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | D787 A819 V820 A826 T827 | D787-G823 VanDerWaalsContact OD1-CA 3.26Å; D787-G823 WeakPolarHBondContact OD1-CA 3.48Å; A819-G823 PolarHBondContact O-N 3.45Å; V820-G823 PolarHBondContact O-N 2.82Å; G823-A826 PolarHBondContact O-N 3Å; G823-T827 WeakPolarHBondContact O-CG2 3.28Å; G823-T827 PolarHBondContact O-N 3.45Å; G823-T827 VanDerWaalsContact O-N 3.14Å |
| 824 | L | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | 175.9 | -170.7 | 60.8 | 0 | 0 | 0 | 111.4 | I790 R791 F794 F801 V820 A826 T827 L828 W845 L853 | I790-L824 HydrophobicContact CG2-CB 4.43Å; R791-L824 HydrophobicContact CB-CD1 4.49Å; R791-L824 HydrophobicContact CG-CD1 4.33Å; F794-L824 HydrophobicContact CD1-CD2 4.21Å; F794-L824 HydrophobicContact CD2-CD1 4.47Å; F794-L824 HydrophobicContact CD2-CD2 4.49Å; F794-L824 HydrophobicContact CE1-CD2 4.25Å; F794-L824 HydrophobicContact CG-CD1 4.43Å; F794-L824 HydrophobicContact CG-CD2 4.34Å; F794-L824 HydrophobicContact CZ-CD2 4.43Å; F801-L824 HydrophobicContact CE1-CD2 4.11Å; F801-L824 HydrophobicContact CZ-CD2 4.29Å; V820-L824 WeakPolarHBondContact O-CB 3.41Å; V820-L824 PolarHBondContact O-N 2.85Å; L824-A826 PolarHBondContact O-N 3.32Å; L824-T827 PolarHBondContact O-N 3.37Å; L824-T827 PolarHBondContact O-OG1 3.05Å; L824-L828 HydrophobicContact CG-CD1 4.27Å; L824-L828 WeakPolarHBondContact O-CG 3.38Å; L824-L828 PolarHBondContact O-N 3.26Å; L824-W845 HydrophobicContact CD1-CH2 4.48Å; L824-L853 HydrophobicContact CB-CD2 4.35Å; L824-L853 HydrophobicContact CD2-CD1 4.33Å; L824-L853 HydrophobicContact CD2-CD2 4.25Å; L824-L853 HydrophobicContact CG-CD2 4.17Å |
| 825 | L | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 178.5 | -170.7 | 52.9 | 0 | 0 | 0 | 112.5 | W774 L821 R822 T827 L828 L829 L853 L886 V889 W890 | W774-L825 HydrophobicContact CH2-CD2 4.05Å; W774-L825 HydrophobicContact CZ3-CD2 3.86Å; L821-L825 WeakPolarHBondContact O-CB 3.35Å; L821-L825 PolarHBondContact O-N 3.23Å; R822-L825 PolarHBondContact O-N 3.24Å; L825-T827 VanDerWaalsContact C-N 3.35Å; L825-T827 PolarHBondContact O-N 3.05Å; L825-L828 PolarHBondContact O-N 3.17Å; L825-L829 HydrophobicContact CD1-CG 4.48Å; L825-L829 HydrophobicContact CG-CD1 4.26Å; L825-L829 WeakPolarHBondContact O-CB 3.13Å; L825-L829 WeakPolarHBondContact O-CG 3.37Å; L825-L829 PolarHBondContact O-N 3.02Å; L825-L853 HydrophobicContact CB-CD2 3.9Å; L825-L853 HydrophobicContact CD1-CD2 4.1Å; L825-L886 HydrophobicContact CD1-CB 4.01Å; L825-L886 HydrophobicContact CD1-CD1 4.27Å; L825-L886 HydrophobicContact CD1-CD2 3.82Å; L825-L886 HydrophobicContact CD1-CG 4.24Å; L825-V889 HydrophobicContact CD2-CG1 4.25Å; L825-W890 HydrophobicContact CB-CE3 4.19Å; L825-W890 HydrophobicContact CB-CZ3 4.21Å; L825-W890 HydrophobicContact CD2-CB 4.32Å; L825-W890 HydrophobicContact CD2-CE3 3.81Å; L825-W890 HydrophobicContact CG-CE3 3.85Å; L825-W890 HydrophobicContact CG-CZ3 4.35Å |
| 826 | A | 95.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A780 D787 R822 G823 L824 L829 S830 W890 | A780-A826 HydrophobicContact CB-CB 3.87Å; D787-A826 HydrophobicContact CB-CB 4.42Å; R822-A826 WeakPolarHBondContact O-CB 3.16Å; R822-A826 PolarHBondContact O-N 3.11Å; G823-A826 PolarHBondContact O-N 3Å; L824-A826 PolarHBondContact O-N 3.32Å; A826-L829 PolarHBondContact O-N 3.18Å; A826-S830 PolarHBondContact O-N 3.13Å; A826-W890 HydrophobicContact CB-CH2 4.11Å; A826-W890 HydrophobicContact CB-CZ3 3.94Å |
| 827 | T | 96 | Very high | 94.8 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.2 | -33.6 | 177.2 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | D787 I788 R791 G823 L824 L825 H831 | D787-T827 HydrophobicContact CB-CG2 3.74Å; D787-T827 WeakPolarHBondContact O-CG2 3.41Å; I788-T827 HydrophobicContact CG1-CG2 4.43Å; R791-T827 HydrophobicContact CB-CG2 4.01Å; G823-T827 WeakPolarHBondContact O-CG2 3.28Å; G823-T827 PolarHBondContact O-N 3.45Å; G823-T827 VanDerWaalsContact O-N 3.14Å; L824-T827 PolarHBondContact O-N 3.37Å; L824-T827 PolarHBondContact O-OG1 3.05Å; L825-T827 VanDerWaalsContact C-N 3.35Å; L825-T827 PolarHBondContact O-N 3.05Å; T827-H831 WeakPolarHBondContact O-CB 3.31Å; T827-H831 PolarHBondContact O-N 2.64Å |
| 828 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -44 | 174.6 | -68.4 | 171.2 | 0 | 0 | 0 | 110.8 | L824 L825 S830 H831 W832 H846 A849 L853 L886 | L824-L828 HydrophobicContact CG-CD1 4.27Å; L824-L828 WeakPolarHBondContact O-CG 3.38Å; L824-L828 PolarHBondContact O-N 3.26Å; L825-L828 PolarHBondContact O-N 3.17Å; L828-S830 VanDerWaalsContact C-N 3.32Å; L828-S830 PolarHBondContact O-N 3.45Å; L828-H831 PolarHBondContact O-N 2.97Å; L828-W832 PolarHBondContact O-N 2.96Å; L828-H846 HydrophobicContact CD2-CB 4.34Å; L828-A849 HydrophobicContact CD2-CB 4.19Å; L828-L853 HydrophobicContact CD1-CD2 3.84Å; L828-L886 HydrophobicContact CB-CD1 4.28Å |
| 829 | L | 96.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -45.6 | 174.1 | -78.7 | 169.7 | 0 | 0 | 0 | 111.9 | L825 A826 E833 R883 L886 L887 W890 | L825-L829 HydrophobicContact CD1-CG 4.48Å; L825-L829 HydrophobicContact CG-CD1 4.26Å; L825-L829 WeakPolarHBondContact O-CB 3.13Å; L825-L829 WeakPolarHBondContact O-CG 3.37Å; L825-L829 PolarHBondContact O-N 3.02Å; A826-L829 PolarHBondContact O-N 3.18Å; L829-E833 WeakPolarHBondContact O-CB 3.49Å; L829-E833 PolarHBondContact O-N 3.22Å; L829-R883 HydrophobicContact CD2-CG 4.13Å; L829-R883 PolarHBondContact O-NH1 2.95Å; L829-R883 VanDerWaalsContact O-NH1 3.08Å; L829-L886 HydrophobicContact CD2-CB 3.66Å; L829-L886 HydrophobicContact CG-CB 4.33Å; L829-L887 HydrophobicContact CD2-CB 4.17Å; L829-W890 HydrophobicContact CD1-CB 4.45Å; L829-W890 HydrophobicContact CD1-CD2 4.27Å; L829-W890 HydrophobicContact CD1-CE3 3.75Å; L829-W890 HydrophobicContact CD1-CZ3 4.37Å |
| 830 | S | 95.4 | Very high | 94.4 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 52% | 0.524 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | A826 L828 E833 G834 | A826-S830 PolarHBondContact O-N 3.13Å; L828-S830 VanDerWaalsContact C-N 3.32Å; L828-S830 PolarHBondContact O-N 3.45Å; S830-E833 PolarHBondContact O-N 2.94Å; S830-G834 PolarHBondContact O-N 3.49Å; S830-G834 VanDerWaalsContact O-N 3.1Å |
| 831 | H | 95.8 | Very high | 94.4 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 22% | 0.222 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | 175.5 | 176.6 | 77.5 | 0 | 0 | 0 | 111.7 | T827 L828 E833 G834 S835 H846 | T827-H831 WeakPolarHBondContact O-CB 3.31Å; T827-H831 PolarHBondContact O-N 2.64Å; L828-H831 PolarHBondContact O-N 2.97Å; H831-E833 VanDerWaalsContact C-N 3.29Å; H831-E833 PolarHBondContact O-N 2.88Å; H831-G834 CarbonylContact O-C 3.44Å; H831-G834 PolarHBondContact O-N 3.42Å; H831-S835 WeakPolarHBondContact O-CB 3.5Å; H831-S835 PolarHBondContact O-N 2.83Å; H831-H846 AromaticContact CD2-CD2 3.35Å; H831-H846 PolarHBondContact CD2-CD2 3.14Å; H831-H846 AromaticContact CD2-CG 3.39Å; H831-H846 AromaticContact CD2-ND1 4Å; H831-H846 AromaticContact CD2-NE2 3.97Å; H831-H846 AromaticContact CE1-CD2 3.78Å; H831-H846 AromaticContact CE1-CE1 3.49Å; H831-H846 PolarHBondContact CE1-CE1 2.96Å; H831-H846 VanDerWaalsContact CE1-CE1 3.49Å; H831-H846 AromaticContact CE1-CG 3.74Å; H831-H846 AromaticContact CE1-ND1 3.54Å; H831-H846 AromaticContact CE1-NE2 3.64Å; H831-H846 AromaticContact CG-CD2 3.27Å; H831-H846 AromaticContact CG-CG 3.8Å; H831-H846 AromaticContact CG-NE2 3.56Å; H831-H846 AromaticContact ND1-CD2 3.56Å; H831-H846 AromaticContact ND1-CE1 3.66Å; H831-H846 AromaticContact ND1-CG 4Å; H831-H846 AromaticContact ND1-NE2 3.34Å; H831-H846 PolarHBondContact ND1-NE2 3.37Å; H831-H846 AromaticContact NE2-CD2 3.68Å; H831-H846 AromaticContact NE2-CE1 3.89Å; H831-H846 AromaticContact NE2-CG 3.36Å; H831-H846 AromaticContact NE2-ND1 3.5Å; H831-H846 PolarHBondContact NE2-ND1 3.16Å |
| 832 | W | 96.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -27.3 | -178.8 | -67.8 | 123.6 | 0 | 0 | 0 | 113 | L828 S843 H846 L847 S850 P879 V882 R883 | L828-W832 PolarHBondContact O-N 2.96Å; W832-S843 WeakPolarHBondContact CH2-OG 3.48Å; W832-S843 WeakPolarHBondContact CZ3-OG 3.41Å; W832-H846 HydrophobicContact CH2-CB 4.36Å; W832-H846 HydrophobicContact CZ2-CB 3.93Å; W832-L847 HydrophobicContact CH2-CB 4.34Å; W832-L847 HydrophobicContact CZ2-CB 4.34Å; W832-S850 PolarHBondContact NE1-OG 3.2Å; W832-P879 HydrophobicContact CE3-CB 3.76Å; W832-P879 HydrophobicContact CE3-CG 4.26Å; W832-P879 HydrophobicContact CZ3-CB 4.24Å; W832-P879 HydrophobicContact CZ3-CG 4.23Å; W832-V882 HydrophobicContact CD2-CB 4.37Å; W832-V882 HydrophobicContact CD2-CG1 4.1Å; W832-V882 HydrophobicContact CG-CB 4.48Å; W832-V882 HydrophobicContact CG-CG1 4.14Å; W832-V882 HydrophobicContact CZ2-CG1 4.32Å; W832-R883 HydrophobicContact CB-CB 3.9Å |
| 833 | E | 94.8 | Very high | 94.3 | Very high | 106 Ų | 106 | 46 Ų | 46 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 170 | -163.3 | 172.5 | -171.1 | 0 | 0 | 112.8 | L829 S830 H831 R883 | L829-E833 WeakPolarHBondContact O-CB 3.49Å; L829-E833 PolarHBondContact O-N 3.22Å; S830-E833 PolarHBondContact O-N 2.94Å; H831-E833 VanDerWaalsContact C-N 3.29Å; H831-E833 PolarHBondContact O-N 2.88Å; E833-R883 IonicContact OE1-CZ 3.64Å; E833-R883 IonicContact OE1-NH1 3.61Å; E833-R883 IonicContact OE1-NH2 3.52Å; E833-R883 IonicContact OE2-CZ 2.77Å; E833-R883 VanDerWaalsContact OE2-CZ 3.25Å; E833-R883 IonicContact OE2-NH1 3.6Å; E833-R883 PolarHBondContact OE2-NH1 3.37Å; E833-R883 IonicContact OE2-NH2 3.49Å; E833-R883 PolarHBondContact OE2-NH2 3.4Å |
| 834 | G | 93.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 50.3 Ų | 50.3 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -88.2 | -1.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S830 H831 | S830-G834 PolarHBondContact O-N 3.49Å; S830-G834 VanDerWaalsContact O-N 3.1Å; H831-G834 CarbonylContact O-C 3.44Å; H831-G834 PolarHBondContact O-N 3.42Å |
| 835 | S | 95 | Very high | 94.3 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | trans | -74.5 | 131.3 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | H831 E837 | H831-S835 WeakPolarHBondContact O-CB 3.5Å; H831-S835 PolarHBondContact O-N 2.83Å; S835-E837 PolarHBondContact OG-N 2.88Å | ||
| 836 | R | 94.4 | Very high | 94.2 | Very high | 238 Ų | 238 | 54.6 Ų | 54.6 | 90% | 0.898 | 31% | 0.306 | S | S | * | . | trans | -105 | 4.4 | 176.9 | -65 | 174.5 | -68.7 | -174 | -0.4 | 112.2 | ||||
| 837 | E | 92.1 | Very high | 94.3 | Very high | 108 Ų | 108 | 55.1 Ų | 55.1 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | trans | -71.3 | 153.4 | 179.1 | -59.1 | -58.5 | 159.4 | 0 | 0 | 111.1 | S835 D842 P879 | S835-E837 PolarHBondContact OG-N 2.88Å; E837-D842 HydrophobicContact CB-CB 3.9Å; E837-D842 HydrophobicContact CG-CB 3.92Å; E837-P879 WeakPolarHBondContact O-CG 3.46Å | ||
| 838 | A | 88.8 | Confident | 94.3 | Very high | 86 Ų | 86 | 60.3 Ų | 60.3 | 71% | 0.711 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -79.9 | -33.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 839 | S | 91.6 | Very high | 94.3 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -123.4 | 150.1 | -178.5 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | T841 D842 | S839-T841 WeakPolarHBondContact CB-OG1 3.47Å; S839-T841 PolarHBondContact O-N 2.68Å; S839-T841 PolarHBondContact OG-N 2.99Å; S839-T841 PolarHBondContact OG-OG1 3.4Å; S839-D842 WeakPolarHBondContact CB-OD2 3.44Å; S839-D842 PolarHBondContact N-OD2 3.31Å; S839-D842 VanDerWaalsContact N-OD2 3.1Å; S839-D842 PolarHBondContact O-N 3.22Å |
