| 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 | 48.4 | Very low | 50 | Low | 209 Ų | 209 | 141.1 Ų | 141.1 | 100% | 1.03 | 66% | 0.657 | S | S | * | * | 0 | -18 | 0 | -121.6 | 176.1 | -96.6 | 0 | 0 | 113.6 | |||||
| 2 | Q | 48.1 | Very low | 50.5 | Low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81.2 | -33.8 | 174.4 | -146.7 | 104.8 | 14.5 | 0 | 0 | 113.7 | F4 | Q2-F4 VanDerWaalsContact C-N 3.32Å; Q2-F4 PolarHBondContact O-N 3.05Å |
| 3 | K | 46.4 | Very low | 50.8 | Low | 184 Ų | 184 | 136.5 Ų | 136.5 | 80% | 0.8 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.2 | -14.5 | -178.7 | -71.2 | -168.5 | 174.5 | -173.1 | 0 | 115.6 | ||
| 4 | F | 43.3 | Very low | 51.3 | Low | 156 Ų | 156 | 138.3 Ų | 138.3 | 68% | 0.684 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -85.9 | -31.5 | 176.8 | -96.2 | -88.5 | 0 | 0 | 0 | 111.7 | Q2 D8 | Q2-F4 VanDerWaalsContact C-N 3.32Å; Q2-F4 PolarHBondContact O-N 3.05Å; F4-D8 PolarHBondContact O-N 2.93Å; F4-D8 VanDerWaalsContact O-N 3.12Å |
| 5 | I | 51.5 | Low | 51.7 | Low | 111 Ų | 111 | 139.3 Ų | 139.3 | 57% | 0.569 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.9 | -33.1 | -178.2 | -58.3 | 172 | 0 | 0 | 0 | 111.3 | Y9 | I5-Y9 PolarHBondContact O-N 3.46Å |
| 6 | E | 50.1 | Low | 52.1 | Low | 122 Ų | 122 | 141.9 Ų | 141.9 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.1 | -38.5 | 175.7 | -128.6 | 166.7 | -173.2 | 0 | 0 | 111.4 | Y9 Y10 | E6-Y9 PolarHBondContact O-N 3.41Å; E6-Y10 HydrophobicContact CG-CE2 4.11Å; E6-Y10 WeakPolarHBondContact O-CD2 3.05Å; E6-Y10 PolarHBondContact O-N 3.08Å; E6-Y10 VanDerWaalsContact O-N 3.09Å |
| 7 | A | 52.8 | Low | 52.5 | Low | 50 Ų | 50 | 141.1 Ų | 141.1 | 41% | 0.413 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y9 Y10 E11 | A7-Y9 VanDerWaalsContact C-N 3.26Å; A7-Y9 PolarHBondContact O-N 3.28Å; A7-Y10 PolarHBondContact O-N 2.99Å; A7-E11 VanDerWaalsContact O-CB 3.27Å; A7-E11 WeakPolarHBondContact O-CB 3.33Å; A7-E11 PolarHBondContact O-N 3.13Å |
| 8 | D | 52.2 | Low | 52.9 | Low | 83 Ų | 83 | 138.2 Ų | 138.2 | 44% | 0.444 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66 | -28.2 | 177.7 | -65.7 | -13.2 | 0 | 0 | 0 | 112.3 | F4 L12 | F4-D8 PolarHBondContact O-N 2.93Å; F4-D8 VanDerWaalsContact O-N 3.12Å; D8-L12 WeakPolarHBondContact O-CB 3.18Å; D8-L12 PolarHBondContact O-N 3.41Å; D8-L12 VanDerWaalsContact O-N 3.1Å |
| 9 | Y | 49.8 | Very low | 53.2 | Low | 177 Ų | 177 | 134.2 Ų | 134.2 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.1 | -40.9 | 175.4 | -122.7 | -88.8 | 0 | 0 | 0 | 112.4 | I5 E6 A7 D13 | I5-Y9 PolarHBondContact O-N 3.46Å; E6-Y9 PolarHBondContact O-N 3.41Å; A7-Y9 VanDerWaalsContact C-N 3.26Å; A7-Y9 PolarHBondContact O-N 3.28Å; Y9-D13 PolarHBondContact O-N 2.94Å; Y9-D13 VanDerWaalsContact O-N 3.16Å |
| 10 | Y | 52.1 | Low | 53.6 | Low | 168 Ų | 168 | 130.7 Ų | 130.7 | 66% | 0.659 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.2 | -33.1 | 173.9 | -75.4 | -66.5 | 0 | 0 | 0 | 112.3 | E6 A7 W14 | E6-Y10 HydrophobicContact CG-CE2 4.11Å; E6-Y10 WeakPolarHBondContact O-CD2 3.05Å; E6-Y10 PolarHBondContact O-N 3.08Å; E6-Y10 VanDerWaalsContact O-N 3.09Å; A7-Y10 PolarHBondContact O-N 2.99Å; Y10-W14 VanDerWaalsContact O-CB 3.27Å; Y10-W14 WeakPolarHBondContact O-CB 3.17Å; Y10-W14 PolarHBondContact O-N 2.84Å |
| 11 | E | 54.9 | Low | 54 | Low | 125 Ų | 125 | 129.4 Ų | 129.4 | 58% | 0.584 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.6 | -32.6 | 178.1 | -156.5 | 168.7 | -147.9 | 0 | 0 | 111.7 | A7 Y15 | A7-E11 VanDerWaalsContact O-CB 3.27Å; A7-E11 WeakPolarHBondContact O-CB 3.33Å; A7-E11 PolarHBondContact O-N 3.13Å; E11-Y15 WeakPolarHBondContact O-CB 3.35Å; E11-Y15 PolarHBondContact O-N 2.94Å |
| 12 | L | 55.9 | Low | 54.9 | Low | 116 Ų | 116 | 123.5 Ų | 123.5 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.7 | -41.8 | 171.8 | -114.9 | 76.1 | 0 | 0 | 0 | 113.4 | D8 W14 Y15 Y16 | D8-L12 WeakPolarHBondContact O-CB 3.18Å; D8-L12 PolarHBondContact O-N 3.41Å; D8-L12 VanDerWaalsContact O-N 3.1Å; L12-W14 VanDerWaalsContact C-N 3.35Å; L12-Y15 PolarHBondContact O-N 3.26Å; L12-Y16 WeakPolarHBondContact O-CB 3.49Å; L12-Y16 PolarHBondContact O-N 3.23Å |
| 13 | D | 55.1 | Low | 55.6 | Low | 107 Ų | 107 | 120.4 Ų | 120.4 | 57% | 0.572 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.9 | -41.8 | 175.6 | -111.4 | 7.5 | 0 | 0 | 0 | 110.4 | Y9 Y15 Y16 E17 | Y9-D13 PolarHBondContact O-N 2.94Å; Y9-D13 VanDerWaalsContact O-N 3.16Å; D13-Y15 VanDerWaalsContact C-N 3.33Å; D13-Y15 PolarHBondContact O-N 2.82Å; D13-Y16 PolarHBondContact O-N 2.99Å; D13-E17 VanDerWaalsContact O-CB 3.3Å; D13-E17 WeakPolarHBondContact O-CB 3.49Å; D13-E17 PolarHBondContact O-N 2.87Å |
| 14 | W | 57.6 | Low | 56.8 | Low | 161 Ų | 161 | 114 Ų | 114 | 61% | 0.61 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.2 | -38.6 | 175.2 | -155.6 | 78.3 | 0 | 0 | 0 | 111.9 | Y10 L12 E18 | Y10-W14 VanDerWaalsContact O-CB 3.27Å; Y10-W14 WeakPolarHBondContact O-CB 3.17Å; Y10-W14 PolarHBondContact O-N 2.84Å; L12-W14 VanDerWaalsContact C-N 3.35Å; W14-E18 WeakPolarHBondContact CZ3-OE2 3.38Å; W14-E18 VanDerWaalsContact O-CB 3.23Å; W14-E18 WeakPolarHBondContact O-CB 3.38Å; W14-E18 PolarHBondContact O-N 3.49Å |
| 15 | Y | 57.5 | Low | 58.1 | Low | 153 Ų | 153 | 109.7 Ų | 109.7 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.6 | -36.1 | 174.2 | -129.3 | -90.4 | 0 | 0 | 0 | 112.8 | E11 L12 D13 C19 | E11-Y15 WeakPolarHBondContact O-CB 3.35Å; E11-Y15 PolarHBondContact O-N 2.94Å; L12-Y15 PolarHBondContact O-N 3.26Å; D13-Y15 VanDerWaalsContact C-N 3.33Å; D13-Y15 PolarHBondContact O-N 2.82Å; Y15-C19 WeakPolarHBondContact O-CB 3.37Å; Y15-C19 PolarHBondContact O-N 3.46Å; Y15-C19 PolarHBondContact O-SG 2.7Å |
| 16 | Y | 58.3 | Low | 59 | Low | 181 Ų | 181 | 109.4 Ų | 109.4 | 71% | 0.71 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.1 | -38.4 | 176 | -110.6 | -90.7 | 0 | 0 | 0 | 112 | L12 D13 S20 | L12-Y16 WeakPolarHBondContact O-CB 3.49Å; L12-Y16 PolarHBondContact O-N 3.23Å; D13-Y16 PolarHBondContact O-N 2.99Å; Y16-S20 WeakPolarHBondContact O-CB 3.43Å; Y16-S20 PolarHBondContact O-N 2.84Å |
| 17 | E | 58.8 | Low | 60.2 | Low | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.7 | -42.4 | 177.5 | -157.1 | 157.8 | -148.1 | 0 | 0 | 110.8 | D13 S20 D21 | D13-E17 VanDerWaalsContact O-CB 3.3Å; D13-E17 WeakPolarHBondContact O-CB 3.49Å; D13-E17 PolarHBondContact O-N 2.87Å; E17-S20 PolarHBondContact O-N 3.45Å; E17-D21 VanDerWaalsContact O-CB 3.31Å; E17-D21 WeakPolarHBondContact O-CB 3.2Å; E17-D21 PolarHBondContact O-N 2.83Å |
| 18 | E | 59.6 | Low | 61.2 | Low | 90 Ų | 90 | 112.6 Ų | 112.6 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 173.9 | -167.1 | 172.4 | -149.5 | 0 | 0 | 112.1 | W14 D21 V22 | W14-E18 WeakPolarHBondContact CZ3-OE2 3.38Å; W14-E18 VanDerWaalsContact O-CB 3.23Å; W14-E18 WeakPolarHBondContact O-CB 3.38Å; W14-E18 PolarHBondContact O-N 3.49Å; E18-D21 PolarHBondContact O-N 2.82Å; E18-V22 VanDerWaalsContact O-CB 3.31Å; E18-V22 WeakPolarHBondContact O-CB 3.44Å; E18-V22 WeakPolarHBondContact O-CG2 3.39Å; E18-V22 PolarHBondContact O-N 3.49Å |
| 19 | C | 58.6 | Low | 62.2 | Low | 62 Ų | 62 | 110.4 Ų | 110.4 | 42% | 0.419 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 172.5 | -76.7 | 0 | 0 | 0 | 0 | 112.3 | Y15 L23 | Y15-C19 WeakPolarHBondContact O-CB 3.37Å; Y15-C19 PolarHBondContact O-N 3.46Å; Y15-C19 PolarHBondContact O-SG 2.7Å; C19-L23 VanDerWaalsContact O-CB 3.3Å; C19-L23 WeakPolarHBondContact O-CB 3.11Å; C19-L23 WeakPolarHBondContact O-CG 3.4Å; C19-L23 PolarHBondContact O-N 3.5Å |
| 20 | S | 61.1 | Low | 63.1 | Low | 63 Ų | 63 | 107.4 Ų | 107.4 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 173.5 | -179 | 0 | 0 | 0 | 0 | 110.8 | Y16 E17 L23 C24 | Y16-S20 WeakPolarHBondContact O-CB 3.43Å; Y16-S20 PolarHBondContact O-N 2.84Å; E17-S20 PolarHBondContact O-N 3.45Å; S20-L23 PolarHBondContact O-N 3.47Å; S20-C24 VanDerWaalsContact O-CB 3.23Å; S20-C24 WeakPolarHBondContact O-CB 3.3Å; S20-C24 PolarHBondContact O-N 2.7Å; S20-C24 PolarHBondContact O-SG 3.07Å |
| 21 | D | 62 | Low | 63.8 | Low | 105 Ų | 105 | 103.5 Ų | 103.5 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 177.2 | -81.2 | -8.8 | 0 | 0 | 0 | 112.1 | E17 E18 C24 A25 | E17-D21 VanDerWaalsContact O-CB 3.31Å; E17-D21 WeakPolarHBondContact O-CB 3.2Å; E17-D21 PolarHBondContact O-N 2.83Å; E18-D21 PolarHBondContact O-N 2.82Å; D21-C24 PolarHBondContact O-N 3.33Å; D21-A25 WeakPolarHBondContact O-CB 3.26Å; D21-A25 PolarHBondContact O-N 3.02Å |
| 22 | V | 66.7 | Low | 64.5 | Low | 85 Ų | 85 | 100.7 Ų | 100.7 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 175 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | E18 A25 E26 | E18-V22 VanDerWaalsContact O-CB 3.31Å; E18-V22 WeakPolarHBondContact O-CB 3.44Å; E18-V22 WeakPolarHBondContact O-CG2 3.39Å; E18-V22 PolarHBondContact O-N 3.49Å; V22-A25 PolarHBondContact O-N 3.15Å; V22-E26 WeakPolarHBondContact O-CB 3.2Å; V22-E26 PolarHBondContact O-N 3.42Å |
| 23 | L | 63.8 | Low | 65.2 | Low | 101 Ų | 101 | 102.8 Ų | 102.8 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.4 | -33.4 | 175.3 | -72.1 | 170.9 | 0 | 0 | 0 | 112.2 | C19 S20 R27 | C19-L23 VanDerWaalsContact O-CB 3.3Å; C19-L23 WeakPolarHBondContact O-CB 3.11Å; C19-L23 WeakPolarHBondContact O-CG 3.4Å; C19-L23 PolarHBondContact O-N 3.5Å; S20-L23 PolarHBondContact O-N 3.47Å; L23-R27 WeakPolarHBondContact O-CB 3.46Å; L23-R27 PolarHBondContact O-N 3.26Å |
| 24 | C | 70.4 | Confident | 65.7 | Low | 51 Ų | 51 | 100.3 Ų | 100.3 | 35% | 0.345 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71 | -42 | 172.8 | -70.7 | 0 | 0 | 0 | 0 | 111.1 | S20 D21 R27 V28 | S20-C24 VanDerWaalsContact O-CB 3.23Å; S20-C24 WeakPolarHBondContact O-CB 3.3Å; S20-C24 PolarHBondContact O-N 2.7Å; S20-C24 PolarHBondContact O-SG 3.07Å; D21-C24 PolarHBondContact O-N 3.33Å; C24-R27 PolarHBondContact O-N 2.99Å; C24-V28 WeakPolarHBondContact O-CB 3.15Å; C24-V28 WeakPolarHBondContact O-CG2 3.31Å; C24-V28 PolarHBondContact O-N 3.5Å |
| 25 | A | 70.6 | Confident | 66.3 | Low | 65 Ų | 65 | 100 Ų | 100 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D21 V22 G29 | D21-A25 WeakPolarHBondContact O-CB 3.26Å; D21-A25 PolarHBondContact O-N 3.02Å; V22-A25 PolarHBondContact O-N 3.15Å; A25-G29 WeakPolarHBondContact O-CA 3.42Å; A25-G29 PolarHBondContact O-N 3.3Å |
| 26 | E | 71.6 | Confident | 67.3 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 173.9 | -175.1 | 175.2 | -165.8 | 0 | 0 | 111.3 | V22 G29 Q30 | V22-E26 WeakPolarHBondContact O-CB 3.2Å; V22-E26 PolarHBondContact O-N 3.42Å; E26-G29 PolarHBondContact O-N 3.21Å; E26-Q30 VanDerWaalsContact O-CB 3.31Å; E26-Q30 WeakPolarHBondContact O-CB 3.33Å; E26-Q30 WeakPolarHBondContact O-CG 3.35Å; E26-Q30 PolarHBondContact O-N 2.79Å |
| 27 | R | 74.3 | Confident | 68.7 | Low | 156 Ų | 156 | 93.5 Ų | 93.5 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -46.1 | 173 | -174.5 | -170.6 | -53.2 | 173.1 | 5.5 | 111.5 | L23 C24 G29 Q30 M31 | L23-R27 WeakPolarHBondContact O-CB 3.46Å; L23-R27 PolarHBondContact O-N 3.26Å; C24-R27 PolarHBondContact O-N 2.99Å; R27-G29 VanDerWaalsContact C-N 3.33Å; R27-Q30 PolarHBondContact O-N 2.9Å; R27-M31 HydrophobicContact CG-SD 4.43Å; R27-M31 VanDerWaalsContact O-CB 3.32Å; R27-M31 WeakPolarHBondContact O-CB 3.49Å; R27-M31 WeakPolarHBondContact O-CG 3.49Å; R27-M31 PolarHBondContact O-N 3.21Å |
| 28 | V | 73.9 | Confident | 69.9 | Low | 82 Ų | 82 | 93.5 Ų | 93.5 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | C24 M31 T32 | C24-V28 WeakPolarHBondContact O-CB 3.15Å; C24-V28 WeakPolarHBondContact O-CG2 3.31Å; C24-V28 PolarHBondContact O-N 3.5Å; V28-M31 PolarHBondContact O-N 2.85Å; V28-T32 VanDerWaalsContact O-CB 3.27Å; V28-T32 WeakPolarHBondContact O-CB 3.23Å; V28-T32 PolarHBondContact O-N 3.34Å; V28-T32 PolarHBondContact O-OG1 3.46Å |
| 29 | G | 72.9 | Confident | 71.3 | Confident | 38 Ų | 38 | 94.5 Ų | 94.5 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A25 E26 R27 T32 K33 | A25-G29 WeakPolarHBondContact O-CA 3.42Å; A25-G29 PolarHBondContact O-N 3.3Å; E26-G29 PolarHBondContact O-N 3.21Å; R27-G29 VanDerWaalsContact C-N 3.33Å; G29-T32 PolarHBondContact O-N 3.15Å; G29-K33 WeakPolarHBondContact O-CB 3.39Å; G29-K33 PolarHBondContact O-N 2.81Å |
| 30 | Q | 69.9 | Low | 72.6 | Confident | 114 Ų | 114 | 92.1 Ų | 92.1 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 171.1 | -78.6 | 178.6 | 12.7 | 0 | 0 | 111.1 | E26 R27 T32 K33 T34 | E26-Q30 VanDerWaalsContact O-CB 3.31Å; E26-Q30 WeakPolarHBondContact O-CB 3.33Å; E26-Q30 WeakPolarHBondContact O-CG 3.35Å; E26-Q30 PolarHBondContact O-N 2.79Å; R27-Q30 PolarHBondContact O-N 2.9Å; Q30-T32 PolarHBondContact O-N 2.82Å; Q30-K33 PolarHBondContact O-N 2.94Å; Q30-T34 PolarHBondContact O-N 3.44Å; Q30-T34 PolarHBondContact O-OG1 3.04Å |
| 31 | M | 66.8 | Low | 73.9 | Confident | 86 Ų | 86 | 91.1 Ų | 91.1 | 42% | 0.424 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 173.3 | -77.8 | -179.9 | 64.2 | 0 | 0 | 110.9 | R27 V28 K33 T34 Y35 | R27-M31 HydrophobicContact CG-SD 4.43Å; R27-M31 VanDerWaalsContact O-CB 3.32Å; R27-M31 WeakPolarHBondContact O-CB 3.49Å; R27-M31 WeakPolarHBondContact O-CG 3.49Å; R27-M31 PolarHBondContact O-N 3.21Å; V28-M31 PolarHBondContact O-N 2.85Å; M31-K33 VanDerWaalsContact C-N 3.32Å; M31-K33 PolarHBondContact O-N 3.11Å; M31-T34 VanDerWaalsContact C-OG1 3.31Å; M31-T34 VanDerWaalsContact CA-OG1 3.31Å; M31-T34 WeakPolarHBondContact CA-OG1 3.29Å; M31-T34 PolarHBondContact O-N 3.02Å; M31-T34 PolarHBondContact O-OG1 2.93Å; M31-Y35 HydrophobicContact CB-CD2 4.46Å; M31-Y35 HydrophobicContact CB-CE2 4.16Å; M31-Y35 HydrophobicContact CE-CE2 4.09Å; M31-Y35 WeakPolarHBondContact O-CD2 3.47Å; M31-Y35 PolarHBondContact O-N 3.21Å |
| 32 | T | 68.4 | Low | 75.1 | Confident | 66 Ų | 66 | 88.9 Ų | 88.9 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 179.5 | -53.7 | 0 | 0 | 0 | 0 | 111 | V28 G29 Q30 Y35 N36 | V28-T32 VanDerWaalsContact O-CB 3.27Å; V28-T32 WeakPolarHBondContact O-CB 3.23Å; V28-T32 PolarHBondContact O-N 3.34Å; V28-T32 PolarHBondContact O-OG1 3.46Å; G29-T32 PolarHBondContact O-N 3.15Å; Q30-T32 PolarHBondContact O-N 2.82Å; T32-Y35 PolarHBondContact O-N 2.94Å; T32-N36 WeakPolarHBondContact O-CB 3.44Å; T32-N36 PolarHBondContact O-N 3.45Å; T32-N36 PolarHBondContact O-ND2 3.44Å |