| 840 | S | 92.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -63.2 | -26 | 171.2 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | D842 S843 F874 L877 | S840-D842 PolarHBondContact O-N 2.94Å; S840-S843 PolarHBondContact O-N 3.04Å; S840-S843 PolarHBondContact O-OG 3.02Å; S840-F874 WeakPolarHBondContact CB-O 3.3Å; S840-F874 PolarHBondContact OG-O 3.01Å; S840-L877 WeakPolarHBondContact CB-O 3.45Å; S840-L877 PolarHBondContact N-O 3.4Å; S840-L877 PolarHBondContact OG-O 3.1Å |
| 841 | T | 94.1 | Very high | 94.4 | Very high | 69 Ų | 69 | 58 Ų | 58 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -65.7 | -21.6 | 179.4 | 54.2 | 0 | 0 | 0 | 0 | 114 | S839 S843 L847 A875 | S839-T841 WeakPolarHBondContact CB-OG1 3.47Å; S839-T841 PolarHBondContact O-N 2.68Å; S839-T841 PolarHBondContact OG-N 2.99Å; S839-T841 PolarHBondContact OG-OG1 3.4Å; T841-S843 PolarHBondContact O-N 3.39Å; T841-L847 HydrophobicContact CG2-CD2 4.19Å; T841-A875 WeakPolarHBondContact CG2-O 3.16Å |
| 842 | D | 92.4 | Very high | 94.4 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -71.9 | -12.5 | -178.7 | -57.3 | -33.1 | 0 | 0 | 0 | 111.9 | E837 S839 S840 P844 | E837-D842 HydrophobicContact CB-CB 3.9Å; E837-D842 HydrophobicContact CG-CB 3.92Å; S839-D842 WeakPolarHBondContact CB-OD2 3.44Å; S839-D842 PolarHBondContact N-OD2 3.31Å; S839-D842 VanDerWaalsContact N-OD2 3.1Å; S839-D842 PolarHBondContact O-N 3.22Å; S840-D842 PolarHBondContact O-N 2.94Å; D842-P844 WeakPolarHBondContact O-CD 3.44Å |
| 843 | S | 93.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -121.9 | 70.7 | 175.1 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | W832 S840 T841 W845 H846 L847 | W832-S843 WeakPolarHBondContact CH2-OG 3.48Å; W832-S843 WeakPolarHBondContact CZ3-OG 3.41Å; S840-S843 PolarHBondContact O-N 3.04Å; S840-S843 PolarHBondContact O-OG 3.02Å; T841-S843 PolarHBondContact O-N 3.39Å; S843-W845 VanDerWaalsContact C-N 3.35Å; S843-W845 PolarHBondContact O-N 2.93Å; S843-H846 PolarHBondContact O-N 3.06Å; S843-H846 VanDerWaalsContact O-N 3.1Å; S843-L847 PolarHBondContact O-N 2.92Å |
| 844 | P | 93.8 | Very high | 94.5 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.7 | -38 | -164.5 | 22.6 | -34.4 | 0 | 0 | 0 | 113.9 | D842 Q848 | D842-P844 WeakPolarHBondContact O-CD 3.44Å; P844-Q848 VanDerWaalsContact O-CB 3.31Å; P844-Q848 WeakPolarHBondContact O-CB 3.23Å; P844-Q848 PolarHBondContact O-N 2.97Å |
| 845 | W | 94.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 24% | 0.239 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 177.5 | -176 | 90.8 | 0 | 0 | 0 | 112.3 | R791 F794 E795 L824 S843 Q848 A849 | R791-W845 HydrophobicContact CG-CH2 3.58Å; R791-W845 HydrophobicContact CG-CZ3 3.83Å; F794-W845 HydrophobicContact CB-CZ2 4.08Å; E795-W845 HydrophobicContact CB-CZ2 4.18Å; E795-W845 HydrophobicContact CG-CD2 4.02Å; E795-W845 HydrophobicContact CG-CE3 4.19Å; E795-W845 HydrophobicContact CG-CH2 3.55Å; E795-W845 HydrophobicContact CG-CZ2 3.31Å; E795-W845 HydrophobicContact CG-CZ3 3.98Å; L824-W845 HydrophobicContact CD1-CH2 4.48Å; S843-W845 VanDerWaalsContact C-N 3.35Å; S843-W845 PolarHBondContact O-N 2.93Å; W845-Q848 PolarHBondContact O-N 3.46Å; W845-A849 HydrophobicContact CE3-CB 4.35Å; W845-A849 HydrophobicContact CH2-CB 4.14Å; W845-A849 HydrophobicContact CZ2-CB 4.33Å; W845-A849 HydrophobicContact CZ3-CB 4.17Å; W845-A849 VanDerWaalsContact O-CB 3.23Å; W845-A849 WeakPolarHBondContact O-CB 3.31Å; W845-A849 PolarHBondContact O-N 3.07Å |
| 846 | H | 95.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 50 Ų | 50 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | -179.6 | -66.8 | 87.2 | 0 | 0 | 0 | 111.3 | L828 H831 W832 S843 S850 | L828-H846 HydrophobicContact CD2-CB 4.34Å; H831-H846 AromaticContact CD2-CD2 3.35Å; H831-H846 PolarHBondContact CD2-CD2 3.14Å; H831-H846 AromaticContact CD2-CG 3.39Å; H831-H846 AromaticContact CD2-ND1 4Å; H831-H846 AromaticContact CD2-NE2 3.97Å; H831-H846 AromaticContact CE1-CD2 3.78Å; H831-H846 AromaticContact CE1-CE1 3.49Å; H831-H846 PolarHBondContact CE1-CE1 2.96Å; H831-H846 VanDerWaalsContact CE1-CE1 3.49Å; H831-H846 AromaticContact CE1-CG 3.74Å; H831-H846 AromaticContact CE1-ND1 3.54Å; H831-H846 AromaticContact CE1-NE2 3.64Å; H831-H846 AromaticContact CG-CD2 3.27Å; H831-H846 AromaticContact CG-CG 3.8Å; H831-H846 AromaticContact CG-NE2 3.56Å; H831-H846 AromaticContact ND1-CD2 3.56Å; H831-H846 AromaticContact ND1-CE1 3.66Å; H831-H846 AromaticContact ND1-CG 4Å; H831-H846 AromaticContact ND1-NE2 3.34Å; H831-H846 PolarHBondContact ND1-NE2 3.37Å; H831-H846 AromaticContact NE2-CD2 3.68Å; H831-H846 AromaticContact NE2-CE1 3.89Å; H831-H846 AromaticContact NE2-CG 3.36Å; H831-H846 AromaticContact NE2-ND1 3.5Å; H831-H846 PolarHBondContact NE2-ND1 3.16Å; W832-H846 HydrophobicContact CH2-CB 4.36Å; W832-H846 HydrophobicContact CZ2-CB 3.93Å; S843-H846 PolarHBondContact O-N 3.06Å; S843-H846 VanDerWaalsContact O-N 3.1Å; H846-S850 WeakPolarHBondContact O-CB 3.36Å; H846-S850 PolarHBondContact O-N 3.38Å; H846-S850 PolarHBondContact O-OG 2.92Å |
| 847 | L | 96.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -52.9 | 172.2 | 176.3 | 59.4 | 0 | 0 | 0 | 111 | W832 T841 S843 A849 S850 C851 F874 A875 | W832-L847 HydrophobicContact CH2-CB 4.34Å; W832-L847 HydrophobicContact CZ2-CB 4.34Å; T841-L847 HydrophobicContact CG2-CD2 4.19Å; S843-L847 PolarHBondContact O-N 2.92Å; L847-A849 PolarHBondContact O-N 3.26Å; L847-S850 WeakPolarHBondContact O-CB 3.5Å; L847-S850 PolarHBondContact O-N 3.41Å; L847-C851 PolarHBondContact O-N 3.41Å; L847-C851 PolarHBondContact O-SG 3.44Å; L847-C851 VanDerWaalsContact O-SG 3.34Å; L847-F874 HydrophobicContact CD1-CB 3.51Å; L847-A875 HydrophobicContact CD2-CB 4.22Å |
| 848 | Q | 96.1 | Very high | 94.8 | Very high | 118 Ų | 118 | 34.2 Ų | 34.2 | 55% | 0.551 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -59.7 | -44.9 | 178.8 | -174.7 | -179.7 | 9 | 0 | 0 | 112 | P844 W845 S850 C851 L852 | P844-Q848 VanDerWaalsContact O-CB 3.31Å; P844-Q848 WeakPolarHBondContact O-CB 3.23Å; P844-Q848 PolarHBondContact O-N 2.97Å; W845-Q848 PolarHBondContact O-N 3.46Å; Q848-S850 VanDerWaalsContact C-N 3.35Å; Q848-S850 PolarHBondContact O-N 2.9Å; Q848-C851 PolarHBondContact O-N 3.35Å; Q848-L852 HydrophobicContact CG-CD1 3.84Å; Q848-L852 HydrophobicContact CG-CG 4.29Å; Q848-L852 WeakPolarHBondContact O-CB 3.06Å; Q848-L852 VanDerWaalsContact O-CG 3.31Å; Q848-L852 WeakPolarHBondContact O-CG 3.23Å; Q848-L852 PolarHBondContact O-N 3.44Å |
| 849 | A | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F801 L828 W845 L847 L853 | F801-A849 HydrophobicContact CE1-CB 4.39Å; F801-A849 HydrophobicContact CZ-CB 3.68Å; L828-A849 HydrophobicContact CD2-CB 4.19Å; W845-A849 HydrophobicContact CE3-CB 4.35Å; W845-A849 HydrophobicContact CH2-CB 4.14Å; W845-A849 HydrophobicContact CZ2-CB 4.33Å; W845-A849 HydrophobicContact CZ3-CB 4.17Å; W845-A849 VanDerWaalsContact O-CB 3.23Å; W845-A849 WeakPolarHBondContact O-CB 3.31Å; W845-A849 PolarHBondContact O-N 3.07Å; L847-A849 PolarHBondContact O-N 3.26Å; A849-L853 WeakPolarHBondContact O-CB 3.38Å; A849-L853 PolarHBondContact O-N 2.95Å |
| 850 | S | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 175.5 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | W832 H846 L847 Q848 V854 | W832-S850 PolarHBondContact NE1-OG 3.2Å; H846-S850 WeakPolarHBondContact O-CB 3.36Å; H846-S850 PolarHBondContact O-N 3.38Å; H846-S850 PolarHBondContact O-OG 2.92Å; L847-S850 WeakPolarHBondContact O-CB 3.5Å; L847-S850 PolarHBondContact O-N 3.41Å; Q848-S850 VanDerWaalsContact C-N 3.35Å; Q848-S850 PolarHBondContact O-N 2.9Å; S850-V854 WeakPolarHBondContact O-CG2 3.35Å; S850-V854 PolarHBondContact O-N 2.9Å |
| 851 | C | 96.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.6 | -49.1 | 177.9 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | L847 Q848 L853 V854 S855 H871 | L847-C851 PolarHBondContact O-N 3.41Å; L847-C851 PolarHBondContact O-SG 3.44Å; L847-C851 VanDerWaalsContact O-SG 3.34Å; Q848-C851 PolarHBondContact O-N 3.35Å; C851-L853 VanDerWaalsContact C-N 3.33Å; C851-L853 PolarHBondContact O-N 3.33Å; C851-V854 PolarHBondContact O-N 3.01Å; C851-S855 VanDerWaalsContact O-CB 3.32Å; C851-S855 WeakPolarHBondContact O-CB 3.48Å; C851-S855 PolarHBondContact O-N 2.96Å; C851-H871 HydrophobicContact CB-CB 4.01Å; C851-H871 PolarHBondContact SG-O 3.25Å; C851-H871 VanDerWaalsContact SG-O 3.37Å |
| 852 | L | 96.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 30.6 Ų | 30.6 | 21% | 0.209 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | -179.1 | -71.2 | 174.2 | 0 | 0 | 0 | 112.1 | F801 Q848 C856 | F801-L852 HydrophobicContact CB-CD1 4.04Å; F801-L852 HydrophobicContact CD1-CB 3.66Å; F801-L852 HydrophobicContact CD1-CD1 3.8Å; F801-L852 HydrophobicContact CD1-CG 4.38Å; F801-L852 HydrophobicContact CD2-CD1 4.11Å; F801-L852 HydrophobicContact CE1-CB 3.87Å; F801-L852 HydrophobicContact CE1-CD1 4.24Å; F801-L852 HydrophobicContact CG-CB 4.43Å; F801-L852 HydrophobicContact CG-CD1 3.73Å; Q848-L852 HydrophobicContact CG-CD1 3.84Å; Q848-L852 HydrophobicContact CG-CG 4.29Å; Q848-L852 WeakPolarHBondContact O-CB 3.06Å; Q848-L852 VanDerWaalsContact O-CG 3.31Å; Q848-L852 WeakPolarHBondContact O-CG 3.23Å; Q848-L852 PolarHBondContact O-N 3.44Å; L852-C856 WeakPolarHBondContact O-CB 3.33Å; L852-C856 PolarHBondContact O-N 3.3Å |
| 853 | L | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -50.4 | 177.7 | 177 | 59 | 0 | 0 | 0 | 111.4 | L821 L824 L825 L828 A849 C851 C856 M857 | L821-L853 HydrophobicContact CB-CD1 4.31Å; L821-L853 HydrophobicContact CD2-CD1 3.46Å; L821-L853 VanDerWaalsContact CD2-CD1 3.46Å; L821-L853 HydrophobicContact CG-CD1 4.48Å; L824-L853 HydrophobicContact CB-CD2 4.35Å; L824-L853 HydrophobicContact CD2-CD1 4.33Å; L824-L853 HydrophobicContact CD2-CD2 4.25Å; L824-L853 HydrophobicContact CG-CD2 4.17Å; L825-L853 HydrophobicContact CB-CD2 3.9Å; L825-L853 HydrophobicContact CD1-CD2 4.1Å; L828-L853 HydrophobicContact CD1-CD2 3.84Å; A849-L853 WeakPolarHBondContact O-CB 3.38Å; A849-L853 PolarHBondContact O-N 2.95Å; C851-L853 VanDerWaalsContact C-N 3.33Å; C851-L853 PolarHBondContact O-N 3.33Å; L853-C856 PolarHBondContact O-N 3.05Å; L853-M857 HydrophobicContact CD1-CG 4.3Å; L853-M857 HydrophobicContact CD1-SD 3.93Å; L853-M857 HydrophobicContact CG-SD 4.02Å; L853-M857 VanDerWaalsContact O-CG 3.25Å; L853-M857 WeakPolarHBondContact O-CG 3.17Å; L853-M857 PolarHBondContact O-N 3.44Å |
| 854 | V | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.9 | -42.3 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | S850 C851 C856 M857 G858 L863 A868 V870 H871 F874 L886 | S850-V854 WeakPolarHBondContact O-CG2 3.35Å; S850-V854 PolarHBondContact O-N 2.9Å; C851-V854 PolarHBondContact O-N 3.01Å; V854-C856 PolarHBondContact O-N 2.93Å; V854-M857 PolarHBondContact O-N 3.46Å; V854-G858 PolarHBondContact O-N 3.43Å; V854-L863 HydrophobicContact CG1-CD1 4.04Å; V854-A868 WeakPolarHBondContact CG1-O 3.44Å; V854-V870 HydrophobicContact CG1-CG1 3.95Å; V854-H871 HydrophobicContact CB-CB 4.16Å; V854-H871 HydrophobicContact CG1-CB 4.25Å; V854-F874 HydrophobicContact CG2-CE2 4.1Å; V854-F874 HydrophobicContact CG2-CZ 4.22Å; V854-L886 HydrophobicContact CG2-CD2 3.78Å |
| 855 | S | 95.5 | Very high | 95.1 | Very high | 27 Ų | 27 | 26.2 Ų | 26.2 | 19% | 0.189 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -48.3 | 174.1 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | C851 M857 G858 E859 | C851-S855 VanDerWaalsContact O-CB 3.32Å; C851-S855 WeakPolarHBondContact O-CB 3.48Å; C851-S855 PolarHBondContact O-N 2.96Å; S855-M857 PolarHBondContact O-N 3.38Å; S855-G858 CarbonylContact O-C 3.47Å; S855-G858 WeakPolarHBondContact O-CA 3.4Å; S855-G858 PolarHBondContact O-N 2.81Å; S855-G858 VanDerWaalsContact O-N 3.1Å; S855-E859 WeakPolarHBondContact O-CG 3.45Å; S855-E859 PolarHBondContact O-N 3.41Å; S855-E859 PolarHBondContact OG-OE1 3.38Å |
| 856 | C | 95.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 177.8 | 177 | 0 | 0 | 0 | 0 | 112.2 | A808 L814 L852 L853 V854 G858 E859 G860 | A808-C856 WeakPolarHBondContact CB-O 3.47Å; L814-C856 WeakPolarHBondContact CD2-O 3.43Å; L852-C856 WeakPolarHBondContact O-CB 3.33Å; L852-C856 PolarHBondContact O-N 3.3Å; L853-C856 PolarHBondContact O-N 3.05Å; V854-C856 PolarHBondContact O-N 2.93Å; C856-G858 VanDerWaalsContact C-N 3.29Å; C856-G858 PolarHBondContact O-N 3.44Å; C856-E859 PolarHBondContact O-N 3.02Å; C856-G860 PolarHBondContact O-N 3.17Å |
| 857 | M | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.2 | -32.1 | 175.2 | -68.8 | 173.1 | 68.9 | 0 | 0 | 112.4 | W774 L821 L853 V854 S855 Q861 L862 L863 V889 V893 | W774-M857 HydrophobicContact CH2-CE 4.24Å; W774-M857 HydrophobicContact CZ2-CE 4.44Å; L821-M857 HydrophobicContact CD1-CG 4.26Å; L821-M857 HydrophobicContact CD2-CG 4.44Å; L853-M857 HydrophobicContact CD1-CG 4.3Å; L853-M857 HydrophobicContact CD1-SD 3.93Å; L853-M857 HydrophobicContact CG-SD 4.02Å; L853-M857 VanDerWaalsContact O-CG 3.25Å; L853-M857 WeakPolarHBondContact O-CG 3.17Å; L853-M857 PolarHBondContact O-N 3.44Å; V854-M857 PolarHBondContact O-N 3.46Å; S855-M857 PolarHBondContact O-N 3.38Å; M857-Q861 PolarHBondContact O-N 3.43Å; M857-L862 HydrophobicContact CB-CB 4.37Å; M857-L862 WeakPolarHBondContact O-CA 3.27Å; M857-L862 WeakPolarHBondContact O-CB 3.48Å; M857-L862 PolarHBondContact O-N 3.34Å; M857-L863 HydrophobicContact CB-CD1 3.68Å; M857-L863 HydrophobicContact CB-CG 3.91Å; M857-L863 HydrophobicContact CE-CD1 4.43Å; M857-L863 HydrophobicContact CE-CD2 4.32Å; M857-L863 HydrophobicContact CE-CG 4.43Å; M857-L863 PolarHBondContact O-N 3.42Å; M857-V889 HydrophobicContact CE-CG1 4.13Å; M857-V893 HydrophobicContact CE-CG2 3.6Å |
| 858 | G | 94.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 22 Ų | 22 | 16% | 0.155 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.8 | -50.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | V854 S855 C856 G860 Q861 | V854-G858 PolarHBondContact O-N 3.43Å; S855-G858 CarbonylContact O-C 3.47Å; S855-G858 WeakPolarHBondContact O-CA 3.4Å; S855-G858 PolarHBondContact O-N 2.81Å; S855-G858 VanDerWaalsContact O-N 3.1Å; C856-G858 VanDerWaalsContact C-N 3.29Å; C856-G858 PolarHBondContact O-N 3.44Å; G858-G860 VanDerWaalsContact C-N 3.28Å; G858-G860 PolarHBondContact O-N 3.35Å; G858-Q861 WeakPolarHBondContact O-CA 3.49Å; G858-Q861 PolarHBondContact O-N 2.96Å |
| 859 | E | 93.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 17.1 Ų | 17.1 | 34% | 0.336 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -57 | -41.3 | 177.1 | -75 | 169.1 | -145.6 | 0 | 0 | 111.9 | A808 R811 S855 C856 Q861 | A808-E859 HydrophobicContact CB-CB 4.02Å; R811-E859 VanDerWaalsContact CZ-O 3.3Å; R811-E859 PolarHBondContact NE-O 2.88Å; R811-E859 PolarHBondContact NH2-O 3.1Å; S855-E859 WeakPolarHBondContact O-CG 3.45Å; S855-E859 PolarHBondContact O-N 3.41Å; S855-E859 PolarHBondContact OG-OE1 3.38Å; C856-E859 PolarHBondContact O-N 3.02Å; E859-Q861 PolarHBondContact O-N 2.73Å |
| 860 | G | 93.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 3.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | A808 C856 G858 L862 F903 | A808-G860 WeakPolarHBondContact O-CA 3.42Å; C856-G860 PolarHBondContact O-N 3.17Å; G858-G860 VanDerWaalsContact C-N 3.28Å; G858-G860 PolarHBondContact O-N 3.35Å; G860-L862 PolarHBondContact O-N 3.43Å; G860-F903 WeakPolarHBondContact O-CZ 3.36Å |
| 861 | Q | 94.1 | Very high | 93.7 | Very high | 32 Ų | 32 | 18.9 Ų | 18.9 | 15% | 0.15 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 37.2 | -176.6 | -66.3 | -179.7 | -22.1 | 0 | 0 | 113.5 | R811 M857 G858 E859 F903 C913 R914 F916 | R811-Q861 VanDerWaalsContact NH1-CD 3.29Å; M857-Q861 PolarHBondContact O-N 3.43Å; G858-Q861 WeakPolarHBondContact O-CA 3.49Å; G858-Q861 PolarHBondContact O-N 2.96Å; E859-Q861 PolarHBondContact O-N 2.73Å; Q861-F903 HydrophobicContact CB-CE1 4.01Å; Q861-F903 HydrophobicContact CB-CZ 4.36Å; Q861-C913 VanDerWaalsContact OE1-CA 3.29Å; Q861-R914 HydrophobicContact CB-CB 4.12Å; Q861-R914 WeakPolarHBondContact O-CD 3.34Å; Q861-F916 HydrophobicContact CB-CE2 4.39Å; Q861-F916 HydrophobicContact CB-CZ 3.94Å; Q861-F916 HydrophobicContact CG-CE2 4.49Å; Q861-F916 HydrophobicContact CG-CZ 4.47Å; Q861-F916 WeakPolarHBondContact O-CZ 3.41Å |
| 862 | L | 94.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -84.7 | -24.2 | 166.3 | -55.7 | -172.4 | 0 | 0 | 0 | 111.3 | L814 L821 M857 G860 Y892 P898 F903 | L814-L862 HydrophobicContact CD2-CD1 3.77Å; L814-L862 HydrophobicContact CD2-CG 4.12Å; L814-L862 HydrophobicContact CG-CD1 3.99Å; L821-L862 HydrophobicContact CD1-CD1 3.9Å; M857-L862 HydrophobicContact CB-CB 4.37Å; M857-L862 WeakPolarHBondContact O-CA 3.27Å; M857-L862 WeakPolarHBondContact O-CB 3.48Å; M857-L862 PolarHBondContact O-N 3.34Å; G860-L862 PolarHBondContact O-N 3.43Å; L862-Y892 WeakPolarHBondContact O-CE1 3.41Å; L862-P898 HydrophobicContact CD1-CB 4.12Å; L862-P898 HydrophobicContact CD2-CB 3.67Å; L862-P898 HydrophobicContact CG-CB 4.46Å; L862-F903 HydrophobicContact CD2-CZ 4.27Å |
| 863 | L | 94.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -119.6 | 141.5 | 178.9 | -57.4 | 177.5 | 0 | 0 | 0 | 111 | V854 M857 L867 A868 V889 Y892 V893 F916 | V854-L863 HydrophobicContact CG1-CD1 4.04Å; M857-L863 HydrophobicContact CB-CD1 3.68Å; M857-L863 HydrophobicContact CB-CG 3.91Å; M857-L863 HydrophobicContact CE-CD1 4.43Å; M857-L863 HydrophobicContact CE-CD2 4.32Å; M857-L863 HydrophobicContact CE-CG 4.43Å; M857-L863 PolarHBondContact O-N 3.42Å; L863-L867 HydrophobicContact CB-CB 4.26Å; L863-A868 HydrophobicContact CB-CB 4.35Å; L863-V889 HydrophobicContact CD1-CG1 3.93Å; L863-V889 HydrophobicContact CD1-CG2 4.47Å; L863-V889 HydrophobicContact CD2-CG1 3.94Å; L863-Y892 HydrophobicContact CD2-CD1 3.78Å; L863-Y892 HydrophobicContact CD2-CE1 4.32Å; L863-V893 HydrophobicContact CD2-CG2 3.57Å; L863-F916 WeakPolarHBondContact O-CZ 3.43Å |
| 864 | P | 92.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 19 Ų | 19 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | trans | -68 | 156.7 | 170.2 | 29.7 | -34.3 | 0 | 0 | 0 | 109.8 | V866 L867 A868 Y892 F916 V922 | P864-V866 PolarHBondContact O-N 3.14Å; P864-V866 VanDerWaalsContact O-N 3.08Å; P864-L867 HydrophobicContact CG-CB 4.15Å; P864-L867 HydrophobicContact CG-CD1 3.96Å; P864-L867 HydrophobicContact CG-CG 3.93Å; P864-L867 PolarHBondContact O-N 2.89Å; P864-A868 PolarHBondContact O-N 2.76Å; P864-Y892 VanDerWaalsContact CD-CE1 3.44Å; P864-Y892 HydrophobicContact CG-CE1 4.39Å; P864-Y892 HydrophobicContact CG-CE2 4.04Å; P864-F916 HydrophobicContact CB-CD1 4.1Å; P864-F916 HydrophobicContact CB-CD2 4.46Å; P864-F916 HydrophobicContact CB-CE1 4.41Å; P864-F916 HydrophobicContact CB-CG 4.12Å; P864-V922 HydrophobicContact CG-CG1 4.06Å | ||
| 865 | P | 88.9 | Confident | 92.9 | Very high | 83 Ų | 83 | 20.9 Ų | 20.9 | 54% | 0.539 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -51.5 | -39.1 | -174.1 | -29.2 | 35.3 | 0 | 0 | 0 | 114.6 | L867 A868 N869 | P865-L867 PolarHBondContact O-N 2.89Å; P865-A868 PolarHBondContact O-N 2.78Å; P865-N869 PolarHBondContact O-N 3.31Å; P865-N869 PolarHBondContact O-ND2 3.22Å; P865-N869 VanDerWaalsContact O-ND2 3.09Å |
| 866 | V | 89.1 | Confident | 92.8 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 7% | 0.073 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | P864 V926 F947 Q948 L949 | P864-V866 PolarHBondContact O-N 3.14Å; P864-V866 VanDerWaalsContact O-N 3.08Å; V866-V926 HydrophobicContact CB-CG2 4.5Å; V866-V926 HydrophobicContact CG1-CB 4.45Å; V866-V926 HydrophobicContact CG1-CG1 3.66Å; V866-V926 HydrophobicContact CG1-CG2 3.83Å; V866-F947 HydrophobicContact CG1-CB 4.34Å; V866-F947 HydrophobicContact CG1-CD1 4.48Å; V866-Q948 WeakPolarHBondContact CG2-O 3Å; V866-L949 HydrophobicContact CG2-CD2 4.41Å |
| 867 | L | 90.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -79.3 | -32.2 | 176 | -64.9 | -173.8 | 0 | 0 | 0 | 111.9 | L863 P864 P865 V870 Y892 V926 I929 | L863-L867 HydrophobicContact CB-CB 4.26Å; P864-L867 HydrophobicContact CG-CB 4.15Å; P864-L867 HydrophobicContact CG-CD1 3.96Å; P864-L867 HydrophobicContact CG-CG 3.93Å; P864-L867 PolarHBondContact O-N 2.89Å; P865-L867 PolarHBondContact O-N 2.89Å; L867-V870 WeakPolarHBondContact O-CG1 3.4Å; L867-V870 PolarHBondContact O-N 3.3Å; L867-Y892 HydrophobicContact CD1-CD1 3.88Å; L867-Y892 HydrophobicContact CD1-CD2 3.5Å; L867-Y892 HydrophobicContact CD1-CE2 4.19Å; L867-Y892 HydrophobicContact CD1-CG 3.32Å; L867-V926 HydrophobicContact CD2-CG2 4.46Å; L867-I929 HydrophobicContact CD2-CD1 3.36Å |
| 868 | A | 91.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V854 L863 P864 P865 V870 H871 | V854-A868 WeakPolarHBondContact CG1-O 3.44Å; L863-A868 HydrophobicContact CB-CB 4.35Å; P864-A868 PolarHBondContact O-N 2.76Å; P865-A868 PolarHBondContact O-N 2.78Å; A868-V870 PolarHBondContact O-N 3.34Å; A868-V870 VanDerWaalsContact O-N 3.11Å; A868-H871 PolarHBondContact O-CD2 3.27Å; A868-H871 PolarHBondContact O-NE2 3.36Å |
| 869 | N | 91 | Very high | 92.7 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 9% | 0.086 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -71.8 | -6.9 | -176.1 | -61.3 | -28.3 | 0 | 0 | 0 | 113.9 | P865 H871 E872 R946 F947 | P865-N869 PolarHBondContact O-N 3.31Å; P865-N869 PolarHBondContact O-ND2 3.22Å; P865-N869 VanDerWaalsContact O-ND2 3.09Å; N869-H871 PolarHBondContact O-N 3.37Å; N869-H871 VanDerWaalsContact O-N 3.09Å; N869-E872 WeakPolarHBondContact O-CB 3.3Å; N869-E872 PolarHBondContact O-N 2.72Å; N869-R946 HydrophobicContact CB-CG 4.14Å; N869-R946 PolarHBondContact ND2-NE 3.35Å; N869-R946 PolarHBondContact ND2-NH1 3.13Å; N869-R946 PolarHBondContact ND2-NH2 2.78Å; N869-R946 PolarHBondContact OD1-NH2 2.93Å; N869-F947 HydrophobicContact CB-CD1 4.46Å; N869-F947 HydrophobicContact CB-CE1 3.79Å; N869-F947 HydrophobicContact CB-CZ 4.45Å |