| 33 | K | 70.6 | Confident | 76.2 | Confident | 160 Ų | 160 | 91.7 Ų | 91.7 | 70% | 0.696 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.2 | -36.1 | 174.7 | -166.4 | 173.5 | -175 | 179 | 0 | 112.3 | G29 Q30 M31 D37 | G29-K33 WeakPolarHBondContact O-CB 3.39Å; G29-K33 PolarHBondContact O-N 2.81Å; Q30-K33 PolarHBondContact O-N 2.94Å; M31-K33 VanDerWaalsContact C-N 3.32Å; M31-K33 PolarHBondContact O-N 3.11Å; K33-D37 PolarHBondContact O-N 2.88Å |
| 34 | T | 67 | Low | 77.6 | Confident | 54 Ų | 54 | 90.9 Ų | 90.9 | 33% | 0.331 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.7 | -32.4 | 170.8 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | Q30 M31 D37 V41 | Q30-T34 PolarHBondContact O-N 3.44Å; Q30-T34 PolarHBondContact O-OG1 3.04Å; M31-T34 VanDerWaalsContact C-OG1 3.31Å; M31-T34 VanDerWaalsContact CA-OG1 3.31Å; M31-T34 WeakPolarHBondContact CA-OG1 3.29Å; M31-T34 PolarHBondContact O-N 3.02Å; M31-T34 PolarHBondContact O-OG1 2.93Å; T34-D37 PolarHBondContact O-N 3.39Å; T34-D37 VanDerWaalsContact O-O 3.05Å; T34-V41 WeakPolarHBondContact O-CG2 3.23Å |
| 35 | Y | 69.8 | Low | 78.6 | Confident | 154 Ų | 154 | 93.8 Ų | 93.8 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71 | -32.8 | 174.1 | -73.5 | -62.1 | 0 | 0 | 0 | 113.1 | M31 T32 D37 V41 | M31-Y35 HydrophobicContact CB-CD2 4.46Å; M31-Y35 HydrophobicContact CB-CE2 4.16Å; M31-Y35 HydrophobicContact CE-CE2 4.09Å; M31-Y35 WeakPolarHBondContact O-CD2 3.47Å; M31-Y35 PolarHBondContact O-N 3.21Å; T32-Y35 PolarHBondContact O-N 2.94Å; Y35-D37 VanDerWaalsContact C-N 3.32Å; Y35-V41 HydrophobicContact CD1-CG2 4.4Å |
| 36 | N | 77.8 | Confident | 79.7 | Confident | 129 Ų | 129 | 95 Ų | 95 | 69% | 0.69 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -77.2 | -18.8 | 176.6 | -68.8 | -34.4 | 0 | 0 | 0 | 113 | T32 | T32-N36 WeakPolarHBondContact O-CB 3.44Å; T32-N36 PolarHBondContact O-N 3.45Å; T32-N36 PolarHBondContact O-ND2 3.44Å |
| 37 | D | 87.8 | Confident | 80.8 | Confident | 69 Ų | 69 | 94.5 Ų | 94.5 | 37% | 0.369 | 47% | 0.473 | S | S | . | . | trans | -96.2 | 95 | 174 | -177.8 | -3.2 | 0 | 0 | 0 | 109.7 | K33 T34 Y35 D39 A40 V41 | K33-D37 PolarHBondContact O-N 2.88Å; T34-D37 PolarHBondContact O-N 3.39Å; T34-D37 VanDerWaalsContact O-O 3.05Å; Y35-D37 VanDerWaalsContact C-N 3.32Å; D37-D39 PolarHBondContact O-N 2.94Å; D37-D39 VanDerWaalsContact O-N 3.16Å; D37-D39 PolarHBondContact OD1-N 2.96Å; D37-D39 VanDerWaalsContact OD1-N 3.13Å; D37-A40 HydrophobicContact CB-CB 3.83Å; D37-A40 WeakPolarHBondContact O-CA 3.37Å; D37-A40 WeakPolarHBondContact O-CB 3.37Å; D37-A40 PolarHBondContact O-N 3.23Å; D37-A40 PolarHBondContact OD1-N 2.97Å; D37-V41 PolarHBondContact O-N 3.4Å | ||
| 38 | I | 84.9 | Confident | 81.7 | Confident | 128 Ų | 128 | 92.6 Ų | 92.6 | 66% | 0.656 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54.9 | -35.1 | -178.5 | -62 | 169.2 | 0 | 0 | 0 | 111.1 | V41 T42 | I38-V41 PolarHBondContact O-N 3.39Å; I38-T42 WeakPolarHBondContact O-CB 3.48Å; I38-T42 PolarHBondContact O-N 3.4Å; I38-T42 PolarHBondContact O-OG1 3.35Å |
| 39 | D | 87.9 | Confident | 82.7 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 59% | 0.594 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -73.3 | -29.2 | 179.4 | -66.1 | -28.8 | 0 | 0 | 0 | 111.9 | D37 R43 | D37-D39 PolarHBondContact O-N 2.94Å; D37-D39 VanDerWaalsContact O-N 3.16Å; D37-D39 PolarHBondContact OD1-N 2.96Å; D37-D39 VanDerWaalsContact OD1-N 3.13Å; D39-R43 WeakPolarHBondContact O-CB 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.37Å; D39-R43 PolarHBondContact O-N 2.81Å; D39-R43 VanDerWaalsContact O-N 3.15Å; D39-R43 PolarHBondContact O-NE 3.43Å |
| 40 | A | 87.1 | Confident | 83.8 | Confident | 12 Ų | 12 | 98.6 Ų | 98.6 | 10% | 0.099 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -73 | -42.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | D37 T42 R43 L44 | D37-A40 HydrophobicContact CB-CB 3.83Å; D37-A40 WeakPolarHBondContact O-CA 3.37Å; D37-A40 WeakPolarHBondContact O-CB 3.37Å; D37-A40 PolarHBondContact O-N 3.23Å; D37-A40 PolarHBondContact OD1-N 2.97Å; A40-T42 VanDerWaalsContact C-N 3.34Å; A40-R43 PolarHBondContact O-N 3.44Å; A40-L44 WeakPolarHBondContact O-CG 3.42Å; A40-L44 PolarHBondContact O-N 2.81Å |
| 41 | V | 88.6 | Confident | 85.2 | Confident | 42 Ų | 42 | 96.7 Ų | 96.7 | 26% | 0.255 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | T34 Y35 D37 I38 R43 L44 L45 | T34-V41 WeakPolarHBondContact O-CG2 3.23Å; Y35-V41 HydrophobicContact CD1-CG2 4.4Å; D37-V41 PolarHBondContact O-N 3.4Å; I38-V41 PolarHBondContact O-N 3.39Å; V41-R43 PolarHBondContact O-N 3.31Å; V41-L44 PolarHBondContact O-N 2.97Å; V41-L45 HydrophobicContact CG1-CD1 4.01Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CG 3.47Å; V41-L45 PolarHBondContact O-N 2.84Å |
| 42 | T | 86.6 | Confident | 86.6 | Confident | 59 Ų | 59 | 98.6 Ų | 98.6 | 36% | 0.362 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | -179.2 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | I38 A40 L44 L45 E46 | I38-T42 WeakPolarHBondContact O-CB 3.48Å; I38-T42 PolarHBondContact O-N 3.4Å; I38-T42 PolarHBondContact O-OG1 3.35Å; A40-T42 VanDerWaalsContact C-N 3.34Å; T42-L44 PolarHBondContact O-N 3.32Å; T42-L45 PolarHBondContact O-N 2.74Å; T42-E46 WeakPolarHBondContact O-CG 3.23Å; T42-E46 PolarHBondContact O-N 3.4Å |
| 43 | R | 90.4 | Very high | 87.9 | Confident | 143 Ų | 143 | 99.9 Ų | 99.9 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 175.1 | -79.1 | 178.7 | -78.4 | 136 | -7.4 | 113.3 | D39 A40 V41 E47 | D39-R43 WeakPolarHBondContact O-CB 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.37Å; D39-R43 PolarHBondContact O-N 2.81Å; D39-R43 VanDerWaalsContact O-N 3.15Å; D39-R43 PolarHBondContact O-NE 3.43Å; A40-R43 PolarHBondContact O-N 3.44Å; V41-R43 PolarHBondContact O-N 3.31Å; R43-E47 WeakPolarHBondContact O-CB 3.4Å; R43-E47 PolarHBondContact O-N 3.01Å |
| 44 | L | 91.6 | Very high | 89.2 | Confident | 85 Ų | 85 | 97.2 Ų | 97.2 | 45% | 0.445 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 175.2 | -79.9 | 167.2 | 0 | 0 | 0 | 112 | A40 V41 T42 E47 K48 | A40-L44 WeakPolarHBondContact O-CG 3.42Å; A40-L44 PolarHBondContact O-N 2.81Å; V41-L44 PolarHBondContact O-N 2.97Å; T42-L44 PolarHBondContact O-N 3.32Å; L44-E47 PolarHBondContact O-N 3.39Å; L44-K48 WeakPolarHBondContact O-CB 3.34Å; L44-K48 VanDerWaalsContact O-CG 3.28Å; L44-K48 WeakPolarHBondContact O-CG 3.45Å; L44-K48 PolarHBondContact O-N 2.91Å |
| 45 | L | 91.7 | Very high | 90.7 | Very high | 112 Ų | 112 | 97.3 Ų | 97.3 | 59% | 0.586 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.1 | -45 | 175.3 | -73.8 | 172.3 | 0 | 0 | 0 | 111.5 | V41 T42 E47 K48 E49 | V41-L45 HydrophobicContact CG1-CD1 4.01Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CG 3.47Å; V41-L45 PolarHBondContact O-N 2.84Å; T42-L45 PolarHBondContact O-N 2.74Å; L45-E47 VanDerWaalsContact C-N 3.29Å; L45-E47 PolarHBondContact O-N 2.84Å; L45-K48 PolarHBondContact O-N 3.29Å; L45-E49 WeakPolarHBondContact O-CB 3.4Å; L45-E49 PolarHBondContact O-N 2.97Å |
| 46 | E | 93.8 | Very high | 92 | Very high | 89 Ų | 89 | 93 Ų | 93 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 174.5 | -70.8 | 173.1 | -174.1 | 0 | 0 | 112.3 | T42 R50 | T42-E46 WeakPolarHBondContact O-CG 3.23Å; T42-E46 PolarHBondContact O-N 3.4Å; E46-R50 WeakPolarHBondContact O-CB 3.37Å; E46-R50 WeakPolarHBondContact O-CG 3.46Å; E46-R50 PolarHBondContact O-N 2.97Å; E46-R50 IonicContact OE2-NH2 2.64Å |
| 47 | E | 94.1 | Very high | 92.9 | Very high | 96 Ų | 96 | 95.3 Ų | 95.3 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 174.1 | -173 | 176.2 | -173.4 | 0 | 0 | 111.9 | R43 L44 L45 R50 D51 | R43-E47 WeakPolarHBondContact O-CB 3.4Å; R43-E47 PolarHBondContact O-N 3.01Å; L44-E47 PolarHBondContact O-N 3.39Å; L45-E47 VanDerWaalsContact C-N 3.29Å; L45-E47 PolarHBondContact O-N 2.84Å; E47-R50 PolarHBondContact O-N 2.97Å; E47-D51 PolarHBondContact O-N 2.88Å |
| 48 | K | 95.1 | Very high | 93.4 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 50% | 0.504 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | 175 | -71.6 | -71.7 | 147.7 | -136.5 | 0 | 112.5 | L44 L45 D51 L52 | L44-K48 WeakPolarHBondContact O-CB 3.34Å; L44-K48 VanDerWaalsContact O-CG 3.28Å; L44-K48 WeakPolarHBondContact O-CG 3.45Å; L44-K48 PolarHBondContact O-N 2.91Å; L45-K48 PolarHBondContact O-N 3.29Å; K48-D51 IonicContact NZ-OD2 2.67Å; K48-D51 PolarHBondContact NZ-OD2 3.03Å; K48-D51 PolarHBondContact O-N 3.13Å; K48-L52 WeakPolarHBondContact O-CB 3.2Å; K48-L52 VanDerWaalsContact O-CG 3.28Å; K48-L52 WeakPolarHBondContact O-CG 3.28Å; K48-L52 PolarHBondContact O-N 3.09Å |
| 49 | E | 94.6 | Very high | 94 | Very high | 113 Ų | 113 | 91.7 Ų | 91.7 | 53% | 0.528 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 172.5 | -174.6 | 172.8 | -163.5 | 0 | 0 | 110.5 | L45 D51 L52 E53 | L45-E49 WeakPolarHBondContact O-CB 3.4Å; L45-E49 PolarHBondContact O-N 2.97Å; E49-D51 PolarHBondContact O-N 3.35Å; E49-L52 PolarHBondContact O-N 3.32Å; E49-E53 WeakPolarHBondContact O-CG 3.07Å; E49-E53 PolarHBondContact O-N 3.4Å |
| 50 | R | 96.4 | Very high | 94.4 | Very high | 132 Ų | 132 | 93.1 Ų | 93.1 | 50% | 0.498 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 173.9 | -79 | -173.1 | -106.6 | 99.9 | 1.6 | 113.3 | E46 E47 E53 L54 | E46-R50 WeakPolarHBondContact O-CB 3.37Å; E46-R50 WeakPolarHBondContact O-CG 3.46Å; E46-R50 PolarHBondContact O-N 2.97Å; E46-R50 IonicContact OE2-NH2 2.64Å; E47-R50 PolarHBondContact O-N 2.97Å; R50-E53 PolarHBondContact O-N 3.46Å; R50-L54 WeakPolarHBondContact O-CB 3.2Å; R50-L54 PolarHBondContact O-N 3.35Å |
| 51 | D | 97.5 | Very high | 94.9 | Very high | 75 Ų | 75 | 95.2 Ų | 95.2 | 40% | 0.401 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.3 | -75.8 | -18.8 | 0 | 0 | 0 | 111.4 | E47 K48 E49 L54 A55 | E47-D51 PolarHBondContact O-N 2.88Å; K48-D51 IonicContact NZ-OD2 2.67Å; K48-D51 PolarHBondContact NZ-OD2 3.03Å; K48-D51 PolarHBondContact O-N 3.13Å; E49-D51 PolarHBondContact O-N 3.35Å; D51-L54 PolarHBondContact O-N 2.93Å; D51-A55 WeakPolarHBondContact O-CB 3.27Å; D51-A55 PolarHBondContact O-N 2.9Å |
| 52 | L | 96.9 | Very high | 95.4 | Very high | 126 Ų | 126 | 98.2 Ų | 98.2 | 66% | 0.66 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -42.6 | 177.5 | -73.8 | 171.9 | 0 | 0 | 0 | 111.6 | K48 E49 L54 A55 A56 | K48-L52 WeakPolarHBondContact O-CB 3.2Å; K48-L52 VanDerWaalsContact O-CG 3.28Å; K48-L52 WeakPolarHBondContact O-CG 3.28Å; K48-L52 PolarHBondContact O-N 3.09Å; E49-L52 PolarHBondContact O-N 3.32Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.18Å; L52-A55 PolarHBondContact O-N 3.12Å; L52-A56 WeakPolarHBondContact O-CB 3.34Å; L52-A56 PolarHBondContact O-N 2.83Å |
| 53 | E | 96.6 | Very high | 95.9 | Very high | 92 Ų | 92 | 101.4 Ų | 101.4 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 173.4 | -74.8 | -178.8 | 179.2 | 0 | 0 | 111.8 | E49 R50 A56 R57 | E49-E53 WeakPolarHBondContact O-CG 3.07Å; E49-E53 PolarHBondContact O-N 3.4Å; R50-E53 PolarHBondContact O-N 3.46Å; E53-A56 PolarHBondContact O-N 3.12Å; E53-R57 WeakPolarHBondContact O-CB 3.27Å; E53-R57 WeakPolarHBondContact O-CG 3.45Å; E53-R57 PolarHBondContact O-N 3.35Å |
| 54 | L | 97.4 | Very high | 96.2 | Very high | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 178.7 | -172.5 | 144 | 0 | 0 | 0 | 111.2 | R50 D51 L52 A56 R57 I58 | R50-L54 WeakPolarHBondContact O-CB 3.2Å; R50-L54 PolarHBondContact O-N 3.35Å; D51-L54 PolarHBondContact O-N 2.93Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.18Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-A56 PolarHBondContact O-N 2.97Å; L54-R57 PolarHBondContact O-N 3.46Å; L54-I58 HydrophobicContact CD2-CD1 3.46Å; L54-I58 VanDerWaalsContact CD2-CD1 3.46Å; L54-I58 HydrophobicContact CD2-CG1 4.26Å; L54-I58 HydrophobicContact CG-CD1 4.37Å; L54-I58 WeakPolarHBondContact O-CG1 3.32Å; L54-I58 PolarHBondContact O-N 2.89Å |
| 55 | A | 97.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D51 L52 I58 G59 | D51-A55 WeakPolarHBondContact O-CB 3.27Å; D51-A55 PolarHBondContact O-N 2.9Å; L52-A55 PolarHBondContact O-N 3.12Å; A55-I58 PolarHBondContact O-N 3.43Å; A55-G59 PolarHBondContact O-N 2.83Å |
| 56 | A | 96.5 | Very high | 96.8 | Very high | 64 Ų | 64 | 103 Ų | 103 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L52 E53 L54 G59 Q60 | L52-A56 WeakPolarHBondContact O-CB 3.34Å; L52-A56 PolarHBondContact O-N 2.83Å; E53-A56 PolarHBondContact O-N 3.12Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-A56 PolarHBondContact O-N 2.97Å; A56-G59 PolarHBondContact O-N 3.03Å; A56-Q60 WeakPolarHBondContact O-CB 3.35Å; A56-Q60 PolarHBondContact O-N 3.34Å |
| 57 | R | 97.4 | Very high | 97 | Very high | 176 Ų | 176 | 104.9 Ų | 104.9 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 175.1 | -79.9 | -175.4 | -175.7 | 164.4 | 7 | 112.7 | E53 L54 G59 Q60 S61 | E53-R57 WeakPolarHBondContact O-CB 3.27Å; E53-R57 WeakPolarHBondContact O-CG 3.45Å; E53-R57 PolarHBondContact O-N 3.35Å; L54-R57 PolarHBondContact O-N 3.46Å; R57-G59 VanDerWaalsContact C-N 3.35Å; R57-Q60 PolarHBondContact O-N 2.84Å; R57-S61 WeakPolarHBondContact O-CB 3.48Å; R57-S61 PolarHBondContact O-N 3.44Å |
| 58 | I | 97.5 | Very high | 97.1 | Very high | 92 Ų | 92 | 103.7 Ų | 103.7 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.8 | -69.8 | 176.4 | 0 | 0 | 0 | 109.6 | L54 A55 Q60 S61 L62 | L54-I58 HydrophobicContact CD2-CD1 3.46Å; L54-I58 VanDerWaalsContact CD2-CD1 3.46Å; L54-I58 HydrophobicContact CD2-CG1 4.26Å; L54-I58 HydrophobicContact CG-CD1 4.37Å; L54-I58 WeakPolarHBondContact O-CG1 3.32Å; L54-I58 PolarHBondContact O-N 2.89Å; A55-I58 PolarHBondContact O-N 3.43Å; I58-Q60 VanDerWaalsContact C-N 3.35Å; I58-Q60 PolarHBondContact O-N 3.38Å; I58-S61 PolarHBondContact O-N 3.4Å; I58-L62 HydrophobicContact CG2-CD1 3.91Å; I58-L62 HydrophobicContact CG2-CG 4.3Å; I58-L62 WeakPolarHBondContact O-CB 3.44Å; I58-L62 WeakPolarHBondContact O-CG 3.39Å; I58-L62 PolarHBondContact O-N 2.88Å |