| 870 | V | 92.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -62.2 | -24 | -173.7 | 79.4 | 0 | 0 | 0 | 0 | 112.4 | V854 L867 A868 E872 A873 F874 L885 V889 I929 F947 | V854-V870 HydrophobicContact CG1-CG1 3.95Å; L867-V870 WeakPolarHBondContact O-CG1 3.4Å; L867-V870 PolarHBondContact O-N 3.3Å; A868-V870 PolarHBondContact O-N 3.34Å; A868-V870 VanDerWaalsContact O-N 3.11Å; V870-E872 PolarHBondContact O-N 2.96Å; V870-A873 PolarHBondContact O-N 2.76Å; V870-A873 VanDerWaalsContact O-N 3.13Å; V870-F874 HydrophobicContact CG1-CE1 4.01Å; V870-F874 HydrophobicContact CG1-CZ 3.88Å; V870-F874 HydrophobicContact CG2-CE1 4.22Å; V870-F874 WeakPolarHBondContact O-CD1 3.34Å; V870-L885 HydrophobicContact CG2-CB 4.05Å; V870-L885 HydrophobicContact CG2-CD1 3.51Å; V870-L885 HydrophobicContact CG2-CD2 4.44Å; V870-L885 HydrophobicContact CG2-CG 4.18Å; V870-V889 HydrophobicContact CG1-CG2 4.48Å; V870-I929 HydrophobicContact CB-CD1 4.44Å; V870-I929 HydrophobicContact CG2-CD1 4.14Å; V870-I929 HydrophobicContact CG2-CG1 4.07Å; V870-F947 HydrophobicContact CB-CE1 4.45Å |
| 871 | H | 92.8 | Very high | 92.8 | Very high | 36 Ų | 36 | 27.4 Ų | 27.4 | 17% | 0.167 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -62.7 | -24.9 | 176.6 | 65.5 | 72.2 | 0 | 0 | 0 | 114 | C851 V854 A868 N869 A873 F874 | C851-H871 HydrophobicContact CB-CB 4.01Å; C851-H871 PolarHBondContact SG-O 3.25Å; C851-H871 VanDerWaalsContact SG-O 3.37Å; V854-H871 HydrophobicContact CB-CB 4.16Å; V854-H871 HydrophobicContact CG1-CB 4.25Å; A868-H871 PolarHBondContact O-CD2 3.27Å; A868-H871 PolarHBondContact O-NE2 3.36Å; N869-H871 PolarHBondContact O-N 3.37Å; N869-H871 VanDerWaalsContact O-N 3.09Å; H871-A873 PolarHBondContact O-N 3.19Å; H871-F874 HydrophobicContact CB-CD2 4.06Å; H871-F874 HydrophobicContact CB-CE2 3.99Å; H871-F874 PolarHBondContact O-N 3Å |
| 872 | E | 91.7 | Very high | 92.9 | Very high | 73 Ų | 73 | 25.9 Ų | 25.9 | 34% | 0.341 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -64.3 | -27.3 | 177.4 | -63.2 | 178.7 | -173.8 | 0 | 0 | 111.3 | N869 V870 | N869-E872 WeakPolarHBondContact O-CB 3.3Å; N869-E872 PolarHBondContact O-N 2.72Å; V870-E872 PolarHBondContact O-N 2.96Å |
| 873 | A | 91.9 | Very high | 93 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -22.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V870 H871 A875 H876 L877 L940 | V870-A873 PolarHBondContact O-N 2.76Å; V870-A873 VanDerWaalsContact O-N 3.13Å; H871-A873 PolarHBondContact O-N 3.19Å; A873-A875 VanDerWaalsContact C-N 3.3Å; A873-A875 PolarHBondContact O-N 3.04Å; A873-A875 VanDerWaalsContact O-N 3.13Å; A873-H876 PolarHBondContact O-N 3.3Å; A873-L877 HydrophobicContact CB-CD1 4.1Å; A873-L877 WeakPolarHBondContact O-CG 3.39Å; A873-L940 HydrophobicContact CB-CD1 4.2Å; A873-L940 HydrophobicContact CB-CD2 4.23Å |
| 874 | F | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -56.8 | -37.1 | -167.2 | -69.1 | -14 | 0 | 0 | 0 | 114.3 | S840 L847 V854 V870 H871 H876 L877 V882 L885 L886 | S840-F874 WeakPolarHBondContact CB-O 3.3Å; S840-F874 PolarHBondContact OG-O 3.01Å; L847-F874 HydrophobicContact CD1-CB 3.51Å; V854-F874 HydrophobicContact CG2-CE2 4.1Å; V854-F874 HydrophobicContact CG2-CZ 4.22Å; V870-F874 HydrophobicContact CG1-CE1 4.01Å; V870-F874 HydrophobicContact CG1-CZ 3.88Å; V870-F874 HydrophobicContact CG2-CE1 4.22Å; V870-F874 WeakPolarHBondContact O-CD1 3.34Å; H871-F874 HydrophobicContact CB-CD2 4.06Å; H871-F874 HydrophobicContact CB-CE2 3.99Å; H871-F874 PolarHBondContact O-N 3Å; F874-H876 PolarHBondContact O-N 3.01Å; F874-H876 VanDerWaalsContact O-N 3.11Å; F874-L877 HydrophobicContact CD1-CD1 4.34Å; F874-L877 PolarHBondContact O-N 3.5Å; F874-V882 HydrophobicContact CB-CG2 4.37Å; F874-V882 HydrophobicContact CD1-CG1 4.23Å; F874-V882 HydrophobicContact CD1-CG2 4.29Å; F874-V882 HydrophobicContact CE1-CG1 4.39Å; F874-V882 HydrophobicContact CG-CG1 4.3Å; F874-V882 HydrophobicContact CG-CG2 4.48Å; F874-L885 HydrophobicContact CE1-CB 4.06Å; F874-L885 HydrophobicContact CE1-CD1 4.21Å; F874-L886 HydrophobicContact CE2-CD2 3.98Å; F874-L886 HydrophobicContact CZ-CD2 3.7Å; F874-L886 HydrophobicContact CZ-CG 4.2Å |
| 875 | A | 92.8 | Very high | 93.2 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 32% | 0.322 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -64.4 | -15.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | T841 L847 A873 | T841-A875 WeakPolarHBondContact CG2-O 3.16Å; L847-A875 HydrophobicContact CD2-CB 4.22Å; A873-A875 VanDerWaalsContact C-N 3.3Å; A873-A875 PolarHBondContact O-N 3.04Å; A873-A875 VanDerWaalsContact O-N 3.13Å |
| 876 | H | 92.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 25.6 Ų | 25.6 | 32% | 0.319 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -107.1 | -3.3 | -179.4 | -53.5 | 102 | 0 | 0 | 0 | 113.1 | A873 F874 R939 L940 | A873-H876 PolarHBondContact O-N 3.3Å; F874-H876 PolarHBondContact O-N 3.01Å; F874-H876 VanDerWaalsContact O-N 3.11Å; H876-R939 PolarHBondContact O-NH1 3.5Å; H876-R939 PolarHBondContact O-NH2 3.17Å; H876-L940 HydrophobicContact CB-CD2 3.83Å; H876-L940 HydrophobicContact CB-CG 4.42Å |
| 877 | L | 94 | Very high | 93.9 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -98.9 | 158.4 | -172.9 | -68 | 176.8 | 0 | 0 | 0 | 112.8 | S840 A873 F874 E881 V882 L885 V932 L940 | S840-L877 WeakPolarHBondContact CB-O 3.45Å; S840-L877 PolarHBondContact N-O 3.4Å; S840-L877 PolarHBondContact OG-O 3.1Å; A873-L877 HydrophobicContact CB-CD1 4.1Å; A873-L877 WeakPolarHBondContact O-CG 3.39Å; F874-L877 HydrophobicContact CD1-CD1 4.34Å; F874-L877 PolarHBondContact O-N 3.5Å; L877-E881 HydrophobicContact CB-CB 4.13Å; L877-E881 HydrophobicContact CD2-CB 4.3Å; L877-V882 HydrophobicContact CB-CG2 3.82Å; L877-L885 HydrophobicContact CD1-CD1 3.42Å; L877-L885 VanDerWaalsContact CD1-CD1 3.42Å; L877-V932 HydrophobicContact CD1-CG1 4.05Å; L877-V932 HydrophobicContact CD2-CG1 3.49Å; L877-V932 VanDerWaalsContact CD2-CG1 3.49Å; L877-V932 HydrophobicContact CG-CG1 4.43Å; L877-L940 HydrophobicContact CD2-CD1 3.62Å; L877-L940 HydrophobicContact CG-CD1 4.28Å |
| 878 | T | 94.3 | Very high | 94 | Very high | 51 Ų | 51 | 27.2 Ų | 27.2 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | trans | -72.5 | 153.8 | 168.7 | 62 | 0 | 0 | 0 | 0 | 110.9 | F880 E881 V882 | T878-F880 VanDerWaalsContact C-N 3.26Å; T878-F880 PolarHBondContact O-N 3.2Å; T878-E881 WeakPolarHBondContact CB-OE2 3.43Å; T878-E881 PolarHBondContact N-OE2 3.43Å; T878-E881 PolarHBondContact O-N 2.86Å; T878-E881 VanDerWaalsContact OG1-CG 3.25Å; T878-E881 WeakPolarHBondContact OG1-CG 3.43Å; T878-E881 PolarHBondContact OG1-N 3.1Å; T878-E881 PolarHBondContact OG1-OE2 2.96Å; T878-V882 PolarHBondContact O-N 2.88Å | ||
| 879 | P | 95.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -48.4 | -43.6 | 176.1 | -35.8 | 41.2 | 0 | 0 | 0 | 114.8 | W832 E837 V882 R883 | W832-P879 HydrophobicContact CE3-CB 3.76Å; W832-P879 HydrophobicContact CE3-CG 4.26Å; W832-P879 HydrophobicContact CZ3-CB 4.24Å; W832-P879 HydrophobicContact CZ3-CG 4.23Å; E837-P879 WeakPolarHBondContact O-CG 3.46Å; P879-V882 PolarHBondContact O-N 3.33Å; P879-R883 PolarHBondContact O-N 2.89Å |
| 880 | F | 94.9 | Very high | 94.4 | Very high | 124 Ų | 124 | 26.1 Ų | 26.1 | 54% | 0.544 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 179.3 | -178 | -104.3 | 0 | 0 | 0 | 112.6 | T878 R883 L884 | T878-F880 VanDerWaalsContact C-N 3.26Å; T878-F880 PolarHBondContact O-N 3.2Å; F880-R883 WeakPolarHBondContact O-CB 3.43Å; F880-R883 PolarHBondContact O-N 2.87Å; F880-L884 HydrophobicContact CD1-CD1 3.98Å; F880-L884 HydrophobicContact CD1-CG 4.34Å; F880-L884 HydrophobicContact CE1-CD1 3.56Å; F880-L884 HydrophobicContact CE1-CD2 4.34Å; F880-L884 HydrophobicContact CE1-CG 3.98Å; F880-L884 HydrophobicContact CZ-CD1 4.19Å; F880-L884 HydrophobicContact CZ-CD2 4.13Å; F880-L884 HydrophobicContact CZ-CG 4.19Å; F880-L884 WeakPolarHBondContact O-CG 3.47Å; F880-L884 PolarHBondContact O-N 3.44Å |
| 881 | E | 95.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 175.1 | -72.7 | 161.4 | 161.3 | 0 | 0 | 111.2 | L877 T878 R883 L884 L885 V932 K935 N936 | L877-E881 HydrophobicContact CB-CB 4.13Å; L877-E881 HydrophobicContact CD2-CB 4.3Å; T878-E881 WeakPolarHBondContact CB-OE2 3.43Å; T878-E881 PolarHBondContact N-OE2 3.43Å; T878-E881 PolarHBondContact O-N 2.86Å; T878-E881 VanDerWaalsContact OG1-CG 3.25Å; T878-E881 WeakPolarHBondContact OG1-CG 3.43Å; T878-E881 PolarHBondContact OG1-N 3.1Å; T878-E881 PolarHBondContact OG1-OE2 2.96Å; E881-R883 VanDerWaalsContact C-N 3.33Å; E881-R883 PolarHBondContact O-N 3.31Å; E881-L884 PolarHBondContact O-N 3.3Å; E881-L885 WeakPolarHBondContact O-CG 3.34Å; E881-L885 PolarHBondContact O-N 2.98Å; E881-L885 VanDerWaalsContact O-N 3.07Å; E881-V932 HydrophobicContact CB-CG1 4.03Å; E881-V932 HydrophobicContact CG-CG1 4.15Å; E881-V932 HydrophobicContact CG-CG2 4.36Å; E881-K935 WeakPolarHBondContact OE1-CD 3.46Å; E881-K935 WeakPolarHBondContact OE1-CE 3.47Å; E881-K935 IonicContact OE1-NZ 3.25Å; E881-K935 PolarHBondContact OE1-NZ 3.3Å; E881-N936 PolarHBondContact OE1-ND2 3.13Å |
| 882 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 173.2 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | W832 F874 L877 T878 P879 L884 L885 L886 | W832-V882 HydrophobicContact CD2-CB 4.37Å; W832-V882 HydrophobicContact CD2-CG1 4.1Å; W832-V882 HydrophobicContact CG-CB 4.48Å; W832-V882 HydrophobicContact CG-CG1 4.14Å; W832-V882 HydrophobicContact CZ2-CG1 4.32Å; F874-V882 HydrophobicContact CB-CG2 4.37Å; F874-V882 HydrophobicContact CD1-CG1 4.23Å; F874-V882 HydrophobicContact CD1-CG2 4.29Å; F874-V882 HydrophobicContact CE1-CG1 4.39Å; F874-V882 HydrophobicContact CG-CG1 4.3Å; F874-V882 HydrophobicContact CG-CG2 4.48Å; L877-V882 HydrophobicContact CB-CG2 3.82Å; T878-V882 PolarHBondContact O-N 2.88Å; P879-V882 PolarHBondContact O-N 3.33Å; V882-L884 PolarHBondContact O-N 3.07Å; V882-L885 PolarHBondContact O-N 3.19Å; V882-L886 HydrophobicContact CG1-CD1 3.99Å; V882-L886 HydrophobicContact CG1-CG 4.31Å; V882-L886 WeakPolarHBondContact O-CB 3.19Å; V882-L886 WeakPolarHBondContact O-CG 3.05Å; V882-L886 PolarHBondContact O-N 3.35Å |
| 883 | R | 96.1 | Very high | 94.7 | Very high | 24 Ų | 24 | 23.8 Ų | 23.8 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.7 | -47.8 | 173.4 | 175.8 | -174.1 | 166.2 | 76.8 | 6.3 | 111.9 | E777 L829 W832 E833 P879 F880 E881 L885 L886 L887 | E777-R883 IonicContact OE1-CZ 3.56Å; E777-R883 IonicContact OE1-NH1 3.33Å; E777-R883 IonicContact OE1-NH2 3.92Å; E777-R883 PolarHBondContact OE1-NH2 2.87Å; L829-R883 HydrophobicContact CD2-CG 4.13Å; L829-R883 PolarHBondContact O-NH1 2.95Å; L829-R883 VanDerWaalsContact O-NH1 3.08Å; W832-R883 HydrophobicContact CB-CB 3.9Å; E833-R883 IonicContact OE1-CZ 3.64Å; E833-R883 IonicContact OE1-NH1 3.61Å; E833-R883 IonicContact OE1-NH2 3.52Å; E833-R883 IonicContact OE2-CZ 2.77Å; E833-R883 VanDerWaalsContact OE2-CZ 3.25Å; E833-R883 IonicContact OE2-NH1 3.6Å; E833-R883 PolarHBondContact OE2-NH1 3.37Å; E833-R883 IonicContact OE2-NH2 3.49Å; E833-R883 PolarHBondContact OE2-NH2 3.4Å; P879-R883 PolarHBondContact O-N 2.89Å; F880-R883 WeakPolarHBondContact O-CB 3.43Å; F880-R883 PolarHBondContact O-N 2.87Å; E881-R883 VanDerWaalsContact C-N 3.33Å; E881-R883 PolarHBondContact O-N 3.31Å; R883-L885 VanDerWaalsContact C-N 3.32Å; R883-L885 PolarHBondContact O-N 3.04Å; R883-L886 PolarHBondContact O-N 3.41Å; R883-L887 WeakPolarHBondContact O-CB 3.3Å; R883-L887 PolarHBondContact O-N 3.26Å |