| 59 | G | 98.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 102.9 Ų | 102.9 | 30% | 0.299 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.3 | -46.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A55 A56 R57 S61 L62 L63 | A55-G59 PolarHBondContact O-N 2.83Å; A56-G59 PolarHBondContact O-N 3.03Å; R57-G59 VanDerWaalsContact C-N 3.35Å; G59-S61 PolarHBondContact O-N 3.06Å; G59-L62 PolarHBondContact O-N 3.43Å; G59-L63 WeakPolarHBondContact O-CB 3.5Å; G59-L63 WeakPolarHBondContact O-CG 3.36Å; G59-L63 PolarHBondContact O-N 3.32Å |
| 60 | Q | 96.8 | Very high | 97.4 | Very high | 141 Ų | 141 | 100 Ų | 100 | 66% | 0.659 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 176.5 | -167.4 | -178.5 | 23.9 | 0 | 0 | 112.3 | A56 R57 I58 L63 K64 | A56-Q60 WeakPolarHBondContact O-CB 3.35Å; A56-Q60 PolarHBondContact O-N 3.34Å; R57-Q60 PolarHBondContact O-N 2.84Å; I58-Q60 VanDerWaalsContact C-N 3.35Å; I58-Q60 PolarHBondContact O-N 3.38Å; Q60-L63 PolarHBondContact O-N 3.16Å; Q60-K64 WeakPolarHBondContact O-CB 3.27Å; Q60-K64 PolarHBondContact O-N 2.91Å |
| 61 | S | 97.8 | Very high | 97.4 | Very high | 57 Ų | 57 | 97.7 Ų | 97.7 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | R57 I58 G59 K64 K65 | R57-S61 WeakPolarHBondContact O-CB 3.48Å; R57-S61 PolarHBondContact O-N 3.44Å; I58-S61 PolarHBondContact O-N 3.4Å; G59-S61 PolarHBondContact O-N 3.06Å; S61-K64 PolarHBondContact O-N 2.89Å; S61-K65 WeakPolarHBondContact O-CG 3.41Å; S61-K65 PolarHBondContact O-N 3.1Å |
| 62 | L | 98.1 | Very high | 97.4 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -44 | 175.9 | -72 | 174.1 | 0 | 0 | 0 | 111.5 | I58 G59 K64 K65 N66 | I58-L62 HydrophobicContact CG2-CD1 3.91Å; I58-L62 HydrophobicContact CG2-CG 4.3Å; I58-L62 WeakPolarHBondContact O-CB 3.44Å; I58-L62 WeakPolarHBondContact O-CG 3.39Å; I58-L62 PolarHBondContact O-N 2.88Å; G59-L62 PolarHBondContact O-N 3.43Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.4Å; L62-K65 PolarHBondContact O-N 3.03Å; L62-N66 WeakPolarHBondContact O-CB 3.47Å; L62-N66 PolarHBondContact O-N 2.96Å |
| 63 | L | 97.7 | Very high | 97.5 | Very high | 126 Ų | 126 | 99.6 Ų | 99.6 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 174.6 | -77.1 | 170 | 0 | 0 | 0 | 111.4 | G59 Q60 K65 N66 K67 | G59-L63 WeakPolarHBondContact O-CB 3.5Å; G59-L63 WeakPolarHBondContact O-CG 3.36Å; G59-L63 PolarHBondContact O-N 3.32Å; Q60-L63 PolarHBondContact O-N 3.16Å; L63-K65 PolarHBondContact O-N 2.97Å; L63-N66 PolarHBondContact O-N 2.93Å; L63-K67 WeakPolarHBondContact O-CB 3.43Å; L63-K67 PolarHBondContact O-N 2.84Å |
| 64 | K | 97.9 | Very high | 97.5 | Very high | 156 Ų | 156 | 100.3 Ų | 100.3 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 176.1 | -171.9 | 173.8 | -177.4 | 175.3 | 0 | 111.6 | Q60 S61 L62 K67 T68 | Q60-K64 WeakPolarHBondContact O-CB 3.27Å; Q60-K64 PolarHBondContact O-N 2.91Å; S61-K64 PolarHBondContact O-N 2.89Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.4Å; K64-K67 PolarHBondContact O-N 3.12Å; K64-T68 WeakPolarHBondContact O-CG2 3.45Å; K64-T68 PolarHBondContact O-N 3.41Å; K64-T68 PolarHBondContact O-OG1 3.35Å |
| 65 | K | 97.9 | Very high | 97.5 | Very high | 122 Ų | 122 | 100.1 Ų | 100.1 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.9 | -75.5 | 174.9 | -178.1 | 170.8 | 0 | 111.9 | S61 L62 L63 T68 L69 | S61-K65 WeakPolarHBondContact O-CG 3.41Å; S61-K65 PolarHBondContact O-N 3.1Å; L62-K65 PolarHBondContact O-N 3.03Å; L63-K65 PolarHBondContact O-N 2.97Å; K65-T68 WeakPolarHBondContact CA-OG1 3.3Å; K65-T68 PolarHBondContact O-N 2.66Å; K65-T68 PolarHBondContact O-OG1 3.15Å; K65-L69 WeakPolarHBondContact O-CB 3.48Å; K65-L69 VanDerWaalsContact O-CG 3.31Å; K65-L69 WeakPolarHBondContact O-CG 3.28Å; K65-L69 PolarHBondContact O-N 3.42Å |
| 66 | N | 96.9 | Very high | 97.5 | Very high | 96 Ų | 96 | 100.9 Ų | 100.9 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 178.3 | -165.1 | -90.5 | 0 | 0 | 0 | 110.6 | L62 L63 T68 L69 T70 | L62-N66 WeakPolarHBondContact O-CB 3.47Å; L62-N66 PolarHBondContact O-N 2.96Å; L63-N66 PolarHBondContact O-N 2.93Å; N66-T68 PolarHBondContact O-N 2.89Å; N66-L69 CarbonylContact O-C 3.59Å; N66-L69 WeakPolarHBondContact O-CA 3.35Å; N66-L69 WeakPolarHBondContact O-CB 3.44Å; N66-L69 PolarHBondContact O-N 3.21Å; N66-T70 PolarHBondContact O-N 3.33Å; N66-T70 PolarHBondContact O-OG1 3.45Å |
| 67 | K | 97.9 | Very high | 97.6 | Very high | 129 Ų | 129 | 103.8 Ų | 103.8 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.6 | -46.2 | 173.2 | -177.2 | 171.9 | 176 | 170.3 | 0 | 112.6 | L63 K64 L69 T70 E71 | L63-K67 WeakPolarHBondContact O-CB 3.43Å; L63-K67 PolarHBondContact O-N 2.84Å; K64-K67 PolarHBondContact O-N 3.12Å; K67-L69 PolarHBondContact O-N 3.35Å; K67-T70 VanDerWaalsContact CA-OG1 3.31Å; K67-T70 WeakPolarHBondContact CA-OG1 3.3Å; K67-T70 PolarHBondContact O-N 3.16Å; K67-T70 PolarHBondContact O-OG1 3.16Å; K67-E71 WeakPolarHBondContact CE-OE1 3.39Å; K67-E71 WeakPolarHBondContact CG-OE1 3.35Å; K67-E71 WeakPolarHBondContact O-CB 3.26Å; K67-E71 VanDerWaalsContact O-CG 3.29Å; K67-E71 WeakPolarHBondContact O-CG 3.4Å; K67-E71 PolarHBondContact O-N 2.96Å |
| 68 | T | 97.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 101.4 Ų | 101.4 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -28 | 176.4 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | K64 K65 N66 R72 | K64-T68 WeakPolarHBondContact O-CG2 3.45Å; K64-T68 PolarHBondContact O-N 3.41Å; K64-T68 PolarHBondContact O-OG1 3.35Å; K65-T68 WeakPolarHBondContact CA-OG1 3.3Å; K65-T68 PolarHBondContact O-N 2.66Å; K65-T68 PolarHBondContact O-OG1 3.15Å; N66-T68 PolarHBondContact O-N 2.89Å; T68-R72 WeakPolarHBondContact O-CB 3.4Å; T68-R72 PolarHBondContact O-N 3.02Å; T68-R72 VanDerWaalsContact O-N 3.14Å |
| 69 | L | 97.4 | Very high | 97.6 | Very high | 98 Ų | 98 | 102.4 Ų | 102.4 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.5 | -38.7 | 175.6 | -75.6 | 170 | 0 | 0 | 0 | 111.4 | K65 N66 K67 R72 N73 | K65-L69 WeakPolarHBondContact O-CB 3.48Å; K65-L69 VanDerWaalsContact O-CG 3.31Å; K65-L69 WeakPolarHBondContact O-CG 3.28Å; K65-L69 PolarHBondContact O-N 3.42Å; N66-L69 CarbonylContact O-C 3.59Å; N66-L69 WeakPolarHBondContact O-CA 3.35Å; N66-L69 WeakPolarHBondContact O-CB 3.44Å; N66-L69 PolarHBondContact O-N 3.21Å; K67-L69 PolarHBondContact O-N 3.35Å; L69-R72 PolarHBondContact O-N 3.3Å; L69-N73 WeakPolarHBondContact O-CB 3.48Å; L69-N73 PolarHBondContact O-N 3.13Å |
| 70 | T | 96.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 105.3 Ų | 105.3 | 33% | 0.325 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 174.2 | 48.4 | 0 | 0 | 0 | 0 | 110.7 | N66 K67 R72 N73 E74 | N66-T70 PolarHBondContact O-N 3.33Å; N66-T70 PolarHBondContact O-OG1 3.45Å; K67-T70 VanDerWaalsContact CA-OG1 3.31Å; K67-T70 WeakPolarHBondContact CA-OG1 3.3Å; K67-T70 PolarHBondContact O-N 3.16Å; K67-T70 PolarHBondContact O-OG1 3.16Å; T70-R72 VanDerWaalsContact C-N 3.25Å; T70-R72 PolarHBondContact O-N 2.79Å; T70-N73 PolarHBondContact O-N 3.36Å; T70-E74 WeakPolarHBondContact O-CG 3.27Å; T70-E74 PolarHBondContact O-N 2.9Å |
| 71 | E | 97.9 | Very high | 97.6 | Very high | 84 Ų | 84 | 102.6 Ų | 102.6 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 173.9 | -72.2 | 166.8 | -174.7 | 0 | 0 | 111.4 | K67 L75 | K67-E71 WeakPolarHBondContact CE-OE1 3.39Å; K67-E71 WeakPolarHBondContact CG-OE1 3.35Å; K67-E71 WeakPolarHBondContact O-CB 3.26Å; K67-E71 VanDerWaalsContact O-CG 3.29Å; K67-E71 WeakPolarHBondContact O-CG 3.4Å; K67-E71 PolarHBondContact O-N 2.96Å; E71-L75 WeakPolarHBondContact O-CG 3.32Å; E71-L75 PolarHBondContact O-N 3.37Å; E71-L75 VanDerWaalsContact O-N 3.11Å |
| 72 | R | 97.8 | Very high | 97.6 | Very high | 156 Ų | 156 | 105.6 Ų | 105.6 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.1 | -37.5 | 175.9 | -177.4 | 178.8 | 173.9 | 77.6 | 6.2 | 112.5 | T68 L69 T70 L76 | T68-R72 WeakPolarHBondContact O-CB 3.4Å; T68-R72 PolarHBondContact O-N 3.02Å; T68-R72 VanDerWaalsContact O-N 3.14Å; L69-R72 PolarHBondContact O-N 3.3Å; T70-R72 VanDerWaalsContact C-N 3.25Å; T70-R72 PolarHBondContact O-N 2.79Å; R72-L76 HydrophobicContact CG-CD1 4.34Å; R72-L76 VanDerWaalsContact O-CG 3.32Å; R72-L76 WeakPolarHBondContact O-CG 3.47Å; R72-L76 PolarHBondContact O-N 2.86Å; R72-L76 VanDerWaalsContact O-N 3.15Å |
| 73 | N | 97.3 | Very high | 97.6 | Very high | 85 Ų | 85 | 105.2 Ų | 105.2 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -43.9 | 176.8 | -79.7 | -11.2 | 0 | 0 | 0 | 110.8 | L69 T70 L75 L76 E77 | L69-N73 WeakPolarHBondContact O-CB 3.48Å; L69-N73 PolarHBondContact O-N 3.13Å; T70-N73 PolarHBondContact O-N 3.36Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-L75 PolarHBondContact O-N 2.88Å; N73-L76 CarbonylContact O-C 3.51Å; N73-L76 WeakPolarHBondContact O-CA 3.38Å; N73-L76 WeakPolarHBondContact O-CB 3.43Å; N73-L76 PolarHBondContact O-N 3.43Å; N73-E77 WeakPolarHBondContact O-CB 3.24Å; N73-E77 WeakPolarHBondContact O-CG 3.4Å; N73-E77 PolarHBondContact O-N 3.01Å |
| 74 | E | 97.6 | Very high | 97.6 | Very high | 106 Ų | 106 | 106.5 Ų | 106.5 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -54.6 | -49.4 | 174.3 | -72.8 | 165.5 | -171 | 0 | 0 | 110.6 | T70 L76 E77 E78 | T70-E74 WeakPolarHBondContact O-CG 3.27Å; T70-E74 PolarHBondContact O-N 2.9Å; E74-L76 VanDerWaalsContact C-N 3.26Å; E74-L76 PolarHBondContact O-N 3.29Å; E74-E77 PolarHBondContact O-N 2.83Å; E74-E77 VanDerWaalsContact O-N 3.16Å; E74-E78 WeakPolarHBondContact O-CG 3.45Å; E74-E78 PolarHBondContact O-N 3.21Å |
| 75 | L | 97.6 | Very high | 97.6 | Very high | 101 Ų | 101 | 104.8 Ų | 104.8 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -30.1 | 176 | -70.8 | 173 | 0 | 0 | 0 | 114.1 | E71 N73 Q79 | E71-L75 WeakPolarHBondContact O-CG 3.32Å; E71-L75 PolarHBondContact O-N 3.37Å; E71-L75 VanDerWaalsContact O-N 3.11Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-L75 PolarHBondContact O-N 2.88Å; L75-Q79 WeakPolarHBondContact O-CG 3.38Å; L75-Q79 PolarHBondContact O-N 3.01Å; L75-Q79 PolarHBondContact O-NE2 2.71Å |
| 76 | L | 97.9 | Very high | 97.6 | Very high | 72 Ų | 72 | 103.9 Ų | 103.9 | 38% | 0.377 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -78.4 | -37.7 | 176.1 | -74.5 | 171.6 | 0 | 0 | 0 | 111.2 | R72 N73 E74 Q79 V80 | R72-L76 HydrophobicContact CG-CD1 4.34Å; R72-L76 VanDerWaalsContact O-CG 3.32Å; R72-L76 WeakPolarHBondContact O-CG 3.47Å; R72-L76 PolarHBondContact O-N 2.86Å; R72-L76 VanDerWaalsContact O-N 3.15Å; N73-L76 CarbonylContact O-C 3.51Å; N73-L76 WeakPolarHBondContact O-CA 3.38Å; N73-L76 WeakPolarHBondContact O-CB 3.43Å; N73-L76 PolarHBondContact O-N 3.43Å; E74-L76 VanDerWaalsContact C-N 3.26Å; E74-L76 PolarHBondContact O-N 3.29Å; L76-Q79 PolarHBondContact O-N 3.35Å; L76-V80 VanDerWaalsContact O-CG2 3.32Å; L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 3.33Å |
| 77 | E | 97.8 | Very high | 97.7 | Very high | 125 Ų | 125 | 101.9 Ų | 101.9 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 174.3 | -73.2 | 170.3 | -169.9 | 0 | 0 | 110.5 | N73 E74 Q79 V80 E81 | N73-E77 WeakPolarHBondContact O-CB 3.24Å; N73-E77 WeakPolarHBondContact O-CG 3.4Å; N73-E77 PolarHBondContact O-N 3.01Å; E74-E77 PolarHBondContact O-N 2.83Å; E74-E77 VanDerWaalsContact O-N 3.16Å; E77-Q79 PolarHBondContact O-N 2.91Å; E77-V80 PolarHBondContact O-N 3.24Å; E77-V80 VanDerWaalsContact O-N 3.16Å; E77-E81 PolarHBondContact O-N 2.82Å |
| 78 | E | 97.4 | Very high | 97.7 | Very high | 126 Ų | 126 | 98.7 Ų | 98.7 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.8 | -45.1 | 172.9 | -73.7 | 174.2 | -177.2 | 0 | 0 | 112.2 | E74 V80 E81 H82 | E74-E78 WeakPolarHBondContact O-CG 3.45Å; E74-E78 PolarHBondContact O-N 3.21Å; E78-V80 VanDerWaalsContact C-N 3.33Å; E78-V80 PolarHBondContact O-N 2.89Å; E78-E81 PolarHBondContact O-N 2.85Å; E78-H82 WeakPolarHBondContact O-CB 3.35Å; E78-H82 PolarHBondContact O-N 3.44Å |
| 79 | Q | 97.8 | Very high | 97.7 | Very high | 113 Ų | 113 | 101 Ų | 101 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 176.3 | -81.3 | 171.6 | 86.3 | 0 | 0 | 112.5 | L75 L76 E77 I83 | L75-Q79 WeakPolarHBondContact O-CG 3.38Å; L75-Q79 PolarHBondContact O-N 3.01Å; L75-Q79 PolarHBondContact O-NE2 2.71Å; L76-Q79 PolarHBondContact O-N 3.35Å; E77-Q79 PolarHBondContact O-N 2.91Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.47Å; Q79-I83 PolarHBondContact O-N 2.98Å |
| 80 | V | 97.9 | Very high | 97.7 | Very high | 91 Ų | 91 | 100.3 Ų | 100.3 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.9 | -43.1 | 177.1 | 167.2 | 0 | 0 | 0 | 0 | 110.6 | L76 E77 E78 I83 R84 | L76-V80 VanDerWaalsContact O-CG2 3.32Å; L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 3.33Å; E77-V80 PolarHBondContact O-N 3.24Å; E77-V80 VanDerWaalsContact O-N 3.16Å; E78-V80 VanDerWaalsContact C-N 3.33Å; E78-V80 PolarHBondContact O-N 2.89Å; V80-I83 PolarHBondContact O-N 3.13Å; V80-R84 VanDerWaalsContact O-CB 3.27Å; V80-R84 WeakPolarHBondContact O-CB 3.38Å; V80-R84 PolarHBondContact O-N 3.32Å |
| 81 | E | 97.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 106 Ų | 106 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 175.9 | -74.1 | -58.1 | 137.3 | 0 | 0 | 111.5 | E77 E78 I83 R84 E85 | E77-E81 PolarHBondContact O-N 2.82Å; E78-E81 PolarHBondContact O-N 2.85Å; E81-I83 PolarHBondContact O-N 3.02Å; E81-R84 CarbonylContact O-C 3.58Å; E81-R84 WeakPolarHBondContact O-CA 3.49Å; E81-R84 WeakPolarHBondContact O-CB 3.23Å; E81-R84 PolarHBondContact O-N 3.11Å; E81-R84 IonicContact OE1-NH1 3.03Å; E81-R84 PolarHBondContact OE1-NH1 3.02Å; E81-R84 IonicContact OE2-NH1 3.62Å; E81-E85 WeakPolarHBondContact O-CG 3.31Å; E81-E85 PolarHBondContact O-N 2.83Å |
| 82 | H | 97.6 | Very high | 97.7 | Very high | 120 Ų | 120 | 108.3 Ų | 108.3 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.2 | -46 | 174.7 | -176 | 58.6 | 0 | 0 | 0 | 112.8 | E78 R84 E85 E86 | E78-H82 WeakPolarHBondContact O-CB 3.35Å; E78-H82 PolarHBondContact O-N 3.44Å; H82-R84 VanDerWaalsContact C-N 3.27Å; H82-R84 PolarHBondContact O-N 3.27Å; H82-E85 PolarHBondContact O-N 3.41Å; H82-E86 PolarHBondContact O-N 3.07Å |