| 884 | L | 95.1 | Very high | 94.7 | Very high | 62 Ų | 62 | 28.7 Ų | 28.7 | 33% | 0.325 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.3 | -41.3 | -179.4 | -72.3 | 175.9 | 0 | 0 | 0 | 112.3 | F880 E881 V882 L887 A888 | F880-L884 HydrophobicContact CD1-CD1 3.98Å; F880-L884 HydrophobicContact CD1-CG 4.34Å; F880-L884 HydrophobicContact CE1-CD1 3.56Å; F880-L884 HydrophobicContact CE1-CD2 4.34Å; F880-L884 HydrophobicContact CE1-CG 3.98Å; F880-L884 HydrophobicContact CZ-CD1 4.19Å; F880-L884 HydrophobicContact CZ-CD2 4.13Å; F880-L884 HydrophobicContact CZ-CG 4.19Å; F880-L884 WeakPolarHBondContact O-CG 3.47Å; F880-L884 PolarHBondContact O-N 3.44Å; E881-L884 PolarHBondContact O-N 3.3Å; V882-L884 PolarHBondContact O-N 3.07Å; L884-L887 PolarHBondContact O-N 3.05Å; L884-A888 PolarHBondContact O-N 3.41Å |
| 885 | L | 95.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.7 | -40.3 | 179.2 | -60.2 | -174.5 | 0 | 0 | 0 | 111.8 | V870 F874 L877 E881 V882 R883 L887 A888 V889 I929 V932 | V870-L885 HydrophobicContact CG2-CB 4.05Å; V870-L885 HydrophobicContact CG2-CD1 3.51Å; V870-L885 HydrophobicContact CG2-CD2 4.44Å; V870-L885 HydrophobicContact CG2-CG 4.18Å; F874-L885 HydrophobicContact CE1-CB 4.06Å; F874-L885 HydrophobicContact CE1-CD1 4.21Å; L877-L885 HydrophobicContact CD1-CD1 3.42Å; L877-L885 VanDerWaalsContact CD1-CD1 3.42Å; E881-L885 WeakPolarHBondContact O-CG 3.34Å; E881-L885 PolarHBondContact O-N 2.98Å; E881-L885 VanDerWaalsContact O-N 3.07Å; V882-L885 PolarHBondContact O-N 3.19Å; R883-L885 VanDerWaalsContact C-N 3.32Å; R883-L885 PolarHBondContact O-N 3.04Å; L885-L887 VanDerWaalsContact C-N 3.28Å; L885-L887 PolarHBondContact O-N 3.45Å; L885-A888 WeakPolarHBondContact O-CB 3.49Å; L885-A888 PolarHBondContact O-N 2.87Å; L885-V889 WeakPolarHBondContact O-CG2 3.22Å; L885-V889 PolarHBondContact O-N 3.21Å; L885-V889 VanDerWaalsContact O-N 3.07Å; L885-I929 HydrophobicContact CD2-CB 4.36Å; L885-I929 HydrophobicContact CD2-CG1 3.77Å; L885-V932 HydrophobicContact CD1-CG1 4.21Å; L885-V932 HydrophobicContact CD2-CB 4.23Å; L885-V932 HydrophobicContact CD2-CG2 4.01Å |
| 886 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.7 | -32.9 | 172.9 | -69.9 | 179 | 0 | 0 | 0 | 112.3 | L825 L828 L829 V854 F874 V882 R883 V889 W890 | L825-L886 HydrophobicContact CD1-CB 4.01Å; L825-L886 HydrophobicContact CD1-CD1 4.27Å; L825-L886 HydrophobicContact CD1-CD2 3.82Å; L825-L886 HydrophobicContact CD1-CG 4.24Å; L828-L886 HydrophobicContact CB-CD1 4.28Å; L829-L886 HydrophobicContact CD2-CB 3.66Å; L829-L886 HydrophobicContact CG-CB 4.33Å; V854-L886 HydrophobicContact CG2-CD2 3.78Å; F874-L886 HydrophobicContact CE2-CD2 3.98Å; F874-L886 HydrophobicContact CZ-CD2 3.7Å; F874-L886 HydrophobicContact CZ-CG 4.2Å; V882-L886 HydrophobicContact CG1-CD1 3.99Å; V882-L886 HydrophobicContact CG1-CG 4.31Å; V882-L886 WeakPolarHBondContact O-CB 3.19Å; V882-L886 WeakPolarHBondContact O-CG 3.05Å; V882-L886 PolarHBondContact O-N 3.35Å; R883-L886 PolarHBondContact O-N 3.41Å; L886-V889 WeakPolarHBondContact O-CB 3.48Å; L886-V889 PolarHBondContact O-N 3.14Å; L886-W890 PolarHBondContact O-N 2.96Å |
| 887 | L | 95.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 26.8 Ų | 26.8 | 20% | 0.204 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.8 | -38.6 | 174.9 | -176.6 | 61.1 | 0 | 0 | 0 | 111.3 | E777 L829 R883 L884 L885 V889 W890 E891 | E777-L887 HydrophobicContact CB-CD1 4.28Å; E777-L887 HydrophobicContact CG-CD1 4.12Å; E777-L887 WeakPolarHBondContact OE2-CD1 3.36Å; L829-L887 HydrophobicContact CD2-CB 4.17Å; R883-L887 WeakPolarHBondContact O-CB 3.3Å; R883-L887 PolarHBondContact O-N 3.26Å; L884-L887 PolarHBondContact O-N 3.05Å; L885-L887 VanDerWaalsContact C-N 3.28Å; L885-L887 PolarHBondContact O-N 3.45Å; L887-V889 VanDerWaalsContact C-N 3.29Å; L887-V889 PolarHBondContact O-N 3.42Å; L887-W890 WeakPolarHBondContact O-CB 3.36Å; L887-W890 PolarHBondContact O-N 3.32Å; L887-E891 PolarHBondContact O-N 3.46Å |
| 888 | A | 94.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L884 L885 Y892 P928 | L884-A888 PolarHBondContact O-N 3.41Å; L885-A888 WeakPolarHBondContact O-CB 3.49Å; L885-A888 PolarHBondContact O-N 2.87Å; A888-Y892 WeakPolarHBondContact O-CB 3.39Å; A888-Y892 PolarHBondContact O-N 3.26Å; A888-P928 HydrophobicContact CB-CB 4.48Å; A888-P928 HydrophobicContact CB-CG 4.37Å |
| 889 | V | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 172.1 | 171 | 0 | 0 | 0 | 0 | 111.2 | L825 M857 L863 V870 L885 L886 L887 Y892 V893 | L825-V889 HydrophobicContact CD2-CG1 4.25Å; M857-V889 HydrophobicContact CE-CG1 4.13Å; L863-V889 HydrophobicContact CD1-CG1 3.93Å; L863-V889 HydrophobicContact CD1-CG2 4.47Å; L863-V889 HydrophobicContact CD2-CG1 3.94Å; V870-V889 HydrophobicContact CG1-CG2 4.48Å; L885-V889 WeakPolarHBondContact O-CG2 3.22Å; L885-V889 PolarHBondContact O-N 3.21Å; L885-V889 VanDerWaalsContact O-N 3.07Å; L886-V889 WeakPolarHBondContact O-CB 3.48Å; L886-V889 PolarHBondContact O-N 3.14Å; L887-V889 VanDerWaalsContact C-N 3.29Å; L887-V889 PolarHBondContact O-N 3.42Å; V889-Y892 PolarHBondContact O-N 2.84Å; V889-V893 WeakPolarHBondContact O-CG2 3.1Å; V889-V893 PolarHBondContact O-N 3.49Å |
| 890 | W | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.8 | -51.1 | 176.7 | -174.6 | -75.7 | 0 | 0 | 0 | 111.9 | W774 P775 A780 R822 L825 A826 L829 L886 L887 Y892 V893 R894 | W774-W890 AromaticContact CE3-CD2 3.93Å; W774-W890 HydrophobicContact CE3-CD2 3.93Å; W774-W890 HydrophobicContact CE3-CE3 4.07Å; W774-W890 HydrophobicContact CE3-CG 4.4Å; W774-W890 HydrophobicContact CE3-CZ2 4.41Å; W774-W890 HydrophobicContact CE3-CZ3 4.37Å; W774-W890 AromaticContact CZ3-CD2 3.89Å; W774-W890 HydrophobicContact CZ3-CD2 3.89Å; W774-W890 AromaticContact CZ3-CE3 3.6Å; W774-W890 HydrophobicContact CZ3-CE3 3.6Å; W774-W890 HydrophobicContact CZ3-CG 4.46Å; W774-W890 AromaticContact CZ3-CZ3 3.93Å; W774-W890 HydrophobicContact CZ3-CZ3 3.93Å; P775-W890 PolarHBondContact O-NE1 3.07Å; A780-W890 HydrophobicContact CB-CH2 4.22Å; R822-W890 HydrophobicContact CG-CH2 3.58Å; R822-W890 HydrophobicContact CG-CZ2 4.32Å; R822-W890 HydrophobicContact CG-CZ3 4.06Å; L825-W890 HydrophobicContact CB-CE3 4.19Å; L825-W890 HydrophobicContact CB-CZ3 4.21Å; L825-W890 HydrophobicContact CD2-CB 4.32Å; L825-W890 HydrophobicContact CD2-CE3 3.81Å; L825-W890 HydrophobicContact CG-CE3 3.85Å; L825-W890 HydrophobicContact CG-CZ3 4.35Å; A826-W890 HydrophobicContact CB-CH2 4.11Å; A826-W890 HydrophobicContact CB-CZ3 3.94Å; L829-W890 HydrophobicContact CD1-CB 4.45Å; L829-W890 HydrophobicContact CD1-CD2 4.27Å; L829-W890 HydrophobicContact CD1-CE3 3.75Å; L829-W890 HydrophobicContact CD1-CZ3 4.37Å; L886-W890 PolarHBondContact O-N 2.96Å; L887-W890 WeakPolarHBondContact O-CB 3.36Å; L887-W890 PolarHBondContact O-N 3.32Å; W890-Y892 VanDerWaalsContact C-N 3.3Å; W890-Y892 PolarHBondContact O-N 2.93Å; W890-V893 PolarHBondContact O-N 3.35Å; W890-R894 VanDerWaalsContact O-CB 3.3Å; W890-R894 WeakPolarHBondContact O-CB 3.48Å; W890-R894 PolarHBondContact O-N 3.42Å |
| 891 | E | 94.1 | Very high | 93.3 | Very high | 60 Ų | 60 | 31.3 Ų | 31.3 | 28% | 0.28 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.7 | -30 | -178.9 | -73.2 | -60.8 | 137.9 | 0 | 0 | 112.6 | L887 R894 G895 Y925 | L887-E891 PolarHBondContact O-N 3.46Å; E891-R894 IonicContact OE1-NH1 3.67Å; E891-R894 PolarHBondContact OE1-NH1 3.37Å; E891-R894 VanDerWaalsContact OE1-NH1 3.14Å; E891-R894 IonicContact OE2-NH1 3.93Å; E891-R894 PolarHBondContact OE2-NH1 3.25Å; E891-G895 PolarHBondContact O-N 2.93Å; E891-Y925 HydrophobicContact CB-CD1 4.38Å; E891-Y925 HydrophobicContact CB-CE1 3.92Å; E891-Y925 VanDerWaalsContact O-CE1 3.3Å; E891-Y925 WeakPolarHBondContact O-CE1 3.45Å; E891-Y925 PolarHBondContact O-OH 3.11Å |
| 892 | Y | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -53.6 | 170.7 | 178.8 | -91 | 0 | 0 | 0 | 111 | L862 L863 P864 L867 A888 V889 W890 R894 G895 N896 D919 V922 Y925 | L862-Y892 WeakPolarHBondContact O-CE1 3.41Å; L863-Y892 HydrophobicContact CD2-CD1 3.78Å; L863-Y892 HydrophobicContact CD2-CE1 4.32Å; P864-Y892 VanDerWaalsContact CD-CE1 3.44Å; P864-Y892 HydrophobicContact CG-CE1 4.39Å; P864-Y892 HydrophobicContact CG-CE2 4.04Å; L867-Y892 HydrophobicContact CD1-CD1 3.88Å; L867-Y892 HydrophobicContact CD1-CD2 3.5Å; L867-Y892 HydrophobicContact CD1-CE2 4.19Å; L867-Y892 HydrophobicContact CD1-CG 3.32Å; A888-Y892 WeakPolarHBondContact O-CB 3.39Å; A888-Y892 PolarHBondContact O-N 3.26Å; V889-Y892 PolarHBondContact O-N 2.84Å; W890-Y892 VanDerWaalsContact C-N 3.3Å; W890-Y892 PolarHBondContact O-N 2.93Å; Y892-R894 VanDerWaalsContact C-N 3.26Å; Y892-R894 PolarHBondContact O-N 3.43Å; Y892-G895 PolarHBondContact O-N 3.31Å; Y892-G895 VanDerWaalsContact O-N 3.16Å; Y892-N896 HydrophobicContact CD1-CB 4.49Å; Y892-N896 HydrophobicContact CE1-CB 4.02Å; Y892-N896 HydrophobicContact CE2-CB 4.42Å; Y892-N896 WeakPolarHBondContact CE2-ND2 3.33Å; Y892-N896 WeakPolarHBondContact O-CB 3.13Å; Y892-N896 PolarHBondContact O-N 2.92Å; Y892-D919 PolarHBondContact OH-OD2 2.75Å; Y892-V922 HydrophobicContact CE2-CG1 4.28Å; Y892-V922 HydrophobicContact CE2-CG2 4.36Å; Y892-Y925 AromaticContact CD2-CD2 3.55Å; Y892-Y925 HydrophobicContact CD2-CD2 3.55Å; Y892-Y925 AromaticContact CD2-CE2 3.74Å; Y892-Y925 HydrophobicContact CD2-CE2 3.74Å; Y892-Y925 AromaticContact CD2-CG 3.98Å; Y892-Y925 HydrophobicContact CD2-CG 3.98Å; Y892-Y925 HydrophobicContact CE2-CD2 4.36Å; Y892-Y925 HydrophobicContact CE2-CE2 4.47Å; Y892-Y925 HydrophobicContact CG-CD2 4.46Å; Y892-Y925 VanDerWaalsContact N-CE1 3.34Å |
| 893 | V | 93.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -33 | -177.3 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | W774 M857 L863 V889 W890 N896 G897 P898 | W774-V893 HydrophobicContact CD2-CB 4.17Å; W774-V893 HydrophobicContact CD2-CG1 3.55Å; W774-V893 VanDerWaalsContact CE2-CG1 3.45Å; W774-V893 HydrophobicContact CE3-CB 4.25Å; W774-V893 HydrophobicContact CE3-CG1 4.1Å; W774-V893 HydrophobicContact CG-CG1 3.82Å; W774-V893 HydrophobicContact CH2-CG1 4.42Å; W774-V893 HydrophobicContact CZ2-CG1 3.92Å; M857-V893 HydrophobicContact CE-CG2 3.6Å; L863-V893 HydrophobicContact CD2-CG2 3.57Å; V889-V893 WeakPolarHBondContact O-CG2 3.1Å; V889-V893 PolarHBondContact O-N 3.49Å; W890-V893 PolarHBondContact O-N 3.35Å; V893-N896 CarbonylContact O-C 3.35Å; V893-N896 PolarHBondContact O-N 2.92Å; V893-G897 WeakPolarHBondContact O-CA 3.46Å; V893-G897 PolarHBondContact O-N 2.89Å; V893-P898 HydrophobicContact CG1-CG 4.35Å |
| 894 | R | 93.3 | Very high | 92.6 | Very high | 104 Ų | 104 | 37.8 Ų | 37.8 | 39% | 0.392 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.5 | -51 | 169.7 | 177.1 | 177.6 | 176.5 | -155.7 | -0.8 | 112.9 | W774 W890 E891 Y892 N896 | W774-R894 HydrophobicContact CB-CB 4.18Å; W890-R894 VanDerWaalsContact O-CB 3.3Å; W890-R894 WeakPolarHBondContact O-CB 3.48Å; W890-R894 PolarHBondContact O-N 3.42Å; E891-R894 IonicContact OE1-NH1 3.67Å; E891-R894 PolarHBondContact OE1-NH1 3.37Å; E891-R894 VanDerWaalsContact OE1-NH1 3.14Å; E891-R894 IonicContact OE2-NH1 3.93Å; E891-R894 PolarHBondContact OE2-NH1 3.25Å; Y892-R894 VanDerWaalsContact C-N 3.26Å; Y892-R894 PolarHBondContact O-N 3.43Å; R894-N896 VanDerWaalsContact C-N 3.26Å; R894-N896 PolarHBondContact O-N 3.31Å |