| 83 | I | 97.7 | Very high | 97.7 | Very high | 96 Ų | 96 | 104.2 Ų | 104.2 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 175.5 | -68.3 | 166.5 | 0 | 0 | 0 | 110.8 | Q79 V80 E81 E86 V87 | Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.47Å; Q79-I83 PolarHBondContact O-N 2.98Å; V80-I83 PolarHBondContact O-N 3.13Å; E81-I83 PolarHBondContact O-N 3.02Å; I83-E86 PolarHBondContact O-N 3.27Å; I83-V87 HydrophobicContact CG2-CG2 4.32Å; I83-V87 WeakPolarHBondContact O-CB 3.14Å; I83-V87 VanDerWaalsContact O-CG2 3.23Å; I83-V87 WeakPolarHBondContact O-CG2 3.31Å; I83-V87 PolarHBondContact O-N 3.24Å |
| 84 | R | 98 | Very high | 97.7 | Very high | 153 Ų | 153 | 105 Ų | 105 | 58% | 0.577 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.1 | -40.1 | 178.6 | -175.5 | -174.1 | -178.3 | -177.5 | -2.4 | 111.7 | V80 E81 H82 S88 | V80-R84 VanDerWaalsContact O-CB 3.27Å; V80-R84 WeakPolarHBondContact O-CB 3.38Å; V80-R84 PolarHBondContact O-N 3.32Å; E81-R84 CarbonylContact O-C 3.58Å; E81-R84 WeakPolarHBondContact O-CA 3.49Å; E81-R84 WeakPolarHBondContact O-CB 3.23Å; E81-R84 PolarHBondContact O-N 3.11Å; E81-R84 IonicContact OE1-NH1 3.03Å; E81-R84 PolarHBondContact OE1-NH1 3.02Å; E81-R84 IonicContact OE2-NH1 3.62Å; H82-R84 VanDerWaalsContact C-N 3.27Å; H82-R84 PolarHBondContact O-N 3.27Å; R84-S88 WeakPolarHBondContact O-CB 3.49Å; R84-S88 PolarHBondContact O-N 3.24Å; R84-S88 PolarHBondContact O-OG 3.32Å |
| 85 | E | 97.9 | Very high | 97.7 | Very high | 119 Ų | 119 | 102.4 Ų | 102.4 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62 | -49.5 | 172.2 | -72.2 | 171.1 | 177 | 0 | 0 | 110.4 | E81 H82 V87 S88 Q89 | E81-E85 WeakPolarHBondContact O-CG 3.31Å; E81-E85 PolarHBondContact O-N 2.83Å; H82-E85 PolarHBondContact O-N 3.41Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 3.11Å; E85-S88 CarbonylContact O-C 3.6Å; E85-S88 WeakPolarHBondContact O-CA 3.42Å; E85-S88 WeakPolarHBondContact O-CB 3.46Å; E85-S88 PolarHBondContact O-N 3.01Å; E85-Q89 PolarHBondContact O-N 2.81Å |
| 86 | E | 97.9 | Very high | 97.6 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 177.3 | -169.6 | -172.3 | 173.8 | 0 | 0 | 111.5 | H82 I83 S88 Q89 L90 | H82-E86 PolarHBondContact O-N 3.07Å; I83-E86 PolarHBondContact O-N 3.27Å; E86-S88 VanDerWaalsContact C-N 3.29Å; E86-S88 PolarHBondContact O-N 2.88Å; E86-Q89 PolarHBondContact O-N 3.36Å; E86-L90 HydrophobicContact CG-CD1 4.28Å; E86-L90 WeakPolarHBondContact O-CB 3.32Å; E86-L90 WeakPolarHBondContact O-CG 3.06Å; E86-L90 PolarHBondContact O-N 2.87Å |
| 87 | V | 97.9 | Very high | 97.5 | Very high | 55 Ų | 55 | 104.2 Ų | 104.2 | 33% | 0.333 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 175.3 | 167.5 | 0 | 0 | 0 | 0 | 111.5 | I83 E85 R91 | I83-V87 HydrophobicContact CG2-CG2 4.32Å; I83-V87 WeakPolarHBondContact O-CB 3.14Å; I83-V87 VanDerWaalsContact O-CG2 3.23Å; I83-V87 WeakPolarHBondContact O-CG2 3.31Å; I83-V87 PolarHBondContact O-N 3.24Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 3.11Å; V87-R91 VanDerWaalsContact O-CB 3.31Å; V87-R91 WeakPolarHBondContact O-CB 3.13Å; V87-R91 VanDerWaalsContact O-CG 3.23Å; V87-R91 WeakPolarHBondContact O-CG 3.32Å; V87-R91 PolarHBondContact O-N 3.15Å |
| 88 | S | 97.6 | Very high | 97.5 | Very high | 62 Ų | 62 | 103 Ų | 103 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | R84 E85 E86 R91 H92 | R84-S88 WeakPolarHBondContact O-CB 3.49Å; R84-S88 PolarHBondContact O-N 3.24Å; R84-S88 PolarHBondContact O-OG 3.32Å; E85-S88 CarbonylContact O-C 3.6Å; E85-S88 WeakPolarHBondContact O-CA 3.42Å; E85-S88 WeakPolarHBondContact O-CB 3.46Å; E85-S88 PolarHBondContact O-N 3.01Å; E86-S88 VanDerWaalsContact C-N 3.29Å; E86-S88 PolarHBondContact O-N 2.88Å; S88-R91 PolarHBondContact O-N 2.79Å; S88-H92 PolarHBondContact O-N 3.31Å |
| 89 | Q | 97.8 | Very high | 97.4 | Very high | 118 Ų | 118 | 101.9 Ų | 101.9 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -48.7 | 175.7 | -173.1 | 162.6 | -0.1 | 0 | 0 | 111.7 | E85 E86 R91 H92 E93 | E85-Q89 PolarHBondContact O-N 2.81Å; E86-Q89 PolarHBondContact O-N 3.36Å; Q89-R91 VanDerWaalsContact C-N 3.3Å; Q89-R91 PolarHBondContact O-N 2.91Å; Q89-H92 PolarHBondContact O-N 2.83Å; Q89-H92 VanDerWaalsContact O-N 3.13Å; Q89-E93 PolarHBondContact O-N 2.91Å |
| 90 | L | 97.7 | Very high | 97.2 | Very high | 85 Ų | 85 | 101 Ų | 101 | 45% | 0.445 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -37 | 176.2 | -70.9 | 175.2 | 0 | 0 | 0 | 112.5 | E86 L94 | E86-L90 HydrophobicContact CG-CD1 4.28Å; E86-L90 WeakPolarHBondContact O-CB 3.32Å; E86-L90 WeakPolarHBondContact O-CG 3.06Å; E86-L90 PolarHBondContact O-N 2.87Å; L90-L94 WeakPolarHBondContact O-CB 3.07Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 2.97Å |
| 91 | R | 97.5 | Very high | 96.9 | Very high | 172 Ų | 172 | 101.6 Ų | 101.6 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -43 | 173.5 | -82.1 | 175.1 | 174.1 | 157.6 | 0.4 | 112 | V87 S88 Q89 L94 S95 | V87-R91 VanDerWaalsContact O-CB 3.31Å; V87-R91 WeakPolarHBondContact O-CB 3.13Å; V87-R91 VanDerWaalsContact O-CG 3.23Å; V87-R91 WeakPolarHBondContact O-CG 3.32Å; V87-R91 PolarHBondContact O-N 3.15Å; S88-R91 PolarHBondContact O-N 2.79Å; Q89-R91 VanDerWaalsContact C-N 3.3Å; Q89-R91 PolarHBondContact O-N 2.91Å; R91-L94 PolarHBondContact O-N 3.35Å; R91-S95 PolarHBondContact O-N 2.87Å |
| 92 | H | 97.5 | Very high | 96.6 | Very high | 133 Ų | 133 | 104.2 Ų | 104.2 | 62% | 0.616 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 177 | -178.7 | 58.7 | 0 | 0 | 0 | 111.5 | S88 Q89 L94 S95 M96 | S88-H92 PolarHBondContact O-N 3.31Å; Q89-H92 PolarHBondContact O-N 2.83Å; Q89-H92 VanDerWaalsContact O-N 3.13Å; H92-L94 PolarHBondContact O-N 3.21Å; H92-S95 WeakPolarHBondContact O-CB 3.46Å; H92-S95 PolarHBondContact O-N 2.83Å; H92-M96 PolarHBondContact O-N 3.19Å |
| 93 | E | 97.7 | Very high | 96.3 | Very high | 70 Ų | 70 | 105.3 Ų | 105.3 | 33% | 0.327 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 174.7 | -76.2 | -171.3 | -153.5 | 0 | 0 | 113.2 | Q89 S95 M96 K97 | Q89-E93 PolarHBondContact O-N 2.91Å; E93-S95 VanDerWaalsContact C-N 3.35Å; E93-M96 PolarHBondContact O-N 2.68Å; E93-K97 WeakPolarHBondContact O-CB 3.39Å; E93-K97 VanDerWaalsContact O-CG 3.29Å; E93-K97 WeakPolarHBondContact O-CG 3.33Å; E93-K97 PolarHBondContact O-N 3.35Å; E93-K97 IonicContact OE2-NZ 3.03Å; E93-K97 PolarHBondContact OE2-NZ 3.09Å |
| 94 | L | 96.9 | Very high | 95.8 | Very high | 101 Ų | 101 | 108.2 Ų | 108.2 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.1 | -87.8 | 165.3 | 0 | 0 | 0 | 110.8 | L90 R91 H92 M96 K97 D98 | L90-L94 WeakPolarHBondContact O-CB 3.07Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 2.97Å; R91-L94 PolarHBondContact O-N 3.35Å; H92-L94 PolarHBondContact O-N 3.21Å; L94-M96 PolarHBondContact O-N 3.05Å; L94-K97 PolarHBondContact O-N 3.24Å; L94-D98 WeakPolarHBondContact O-CB 3.47Å; L94-D98 PolarHBondContact O-N 2.96Å |
| 95 | S | 97.2 | Very high | 95.3 | Very high | 52 Ų | 52 | 104.8 Ų | 104.8 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 175.3 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | R91 H92 E93 K97 D98 E99 | R91-S95 PolarHBondContact O-N 2.87Å; H92-S95 WeakPolarHBondContact O-CB 3.46Å; H92-S95 PolarHBondContact O-N 2.83Å; E93-S95 VanDerWaalsContact C-N 3.35Å; S95-K97 VanDerWaalsContact C-N 3.33Å; S95-K97 PolarHBondContact O-N 2.84Å; S95-D98 PolarHBondContact O-N 2.7Å; S95-E99 WeakPolarHBondContact O-CG 3.49Å; S95-E99 PolarHBondContact O-N 2.81Å; S95-E99 PolarHBondContact OG-OE1 2.9Å |
| 96 | M | 96.6 | Very high | 94.6 | Very high | 108 Ų | 108 | 101.8 Ų | 101.8 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 178.8 | -175.4 | -177 | 66.1 | 0 | 0 | 111.8 | H92 E93 L94 E99 L100 | H92-M96 PolarHBondContact O-N 3.19Å; E93-M96 PolarHBondContact O-N 2.68Å; L94-M96 PolarHBondContact O-N 3.05Å; M96-E99 PolarHBondContact O-N 3.33Å; M96-L100 WeakPolarHBondContact O-CB 3.49Å; M96-L100 PolarHBondContact O-N 2.89Å |
| 97 | K | 96.1 | Very high | 93.7 | Very high | 103 Ų | 103 | 99.4 Ų | 99.4 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 175.4 | -73.4 | 166.5 | -176.9 | 148.2 | 0 | 111.2 | E93 L94 S95 L100 L101 | E93-K97 WeakPolarHBondContact O-CB 3.39Å; E93-K97 VanDerWaalsContact O-CG 3.29Å; E93-K97 WeakPolarHBondContact O-CG 3.33Å; E93-K97 PolarHBondContact O-N 3.35Å; E93-K97 IonicContact OE2-NZ 3.03Å; E93-K97 PolarHBondContact OE2-NZ 3.09Å; L94-K97 PolarHBondContact O-N 3.24Å; S95-K97 VanDerWaalsContact C-N 3.33Å; S95-K97 PolarHBondContact O-N 2.84Å; K97-L100 PolarHBondContact O-N 3.39Å; K97-L101 WeakPolarHBondContact O-CB 3.44Å; K97-L101 VanDerWaalsContact O-CG 3.3Å; K97-L101 WeakPolarHBondContact O-CG 3.5Å; K97-L101 PolarHBondContact O-N 3.02Å |
| 98 | D | 96.5 | Very high | 92.7 | Very high | 98 Ų | 98 | 99.3 Ų | 99.3 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.2 | -77.4 | -20.7 | 0 | 0 | 0 | 111.7 | L94 S95 L101 Q102 | L94-D98 WeakPolarHBondContact O-CB 3.47Å; L94-D98 PolarHBondContact O-N 2.96Å; S95-D98 PolarHBondContact O-N 2.7Å; D98-L101 PolarHBondContact O-N 3.32Å; D98-Q102 WeakPolarHBondContact O-CB 3.29Å; D98-Q102 PolarHBondContact O-N 2.94Å |
| 99 | E | 95.7 | Very high | 91.1 | Very high | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.2 | -75.2 | 171.4 | -147.3 | 0 | 0 | 111.4 | S95 M96 Q102 F103 | S95-E99 WeakPolarHBondContact O-CG 3.49Å; S95-E99 PolarHBondContact O-N 2.81Å; S95-E99 PolarHBondContact OG-OE1 2.9Å; M96-E99 PolarHBondContact O-N 3.33Å; E99-Q102 WeakPolarHBondContact O-CB 3.29Å; E99-Q102 PolarHBondContact O-N 3.22Å; E99-F103 WeakPolarHBondContact O-CD2 3.12Å; E99-F103 PolarHBondContact O-N 3.43Å |
| 100 | L | 94.3 | Very high | 89.3 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 177.1 | -174.8 | 64.2 | 0 | 0 | 0 | 111.9 | M96 K97 Q102 F103 Y104 | M96-L100 WeakPolarHBondContact O-CB 3.49Å; M96-L100 PolarHBondContact O-N 2.89Å; K97-L100 PolarHBondContact O-N 3.39Å; L100-Q102 VanDerWaalsContact C-N 3.3Å; L100-Q102 PolarHBondContact O-N 2.81Å; L100-F103 WeakPolarHBondContact O-CB 3.31Å; L100-F103 PolarHBondContact O-N 3.47Å; L100-Y104 HydrophobicContact CD1-CD2 4.21Å; L100-Y104 HydrophobicContact CD1-CE2 3.72Å; L100-Y104 HydrophobicContact CD2-CE2 4.22Å; L100-Y104 HydrophobicContact CG-CD2 3.99Å; L100-Y104 HydrophobicContact CG-CE2 3.72Å; L100-Y104 WeakPolarHBondContact O-CD2 3.44Å; L100-Y104 PolarHBondContact O-N 3.08Å |
| 101 | L | 91.4 | Very high | 87.2 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 174.4 | -76.3 | 170.9 | 0 | 0 | 0 | 111.5 | K97 D98 Y104 T105 | K97-L101 WeakPolarHBondContact O-CB 3.44Å; K97-L101 VanDerWaalsContact O-CG 3.3Å; K97-L101 WeakPolarHBondContact O-CG 3.5Å; K97-L101 PolarHBondContact O-N 3.02Å; D98-L101 PolarHBondContact O-N 3.32Å; L101-Y104 PolarHBondContact O-N 3.2Å; L101-T105 WeakPolarHBondContact O-CB 3.23Å; L101-T105 PolarHBondContact O-N 2.81Å; L101-T105 PolarHBondContact O-OG1 3.41Å |
| 102 | Q | 91.3 | Very high | 84.5 | Confident | 139 Ų | 139 | 106 Ų | 106 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 174 | -173.6 | 176.4 | 12.1 | 0 | 0 | 110.9 | D98 E99 L100 Y104 T105 S106 | D98-Q102 WeakPolarHBondContact O-CB 3.29Å; D98-Q102 PolarHBondContact O-N 2.94Å; E99-Q102 WeakPolarHBondContact O-CB 3.29Å; E99-Q102 PolarHBondContact O-N 3.22Å; L100-Q102 VanDerWaalsContact C-N 3.3Å; L100-Q102 PolarHBondContact O-N 2.81Å; Q102-Y104 PolarHBondContact O-N 3.21Å; Q102-T105 PolarHBondContact O-N 2.74Å; Q102-S106 WeakPolarHBondContact O-CB 3.32Å; Q102-S106 PolarHBondContact O-N 3.47Å; Q102-S106 PolarHBondContact O-OG 3.44Å |
| 103 | F | 90.6 | Very high | 82 | Confident | 143 Ų | 143 | 104.7 Ų | 104.7 | 63% | 0.627 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.6 | -45.6 | 174.1 | -80.1 | -67.2 | 0 | 0 | 0 | 112.7 | E99 L100 S106 A107 | E99-F103 WeakPolarHBondContact O-CD2 3.12Å; E99-F103 PolarHBondContact O-N 3.43Å; L100-F103 WeakPolarHBondContact O-CB 3.31Å; L100-F103 PolarHBondContact O-N 3.47Å; F103-S106 WeakPolarHBondContact CA-OG 3.47Å; F103-S106 PolarHBondContact O-N 2.78Å; F103-S106 PolarHBondContact O-OG 2.83Å; F103-A107 WeakPolarHBondContact O-CB 3.48Å; F103-A107 PolarHBondContact O-N 3.02Å |
| 104 | Y | 88.3 | Confident | 79.4 | Confident | 157 Ų | 157 | 110.4 Ų | 110.4 | 62% | 0.616 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.1 | -37.2 | 177.3 | -80 | -65.9 | 0 | 0 | 0 | 112.7 | L100 L101 Q102 A107 A108 | L100-Y104 HydrophobicContact CD1-CD2 4.21Å; L100-Y104 HydrophobicContact CD1-CE2 3.72Å; L100-Y104 HydrophobicContact CD2-CE2 4.22Å; L100-Y104 HydrophobicContact CG-CD2 3.99Å; L100-Y104 HydrophobicContact CG-CE2 3.72Å; L100-Y104 WeakPolarHBondContact O-CD2 3.44Å; L100-Y104 PolarHBondContact O-N 3.08Å; L101-Y104 PolarHBondContact O-N 3.2Å; Q102-Y104 PolarHBondContact O-N 3.21Å; Y104-A107 PolarHBondContact O-N 3.41Å; Y104-A108 WeakPolarHBondContact O-CB 3.33Å; Y104-A108 PolarHBondContact O-N 2.75Å |
| 105 | T | 87.4 | Confident | 76.9 | Confident | 81 Ų | 81 | 111.1 Ų | 111.1 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68 | -43.2 | 177.7 | -51.4 | 0 | 0 | 0 | 0 | 110.3 | L101 Q102 A108 E109 | L101-T105 WeakPolarHBondContact O-CB 3.23Å; L101-T105 PolarHBondContact O-N 2.81Å; L101-T105 PolarHBondContact O-OG1 3.41Å; Q102-T105 PolarHBondContact O-N 2.74Å; T105-A108 PolarHBondContact O-N 2.97Å; T105-E109 WeakPolarHBondContact O-CG 3.14Å; T105-E109 PolarHBondContact O-N 3.49Å |
| 106 | S | 82 | Confident | 74.3 | Confident | 56 Ų | 56 | 115 Ų | 115 | 39% | 0.392 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.8 | -40.3 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | Q102 F103 E109 E110 | Q102-S106 WeakPolarHBondContact O-CB 3.32Å; Q102-S106 PolarHBondContact O-N 3.47Å; Q102-S106 PolarHBondContact O-OG 3.44Å; F103-S106 WeakPolarHBondContact CA-OG 3.47Å; F103-S106 PolarHBondContact O-N 2.78Å; F103-S106 PolarHBondContact O-OG 2.83Å; S106-E109 PolarHBondContact O-N 3.26Å; S106-E110 WeakPolarHBondContact O-CB 3.31Å; S106-E110 PolarHBondContact O-N 2.98Å |
| 107 | A | 79.9 | Confident | 71.1 | Confident | 52 Ų | 52 | 115 Ų | 115 | 43% | 0.43 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.5 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F103 Y104 S111 | F103-A107 WeakPolarHBondContact O-CB 3.48Å; F103-A107 PolarHBondContact O-N 3.02Å; Y104-A107 PolarHBondContact O-N 3.41Å; A107-S111 WeakPolarHBondContact O-CB 3.19Å; A107-S111 PolarHBondContact O-N 3.14Å; A107-S111 VanDerWaalsContact O-N 3.08Å; A107-S111 PolarHBondContact O-OG 3.27Å; A107-S111 VanDerWaalsContact O-OG 3.13Å |
| 108 | A | 76.4 | Confident | 68.3 | Low | 54 Ų | 54 | 115.2 Ų | 115.2 | 45% | 0.446 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.9 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y104 T105 E110 S111 | Y104-A108 WeakPolarHBondContact O-CB 3.33Å; Y104-A108 PolarHBondContact O-N 2.75Å; T105-A108 PolarHBondContact O-N 2.97Å; A108-E110 VanDerWaalsContact C-N 3.32Å; A108-E110 PolarHBondContact O-N 3.34Å; A108-S111 PolarHBondContact O-N 3.02Å; A108-S111 PolarHBondContact O-OG 3.36Å |
| 109 | E | 64.4 | Low | 65.6 | Low | 160 Ų | 160 | 116.8 Ų | 116.8 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65 | -32.3 | 175.2 | -77.2 | -172.7 | 163.2 | 0 | 0 | 113 | T105 S106 | T105-E109 WeakPolarHBondContact O-CG 3.14Å; T105-E109 PolarHBondContact O-N 3.49Å; S106-E109 PolarHBondContact O-N 3.26Å |
| 110 | E | 59.4 | Low | 63.6 | Low | 173 Ų | 173 | 117.3 Ų | 117.3 | 81% | 0.808 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.3 | -15.7 | 177.7 | -155 | 169.9 | -152.9 | 0 | 0 | 113 | S106 A108 | S106-E110 WeakPolarHBondContact O-CB 3.31Å; S106-E110 PolarHBondContact O-N 2.98Å; A108-E110 VanDerWaalsContact C-N 3.32Å; A108-E110 PolarHBondContact O-N 3.34Å |
| 111 | S | 53.5 | Low | 61.7 | Low | 83 Ų | 83 | 120.8 Ų | 120.8 | 58% | 0.58 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -95.8 | -1.1 | -176.4 | 72.1 | 0 | 0 | 0 | 0 | 116.1 | A107 A108 P113 | A107-S111 WeakPolarHBondContact O-CB 3.19Å; A107-S111 PolarHBondContact O-N 3.14Å; A107-S111 VanDerWaalsContact O-N 3.08Å; A107-S111 PolarHBondContact O-OG 3.27Å; A107-S111 VanDerWaalsContact O-OG 3.13Å; A108-S111 PolarHBondContact O-N 3.02Å; A108-S111 PolarHBondContact O-OG 3.36Å; S111-P113 WeakPolarHBondContact O-CD 3.15Å |
| 112 | E | 41.4 | Very low | 59.3 | Low | 161 Ų | 161 | 126 Ų | 126 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | -96.9 | 91.8 | 172.6 | -82.3 | -77.2 | 154.2 | 0 | 0 | 111.5 | ||||
| 113 | P | 44.3 | Very low | 57.2 | Low | 105 Ų | 105 | 129.4 Ų | 129.4 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -103.7 | 120.1 | 140.7 | 32.1 | -21.6 | 0 | 0 | 0 | 108.3 | S111 S115 | S111-P113 WeakPolarHBondContact O-CD 3.15Å; P113-S115 PolarHBondContact O-N 2.84Å | ||
| 114 | E | 43.2 | Very low | 54.9 | Low | 191 Ų | 191 | 130.4 Ų | 130.4 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | trans | -36.3 | 109.5 | 167.7 | -61.4 | 176.7 | 144.4 | 0 | 0 | 112.2 | ||||
| 115 | S | 44.2 | Very low | 53.1 | Low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | -159.7 | 107.3 | 160.5 | -170.1 | 0 | 0 | 0 | 0 | 113.4 | P113 | P113-S115 PolarHBondContact O-N 2.84Š| ||
| 116 | V | 42.5 | Very low | 51.4 | Low | 134 Ų | 134 | 130.7 Ų | 130.7 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | -62 | 153.4 | 171.8 | -164.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 117 | C | 30.3 | Very low | 49.6 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 113.2 | 118.8 | 135.7 | -138.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 118 | S | 36.3 | Very low | 48.2 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 88.2 | 121 | 132.3 | -69.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 119 | T | 40.8 | Very low | 47 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | -69.7 | -176.2 | 146.2 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 120 | P | 54.4 | Low | 46.4 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | cis | -142.1 | -177.3 | -4.3 | 29.5 | -3.3 | 0 | 0 | 0 | 116.5 | ||||
| 121 | L | 53.1 | Low | 46.4 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | trans | -14.1 | 143 | 160.2 | -81.4 | 111.7 | 0 | 0 | 0 | 121.2 | ||||
| 122 | K | 40.8 | Very low | 46.6 | Very low | 213 Ų | 213 | 131.3 Ų | 131.3 | 93% | 0.926 | 73% | 0.734 | S | S | * | * | trans | -158.3 | 139.2 | 135.1 | -128.8 | -165.5 | -178.9 | -171.7 | 0 | 116.3 | ||||
| 123 | R | 47.8 | Very low | 47.6 | Very low | 210 Ų | 210 | 131.9 Ų | 131.9 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | trans | -81.9 | 145 | 179.4 | -175 | -175.1 | -155.1 | 152 | 5.3 | 112.7 | ||||
| 124 | N | 43.4 | Very low | 48.7 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -151.3 | 133.2 | 162.4 | -155.6 | 13.4 | 0 | 0 | 0 | 112 | ||||
| 125 | E | 48.5 | Very low | 50.4 | Low | 139 Ų | 139 | 130.8 Ų | 130.8 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | -116.4 | 147.6 | -171.5 | -71.3 | -87.1 | 165.2 | 0 | 0 | 110.8 | ||||
| 126 | S | 53.3 | Low | 52.3 | Low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | 87.8 | 74.9 | 157.7 | -47.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 127 | S | 43.9 | Very low | 54.4 | Low | 132 Ų | 132 | 128.1 Ų | 128.1 | 92% | 0.923 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -156.9 | 23.6 | 145 | -74.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 128 | S | 50.2 | Low | 57.3 | Low | 47 Ų | 47 | 126.6 Ų | 126.6 | 33% | 0.329 | 68% | 0.676 | S | S | . | * | trans | -124.1 | 19.3 | -164 | 68 | 0 | 0 | 0 | 0 | 116.8 | V130 Q131 N132 | S128-V130 VanDerWaalsContact C-N 3.32Å; S128-V130 PolarHBondContact O-N 3.49Å; S128-V130 VanDerWaalsContact O-N 3.15Å; S128-Q131 CarbonylContact O-C 3.55Å; S128-Q131 PolarHBondContact O-N 3.36Å; S128-N132 VanDerWaalsContact O-CB 3.26Å; S128-N132 WeakPolarHBondContact O-CB 3.35Å; S128-N132 PolarHBondContact O-N 3.3Å; S128-N132 PolarHBondContact O-ND2 2.92Å; S128-N132 PolarHBondContact O-OD1 2.94Å; S128-N132 PolarHBondContact OG-ND2 3.38Å; S128-N132 PolarHBondContact OG-OD1 3.48Å | ||
| 129 | S | 52 | Low | 59.9 | Low | 90 Ų | 90 | 127.3 Ų | 127.3 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -60.3 | -31.8 | -169.9 | 66.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 130 | V | 50.9 | Low | 62.4 | Low | 106 Ų | 106 | 126.8 Ų | 126.8 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -81.6 | -35.2 | 174.7 | 179 | 0 | 0 | 0 | 0 | 111.6 | S128 N132 Y133 F134 | S128-V130 VanDerWaalsContact C-N 3.32Å; S128-V130 PolarHBondContact O-N 3.49Å; S128-V130 VanDerWaalsContact O-N 3.15Å; V130-N132 VanDerWaalsContact C-N 3.3Å; V130-N132 PolarHBondContact O-N 3.19Å; V130-Y133 PolarHBondContact O-N 3.13Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å |
| 131 | Q | 59.1 | Low | 64.3 | Low | 135 Ų | 135 | 127.9 Ų | 127.9 | 63% | 0.631 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67 | -31.9 | 171.4 | -135.8 | 108.1 | -0.5 | 0 | 0 | 111.9 | S128 H135 | S128-Q131 CarbonylContact O-C 3.55Å; S128-Q131 PolarHBondContact O-N 3.36Å; Q131-H135 WeakPolarHBondContact O-CB 3.34Å; Q131-H135 PolarHBondContact O-CD2 2.89Å; Q131-H135 VanDerWaalsContact O-CD2 3.26Å; Q131-H135 PolarHBondContact O-N 3.02Å |
| 132 | N | 59 | Low | 66.4 | Low | 80 Ų | 80 | 125 Ų | 125 | 43% | 0.428 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.6 | -33.6 | 179.5 | -74.7 | -18.1 | 0 | 0 | 0 | 111.7 | S128 V130 H135 L136 | S128-N132 VanDerWaalsContact O-CB 3.26Å; S128-N132 WeakPolarHBondContact O-CB 3.35Å; S128-N132 PolarHBondContact O-N 3.3Å; S128-N132 PolarHBondContact O-ND2 2.92Å; S128-N132 PolarHBondContact O-OD1 2.94Å; S128-N132 PolarHBondContact OG-ND2 3.38Å; S128-N132 PolarHBondContact OG-OD1 3.48Å; V130-N132 VanDerWaalsContact C-N 3.3Å; V130-N132 PolarHBondContact O-N 3.19Å; N132-H135 PolarHBondContact O-N 3.16Å; N132-L136 WeakPolarHBondContact O-CB 3.29Å; N132-L136 PolarHBondContact O-N 3.39Å |
| 133 | Y | 62 | Low | 69 | Low | 173 Ų | 173 | 119.5 Ų | 119.5 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.1 | -46.8 | 175.1 | -101.4 | -88.3 | 0 | 0 | 0 | 111.7 | V130 H135 L136 D137 | V130-Y133 PolarHBondContact O-N 3.13Å; Y133-H135 VanDerWaalsContact C-N 3.33Å; Y133-H135 PolarHBondContact O-N 3.27Å; Y133-L136 PolarHBondContact O-N 2.94Å; Y133-L136 VanDerWaalsContact O-N 3.15Å; Y133-D137 PolarHBondContact O-N 2.91Å |
| 134 | F | 68.1 | Low | 71.3 | Confident | 153 Ų | 153 | 115 Ų | 115 | 67% | 0.671 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64 | -37.2 | 174.1 | -75.4 | -77 | 0 | 0 | 0 | 112.6 | V130 L136 S138 | V130-F134 WeakPolarHBondContact O-CD2 3.3Å; F134-L136 VanDerWaalsContact C-N 3.35Å; F134-S138 WeakPolarHBondContact O-CB 3.4Å; F134-S138 PolarHBondContact O-N 2.93Å |
| 135 | H | 78 | Confident | 73.9 | Confident | 120 Ų | 120 | 110.1 Ų | 110.1 | 56% | 0.556 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.4 | -35.1 | 172.3 | -89 | -61.3 | 0 | 0 | 0 | 112.9 | Q131 N132 Y133 L139 | Q131-H135 WeakPolarHBondContact O-CB 3.34Å; Q131-H135 PolarHBondContact O-CD2 2.89Å; Q131-H135 VanDerWaalsContact O-CD2 3.26Å; Q131-H135 PolarHBondContact O-N 3.02Å; N132-H135 PolarHBondContact O-N 3.16Å; Y133-H135 VanDerWaalsContact C-N 3.33Å; Y133-H135 PolarHBondContact O-N 3.27Å; H135-L139 WeakPolarHBondContact O-CB 3.39Å; H135-L139 WeakPolarHBondContact O-CD1 3.41Å; H135-L139 WeakPolarHBondContact O-CG 3.3Å; H135-L139 PolarHBondContact O-N 3.45Å |
| 136 | L | 83.3 | Confident | 76.2 | Confident | 104 Ų | 104 | 107.7 Ų | 107.7 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74 | -40.7 | 179.4 | -159.1 | 138 | 0 | 0 | 0 | 111.3 | N132 Y133 F134 L139 Q140 | N132-L136 WeakPolarHBondContact O-CB 3.29Å; N132-L136 PolarHBondContact O-N 3.39Å; Y133-L136 PolarHBondContact O-N 2.94Å; Y133-L136 VanDerWaalsContact O-N 3.15Å; F134-L136 VanDerWaalsContact C-N 3.35Å; L136-L139 PolarHBondContact O-N 3.43Å; L136-Q140 VanDerWaalsContact O-CB 3.23Å; L136-Q140 WeakPolarHBondContact O-CB 3.33Å; L136-Q140 PolarHBondContact O-N 2.75Å |
| 137 | D | 87.6 | Confident | 78.2 | Confident | 89 Ų | 89 | 108 Ų | 108 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -40.3 | 171.4 | -74.4 | -19.8 | 0 | 0 | 0 | 111.7 | Y133 Q140 K141 | Y133-D137 PolarHBondContact O-N 2.91Å; D137-Q140 PolarHBondContact O-N 3.4Å; D137-K141 WeakPolarHBondContact O-CB 2.98Å; D137-K141 PolarHBondContact O-N 3.43Å |
| 138 | S | 90.1 | Very high | 80.8 | Confident | 77 Ų | 77 | 106.2 Ų | 106.2 | 54% | 0.538 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 175.8 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | F134 K142 | F134-S138 WeakPolarHBondContact O-CB 3.4Å; F134-S138 PolarHBondContact O-N 2.93Å; S138-K142 WeakPolarHBondContact O-CB 3.45Å; S138-K142 PolarHBondContact O-N 2.79Å |
| 139 | L | 91.9 | Very high | 83 | Confident | 123 Ų | 123 | 108.8 Ų | 108.8 | 64% | 0.644 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 172.5 | -91.4 | 157 | 0 | 0 | 0 | 111.3 | H135 L136 K142 L143 | H135-L139 WeakPolarHBondContact O-CB 3.39Å; H135-L139 WeakPolarHBondContact O-CD1 3.41Å; H135-L139 WeakPolarHBondContact O-CG 3.3Å; H135-L139 PolarHBondContact O-N 3.45Å; L136-L139 PolarHBondContact O-N 3.43Å; L139-K142 PolarHBondContact O-N 3.4Å; L139-L143 VanDerWaalsContact O-CB 3.29Å; L139-L143 WeakPolarHBondContact O-CB 3.37Å; L139-L143 PolarHBondContact O-N 2.78Å |
| 140 | Q | 93 | Very high | 85.2 | Confident | 119 Ų | 119 | 107.8 Ų | 107.8 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.1 | -38.9 | -179.5 | -163.6 | 169.7 | -0.5 | 0 | 0 | 111.6 | L136 D137 L143 K144 | L136-Q140 VanDerWaalsContact O-CB 3.23Å; L136-Q140 WeakPolarHBondContact O-CB 3.33Å; L136-Q140 PolarHBondContact O-N 2.75Å; D137-Q140 PolarHBondContact O-N 3.4Å; Q140-L143 PolarHBondContact O-N 2.81Å; Q140-K144 PolarHBondContact O-N 3.41Å |
| 141 | K | 94.9 | Very high | 87.4 | Confident | 137 Ų | 137 | 107.2 Ų | 107.2 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -47.9 | 169.3 | -176.3 | 178.1 | 177.9 | -178.6 | 0 | 111.2 | D137 L143 K144 D145 | D137-K141 WeakPolarHBondContact O-CB 2.98Å; D137-K141 PolarHBondContact O-N 3.43Å; K141-L143 VanDerWaalsContact C-N 3.27Å; K141-L143 PolarHBondContact O-N 3.33Å; K141-K144 WeakPolarHBondContact O-CB 3.38Å; K141-K144 PolarHBondContact O-N 3.46Å; K141-K144 VanDerWaalsContact O-N 3.12Å; K141-D145 PolarHBondContact O-N 2.85Å |
| 142 | K | 95.9 | Very high | 89.3 | Confident | 110 Ų | 110 | 104.8 Ų | 104.8 | 48% | 0.478 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 178.9 | -172.9 | 57.6 | 179.4 | 168.3 | 0 | 112.2 | S138 L139 L146 | S138-K142 WeakPolarHBondContact O-CB 3.45Å; S138-K142 PolarHBondContact O-N 2.79Å; L139-K142 PolarHBondContact O-N 3.4Å; K142-L146 HydrophobicContact CD-CG 4.46Å; K142-L146 HydrophobicContact CG-CD1 4.23Å; K142-L146 WeakPolarHBondContact O-CB 3.12Å; K142-L146 WeakPolarHBondContact O-CG 3.22Å; K142-L146 PolarHBondContact O-N 2.89Å |
| 143 | L | 95.7 | Very high | 91.1 | Very high | 96 Ų | 96 | 105.2 Ų | 105.2 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 173.5 | -175.2 | 135.6 | 0 | 0 | 0 | 111 | L139 Q140 K141 L146 E147 | L139-L143 VanDerWaalsContact O-CB 3.29Å; L139-L143 WeakPolarHBondContact O-CB 3.37Å; L139-L143 PolarHBondContact O-N 2.78Å; Q140-L143 PolarHBondContact O-N 2.81Å; K141-L143 VanDerWaalsContact C-N 3.27Å; K141-L143 PolarHBondContact O-N 3.33Å; L143-L146 PolarHBondContact O-N 2.89Å; L143-E147 HydrophobicContact CD2-CG 4.4Å; L143-E147 WeakPolarHBondContact CD2-OE1 3.32Å; L143-E147 WeakPolarHBondContact O-CB 3.4Å; L143-E147 VanDerWaalsContact O-CG 3.27Å; L143-E147 WeakPolarHBondContact O-CG 3.22Å; L143-E147 PolarHBondContact O-N 3.41Å |
| 144 | K | 96.9 | Very high | 92.8 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 174.3 | -166.8 | -179.2 | -177.3 | -91.1 | 0 | 112.5 | Q140 K141 L146 E147 E148 | Q140-K144 PolarHBondContact O-N 3.41Å; K141-K144 WeakPolarHBondContact O-CB 3.38Å; K141-K144 PolarHBondContact O-N 3.46Å; K141-K144 VanDerWaalsContact O-N 3.12Å; K144-L146 VanDerWaalsContact C-N 3.32Å; K144-L146 PolarHBondContact O-N 2.81Å; K144-E147 WeakPolarHBondContact O-CB 3.41Å; K144-E147 PolarHBondContact O-N 2.84Å; K144-E148 WeakPolarHBondContact CE-OE1 3.22Å; K144-E148 IonicContact NZ-OE1 2.66Å; K144-E148 PolarHBondContact NZ-OE1 3.31Å; K144-E148 WeakPolarHBondContact O-CG 3.31Å; K144-E148 PolarHBondContact O-N 3.32Å |
| 145 | D | 96.9 | Very high | 94.3 | Very high | 63 Ų | 63 | 101.2 Ų | 101.2 | 34% | 0.337 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 177.1 | -61.7 | -18.4 | 0 | 0 | 0 | 110.5 | K141 E148 E149 | K141-D145 PolarHBondContact O-N 2.85Å; D145-E148 PolarHBondContact O-N 3.49Å; D145-E149 WeakPolarHBondContact O-CB 3.34Å; D145-E149 PolarHBondContact O-N 3.19Å |