| 895 | G | 89.9 | Confident | 92.3 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.2 | -31.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E891 Y892 | E891-G895 PolarHBondContact O-N 2.93Å; Y892-G895 PolarHBondContact O-N 3.31Å; Y892-G895 VanDerWaalsContact O-N 3.16Å |
| 896 | N | 90.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 58.4 | -172.5 | -72.8 | -52.5 | 0 | 0 | 0 | 112.2 | Y892 V893 R894 R914 D919 | Y892-N896 HydrophobicContact CD1-CB 4.49Å; Y892-N896 HydrophobicContact CE1-CB 4.02Å; Y892-N896 HydrophobicContact CE2-CB 4.42Å; Y892-N896 WeakPolarHBondContact CE2-ND2 3.33Å; Y892-N896 WeakPolarHBondContact O-CB 3.13Å; Y892-N896 PolarHBondContact O-N 2.92Å; V893-N896 CarbonylContact O-C 3.35Å; V893-N896 PolarHBondContact O-N 2.92Å; R894-N896 VanDerWaalsContact C-N 3.26Å; R894-N896 PolarHBondContact O-N 3.31Å; N896-R914 PolarHBondContact O-NH2 3Å; N896-D919 HydrophobicContact CB-CB 4.32Å; N896-D919 PolarHBondContact ND2-O 3.14Å; N896-D919 WeakPolarHBondContact OD1-CA 3.17Å; N896-D919 WeakPolarHBondContact OD1-CB 3.01Å; N896-D919 PolarHBondContact OD1-O 3.13Å; N896-D919 PolarHBondContact OD1-OD1 2.84Å |
| 897 | G | 86.6 | Confident | 91.1 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | trans | -42.4 | 143.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115.9 | V893 L899 | V893-G897 WeakPolarHBondContact O-CA 3.46Å; V893-G897 PolarHBondContact O-N 2.89Å; G897-L899 PolarHBondContact O-N 3.05Å | ||
| 898 | P | 90.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | trans | -76.6 | 71.6 | -179.8 | 34.5 | -37.1 | 0 | 0 | 0 | 111 | L772 C815 L862 V893 | L772-P898 WeakPolarHBondContact O-CD 3.26Å; C815-P898 HydrophobicContact CB-CB 4.49Å; C815-P898 VanDerWaalsContact CB-O 3.28Å; C815-P898 WeakPolarHBondContact CB-O 3.48Å; C815-P898 PolarHBondContact SG-O 3.36Å; C815-P898 VanDerWaalsContact SG-O 3.41Å; L862-P898 HydrophobicContact CD1-CB 4.12Å; L862-P898 HydrophobicContact CD2-CB 3.67Å; L862-P898 HydrophobicContact CG-CB 4.46Å; V893-P898 HydrophobicContact CG1-CG 4.35Å | ||
| 899 | L | 90.9 | Very high | 89.2 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | trans | -96.8 | 129.3 | -179.2 | -64.1 | 172.2 | 0 | 0 | 0 | 110.3 | L772 G897 Q901 K902 | L772-L899 HydrophobicContact CB-CD2 4.03Å; L772-L899 HydrophobicContact CD1-CD2 4.25Å; G897-L899 PolarHBondContact O-N 3.05Å; L899-Q901 PolarHBondContact O-N 2.99Å; L899-Q901 VanDerWaalsContact O-N 3.08Å; L899-K902 HydrophobicContact CB-CG 4.4Å; L899-K902 PolarHBondContact O-N 3.19Å | ||
| 900 | P | 91.2 | Very high | 88.3 | Confident | 31 Ų | 31 | 60 Ų | 60 | 20% | 0.201 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -55.2 | -28.9 | 176.8 | -27.2 | 34.3 | 0 | 0 | 0 | 113.9 | P812 C815 Y816 K902 F903 | P812-P900 HydrophobicContact CG-CB 4.21Å; C815-P900 HydrophobicContact CB-CG 4.03Å; Y816-P900 HydrophobicContact CE1-CG 4.36Å; Y816-P900 HydrophobicContact CE2-CG 4.36Å; P900-K902 PolarHBondContact O-N 3.42Å; P900-F903 PolarHBondContact O-N 3.48Å |
| 901 | Q | 90.1 | Very high | 87.8 | Confident | 180 Ų | 180 | 62 Ų | 62 | 84% | 0.841 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -64.4 | -19.9 | 179.3 | -62.9 | 173.9 | -2.4 | 0 | 0 | 114 | L899 F903 | L899-Q901 PolarHBondContact O-N 2.99Å; L899-Q901 VanDerWaalsContact O-N 3.08Å; Q901-F903 PolarHBondContact O-N 2.94Å |
| 902 | K | 89.6 | Confident | 87.6 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -78.3 | -7 | 177.6 | -69.2 | -169.6 | 169.6 | -163.2 | 0 | 113.4 | L899 P900 R914 D919 | L899-K902 HydrophobicContact CB-CG 4.4Å; L899-K902 PolarHBondContact O-N 3.19Å; P900-K902 PolarHBondContact O-N 3.42Å; K902-R914 HydrophobicContact CB-CG 4.49Å; K902-D919 IonicContact NZ-OD1 2.89Å; K902-D919 PolarHBondContact NZ-OD1 3.08Å |
| 903 | F | 92.4 | Very high | 87.4 | Confident | 14 Ų | 14 | 64 Ų | 64 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132 | 179.8 | -70.7 | -103.9 | 0 | 0 | 0 | 110.6 | R811 P812 G860 Q861 L862 P900 Q901 F912 C913 R914 | R811-F903 HydrophobicContact CB-CD1 4.31Å; R811-F903 HydrophobicContact CB-CE1 4.16Å; R811-F903 HydrophobicContact CG-CE1 4.41Å; P812-F903 HydrophobicContact CB-CB 4.1Å; P812-F903 HydrophobicContact CB-CD1 3.97Å; P812-F903 HydrophobicContact CB-CD2 3.58Å; P812-F903 HydrophobicContact CB-CE1 4.25Å; P812-F903 HydrophobicContact CB-CE2 3.91Å; P812-F903 HydrophobicContact CB-CG 3.62Å; P812-F903 HydrophobicContact CB-CZ 4.23Å; G860-F903 WeakPolarHBondContact O-CZ 3.36Å; Q861-F903 HydrophobicContact CB-CE1 4.01Å; Q861-F903 HydrophobicContact CB-CZ 4.36Å; L862-F903 HydrophobicContact CD2-CZ 4.27Å; P900-F903 PolarHBondContact O-N 3.48Å; Q901-F903 PolarHBondContact O-N 2.94Å; F903-F912 HydrophobicContact CB-CB 4.14Å; F903-F912 HydrophobicContact CB-CD1 4.36Å; F903-F912 HydrophobicContact CD1-CB 4.31Å; F903-C913 WeakPolarHBondContact CA-O 3.48Å; F903-R914 HydrophobicContact CD1-CB 4.02Å; F903-R914 HydrophobicContact CE1-CB 3.91Å; F903-R914 HydrophobicContact CG-CB 4.4Å; F903-R914 HydrophobicContact CZ-CB 4.18Å |
| 904 | V | 90.8 | Very high | 87.2 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.5 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | S906 F912 C913 | V904-S906 PolarHBondContact O-N 3.08Å; V904-F912 WeakPolarHBondContact O-CA 3.31Å; V904-C913 PolarHBondContact N-O 3.05Å; V904-C913 PolarHBondContact O-N 3.29Å |
| 905 | F | 89.1 | Confident | 87 | Confident | 114 Ų | 114 | 62.6 Ų | 62.6 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.8 | 177.4 | -175.2 | -105.3 | 0 | 0 | 0 | 110.5 | F912 | F905-F912 HydrophobicContact CB-CD1 4.05Å; F905-F912 HydrophobicContact CB-CE1 3.75Å; F905-F912 HydrophobicContact CB-CZ 4.27Å; F905-F912 HydrophobicContact CD2-CD1 4.36Å; F905-F912 HydrophobicContact CD2-CD2 4.18Å; F905-F912 HydrophobicContact CD2-CE1 4.08Å; F905-F912 AromaticContact CD2-CE2 3.88Å; F905-F912 HydrophobicContact CD2-CE2 3.88Å; F905-F912 HydrophobicContact CD2-CG 4.4Å; F905-F912 AromaticContact CD2-CZ 3.83Å; F905-F912 HydrophobicContact CD2-CZ 3.83Å; F905-F912 HydrophobicContact CE2-CE2 4.49Å; F905-F912 HydrophobicContact CG-CE1 4.38Å; F905-F912 HydrophobicContact CG-CZ 4.44Å |
| 906 | S | 86.5 | Confident | 87 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.2 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | V904 D908 G910 I911 | V904-S906 PolarHBondContact O-N 3.08Å; S906-D908 VanDerWaalsContact C-N 3.28Å; S906-D908 PolarHBondContact O-N 3.1Å; S906-G910 WeakPolarHBondContact O-CA 3.4Å; S906-G910 PolarHBondContact O-N 3.49Å; S906-I911 WeakPolarHBondContact CB-O 3.4Å; S906-I911 PolarHBondContact N-O 2.87Å |
| 907 | S | 79.9 | Confident | 86.7 | Confident | 94 Ų | 94 | 67 Ų | 67 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -36.8 | 178.3 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | K909 | S907-K909 VanDerWaalsContact C-N 3.34Å; S907-K909 PolarHBondContact O-N 3.47Å |
| 908 | D | 77.2 | Confident | 86.6 | Confident | 148 Ų | 148 | 75.4 Ų | 75.4 | 79% | 0.791 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -31 | -172 | -56 | -12.5 | 0 | 0 | 0 | 112.2 | S906 | S906-D908 VanDerWaalsContact C-N 3.28Å; S906-D908 PolarHBondContact O-N 3.1Å |
| 909 | K | 72.9 | Confident | 86.2 | Confident | 148 Ų | 148 | 76 Ų | 76 | 64% | 0.643 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -7 | -179.3 | -60 | -172.1 | 177.5 | -170.5 | 0 | 113.5 | S907 I911 | S907-K909 VanDerWaalsContact C-N 3.34Å; S907-K909 PolarHBondContact O-N 3.47Å; K909-I911 HydrophobicContact CB-CD1 4.08Å; K909-I911 HydrophobicContact CB-CG1 3.6Å; K909-I911 HydrophobicContact CD-CD1 4.37Å; K909-I911 PolarHBondContact O-N 3.43Å; K909-I911 VanDerWaalsContact O-N 3.16Å |
| 910 | G | 77.3 | Confident | 85.7 | Confident | 40 Ų | 40 | 75.3 Ų | 75.3 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 19.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S906 | S906-G910 WeakPolarHBondContact O-CA 3.4Å; S906-G910 PolarHBondContact O-N 3.49Å |
| 911 | I | 83.9 | Confident | 85.3 | Confident | 43 Ų | 43 | 79 Ų | 79 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153.9 | -175.4 | 56.7 | 170.2 | 0 | 0 | 0 | 111.7 | P746 S906 K909 | P746-I911 HydrophobicContact CB-CG2 3.4Å; P746-I911 HydrophobicContact CG-CG2 4.33Å; S906-I911 WeakPolarHBondContact CB-O 3.4Å; S906-I911 PolarHBondContact N-O 2.87Å; K909-I911 HydrophobicContact CB-CD1 4.08Å; K909-I911 HydrophobicContact CB-CG1 3.6Å; K909-I911 HydrophobicContact CD-CD1 4.37Å; K909-I911 PolarHBondContact O-N 3.43Å; K909-I911 VanDerWaalsContact O-N 3.16Å |
| 912 | F | 89.3 | Confident | 85.1 | Confident | 65 Ų | 65 | 71.5 Ų | 71.5 | 29% | 0.285 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 132.2 | 170 | -71.9 | -86.5 | 0 | 0 | 0 | 110.6 | A749 R811 F903 V904 F905 | A749-F912 HydrophobicContact CB-CD2 3.98Å; A749-F912 HydrophobicContact CB-CE2 3.88Å; R811-F912 HydrophobicContact CB-CB 4.18Å; R811-F912 WeakPolarHBondContact CB-O 3.26Å; R811-F912 VanDerWaalsContact CD-O 3.27Å; R811-F912 WeakPolarHBondContact CD-O 3.3Å; R811-F912 WeakPolarHBondContact O-CD2 3.25Å; F903-F912 HydrophobicContact CB-CB 4.14Å; F903-F912 HydrophobicContact CB-CD1 4.36Å; F903-F912 HydrophobicContact CD1-CB 4.31Å; V904-F912 WeakPolarHBondContact O-CA 3.31Å; F905-F912 HydrophobicContact CB-CD1 4.05Å; F905-F912 HydrophobicContact CB-CE1 3.75Å; F905-F912 HydrophobicContact CB-CZ 4.27Å; F905-F912 HydrophobicContact CD2-CD1 4.36Å; F905-F912 HydrophobicContact CD2-CD2 4.18Å; F905-F912 HydrophobicContact CD2-CE1 4.08Å; F905-F912 AromaticContact CD2-CE2 3.88Å; F905-F912 HydrophobicContact CD2-CE2 3.88Å; F905-F912 HydrophobicContact CD2-CG 4.4Å; F905-F912 AromaticContact CD2-CZ 3.83Å; F905-F912 HydrophobicContact CD2-CZ 3.83Å; F905-F912 HydrophobicContact CE2-CE2 4.49Å; F905-F912 HydrophobicContact CG-CE1 4.38Å; F905-F912 HydrophobicContact CG-CZ 4.44Å |
| 913 | C | 89.6 | Confident | 84.8 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142 | 177.3 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | Q861 F903 V904 | Q861-C913 VanDerWaalsContact OE1-CA 3.29Å; F903-C913 WeakPolarHBondContact CA-O 3.48Å; V904-C913 PolarHBondContact N-O 3.05Å; V904-C913 PolarHBondContact O-N 3.29Å |
| 914 | R | 91.7 | Very high | 84.6 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 5% | 0.049 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.2 | 171.6 | -173.6 | -179.6 | 179.5 | 158.1 | -1.9 | 110.4 | Q861 N896 K902 F903 F916 D919 | Q861-R914 HydrophobicContact CB-CB 4.12Å; Q861-R914 WeakPolarHBondContact O-CD 3.34Å; N896-R914 PolarHBondContact O-NH2 3Å; K902-R914 HydrophobicContact CB-CG 4.49Å; F903-R914 HydrophobicContact CD1-CB 4.02Å; F903-R914 HydrophobicContact CE1-CB 3.91Å; F903-R914 HydrophobicContact CG-CB 4.4Å; F903-R914 HydrophobicContact CZ-CB 4.18Å; R914-F916 HydrophobicContact CG-CE1 4.41Å; R914-D919 IonicContact CZ-OD1 3.25Å; R914-D919 IonicContact CZ-OD2 2.76Å; R914-D919 IonicContact NE-OD1 3.3Å; R914-D919 IonicContact NE-OD2 3.99Å; R914-D919 PolarHBondContact NE-OD2 2.91Å; R914-D919 VanDerWaalsContact NH2-CG 3.27Å; R914-D919 IonicContact NH2-OD1 3.1Å; R914-D919 PolarHBondContact NH2-OD1 3.41Å; R914-D919 IonicContact NH2-OD2 3.83Å; R914-D919 PolarHBondContact NH2-OD2 3.04Å |