| 146 | L | 96.8 | Very high | 95.2 | Very high | 87 Ų | 87 | 100.1 Ų | 100.1 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.7 | -34.5 | 175 | -73.7 | 171.5 | 0 | 0 | 0 | 112.6 | K142 L143 K144 N150 | K142-L146 HydrophobicContact CD-CG 4.46Å; K142-L146 HydrophobicContact CG-CD1 4.23Å; K142-L146 WeakPolarHBondContact O-CB 3.12Å; K142-L146 WeakPolarHBondContact O-CG 3.22Å; K142-L146 PolarHBondContact O-N 2.89Å; L143-L146 PolarHBondContact O-N 2.89Å; K144-L146 VanDerWaalsContact C-N 3.32Å; K144-L146 PolarHBondContact O-N 2.81Å; L146-N150 VanDerWaalsContact O-CB 3.28Å; L146-N150 WeakPolarHBondContact O-CB 3.37Å; L146-N150 PolarHBondContact O-N 3.43Å |
| 147 | E | 96.8 | Very high | 95.9 | Very high | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 173.2 | -77.9 | 173.1 | 169.6 | 0 | 0 | 110.9 | L143 K144 N150 V151 | L143-E147 HydrophobicContact CD2-CG 4.4Å; L143-E147 WeakPolarHBondContact CD2-OE1 3.32Å; L143-E147 WeakPolarHBondContact O-CB 3.4Å; L143-E147 VanDerWaalsContact O-CG 3.27Å; L143-E147 WeakPolarHBondContact O-CG 3.22Å; L143-E147 PolarHBondContact O-N 3.41Å; K144-E147 WeakPolarHBondContact O-CB 3.41Å; K144-E147 PolarHBondContact O-N 2.84Å; E147-N150 PolarHBondContact O-N 2.88Å; E147-V151 WeakPolarHBondContact O-CG2 3.41Å; E147-V151 PolarHBondContact O-N 3.16Å |
| 148 | E | 97.3 | Very high | 96.4 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.5 | -71.5 | 172.6 | -168.1 | 0 | 0 | 111.1 | K144 D145 N150 V151 V152 | K144-E148 WeakPolarHBondContact CE-OE1 3.22Å; K144-E148 IonicContact NZ-OE1 2.66Å; K144-E148 PolarHBondContact NZ-OE1 3.31Å; K144-E148 WeakPolarHBondContact O-CG 3.31Å; K144-E148 PolarHBondContact O-N 3.32Å; D145-E148 PolarHBondContact O-N 3.49Å; E148-N150 VanDerWaalsContact C-N 3.33Å; E148-N150 PolarHBondContact O-N 3.48Å; E148-V151 WeakPolarHBondContact O-CB 3.45Å; E148-V151 PolarHBondContact O-N 2.75Å; E148-V151 VanDerWaalsContact O-N 3.15Å; E148-V152 WeakPolarHBondContact O-CG2 3.33Å; E148-V152 PolarHBondContact O-N 2.77Å |
| 149 | E | 97.4 | Very high | 96.8 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 174.7 | -171.8 | -178.8 | 172.2 | 0 | 0 | 111.8 | D145 V151 V152 L153 | D145-E149 WeakPolarHBondContact O-CB 3.34Å; D145-E149 PolarHBondContact O-N 3.19Å; E149-V151 VanDerWaalsContact C-N 3.31Å; E149-V151 PolarHBondContact O-N 2.88Å; E149-V152 PolarHBondContact O-N 2.94Å; E149-L153 HydrophobicContact CG-CD1 4.15Å; E149-L153 HydrophobicContact CG-CG 4.45Å; E149-L153 WeakPolarHBondContact O-CB 3.24Å; E149-L153 VanDerWaalsContact O-CG 3.3Å; E149-L153 WeakPolarHBondContact O-CG 3.45Å; E149-L153 PolarHBondContact O-N 3.42Å |
| 150 | N | 96.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 97 Ų | 97 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -34.9 | 176.8 | -160.3 | -95 | 0 | 0 | 0 | 112.4 | L146 E147 E148 R154 | L146-N150 VanDerWaalsContact O-CB 3.28Å; L146-N150 WeakPolarHBondContact O-CB 3.37Å; L146-N150 PolarHBondContact O-N 3.43Å; E147-N150 PolarHBondContact O-N 2.88Å; E148-N150 VanDerWaalsContact C-N 3.33Å; E148-N150 PolarHBondContact O-N 3.48Å; N150-R154 WeakPolarHBondContact O-CB 3.4Å; N150-R154 VanDerWaalsContact O-CG 3.26Å; N150-R154 WeakPolarHBondContact O-CG 3.42Å; N150-R154 PolarHBondContact O-N 3.37Å; N150-R154 VanDerWaalsContact O-N 3.12Å; N150-R154 PolarHBondContact OD1-NE 2.97Å; N150-R154 PolarHBondContact OD1-NH1 3.2Å; N150-R154 VanDerWaalsContact OD1-NH1 3.13Å; N150-R154 PolarHBondContact OD1-NH2 3.44Å |
| 151 | V | 98.1 | Very high | 97.3 | Very high | 95 Ų | 95 | 98 Ų | 98 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67 | -45.5 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | E147 E148 E149 R154 S155 | E147-V151 WeakPolarHBondContact O-CG2 3.41Å; E147-V151 PolarHBondContact O-N 3.16Å; E148-V151 WeakPolarHBondContact O-CB 3.45Å; E148-V151 PolarHBondContact O-N 2.75Å; E148-V151 VanDerWaalsContact O-N 3.15Å; E149-V151 VanDerWaalsContact C-N 3.31Å; E149-V151 PolarHBondContact O-N 2.88Å; V151-R154 PolarHBondContact O-N 3.43Å; V151-S155 PolarHBondContact O-N 3.41Å; V151-S155 PolarHBondContact O-OG 3.45Å |
| 152 | V | 98.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 95.1 Ų | 95.1 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | E148 E149 R154 S155 E156 | E148-V152 WeakPolarHBondContact O-CG2 3.33Å; E148-V152 PolarHBondContact O-N 2.77Å; E149-V152 PolarHBondContact O-N 2.94Å; V152-R154 PolarHBondContact O-N 2.91Å; V152-S155 WeakPolarHBondContact CA-OG 3.47Å; V152-S155 PolarHBondContact O-N 2.9Å; V152-S155 VanDerWaalsContact O-N 3.07Å; V152-S155 PolarHBondContact O-OG 3.29Å; V152-E156 WeakPolarHBondContact O-CB 3.21Å; V152-E156 PolarHBondContact O-N 3.47Å |
| 153 | L | 98.1 | Very high | 97.6 | Very high | 88 Ų | 88 | 93.2 Ų | 93.2 | 46% | 0.461 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -35.3 | 177.1 | -72.5 | 171.6 | 0 | 0 | 0 | 112.1 | E149 A157 | E149-L153 HydrophobicContact CG-CD1 4.15Å; E149-L153 HydrophobicContact CG-CG 4.45Å; E149-L153 WeakPolarHBondContact O-CB 3.24Å; E149-L153 VanDerWaalsContact O-CG 3.3Å; E149-L153 WeakPolarHBondContact O-CG 3.45Å; E149-L153 PolarHBondContact O-N 3.42Å; L153-A157 VanDerWaalsContact O-CB 3.24Å; L153-A157 WeakPolarHBondContact O-CB 3.45Å; L153-A157 PolarHBondContact O-N 2.9Å |
| 154 | R | 98.2 | Very high | 97.7 | Very high | 174 Ų | 174 | 92 Ų | 92 | 66% | 0.657 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.1 | -38.5 | 174.7 | -79 | 176.6 | 175.7 | 149.8 | 4.3 | 112.6 | N150 V151 V152 S158 | N150-R154 WeakPolarHBondContact O-CB 3.4Å; N150-R154 VanDerWaalsContact O-CG 3.26Å; N150-R154 WeakPolarHBondContact O-CG 3.42Å; N150-R154 PolarHBondContact O-N 3.37Å; N150-R154 VanDerWaalsContact O-N 3.12Å; N150-R154 PolarHBondContact OD1-NE 2.97Å; N150-R154 PolarHBondContact OD1-NH1 3.2Å; N150-R154 VanDerWaalsContact OD1-NH1 3.13Å; N150-R154 PolarHBondContact OD1-NH2 3.44Å; V151-R154 PolarHBondContact O-N 3.43Å; V152-R154 PolarHBondContact O-N 2.91Å; R154-S158 WeakPolarHBondContact O-CB 3.33Å; R154-S158 PolarHBondContact O-N 3.4Å |
| 155 | S | 97.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 89.9 Ų | 89.9 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 173.9 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | V151 V152 S158 Q159 | V151-S155 PolarHBondContact O-N 3.41Å; V151-S155 PolarHBondContact O-OG 3.45Å; V152-S155 WeakPolarHBondContact CA-OG 3.47Å; V152-S155 PolarHBondContact O-N 2.9Å; V152-S155 VanDerWaalsContact O-N 3.07Å; V152-S155 PolarHBondContact O-OG 3.29Å; S155-S158 WeakPolarHBondContact O-CB 3.41Å; S155-S158 PolarHBondContact O-N 2.86Å; S155-Q159 WeakPolarHBondContact O-CB 3.48Å; S155-Q159 PolarHBondContact O-N 2.69Å |
| 156 | E | 98.1 | Very high | 97.8 | Very high | 97 Ų | 97 | 89.7 Ų | 89.7 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.8 | -172.7 | -179.2 | 172.5 | 0 | 0 | 111.1 | V152 S158 Q159 L160 | V152-E156 WeakPolarHBondContact O-CB 3.21Å; V152-E156 PolarHBondContact O-N 3.47Å; E156-S158 VanDerWaalsContact C-N 3.27Å; E156-S158 PolarHBondContact O-N 3.08Å; E156-Q159 PolarHBondContact O-N 3.05Å; E156-Q159 VanDerWaalsContact O-N 3.13Å; E156-L160 HydrophobicContact CG-CD1 4.31Å; E156-L160 WeakPolarHBondContact O-CB 3.27Å; E156-L160 WeakPolarHBondContact O-CG 3.28Å; E156-L160 PolarHBondContact O-N 3.41Å |
| 157 | A | 97.9 | Very high | 97.9 | Very high | 61 Ų | 61 | 92.4 Ų | 92.4 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.1 | -36 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L153 K161 | L153-A157 VanDerWaalsContact O-CB 3.24Å; L153-A157 WeakPolarHBondContact O-CB 3.45Å; L153-A157 PolarHBondContact O-N 2.9Å; A157-K161 WeakPolarHBondContact O-CB 3.44Å; A157-K161 PolarHBondContact O-N 2.99Å; A157-K161 VanDerWaalsContact O-N 3.11Å |
| 158 | S | 97.4 | Very high | 97.9 | Very high | 69 Ų | 69 | 92.3 Ų | 92.3 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.6 | -38.2 | 174.5 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | R154 S155 E156 T162 | R154-S158 WeakPolarHBondContact O-CB 3.33Å; R154-S158 PolarHBondContact O-N 3.4Å; S155-S158 WeakPolarHBondContact O-CB 3.41Å; S155-S158 PolarHBondContact O-N 2.86Å; E156-S158 VanDerWaalsContact C-N 3.27Å; E156-S158 PolarHBondContact O-N 3.08Å; S158-T162 PolarHBondContact O-N 3.45Å; S158-T162 VanDerWaalsContact O-N 3.09Å; S158-T162 PolarHBondContact O-OG1 3.34Å |
| 159 | Q | 98.3 | Very high | 98 | Very high | 109 Ų | 109 | 94 Ų | 94 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.9 | -49.7 | 177.5 | 178.3 | 177.2 | -4 | 0 | 0 | 110.8 | S155 E156 K161 T162 E163 | S155-Q159 WeakPolarHBondContact O-CB 3.48Å; S155-Q159 PolarHBondContact O-N 2.69Å; E156-Q159 PolarHBondContact O-N 3.05Å; E156-Q159 VanDerWaalsContact O-N 3.13Å; Q159-K161 VanDerWaalsContact C-N 3.26Å; Q159-K161 PolarHBondContact O-N 3.39Å; Q159-T162 WeakPolarHBondContact CA-OG1 3.47Å; Q159-T162 PolarHBondContact O-N 2.94Å; Q159-T162 PolarHBondContact O-OG1 3.4Å; Q159-E163 HydrophobicContact CG-CG 4.45Å; Q159-E163 VanDerWaalsContact CG-OE1 3.32Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.38Å; Q159-E163 PolarHBondContact NE2-OE1 3.47Å; Q159-E163 WeakPolarHBondContact O-CG 3.33Å; Q159-E163 PolarHBondContact O-N 2.86Å |
| 160 | L | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 95.1 Ų | 95.1 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.7 | -43.9 | 174.7 | -74.9 | 171.8 | 0 | 0 | 0 | 110.9 | E156 T162 E163 T164 | E156-L160 HydrophobicContact CG-CD1 4.31Å; E156-L160 WeakPolarHBondContact O-CB 3.27Å; E156-L160 WeakPolarHBondContact O-CG 3.28Å; E156-L160 PolarHBondContact O-N 3.41Å; L160-T162 VanDerWaalsContact C-N 3.33Å; L160-T162 PolarHBondContact O-N 3.2Å; L160-E163 PolarHBondContact O-N 3.5Å; L160-T164 WeakPolarHBondContact O-CB 3.31Å; L160-T164 PolarHBondContact O-N 3.31Å; L160-T164 PolarHBondContact O-OG1 2.76Å |
| 161 | K | 98.4 | Very high | 98 | Very high | 140 Ų | 140 | 96.9 Ų | 96.9 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.3 | -44 | 175.2 | -179 | -177.5 | 177 | -176.2 | 0 | 112.4 | A157 Q159 I165 | A157-K161 WeakPolarHBondContact O-CB 3.44Å; A157-K161 PolarHBondContact O-N 2.99Å; A157-K161 VanDerWaalsContact O-N 3.11Å; Q159-K161 VanDerWaalsContact C-N 3.26Å; Q159-K161 PolarHBondContact O-N 3.39Å; K161-I165 HydrophobicContact CG-CD1 4.25Å; K161-I165 WeakPolarHBondContact O-CD1 3.28Å; K161-I165 VanDerWaalsContact O-CG1 3.29Å; K161-I165 WeakPolarHBondContact O-CG1 3.47Å; K161-I165 PolarHBondContact O-N 3.48Å |
| 162 | T | 98.1 | Very high | 98 | Very high | 76 Ų | 76 | 97.6 Ų | 97.6 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 177.5 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | S158 Q159 L160 I165 T166 | S158-T162 PolarHBondContact O-N 3.45Å; S158-T162 VanDerWaalsContact O-N 3.09Å; S158-T162 PolarHBondContact O-OG1 3.34Å; Q159-T162 WeakPolarHBondContact CA-OG1 3.47Å; Q159-T162 PolarHBondContact O-N 2.94Å; Q159-T162 PolarHBondContact O-OG1 3.4Å; L160-T162 VanDerWaalsContact C-N 3.33Å; L160-T162 PolarHBondContact O-N 3.2Å; T162-I165 PolarHBondContact O-N 3.36Å; T162-T166 WeakPolarHBondContact O-CG2 3.46Å; T162-T166 PolarHBondContact O-N 2.81Å |
| 163 | E | 98.2 | Very high | 98 | Very high | 70 Ų | 70 | 98.5 Ų | 98.5 | 33% | 0.327 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 176.6 | -74.2 | 174 | -167.7 | 0 | 0 | 110.9 | Q159 L160 I165 T166 Y167 | Q159-E163 HydrophobicContact CG-CG 4.45Å; Q159-E163 VanDerWaalsContact CG-OE1 3.32Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.38Å; Q159-E163 PolarHBondContact NE2-OE1 3.47Å; Q159-E163 WeakPolarHBondContact O-CG 3.33Å; Q159-E163 PolarHBondContact O-N 2.86Å; L160-E163 PolarHBondContact O-N 3.5Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-I165 PolarHBondContact O-N 3.39Å; E163-T166 WeakPolarHBondContact CA-OG1 3.46Å; E163-T166 PolarHBondContact O-N 3.47Å; E163-T166 PolarHBondContact O-OG1 2.86Å; E163-Y167 HydrophobicContact CB-CD2 4.39Å; E163-Y167 HydrophobicContact CB-CE2 4.18Å; E163-Y167 WeakPolarHBondContact O-CD2 3.36Å; E163-Y167 PolarHBondContact O-N 3.37Å |
| 164 | T | 97.9 | Very high | 98 | Very high | 70 Ų | 70 | 100.2 Ų | 100.2 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.1 | -48.1 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | L160 T166 Y167 E168 | L160-T164 WeakPolarHBondContact O-CB 3.31Å; L160-T164 PolarHBondContact O-N 3.31Å; L160-T164 PolarHBondContact O-OG1 2.76Å; T164-T166 VanDerWaalsContact C-N 3.3Å; T164-T166 PolarHBondContact O-N 2.83Å; T164-Y167 PolarHBondContact O-N 3.03Å; T164-E168 HydrophobicContact CG2-CG 4.37Å; T164-E168 WeakPolarHBondContact CG2-OE1 3.34Å; T164-E168 WeakPolarHBondContact O-CB 3.14Å; T164-E168 WeakPolarHBondContact O-CG 3.49Å; T164-E168 PolarHBondContact O-N 2.88Å |
| 165 | I | 97.8 | Very high | 98.1 | Very high | 70 Ų | 70 | 95 Ų | 95 | 36% | 0.359 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 177.6 | -65.4 | 163 | 0 | 0 | 0 | 110.9 | K161 T162 E163 Y167 E168 E169 | K161-I165 HydrophobicContact CG-CD1 4.25Å; K161-I165 WeakPolarHBondContact O-CD1 3.28Å; K161-I165 VanDerWaalsContact O-CG1 3.29Å; K161-I165 WeakPolarHBondContact O-CG1 3.47Å; K161-I165 PolarHBondContact O-N 3.48Å; T162-I165 PolarHBondContact O-N 3.36Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-I165 PolarHBondContact O-N 3.39Å; I165-Y167 PolarHBondContact O-N 2.82Å; I165-E168 PolarHBondContact O-N 2.91Å; I165-E169 WeakPolarHBondContact O-CG 3.45Å; I165-E169 PolarHBondContact O-N 3.32Å |
| 166 | T | 98.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 95.1 Ų | 95.1 | 36% | 0.362 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.1 | -33.7 | 178.6 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | T162 E163 T164 K170 | T162-T166 WeakPolarHBondContact O-CG2 3.46Å; T162-T166 PolarHBondContact O-N 2.81Å; E163-T166 WeakPolarHBondContact CA-OG1 3.46Å; E163-T166 PolarHBondContact O-N 3.47Å; E163-T166 PolarHBondContact O-OG1 2.86Å; T164-T166 VanDerWaalsContact C-N 3.3Å; T164-T166 PolarHBondContact O-N 2.83Å; T166-K170 VanDerWaalsContact O-CG 3.3Å; T166-K170 WeakPolarHBondContact O-CG 3.49Å; T166-K170 PolarHBondContact O-N 3.27Å; T166-K170 VanDerWaalsContact O-N 3.13Å |
| 167 | Y | 98.3 | Very high | 98.1 | Very high | 144 Ų | 144 | 93.6 Ų | 93.6 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.7 | -43.6 | 174.7 | -73.9 | -63.8 | 0 | 0 | 0 | 111.1 | E163 T164 I165 E169 K170 E171 | E163-Y167 HydrophobicContact CB-CD2 4.39Å; E163-Y167 HydrophobicContact CB-CE2 4.18Å; E163-Y167 WeakPolarHBondContact O-CD2 3.36Å; E163-Y167 PolarHBondContact O-N 3.37Å; T164-Y167 PolarHBondContact O-N 3.03Å; I165-Y167 PolarHBondContact O-N 2.82Å; Y167-E169 VanDerWaalsContact C-N 3.3Å; Y167-E169 PolarHBondContact O-N 2.87Å; Y167-K170 PolarHBondContact O-N 3.34Å; Y167-K170 VanDerWaalsContact O-N 3.16Å; Y167-E171 PolarHBondContact O-N 3.05Å |
| 168 | E | 97.7 | Very high | 98.1 | Very high | 111 Ų | 111 | 94.3 Ų | 94.3 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.5 | -42.3 | 173.5 | -72.9 | 173.7 | 179.4 | 0 | 0 | 111.5 | T164 I165 E171 Q172 | T164-E168 HydrophobicContact CG2-CG 4.37Å; T164-E168 WeakPolarHBondContact CG2-OE1 3.34Å; T164-E168 WeakPolarHBondContact O-CB 3.14Å; T164-E168 WeakPolarHBondContact O-CG 3.49Å; T164-E168 PolarHBondContact O-N 2.88Å; I165-E168 PolarHBondContact O-N 2.91Å; E168-E171 PolarHBondContact O-N 3.25Å; E168-Q172 VanDerWaalsContact O-CB 3.29Å; E168-Q172 WeakPolarHBondContact O-CB 3.38Å; E168-Q172 PolarHBondContact O-N 3.23Å |
| 169 | E | 98.2 | Very high | 98.2 | Very high | 130 Ų | 130 | 94.1 Ų | 94.1 | 61% | 0.607 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 175.9 | -77 | 177.7 | 178 | 0 | 0 | 112.6 | I165 Y167 Q172 Q173 | I165-E169 WeakPolarHBondContact O-CG 3.45Å; I165-E169 PolarHBondContact O-N 3.32Å; Y167-E169 VanDerWaalsContact C-N 3.3Å; Y167-E169 PolarHBondContact O-N 2.87Å; E169-Q172 PolarHBondContact O-N 3.46Å; E169-Q173 WeakPolarHBondContact O-CB 3.3Å; E169-Q173 PolarHBondContact O-N 2.85Å |
| 170 | K | 98.3 | Very high | 98.2 | Very high | 124 Ų | 124 | 94.1 Ų | 94.1 | 54% | 0.539 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 176.3 | -72.9 | 171 | -174.8 | 172.9 | 0 | 111.6 | T166 Y167 Q173 L174 | T166-K170 VanDerWaalsContact O-CG 3.3Å; T166-K170 WeakPolarHBondContact O-CG 3.49Å; T166-K170 PolarHBondContact O-N 3.27Å; T166-K170 VanDerWaalsContact O-N 3.13Å; Y167-K170 PolarHBondContact O-N 3.34Å; Y167-K170 VanDerWaalsContact O-N 3.16Å; K170-Q173 WeakPolarHBondContact O-CB 3.39Å; K170-Q173 PolarHBondContact O-N 2.95Å; K170-L174 WeakPolarHBondContact O-CG 3.35Å; K170-L174 PolarHBondContact O-N 3.43Å |
| 171 | E | 97.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 175.7 | -172.5 | -172.9 | 168.2 | 0 | 0 | 110.7 | Y167 E168 Q173 L174 V175 | Y167-E171 PolarHBondContact O-N 3.05Å; E168-E171 PolarHBondContact O-N 3.25Å; E171-Q173 PolarHBondContact O-N 3.19Å; E171-L174 PolarHBondContact O-N 3.06Å; E171-L174 VanDerWaalsContact O-N 3.16Å; E171-V175 WeakPolarHBondContact O-CG2 3.43Å; E171-V175 PolarHBondContact O-N 3.4Å |
| 172 | Q | 98.1 | Very high | 98.2 | Very high | 110 Ų | 110 | 94.6 Ų | 94.6 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 176.6 | -174.7 | 59.5 | 78.9 | 0 | 0 | 112.2 | E168 E169 N176 | E168-Q172 VanDerWaalsContact O-CB 3.29Å; E168-Q172 WeakPolarHBondContact O-CB 3.38Å; E168-Q172 PolarHBondContact O-N 3.23Å; E169-Q172 PolarHBondContact O-N 3.46Å; Q172-N176 PolarHBondContact NE2-ND2 3.25Å; Q172-N176 WeakPolarHBondContact O-CB 3.34Å; Q172-N176 PolarHBondContact O-N 3.22Å; Q172-N176 PolarHBondContact O-ND2 2.83Å |
| 173 | Q | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.3 | -46.2 | 174.8 | -175.8 | 56.8 | 40.1 | 0 | 0 | 111.6 | E169 K170 E171 V175 N176 D177 | E169-Q173 WeakPolarHBondContact O-CB 3.3Å; E169-Q173 PolarHBondContact O-N 2.85Å; K170-Q173 WeakPolarHBondContact O-CB 3.39Å; K170-Q173 PolarHBondContact O-N 2.95Å; E171-Q173 PolarHBondContact O-N 3.19Å; Q173-V175 VanDerWaalsContact C-N 3.33Å; Q173-V175 PolarHBondContact O-N 2.9Å; Q173-N176 WeakPolarHBondContact O-CB 3.4Å; Q173-N176 PolarHBondContact O-N 2.98Å; Q173-N176 VanDerWaalsContact O-N 3.08Å; Q173-D177 PolarHBondContact NE2-OD1 2.98Å; Q173-D177 VanDerWaalsContact NE2-OD1 3.09Å; Q173-D177 PolarHBondContact NE2-OD2 3.47Å; Q173-D177 PolarHBondContact O-N 2.84Å |
| 174 | L | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 97.3 Ų | 97.3 | 65% | 0.654 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.6 | -42.5 | 176.2 | -69.9 | 173 | 0 | 0 | 0 | 112 | K170 E171 N176 D177 C178 | K170-L174 WeakPolarHBondContact O-CG 3.35Å; K170-L174 PolarHBondContact O-N 3.43Å; E171-L174 PolarHBondContact O-N 3.06Å; E171-L174 VanDerWaalsContact O-N 3.16Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 3.1Å; L174-D177 PolarHBondContact O-N 3.09Å; L174-C178 WeakPolarHBondContact O-CB 2.89Å; L174-C178 PolarHBondContact O-N 3.04Å |
| 175 | V | 98.6 | Very high | 98.3 | Very high | 64 Ų | 64 | 96 Ų | 96 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | E171 Q173 D177 C178 V179 | E171-V175 WeakPolarHBondContact O-CG2 3.43Å; E171-V175 PolarHBondContact O-N 3.4Å; Q173-V175 VanDerWaalsContact C-N 3.33Å; Q173-V175 PolarHBondContact O-N 2.9Å; V175-D177 VanDerWaalsContact C-N 3.33Å; V175-D177 PolarHBondContact O-N 3.09Å; V175-C178 PolarHBondContact O-N 3.27Å; V175-V179 HydrophobicContact CG1-CG2 4.33Å; V175-V179 WeakPolarHBondContact O-CB 3.49Å; V175-V179 WeakPolarHBondContact O-CG2 3.35Å; V175-V179 PolarHBondContact O-N 3.43Å |
| 176 | N | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 96.9 Ų | 96.9 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 177 | -88 | -62.1 | 0 | 0 | 0 | 112.6 | Q172 Q173 L174 V179 K180 | Q172-N176 PolarHBondContact NE2-ND2 3.25Å; Q172-N176 WeakPolarHBondContact O-CB 3.34Å; Q172-N176 PolarHBondContact O-N 3.22Å; Q172-N176 PolarHBondContact O-ND2 2.83Å; Q173-N176 WeakPolarHBondContact O-CB 3.4Å; Q173-N176 PolarHBondContact O-N 2.98Å; Q173-N176 VanDerWaalsContact O-N 3.08Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 3.1Å; N176-V179 PolarHBondContact O-N 2.69Å; N176-K180 WeakPolarHBondContact O-CB 3.39Å; N176-K180 PolarHBondContact O-N 2.91Å |
| 177 | D | 98.5 | Very high | 98.3 | Very high | 64 Ų | 64 | 98.7 Ų | 98.7 | 34% | 0.342 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 178.2 | -68.6 | -30.1 | 0 | 0 | 0 | 110.8 | Q173 L174 V175 V179 K180 E181 | Q173-D177 PolarHBondContact NE2-OD1 2.98Å; Q173-D177 VanDerWaalsContact NE2-OD1 3.09Å; Q173-D177 PolarHBondContact NE2-OD2 3.47Å; Q173-D177 PolarHBondContact O-N 2.84Å; L174-D177 PolarHBondContact O-N 3.09Å; V175-D177 VanDerWaalsContact C-N 3.33Å; V175-D177 PolarHBondContact O-N 3.09Å; D177-V179 PolarHBondContact O-N 3.49Å; D177-K180 WeakPolarHBondContact O-CB 3.4Å; D177-K180 PolarHBondContact O-N 3.2Å; D177-K180 VanDerWaalsContact O-N 3.09Å; D177-E181 WeakPolarHBondContact O-CG 3.46Å; D177-E181 PolarHBondContact O-N 3.2Å |
| 178 | C | 98.1 | Very high | 98.3 | Very high | 77 Ų | 77 | 97.7 Ų | 97.7 | 52% | 0.52 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | L174 V175 K180 E181 L182 | L174-C178 WeakPolarHBondContact O-CB 2.89Å; L174-C178 PolarHBondContact O-N 3.04Å; V175-C178 PolarHBondContact O-N 3.27Å; C178-K180 VanDerWaalsContact C-N 3.28Å; C178-K180 PolarHBondContact O-N 2.88Å; C178-E181 PolarHBondContact O-N 2.95Å; C178-L182 WeakPolarHBondContact O-CB 3.47Å; C178-L182 PolarHBondContact O-N 3.22Å |
| 179 | V | 98.7 | Very high | 98.3 | Very high | 65 Ų | 65 | 97.5 Ų | 97.5 | 39% | 0.394 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -34 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | V175 N176 D177 R183 | V175-V179 HydrophobicContact CG1-CG2 4.33Å; V175-V179 WeakPolarHBondContact O-CB 3.49Å; V175-V179 WeakPolarHBondContact O-CG2 3.35Å; V175-V179 PolarHBondContact O-N 3.43Å; N176-V179 PolarHBondContact O-N 2.69Å; D177-V179 PolarHBondContact O-N 3.49Å; V179-R183 WeakPolarHBondContact O-CB 3.05Å; V179-R183 WeakPolarHBondContact O-CG 3.45Å; V179-R183 PolarHBondContact O-N 3.42Å; V179-R183 PolarHBondContact O-NE 3.26Å |
| 180 | K | 98.5 | Very high | 98.4 | Very high | 109 Ų | 109 | 94.1 Ų | 94.1 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -47.8 | 175.7 | -176.3 | -173 | 171.8 | -165.3 | 0 | 111.1 | N176 D177 C178 L182 R183 D184 | N176-K180 WeakPolarHBondContact O-CB 3.39Å; N176-K180 PolarHBondContact O-N 2.91Å; D177-K180 WeakPolarHBondContact O-CB 3.4Å; D177-K180 PolarHBondContact O-N 3.2Å; D177-K180 VanDerWaalsContact O-N 3.09Å; C178-K180 VanDerWaalsContact C-N 3.28Å; C178-K180 PolarHBondContact O-N 2.88Å; K180-L182 VanDerWaalsContact C-N 3.3Å; K180-L182 PolarHBondContact O-N 3.06Å; K180-R183 CarbonylContact O-C 3.59Å; K180-R183 WeakPolarHBondContact O-CA 3.36Å; K180-R183 WeakPolarHBondContact O-CB 3.41Å; K180-R183 PolarHBondContact O-N 3.4Å; K180-R183 VanDerWaalsContact O-N 3.1Å; K180-D184 VanDerWaalsContact O-CG 3.31Å; K180-D184 PolarHBondContact O-N 2.8Å |
| 181 | E | 98.5 | Very high | 98.4 | Very high | 137 Ų | 137 | 90.9 Ų | 90.9 | 64% | 0.64 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.9 | -41.6 | 176.1 | -72.2 | 179.4 | -172.5 | 0 | 0 | 111.6 | D177 C178 R183 D184 A185 | D177-E181 WeakPolarHBondContact O-CG 3.46Å; D177-E181 PolarHBondContact O-N 3.2Å; C178-E181 PolarHBondContact O-N 2.95Å; E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 3.42Å; E181-D184 PolarHBondContact O-N 3.23Å; E181-A185 WeakPolarHBondContact O-CB 3.38Å; E181-A185 PolarHBondContact O-N 3.46Å |
| 182 | L | 98.4 | Very high | 98.4 | Very high | 102 Ų | 102 | 91 Ų | 91 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 175.3 | -171.2 | 141.2 | 0 | 0 | 0 | 111.9 | C178 K180 N186 | C178-L182 WeakPolarHBondContact O-CB 3.47Å; C178-L182 PolarHBondContact O-N 3.22Å; K180-L182 VanDerWaalsContact C-N 3.3Å; K180-L182 PolarHBondContact O-N 3.06Å; L182-N186 WeakPolarHBondContact CD2-ND2 3.33Å; L182-N186 WeakPolarHBondContact O-CB 3.43Å; L182-N186 VanDerWaalsContact O-CG 3.25Å; L182-N186 PolarHBondContact O-N 3.41Å; L182-N186 PolarHBondContact O-ND2 2.91Å |
| 183 | R | 98.5 | Very high | 98.5 | Very high | 126 Ų | 126 | 89.2 Ų | 89.2 | 48% | 0.475 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 172 | -82.4 | -175.4 | -97 | 117.7 | -4.9 | 111.7 | V179 K180 E181 N186 V187 | V179-R183 WeakPolarHBondContact O-CB 3.05Å; V179-R183 WeakPolarHBondContact O-CG 3.45Å; V179-R183 PolarHBondContact O-N 3.42Å; V179-R183 PolarHBondContact O-NE 3.26Å; K180-R183 CarbonylContact O-C 3.59Å; K180-R183 WeakPolarHBondContact O-CA 3.36Å; K180-R183 WeakPolarHBondContact O-CB 3.41Å; K180-R183 PolarHBondContact O-N 3.4Å; K180-R183 VanDerWaalsContact O-N 3.1Å; E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 3.42Å; R183-N186 WeakPolarHBondContact O-CB 3.49Å; R183-N186 PolarHBondContact O-N 2.95Å; R183-V187 WeakPolarHBondContact O-CG2 3.5Å; R183-V187 PolarHBondContact O-N 2.99Å |
| 184 | D | 98.5 | Very high | 98.5 | Very high | 77 Ų | 77 | 91.3 Ų | 91.3 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | -178.9 | -67.8 | -17.3 | 0 | 0 | 0 | 111.1 | K180 E181 V187 Q188 | K180-D184 VanDerWaalsContact O-CG 3.31Å; K180-D184 PolarHBondContact O-N 2.8Å; E181-D184 PolarHBondContact O-N 3.23Å; D184-V187 PolarHBondContact O-N 3.48Å; D184-Q188 WeakPolarHBondContact O-CG 3.43Å; D184-Q188 PolarHBondContact O-N 2.92Å |
| 185 | A | 98.4 | Very high | 98.5 | Very high | 44 Ų | 44 | 91 Ų | 91 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | E181 V187 Q188 I189 | E181-A185 WeakPolarHBondContact O-CB 3.38Å; E181-A185 PolarHBondContact O-N 3.46Å; A185-V187 VanDerWaalsContact C-N 3.33Å; A185-V187 PolarHBondContact O-N 3.37Å; A185-Q188 WeakPolarHBondContact O-CB 3.36Å; A185-Q188 PolarHBondContact O-N 3.34Å; A185-I189 VanDerWaalsContact O-CG1 3.3Å; A185-I189 WeakPolarHBondContact O-CG1 3.5Å; A185-I189 PolarHBondContact O-N 2.96Å |
| 186 | N | 98.3 | Very high | 98.5 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.4 | -80.3 | -27.5 | 0 | 0 | 0 | 112.6 | L182 R183 I189 A190 | L182-N186 WeakPolarHBondContact CD2-ND2 3.33Å; L182-N186 WeakPolarHBondContact O-CB 3.43Å; L182-N186 VanDerWaalsContact O-CG 3.25Å; L182-N186 PolarHBondContact O-N 3.41Å; L182-N186 PolarHBondContact O-ND2 2.91Å; R183-N186 WeakPolarHBondContact O-CB 3.49Å; R183-N186 PolarHBondContact O-N 2.95Å; N186-I189 PolarHBondContact O-N 3.27Å; N186-A190 WeakPolarHBondContact O-CB 3.39Å; N186-A190 PolarHBondContact O-N 3.32Å |
| 187 | V | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 92.9 Ų | 92.9 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 174.1 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | R183 D184 A185 A190 S191 | R183-V187 WeakPolarHBondContact O-CG2 3.5Å; R183-V187 PolarHBondContact O-N 2.99Å; D184-V187 PolarHBondContact O-N 3.48Å; A185-V187 VanDerWaalsContact C-N 3.33Å; A185-V187 PolarHBondContact O-N 3.37Å; V187-A190 PolarHBondContact O-N 2.88Å; V187-S191 PolarHBondContact O-N 3.28Å |
| 188 | Q | 98.6 | Very high | 98.5 | Very high | 122 Ų | 122 | 96.4 Ų | 96.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 175.4 | -70.4 | 174.2 | 41.9 | 0 | 0 | 111.8 | D184 A185 A190 S191 I192 | D184-Q188 WeakPolarHBondContact O-CG 3.43Å; D184-Q188 PolarHBondContact O-N 2.92Å; A185-Q188 WeakPolarHBondContact O-CB 3.36Å; A185-Q188 PolarHBondContact O-N 3.34Å; Q188-A190 VanDerWaalsContact C-N 3.3Å; Q188-A190 PolarHBondContact O-N 3.42Å; Q188-S191 WeakPolarHBondContact O-CB 3.29Å; Q188-S191 PolarHBondContact O-N 2.91Å; Q188-I192 WeakPolarHBondContact O-CG1 3.36Å; Q188-I192 PolarHBondContact O-N 3.45Å |
| 189 | I | 98.5 | Very high | 98.5 | Very high | 108 Ų | 108 | 99.9 Ų | 99.9 | 55% | 0.554 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -43.9 | 175.1 | -68.9 | 165.9 | 0 | 0 | 0 | 110.5 | A185 N186 I192 S193 | A185-I189 VanDerWaalsContact O-CG1 3.3Å; A185-I189 WeakPolarHBondContact O-CG1 3.5Å; A185-I189 PolarHBondContact O-N 2.96Å; N186-I189 PolarHBondContact O-N 3.27Å; I189-I192 PolarHBondContact O-N 3.41Å; I189-S193 VanDerWaalsContact O-CB 3.29Å; I189-S193 WeakPolarHBondContact O-CB 3.35Å; I189-S193 PolarHBondContact O-N 2.95Å |
| 190 | A | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 101 Ų | 101 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | N186 V187 Q188 S193 E194 | N186-A190 WeakPolarHBondContact O-CB 3.39Å; N186-A190 PolarHBondContact O-N 3.32Å; V187-A190 PolarHBondContact O-N 2.88Å; Q188-A190 VanDerWaalsContact C-N 3.3Å; Q188-A190 PolarHBondContact O-N 3.42Å; A190-S193 PolarHBondContact O-N 3.44Å; A190-E194 PolarHBondContact O-N 2.88Å |