| 915 | D | 88.9 | Confident | 84.4 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | trans | -94.9 | 105.1 | 172.4 | 176.6 | 13 | 0 | 0 | 0 | 109.9 | S917 R918 | D915-S917 PolarHBondContact O-N 3.34Å; D915-S917 VanDerWaalsContact OD1-CB 3.26Å; D915-S917 WeakPolarHBondContact OD1-CB 3.25Å; D915-S917 PolarHBondContact OD1-N 3.49Å; D915-S917 VanDerWaalsContact OD1-N 3.11Å; D915-S917 PolarHBondContact OD1-OG 2.92Å; D915-R918 HydrophobicContact CB-CG 4.47Å; D915-R918 PolarHBondContact O-N 3.03Å; D915-R918 IonicContact OD2-CZ 2.7Å; D915-R918 IonicContact OD2-NE 3.85Å; D915-R918 PolarHBondContact OD2-NE 2.64Å; D915-R918 IonicContact OD2-NH2 3.84Å | ||
| 916 | F | 89.1 | Confident | 84.4 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 18% | 0.175 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -71.7 | -15.4 | -178.3 | -65.9 | -71 | 0 | 0 | 0 | 113.7 | Q861 L863 P864 R914 R918 D919 | Q861-F916 HydrophobicContact CB-CE2 4.39Å; Q861-F916 HydrophobicContact CB-CZ 3.94Å; Q861-F916 HydrophobicContact CG-CE2 4.49Å; Q861-F916 HydrophobicContact CG-CZ 4.47Å; Q861-F916 WeakPolarHBondContact O-CZ 3.41Å; L863-F916 WeakPolarHBondContact O-CZ 3.43Å; P864-F916 HydrophobicContact CB-CD1 4.1Å; P864-F916 HydrophobicContact CB-CD2 4.46Å; P864-F916 HydrophobicContact CB-CE1 4.41Å; P864-F916 HydrophobicContact CB-CG 4.12Å; R914-F916 HydrophobicContact CG-CE1 4.41Å; F916-R918 PolarHBondContact O-N 2.92Å; F916-R918 VanDerWaalsContact O-N 3.1Å; F916-D919 WeakPolarHBondContact O-CB 3.25Å; F916-D919 PolarHBondContact O-N 3.21Å; F916-D919 VanDerWaalsContact O-N 3.07Å |
| 917 | S | 84.5 | Confident | 84.5 | Confident | 107 Ų | 107 | 70 Ų | 70 | 75% | 0.748 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -63.2 | -20.1 | 177.1 | -36 | 0 | 0 | 0 | 0 | 112.1 | D915 | D915-S917 PolarHBondContact O-N 3.34Å; D915-S917 VanDerWaalsContact OD1-CB 3.26Å; D915-S917 WeakPolarHBondContact OD1-CB 3.25Å; D915-S917 PolarHBondContact OD1-N 3.49Å; D915-S917 VanDerWaalsContact OD1-N 3.11Å; D915-S917 PolarHBondContact OD1-OG 2.92Å |
| 918 | R | 83.3 | Confident | 85 | Confident | 191 Ų | 191 | 67.7 Ų | 67.7 | 72% | 0.721 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -88.9 | -6.5 | -180 | -57.1 | 179.7 | -174.4 | -154.4 | -5.5 | 113.6 | D915 F916 G920 | D915-R918 HydrophobicContact CB-CG 4.47Å; D915-R918 PolarHBondContact O-N 3.03Å; D915-R918 IonicContact OD2-CZ 2.7Å; D915-R918 IonicContact OD2-NE 3.85Å; D915-R918 PolarHBondContact OD2-NE 2.64Å; D915-R918 IonicContact OD2-NH2 3.84Å; F916-R918 PolarHBondContact O-N 2.92Å; F916-R918 VanDerWaalsContact O-N 3.1Å; R918-G920 VanDerWaalsContact C-N 3.31Å; R918-G920 PolarHBondContact O-N 2.89Å |
| 919 | D | 82.1 | Confident | 85.5 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -90.3 | 12.7 | -174.9 | -78 | -30.7 | 0 | 0 | 0 | 113.4 | Y892 N896 K902 R914 F916 | Y892-D919 PolarHBondContact OH-OD2 2.75Å; N896-D919 HydrophobicContact CB-CB 4.32Å; N896-D919 PolarHBondContact ND2-O 3.14Å; N896-D919 WeakPolarHBondContact OD1-CA 3.17Å; N896-D919 WeakPolarHBondContact OD1-CB 3.01Å; N896-D919 PolarHBondContact OD1-O 3.13Å; N896-D919 PolarHBondContact OD1-OD1 2.84Å; K902-D919 IonicContact NZ-OD1 2.89Å; K902-D919 PolarHBondContact NZ-OD1 3.08Å; R914-D919 IonicContact CZ-OD1 3.25Å; R914-D919 IonicContact CZ-OD2 2.76Å; R914-D919 IonicContact NE-OD1 3.3Å; R914-D919 IonicContact NE-OD2 3.99Å; R914-D919 PolarHBondContact NE-OD2 2.91Å; R914-D919 VanDerWaalsContact NH2-CG 3.27Å; R914-D919 IonicContact NH2-OD1 3.1Å; R914-D919 PolarHBondContact NH2-OD1 3.41Å; R914-D919 IonicContact NH2-OD2 3.83Å; R914-D919 PolarHBondContact NH2-OD2 3.04Å; F916-D919 WeakPolarHBondContact O-CB 3.25Å; F916-D919 PolarHBondContact O-N 3.21Å; F916-D919 VanDerWaalsContact O-N 3.07Å |
| 920 | G | 80.8 | Confident | 86.4 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 55% | 0.546 | 32% | 0.32 | S | S | . | . | trans | 79 | -164 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R918 V922 | R918-G920 VanDerWaalsContact C-N 3.31Å; R918-G920 PolarHBondContact O-N 2.89Å; G920-V922 PolarHBondContact O-N 3.24Å | ||
| 921 | D | 82.5 | Confident | 87.1 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | trans | -74 | 109 | -178.4 | -177.6 | 18.5 | 0 | 0 | 0 | 111.8 | S923 | D921-S923 VanDerWaalsContact C-N 3.28Å; D921-S923 WeakPolarHBondContact OD1-CB 3.43Å; D921-S923 PolarHBondContact OD1-N 3.44Å; D921-S923 PolarHBondContact OD1-OG 3.49Å | ||
| 922 | V | 85.4 | Confident | 87.5 | Confident | 22 Ų | 22 | 58 Ų | 58 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | trans | -76.2 | -17.9 | 179.6 | -172 | 0 | 0 | 0 | 0 | 111.6 | P864 Y892 G920 R924 Y925 V926 L949 | P864-V922 HydrophobicContact CG-CG1 4.06Å; Y892-V922 HydrophobicContact CE2-CG1 4.28Å; Y892-V922 HydrophobicContact CE2-CG2 4.36Å; G920-V922 PolarHBondContact O-N 3.24Å; V922-R924 VanDerWaalsContact C-N 3.25Å; V922-R924 PolarHBondContact O-N 2.81Å; V922-R924 VanDerWaalsContact O-N 3.13Å; V922-Y925 WeakPolarHBondContact O-CB 3.43Å; V922-Y925 PolarHBondContact O-N 2.87Å; V922-V926 HydrophobicContact CG1-CG2 3.98Å; V922-V926 PolarHBondContact O-N 3.15Å; V922-L949 HydrophobicContact CB-CD2 4.29Å; V922-L949 HydrophobicContact CG1-CD2 4.33Å | ||
| 923 | S | 84.1 | Confident | 87.5 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57 | -35.8 | -172.4 | -49.8 | 0 | 0 | 0 | 0 | 113.2 | D921 Y925 V926 A927 | D921-S923 VanDerWaalsContact C-N 3.28Å; D921-S923 WeakPolarHBondContact OD1-CB 3.43Å; D921-S923 PolarHBondContact OD1-N 3.44Å; D921-S923 PolarHBondContact OD1-OG 3.49Å; S923-Y925 PolarHBondContact O-N 2.69Å; S923-V926 PolarHBondContact O-N 3.36Å; S923-A927 PolarHBondContact O-N 3Å |
| 924 | R | 87.4 | Confident | 87.6 | Confident | 161 Ų | 161 | 60.5 Ų | 60.5 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.2 | -28.7 | 177.5 | 72.6 | 179.5 | -176.7 | -179.6 | -2.5 | 113.6 | V922 | V922-R924 VanDerWaalsContact C-N 3.25Å; V922-R924 PolarHBondContact O-N 2.81Å; V922-R924 VanDerWaalsContact O-N 3.13Å |
| 925 | Y | 88.1 | Confident | 87.7 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 5% | 0.051 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -90.9 | -21.2 | -179 | -56.8 | -70.7 | 0 | 0 | 0 | 112.7 | E891 Y892 V922 S923 P928 | E891-Y925 HydrophobicContact CB-CD1 4.38Å; E891-Y925 HydrophobicContact CB-CE1 3.92Å; E891-Y925 VanDerWaalsContact O-CE1 3.3Å; E891-Y925 WeakPolarHBondContact O-CE1 3.45Å; E891-Y925 PolarHBondContact O-OH 3.11Å; Y892-Y925 AromaticContact CD2-CD2 3.55Å; Y892-Y925 HydrophobicContact CD2-CD2 3.55Å; Y892-Y925 AromaticContact CD2-CE2 3.74Å; Y892-Y925 HydrophobicContact CD2-CE2 3.74Å; Y892-Y925 AromaticContact CD2-CG 3.98Å; Y892-Y925 HydrophobicContact CD2-CG 3.98Å; Y892-Y925 HydrophobicContact CE2-CD2 4.36Å; Y892-Y925 HydrophobicContact CE2-CE2 4.47Å; Y892-Y925 HydrophobicContact CG-CD2 4.46Å; Y892-Y925 VanDerWaalsContact N-CE1 3.34Å; V922-Y925 WeakPolarHBondContact O-CB 3.43Å; V922-Y925 PolarHBondContact O-N 2.87Å; S923-Y925 PolarHBondContact O-N 2.69Å; Y925-P928 WeakPolarHBondContact O-CD 3.39Å |
| 926 | V | 88.4 | Confident | 87.8 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -88.2 | -24.2 | 177.1 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | V866 L867 V922 S923 I929 H930 L949 | V866-V926 HydrophobicContact CB-CG2 4.5Å; V866-V926 HydrophobicContact CG1-CB 4.45Å; V866-V926 HydrophobicContact CG1-CG1 3.66Å; V866-V926 HydrophobicContact CG1-CG2 3.83Å; L867-V926 HydrophobicContact CD2-CG2 4.46Å; V922-V926 HydrophobicContact CG1-CG2 3.98Å; V922-V926 PolarHBondContact O-N 3.15Å; S923-V926 PolarHBondContact O-N 3.36Å; V926-I929 HydrophobicContact CG1-CB 4.39Å; V926-I929 WeakPolarHBondContact O-CA 3.36Å; V926-I929 VanDerWaalsContact O-CB 3.3Å; V926-I929 WeakPolarHBondContact O-CB 3.48Å; V926-I929 PolarHBondContact O-N 3.09Å; V926-H930 VanDerWaalsContact CG1-NE2 3.27Å; V926-H930 WeakPolarHBondContact CG1-NE2 3.47Å; V926-H930 PolarHBondContact O-N 3.06Å; V926-L949 HydrophobicContact CG2-CD2 3.99Å; V926-L949 HydrophobicContact CG2-CG 4.41Å |
| 927 | A | 88.8 | Confident | 88 | Confident | 55 Ų | 55 | 66.7 Ų | 66.7 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -52.2 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S923 I929 H930 S931 | S923-A927 PolarHBondContact O-N 3Å; A927-I929 VanDerWaalsContact C-N 3.34Å; A927-I929 PolarHBondContact O-N 2.91Å; A927-H930 PolarHBondContact O-N 3.26Å; A927-S931 PolarHBondContact O-N 3.33Å |
| 928 | P | 89.5 | Confident | 88.3 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 171.5 | -24.1 | 34.9 | 0 | 0 | 0 | 113.6 | A888 Y925 S931 V932 | A888-P928 HydrophobicContact CB-CB 4.48Å; A888-P928 HydrophobicContact CB-CG 4.37Å; Y925-P928 WeakPolarHBondContact O-CD 3.39Å; P928-S931 PolarHBondContact O-N 3.4Å; P928-V932 VanDerWaalsContact O-CG2 3.3Å; P928-V932 WeakPolarHBondContact O-CG2 3.36Å; P928-V932 PolarHBondContact O-N 3.29Å |
| 929 | I | 89 | Confident | 88.7 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.015 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 177.2 | -64.3 | 169.6 | 0 | 0 | 0 | 110.1 | L867 V870 L885 V926 A927 S931 V932 L933 F947 | L867-I929 HydrophobicContact CD2-CD1 3.36Å; V870-I929 HydrophobicContact CB-CD1 4.44Å; V870-I929 HydrophobicContact CG2-CD1 4.14Å; V870-I929 HydrophobicContact CG2-CG1 4.07Å; L885-I929 HydrophobicContact CD2-CB 4.36Å; L885-I929 HydrophobicContact CD2-CG1 3.77Å; V926-I929 HydrophobicContact CG1-CB 4.39Å; V926-I929 WeakPolarHBondContact O-CA 3.36Å; V926-I929 VanDerWaalsContact O-CB 3.3Å; V926-I929 WeakPolarHBondContact O-CB 3.48Å; V926-I929 PolarHBondContact O-N 3.09Å; A927-I929 VanDerWaalsContact C-N 3.34Å; A927-I929 PolarHBondContact O-N 2.91Å; I929-S931 VanDerWaalsContact C-N 3.32Å; I929-S931 PolarHBondContact O-N 3.44Å; I929-V932 PolarHBondContact O-N 3.4Å; I929-L933 HydrophobicContact CG2-CD1 3.66Å; I929-L933 HydrophobicContact CG2-CG 4.22Å; I929-L933 WeakPolarHBondContact O-CB 3.22Å; I929-L933 VanDerWaalsContact O-CG 3.25Å; I929-L933 WeakPolarHBondContact O-CG 3.4Å; I929-L933 PolarHBondContact O-N 2.87Å; I929-F947 HydrophobicContact CG2-CB 4.4Å; I929-F947 HydrophobicContact CG2-CD1 4.2Å; I929-F947 HydrophobicContact CG2-CG 4.23Å |
| 930 | H | 90.6 | Very high | 89.1 | Confident | 83 Ų | 83 | 63.5 Ų | 63.5 | 38% | 0.384 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 178.2 | -69.3 | -47.8 | 0 | 0 | 0 | 112.7 | V926 A927 L933 H934 F947 | V926-H930 VanDerWaalsContact CG1-NE2 3.27Å; V926-H930 WeakPolarHBondContact CG1-NE2 3.47Å; V926-H930 PolarHBondContact O-N 3.06Å; A927-H930 PolarHBondContact O-N 3.26Å; H930-L933 PolarHBondContact O-N 3.31Å; H930-H934 VanDerWaalsContact O-CB 3.23Å; H930-H934 WeakPolarHBondContact O-CB 3.49Å; H930-H934 PolarHBondContact O-N 3.11Å; H930-F947 PolarHBondContact CE1-O 3.39Å; H930-F947 VanDerWaalsContact CE1-O 3.27Å |
| 931 | S | 91.9 | Very high | 89.4 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 176.7 | -175 | 0 | 0 | 0 | 0 | 112 | A927 P928 I929 H934 K935 | A927-S931 PolarHBondContact O-N 3.33Å; P928-S931 PolarHBondContact O-N 3.4Å; I929-S931 VanDerWaalsContact C-N 3.32Å; I929-S931 PolarHBondContact O-N 3.44Å; S931-H934 PolarHBondContact O-N 2.56Å; S931-K935 WeakPolarHBondContact O-CB 3.22Å; S931-K935 PolarHBondContact O-N 3.24Å |
| 932 | V | 92.3 | Very high | 89.7 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 177.9 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | L877 E881 L885 P928 I929 K935 N936 | L877-V932 HydrophobicContact CD1-CG1 4.05Å; L877-V932 HydrophobicContact CD2-CG1 3.49Å; L877-V932 VanDerWaalsContact CD2-CG1 3.49Å; L877-V932 HydrophobicContact CG-CG1 4.43Å; E881-V932 HydrophobicContact CB-CG1 4.03Å; E881-V932 HydrophobicContact CG-CG1 4.15Å; E881-V932 HydrophobicContact CG-CG2 4.36Å; L885-V932 HydrophobicContact CD1-CG1 4.21Å; L885-V932 HydrophobicContact CD2-CB 4.23Å; L885-V932 HydrophobicContact CD2-CG2 4.01Å; P928-V932 VanDerWaalsContact O-CG2 3.3Å; P928-V932 WeakPolarHBondContact O-CG2 3.36Å; P928-V932 PolarHBondContact O-N 3.29Å; I929-V932 PolarHBondContact O-N 3.4Å; V932-K935 PolarHBondContact O-N 3.19Å; V932-N936 PolarHBondContact O-N 2.89Å; V932-N936 PolarHBondContact O-ND2 2.96Å |
| 933 | L | 90.4 | Very high | 89.7 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.9 | -74.5 | 169 | 0 | 0 | 0 | 111.7 | I929 H930 N936 I937 L940 F947 | I929-L933 HydrophobicContact CG2-CD1 3.66Å; I929-L933 HydrophobicContact CG2-CG 4.22Å; I929-L933 WeakPolarHBondContact O-CB 3.22Å; I929-L933 VanDerWaalsContact O-CG 3.25Å; I929-L933 WeakPolarHBondContact O-CG 3.4Å; I929-L933 PolarHBondContact O-N 2.87Å; H930-L933 PolarHBondContact O-N 3.31Å; L933-N936 CarbonylContact O-C 3.55Å; L933-N936 VanDerWaalsContact O-C 3.3Å; L933-N936 PolarHBondContact O-N 3.05Å; L933-I937 WeakPolarHBondContact O-CA 3.2Å; L933-I937 PolarHBondContact O-N 3.19Å; L933-L940 HydrophobicContact CD2-CB 3.94Å; L933-L940 HydrophobicContact CD2-CD1 4.06Å; L933-F947 HydrophobicContact CD1-CB 3.94Å; L933-F947 HydrophobicContact CD1-CD2 3.44Å; L933-F947 VanDerWaalsContact CD1-CD2 3.44Å; L933-F947 HydrophobicContact CD1-CE2 4.16Å; L933-F947 HydrophobicContact CD1-CG 3.85Å; L933-F947 HydrophobicContact CD2-CD2 4.05Å; L933-F947 HydrophobicContact CD2-CE2 3.99Å; L933-F947 HydrophobicContact CG-CD2 4.37Å |
| 934 | H | 91.6 | Very high | 89.6 | Confident | 145 Ų | 145 | 62.4 Ų | 62.4 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 178.7 | -179 | -106.7 | 0 | 0 | 0 | 111.8 | H930 S931 N936 I937 | H930-H934 VanDerWaalsContact O-CB 3.23Å; H930-H934 WeakPolarHBondContact O-CB 3.49Å; H930-H934 PolarHBondContact O-N 3.11Å; S931-H934 PolarHBondContact O-N 2.56Å; H934-N936 VanDerWaalsContact C-N 3.26Å; H934-N936 PolarHBondContact O-N 3.1Å; H934-I937 WeakPolarHBondContact O-CB 3.46Å; H934-I937 PolarHBondContact O-N 3.49Å |
| 935 | K | 93.4 | Very high | 89.4 | Confident | 140 Ų | 140 | 62.7 Ų | 62.7 | 61% | 0.609 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.4 | -31.7 | 176 | -175.9 | -178.4 | 168.2 | -146 | 0 | 112.8 | E881 S931 V932 | E881-K935 WeakPolarHBondContact OE1-CD 3.46Å; E881-K935 WeakPolarHBondContact OE1-CE 3.47Å; E881-K935 IonicContact OE1-NZ 3.25Å; E881-K935 PolarHBondContact OE1-NZ 3.3Å; S931-K935 WeakPolarHBondContact O-CB 3.22Å; S931-K935 PolarHBondContact O-N 3.24Å; V932-K935 PolarHBondContact O-N 3.19Å |
| 936 | N | 91.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 10% | 0.096 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 32 | -178.2 | -65.6 | -81.3 | 0 | 0 | 0 | 112.1 | E881 V932 L933 H934 D938 R939 L940 | E881-N936 PolarHBondContact OE1-ND2 3.13Å; V932-N936 PolarHBondContact O-N 2.89Å; V932-N936 PolarHBondContact O-ND2 2.96Å; L933-N936 CarbonylContact O-C 3.55Å; L933-N936 VanDerWaalsContact O-C 3.3Å; L933-N936 PolarHBondContact O-N 3.05Å; H934-N936 VanDerWaalsContact C-N 3.26Å; H934-N936 PolarHBondContact O-N 3.1Å; N936-D938 WeakPolarHBondContact CA-OD1 3.42Å; N936-D938 PolarHBondContact O-N 3.35Å; N936-R939 PolarHBondContact O-N 3.28Å; N936-L940 HydrophobicContact CB-CD1 3.98Å; N936-L940 HydrophobicContact CB-CG 4.37Å; N936-L940 WeakPolarHBondContact O-CB 3.34Å; N936-L940 PolarHBondContact O-N 3.19Å |
| 937 | I | 92.1 | Very high | 88.8 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 46% | 0.462 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.3 | -28.7 | -172.1 | -161.4 | 69.6 | 0 | 0 | 0 | 112.8 | L933 H934 R939 G941 C944 | L933-I937 WeakPolarHBondContact O-CA 3.2Å; L933-I937 PolarHBondContact O-N 3.19Å; H934-I937 WeakPolarHBondContact O-CB 3.46Å; H934-I937 PolarHBondContact O-N 3.49Å; I937-R939 PolarHBondContact O-N 3.38Å; I937-G941 WeakPolarHBondContact O-CA 3.38Å; I937-G941 PolarHBondContact O-N 2.94Å; I937-C944 WeakPolarHBondContact CD1-SG 3.14Å |
| 938 | D | 91.8 | Very high | 88.2 | Confident | 130 Ų | 130 | 70.6 Ų | 70.6 | 70% | 0.695 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.9 | -30.4 | 175.2 | 62.7 | -44 | 0 | 0 | 0 | 112.6 | N936 | N936-D938 WeakPolarHBondContact CA-OD1 3.42Å; N936-D938 PolarHBondContact O-N 3.35Å |
| 939 | R | 89.8 | Confident | 87.1 | Confident | 113 Ų | 113 | 75.5 Ų | 75.5 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -107.4 | -37.5 | -179.4 | -64 | 172.2 | 69.4 | -158.9 | -1 | 113 | H876 N936 I937 H942 | H876-R939 PolarHBondContact O-NH1 3.5Å; H876-R939 PolarHBondContact O-NH2 3.17Å; N936-R939 PolarHBondContact O-N 3.28Å; I937-R939 PolarHBondContact O-N 3.38Å; R939-H942 PolarHBondContact O-CE1 3.36Å; R939-H942 PolarHBondContact O-ND1 2.77Å |
| 940 | L | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -104.4 | 2.2 | -171.4 | -65.7 | 176.8 | 0 | 0 | 0 | 114.3 | A873 H876 L877 L933 N936 H942 L943 | A873-L940 HydrophobicContact CB-CD1 4.2Å; A873-L940 HydrophobicContact CB-CD2 4.23Å; H876-L940 HydrophobicContact CB-CD2 3.83Å; H876-L940 HydrophobicContact CB-CG 4.42Å; L877-L940 HydrophobicContact CD2-CD1 3.62Å; L877-L940 HydrophobicContact CG-CD1 4.28Å; L933-L940 HydrophobicContact CD2-CB 3.94Å; L933-L940 HydrophobicContact CD2-CD1 4.06Å; N936-L940 HydrophobicContact CB-CD1 3.98Å; N936-L940 HydrophobicContact CB-CG 4.37Å; N936-L940 WeakPolarHBondContact O-CB 3.34Å; N936-L940 PolarHBondContact O-N 3.19Å; L940-H942 PolarHBondContact O-N 3.48Å; L940-H942 VanDerWaalsContact O-N 3.1Å; L940-L943 HydrophobicContact CD2-CD1 3.99Å; L940-L943 PolarHBondContact O-N 3.35Å |
| 941 | G | 87.6 | Confident | 86.8 | Confident | 33 Ų | 33 | 78.9 Ų | 78.9 | 34% | 0.34 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -54.8 | -32.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I937 L943 C944 | I937-G941 WeakPolarHBondContact O-CA 3.38Å; I937-G941 PolarHBondContact O-N 2.94Å; G941-L943 PolarHBondContact O-N 3.19Å; G941-C944 PolarHBondContact O-N 3.26Å |
| 942 | H | 87.8 | Confident | 86.6 | Confident | 117 Ų | 117 | 78.8 Ų | 78.8 | 54% | 0.542 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -68.9 | -16.7 | 176.8 | 67.2 | -80.8 | 0 | 0 | 0 | 114.1 | R939 L940 W945 | R939-H942 PolarHBondContact O-CE1 3.36Å; R939-H942 PolarHBondContact O-ND1 2.77Å; L940-H942 PolarHBondContact O-N 3.48Å; L940-H942 VanDerWaalsContact O-N 3.1Å; H942-W945 PolarHBondContact O-NE1 3.43Å |
| 943 | L | 85.9 | Confident | 86.2 | Confident | 22 Ų | 22 | 82.9 Ų | 82.9 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -98.4 | -6.1 | 177.7 | -60.9 | 178.9 | 0 | 0 | 0 | 113.2 | L940 G941 W945 R946 F947 | L940-L943 HydrophobicContact CD2-CD1 3.99Å; L940-L943 PolarHBondContact O-N 3.35Å; G941-L943 PolarHBondContact O-N 3.19Å; L943-W945 PolarHBondContact O-N 3.13Å; L943-W945 VanDerWaalsContact O-N 3.14Å; L943-R946 WeakPolarHBondContact O-CB 3.14Å; L943-R946 PolarHBondContact O-N 2.95Å; L943-F947 HydrophobicContact CB-CE2 3.87Å; L943-F947 WeakPolarHBondContact O-CD2 3.29Å |
| 944 | C | 83.3 | Confident | 86 | Confident | 41 Ų | 41 | 87.5 Ų | 87.5 | 28% | 0.277 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -57.6 | -32.9 | -175.1 | -72.4 | 0 | 0 | 0 | 0 | 114.3 | I937 G941 R946 F947 | I937-C944 WeakPolarHBondContact CD1-SG 3.14Å; G941-C944 PolarHBondContact O-N 3.26Å; C944-R946 VanDerWaalsContact C-N 3.26Å; C944-R946 PolarHBondContact O-N 3.28Å; C944-F947 PolarHBondContact O-N 3.22Å |
| 945 | W | 83 | Confident | 85.6 | Confident | 167 Ų | 167 | 83.7 Ų | 83.7 | 63% | 0.633 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -67.9 | -25.3 | 177.1 | 66.3 | -89.4 | 0 | 0 | 0 | 112.9 | H942 L943 F947 | H942-W945 PolarHBondContact O-NE1 3.43Å; L943-W945 PolarHBondContact O-N 3.13Å; L943-W945 VanDerWaalsContact O-N 3.14Å; W945-F947 PolarHBondContact O-N 2.93Å |
| 946 | R | 81.3 | Confident | 85 | Confident | 97 Ų | 97 | 79.6 Ų | 79.6 | 37% | 0.366 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -72.3 | -17.4 | -177.9 | -163.5 | 69.2 | -179.2 | 117.5 | 2.6 | 113.1 | N869 L943 C944 | N869-R946 HydrophobicContact CB-CG 4.14Å; N869-R946 PolarHBondContact ND2-NE 3.35Å; N869-R946 PolarHBondContact ND2-NH1 3.13Å; N869-R946 PolarHBondContact ND2-NH2 2.78Å; N869-R946 PolarHBondContact OD1-NH2 2.93Å; L943-R946 WeakPolarHBondContact O-CB 3.14Å; L943-R946 PolarHBondContact O-N 2.95Å; C944-R946 VanDerWaalsContact C-N 3.26Å; C944-R946 PolarHBondContact O-N 3.28Å |
| 947 | F | 81.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -113.2 | 18.3 | -174 | -57 | -69.9 | 0 | 0 | 0 | 113.5 | V866 N869 V870 I929 H930 L933 L943 C944 W945 | V866-F947 HydrophobicContact CG1-CB 4.34Å; V866-F947 HydrophobicContact CG1-CD1 4.48Å; N869-F947 HydrophobicContact CB-CD1 4.46Å; N869-F947 HydrophobicContact CB-CE1 3.79Å; N869-F947 HydrophobicContact CB-CZ 4.45Å; V870-F947 HydrophobicContact CB-CE1 4.45Å; I929-F947 HydrophobicContact CG2-CB 4.4Å; I929-F947 HydrophobicContact CG2-CD1 4.2Å; I929-F947 HydrophobicContact CG2-CG 4.23Å; H930-F947 PolarHBondContact CE1-O 3.39Å; H930-F947 VanDerWaalsContact CE1-O 3.27Å; L933-F947 HydrophobicContact CD1-CB 3.94Å; L933-F947 HydrophobicContact CD1-CD2 3.44Å; L933-F947 VanDerWaalsContact CD1-CD2 3.44Å; L933-F947 HydrophobicContact CD1-CE2 4.16Å; L933-F947 HydrophobicContact CD1-CG 3.85Å; L933-F947 HydrophobicContact CD2-CD2 4.05Å; L933-F947 HydrophobicContact CD2-CE2 3.99Å; L933-F947 HydrophobicContact CG-CD2 4.37Å; L943-F947 HydrophobicContact CB-CE2 3.87Å; L943-F947 WeakPolarHBondContact O-CD2 3.29Å; C944-F947 PolarHBondContact O-N 3.22Å; W945-F947 PolarHBondContact O-N 2.93Å |
| 948 | Q | 76.4 | Confident | 83.9 | Confident | 139 Ų | 139 | 83.9 Ų | 83.9 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | trans | -76.7 | 138 | 171.7 | -65.7 | -179.2 | -12.3 | 0 | 0 | 109.8 | V866 | V866-Q948 WeakPolarHBondContact CG2-O 3Š| ||
| 949 | L | 67.4 | Low | 83.2 | Confident | 148 Ų | 148 | 79.7 Ų | 79.7 | 78% | 0.775 | 38% | 0.375 | S | S | * | . | trans | -69.6 | 0 | -178.9 | -84.8 | 165 | 0 | 0 | 0 | 112.9 | V866 V922 V926 | V866-L949 HydrophobicContact CG2-CD2 4.41Å; V922-L949 HydrophobicContact CB-CD2 4.29Å; V922-L949 HydrophobicContact CG1-CD2 4.33Å; V926-L949 HydrophobicContact CG2-CD2 3.99Å; V926-L949 HydrophobicContact CG2-CG 4.41Å |
Retrieved 949 of 949 residues in 949.8 ms
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