| 191 | S | 98.5 | Very high | 98.5 | Very high | 56 Ų | 56 | 100.9 Ų | 100.9 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 176.2 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | V187 Q188 S193 E194 E195 | V187-S191 PolarHBondContact O-N 3.28Å; Q188-S191 WeakPolarHBondContact O-CB 3.29Å; Q188-S191 PolarHBondContact O-N 2.91Å; S191-S193 VanDerWaalsContact C-N 3.3Å; S191-S193 PolarHBondContact O-N 3.44Å; S191-E194 PolarHBondContact O-N 3.23Å; S191-E195 WeakPolarHBondContact O-CG 3.48Å; S191-E195 PolarHBondContact O-N 2.93Å |
| 192 | I | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 96.9 Ų | 96.9 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 178.2 | -67 | 167.5 | 0 | 0 | 0 | 110.4 | Q188 I189 E194 E195 L196 | Q188-I192 WeakPolarHBondContact O-CG1 3.36Å; Q188-I192 PolarHBondContact O-N 3.45Å; I189-I192 PolarHBondContact O-N 3.41Å; I192-E194 VanDerWaalsContact C-N 3.35Å; I192-E194 PolarHBondContact O-N 2.89Å; I192-E195 PolarHBondContact O-N 2.7Å; I192-L196 WeakPolarHBondContact O-CB 3.36Å; I192-L196 PolarHBondContact O-N 2.94Å |
| 193 | S | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 94.4 Ų | 94.4 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 175.8 | -176 | 0 | 0 | 0 | 0 | 112.3 | I189 A190 S191 A197 | I189-S193 VanDerWaalsContact O-CB 3.29Å; I189-S193 WeakPolarHBondContact O-CB 3.35Å; I189-S193 PolarHBondContact O-N 2.95Å; A190-S193 PolarHBondContact O-N 3.44Å; S191-S193 VanDerWaalsContact C-N 3.3Å; S191-S193 PolarHBondContact O-N 3.44Å; S193-A197 WeakPolarHBondContact O-CB 3.49Å; S193-A197 PolarHBondContact O-N 3.15Å |
| 194 | E | 98.4 | Very high | 98.4 | Very high | 146 Ų | 146 | 90.8 Ų | 90.8 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -42.4 | 175.7 | -174.9 | 173.6 | -173.9 | 0 | 0 | 111.2 | A190 S191 I192 L196 A197 K198 | A190-E194 PolarHBondContact O-N 2.88Å; S191-E194 PolarHBondContact O-N 3.23Å; I192-E194 VanDerWaalsContact C-N 3.35Å; I192-E194 PolarHBondContact O-N 2.89Å; E194-L196 PolarHBondContact O-N 3.13Å; E194-A197 WeakPolarHBondContact O-CB 3.36Å; E194-A197 PolarHBondContact O-N 3.21Å; E194-K198 WeakPolarHBondContact O-CB 3.45Å; E194-K198 PolarHBondContact O-N 3.43Å |
| 195 | E | 98.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 92.7 Ų | 92.7 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 174.1 | -73.1 | 179.5 | -159.2 | 0 | 0 | 112.1 | S191 I192 A197 K198 K199 | S191-E195 WeakPolarHBondContact O-CG 3.48Å; S191-E195 PolarHBondContact O-N 2.93Å; I192-E195 PolarHBondContact O-N 2.7Å; E195-A197 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 3.47Å; E195-K198 PolarHBondContact O-N 3.04Å; E195-K199 WeakPolarHBondContact O-CG 3.45Å; E195-K199 PolarHBondContact O-N 3.3Å |
| 196 | L | 98.5 | Very high | 98.4 | Very high | 117 Ų | 117 | 96.4 Ų | 96.4 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -42.9 | 174.6 | -174.1 | 76.6 | 0 | 0 | 0 | 111.3 | I192 E194 K199 T200 | I192-L196 WeakPolarHBondContact O-CB 3.36Å; I192-L196 PolarHBondContact O-N 2.94Å; E194-L196 PolarHBondContact O-N 3.13Å; L196-K199 PolarHBondContact O-N 3.16Å; L196-T200 WeakPolarHBondContact O-CB 3.34Å; L196-T200 PolarHBondContact O-N 3.44Å; L196-T200 PolarHBondContact O-OG1 2.93Å |
| 197 | A | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 96.4 Ų | 96.4 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S193 E194 E195 K199 T200 E201 | S193-A197 WeakPolarHBondContact O-CB 3.49Å; S193-A197 PolarHBondContact O-N 3.15Å; E194-A197 WeakPolarHBondContact O-CB 3.36Å; E194-A197 PolarHBondContact O-N 3.21Å; E195-A197 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 3.47Å; A197-K199 PolarHBondContact O-N 2.86Å; A197-T200 WeakPolarHBondContact O-CB 3.49Å; A197-T200 PolarHBondContact O-N 3.17Å; A197-E201 PolarHBondContact O-N 3.36Å |
| 198 | K | 98.6 | Very high | 98.4 | Very high | 137 Ų | 137 | 98.3 Ų | 98.3 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.5 | -43.5 | 175.9 | -173.8 | 178.4 | 179.6 | 179.8 | 0 | 112.1 | E194 E195 T200 E201 D202 | E194-K198 WeakPolarHBondContact O-CB 3.45Å; E194-K198 PolarHBondContact O-N 3.43Å; E195-K198 PolarHBondContact O-N 3.04Å; K198-T200 VanDerWaalsContact C-N 3.3Å; K198-T200 PolarHBondContact O-N 2.91Å; K198-E201 PolarHBondContact O-N 2.95Å; K198-D202 PolarHBondContact O-N 3.44Å |
| 199 | K | 98.3 | Very high | 98.4 | Very high | 151 Ų | 151 | 98.3 Ų | 98.3 | 66% | 0.657 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -37.3 | 174.7 | -72 | -65.7 | -175.6 | -179 | 0 | 112.3 | E195 L196 A197 D202 A203 | E195-K199 WeakPolarHBondContact O-CG 3.45Å; E195-K199 PolarHBondContact O-N 3.3Å; L196-K199 PolarHBondContact O-N 3.16Å; A197-K199 PolarHBondContact O-N 2.86Å; K199-D202 PolarHBondContact O-N 3.3Å; K199-A203 WeakPolarHBondContact O-CB 3.45Å; K199-A203 PolarHBondContact O-N 3.3Å |
| 200 | T | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 97.2 Ų | 97.2 | 55% | 0.546 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | L196 A197 K198 A203 A204 | L196-T200 WeakPolarHBondContact O-CB 3.34Å; L196-T200 PolarHBondContact O-N 3.44Å; L196-T200 PolarHBondContact O-OG1 2.93Å; A197-T200 WeakPolarHBondContact O-CB 3.49Å; A197-T200 PolarHBondContact O-N 3.17Å; K198-T200 VanDerWaalsContact C-N 3.3Å; K198-T200 PolarHBondContact O-N 2.91Å; T200-A203 PolarHBondContact O-N 3.49Å; T200-A204 WeakPolarHBondContact O-CB 3.41Å; T200-A204 PolarHBondContact O-N 2.89Å |
| 201 | E | 98.5 | Very high | 98.4 | Very high | 106 Ų | 106 | 98.1 Ų | 98.1 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 174.9 | -167.6 | -168.6 | 156.1 | 0 | 0 | 112 | A197 K198 A203 A204 R205 | A197-E201 PolarHBondContact O-N 3.36Å; K198-E201 PolarHBondContact O-N 2.95Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-A203 PolarHBondContact O-N 3.37Å; E201-A204 WeakPolarHBondContact O-CB 3.42Å; E201-A204 PolarHBondContact O-N 3.24Å; E201-R205 PolarHBondContact O-N 2.92Å; E201-R205 IonicContact OE1-CZ 2.82Å; E201-R205 IonicContact OE1-NH1 3.94Å; E201-R205 PolarHBondContact OE1-NH1 2.91Å; E201-R205 IonicContact OE1-NH2 3.49Å |
| 202 | D | 98.5 | Very high | 98.5 | Very high | 52 Ų | 52 | 101.4 Ų | 101.4 | 28% | 0.278 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.3 | -76.8 | -26.9 | 0 | 0 | 0 | 111.7 | K198 K199 A204 R205 Q206 | K198-D202 PolarHBondContact O-N 3.44Å; K199-D202 PolarHBondContact O-N 3.3Å; D202-A204 VanDerWaalsContact C-N 3.33Å; D202-A204 PolarHBondContact O-N 2.78Å; D202-R205 PolarHBondContact O-N 3.49Å; D202-R205 IonicContact OD1-CZ 3.51Å; D202-R205 IonicContact OD1-NE 3.9Å; D202-R205 IonicContact OD1-NH2 3.71Å; D202-R205 PolarHBondContact OD1-NH2 2.89Å; D202-Q206 WeakPolarHBondContact O-CG 3.31Å; D202-Q206 PolarHBondContact O-N 2.87Å |
| 203 | A | 97.9 | Very high | 98.5 | Very high | 51 Ų | 51 | 99.8 Ų | 99.8 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K199 T200 E201 Q206 Q207 | K199-A203 WeakPolarHBondContact O-CB 3.45Å; K199-A203 PolarHBondContact O-N 3.3Å; T200-A203 PolarHBondContact O-N 3.49Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-A203 PolarHBondContact O-N 3.37Å; A203-Q206 PolarHBondContact O-N 2.93Å; A203-Q207 WeakPolarHBondContact O-CB 3.17Å; A203-Q207 PolarHBondContact O-N 2.97Å |
| 204 | A | 97.9 | Very high | 98.5 | Very high | 49 Ų | 49 | 100.8 Ų | 100.8 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T200 E201 D202 Q206 Q207 E208 | T200-A204 WeakPolarHBondContact O-CB 3.41Å; T200-A204 PolarHBondContact O-N 2.89Å; E201-A204 WeakPolarHBondContact O-CB 3.42Å; E201-A204 PolarHBondContact O-N 3.24Å; D202-A204 VanDerWaalsContact C-N 3.33Å; D202-A204 PolarHBondContact O-N 2.78Å; A204-Q206 PolarHBondContact O-N 3.5Å; A204-Q207 WeakPolarHBondContact O-CB 3.41Å; A204-Q207 PolarHBondContact O-N 3.37Å; A204-E208 WeakPolarHBondContact O-CG 3.38Å; A204-E208 PolarHBondContact O-N 3.19Å |
| 205 | R | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 45% | 0.445 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.9 | -76.8 | -167.3 | -83.5 | -106.4 | -0.7 | 112.3 | E201 D202 Q207 E208 E209 | E201-R205 PolarHBondContact O-N 2.92Å; E201-R205 IonicContact OE1-CZ 2.82Å; E201-R205 IonicContact OE1-NH1 3.94Å; E201-R205 PolarHBondContact OE1-NH1 2.91Å; E201-R205 IonicContact OE1-NH2 3.49Å; D202-R205 PolarHBondContact O-N 3.49Å; D202-R205 IonicContact OD1-CZ 3.51Å; D202-R205 IonicContact OD1-NE 3.9Å; D202-R205 IonicContact OD1-NH2 3.71Å; D202-R205 PolarHBondContact OD1-NH2 2.89Å; R205-Q207 VanDerWaalsContact C-N 3.32Å; R205-Q207 PolarHBondContact O-N 2.98Å; R205-E208 WeakPolarHBondContact O-CB 3.5Å; R205-E208 PolarHBondContact O-N 2.93Å; R205-E209 PolarHBondContact O-N 3.1Å |
| 206 | Q | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 96.2 Ų | 96.2 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 176.5 | -72.5 | 177.4 | -11.9 | 0 | 0 | 111.6 | D202 A203 A204 E208 E209 I210 | D202-Q206 WeakPolarHBondContact O-CG 3.31Å; D202-Q206 PolarHBondContact O-N 2.87Å; A203-Q206 PolarHBondContact O-N 2.93Å; A204-Q206 PolarHBondContact O-N 3.5Å; Q206-E208 VanDerWaalsContact C-N 3.32Å; Q206-E208 PolarHBondContact O-N 3.3Å; Q206-E209 PolarHBondContact O-N 3.43Å; Q206-I210 VanDerWaalsContact O-CG1 3.27Å; Q206-I210 WeakPolarHBondContact O-CG1 3.46Å; Q206-I210 PolarHBondContact O-N 3.48Å |
| 207 | Q | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 94.5 Ų | 94.5 | 41% | 0.407 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 175.6 | -176.6 | 59.3 | 33.3 | 0 | 0 | 112 | A203 A204 R205 T211 | A203-Q207 WeakPolarHBondContact O-CB 3.17Å; A203-Q207 PolarHBondContact O-N 2.97Å; A204-Q207 WeakPolarHBondContact O-CB 3.41Å; A204-Q207 PolarHBondContact O-N 3.37Å; R205-Q207 VanDerWaalsContact C-N 3.32Å; R205-Q207 PolarHBondContact O-N 2.98Å; Q207-T211 WeakPolarHBondContact O-CB 3.36Å; Q207-T211 PolarHBondContact O-N 3.4Å; Q207-T211 PolarHBondContact O-OG1 3.47Å |
| 208 | E | 98.5 | Very high | 98.5 | Very high | 137 Ų | 137 | 95.9 Ų | 95.9 | 64% | 0.64 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 174 | -71.7 | 177.3 | -178.7 | 0 | 0 | 112.1 | A204 R205 Q206 T211 H212 | A204-E208 WeakPolarHBondContact O-CG 3.38Å; A204-E208 PolarHBondContact O-N 3.19Å; R205-E208 WeakPolarHBondContact O-CB 3.5Å; R205-E208 PolarHBondContact O-N 2.93Å; Q206-E208 VanDerWaalsContact C-N 3.32Å; Q206-E208 PolarHBondContact O-N 3.3Å; E208-T211 WeakPolarHBondContact O-CB 3.47Å; E208-T211 PolarHBondContact O-N 3.48Å; E208-H212 PolarHBondContact O-N 3.26Å |
| 209 | E | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 93.4 Ų | 93.4 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 177 | -175.4 | 175.5 | -174.6 | 0 | 0 | 111.6 | R205 Q206 T211 H212 L213 | R205-E209 PolarHBondContact O-N 3.1Å; Q206-E209 PolarHBondContact O-N 3.43Å; E209-T211 VanDerWaalsContact C-N 3.26Å; E209-T211 PolarHBondContact O-N 2.92Å; E209-H212 PolarHBondContact O-N 2.86Å; E209-H212 VanDerWaalsContact O-N 3.15Å; E209-L213 HydrophobicContact CG-CD1 4.09Å; E209-L213 HydrophobicContact CG-CG 4.4Å; E209-L213 WeakPolarHBondContact O-CB 3.45Å; E209-L213 WeakPolarHBondContact O-CG 3.43Å; E209-L213 PolarHBondContact O-N 2.95Å |
| 210 | I | 98.4 | Very high | 98.5 | Very high | 85 Ų | 85 | 90.8 Ų | 90.8 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 174.3 | -69.7 | 166.4 | 0 | 0 | 0 | 109.8 | Q206 H212 L213 L214 | Q206-I210 VanDerWaalsContact O-CG1 3.27Å; Q206-I210 WeakPolarHBondContact O-CG1 3.46Å; Q206-I210 PolarHBondContact O-N 3.48Å; I210-H212 VanDerWaalsContact C-N 3.35Å; I210-H212 PolarHBondContact O-N 3.42Å; I210-L213 PolarHBondContact O-N 3.45Å; I210-L214 HydrophobicContact CG2-CD1 3.86Å; I210-L214 HydrophobicContact CG2-CG 4.29Å; I210-L214 WeakPolarHBondContact O-CB 3.48Å; I210-L214 VanDerWaalsContact O-CG 3.23Å; I210-L214 WeakPolarHBondContact O-CG 3.47Å; I210-L214 PolarHBondContact O-N 3.2Å |
| 211 | T | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 91.7 Ų | 91.7 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.8 | -57 | 0 | 0 | 0 | 0 | 111.6 | Q207 E208 E209 L214 S215 | Q207-T211 WeakPolarHBondContact O-CB 3.36Å; Q207-T211 PolarHBondContact O-N 3.4Å; Q207-T211 PolarHBondContact O-OG1 3.47Å; E208-T211 WeakPolarHBondContact O-CB 3.47Å; E208-T211 PolarHBondContact O-N 3.48Å; E209-T211 VanDerWaalsContact C-N 3.26Å; E209-T211 PolarHBondContact O-N 2.92Å; T211-L214 PolarHBondContact O-N 2.91Å; T211-S215 PolarHBondContact O-N 2.96Å |
| 212 | H | 98.7 | Very high | 98.5 | Very high | 125 Ų | 125 | 94 Ų | 94 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -45.3 | 176.1 | -175.5 | 70.9 | 0 | 0 | 0 | 112.3 | E208 E209 I210 S215 Q216 | E208-H212 PolarHBondContact O-N 3.26Å; E209-H212 PolarHBondContact O-N 2.86Å; E209-H212 VanDerWaalsContact O-N 3.15Å; I210-H212 VanDerWaalsContact C-N 3.35Å; I210-H212 PolarHBondContact O-N 3.42Å; H212-S215 WeakPolarHBondContact O-CB 3.24Å; H212-S215 PolarHBondContact O-N 3.21Å; H212-Q216 PolarHBondContact O-N 2.94Å |
| 213 | L | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 97.9 Ų | 97.9 | 40% | 0.398 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 177.3 | -69.7 | 174.4 | 0 | 0 | 0 | 111.7 | E209 I210 S215 Q216 I217 | E209-L213 HydrophobicContact CG-CD1 4.09Å; E209-L213 HydrophobicContact CG-CG 4.4Å; E209-L213 WeakPolarHBondContact O-CB 3.45Å; E209-L213 WeakPolarHBondContact O-CG 3.43Å; E209-L213 PolarHBondContact O-N 2.95Å; I210-L213 PolarHBondContact O-N 3.45Å; L213-S215 PolarHBondContact O-N 2.7Å; L213-Q216 PolarHBondContact O-N 2.96Å; L213-I217 WeakPolarHBondContact O-CG1 3.36Å; L213-I217 PolarHBondContact O-N 2.77Å |
| 214 | L | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 98.4 Ų | 98.4 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.4 | -73.9 | 172.9 | 0 | 0 | 0 | 111.6 | I210 T211 Q216 I217 V218 | I210-L214 HydrophobicContact CG2-CD1 3.86Å; I210-L214 HydrophobicContact CG2-CG 4.29Å; I210-L214 WeakPolarHBondContact O-CB 3.48Å; I210-L214 VanDerWaalsContact O-CG 3.23Å; I210-L214 WeakPolarHBondContact O-CG 3.47Å; I210-L214 PolarHBondContact O-N 3.2Å; T211-L214 PolarHBondContact O-N 2.91Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-Q216 PolarHBondContact O-N 3.48Å; L214-I217 PolarHBondContact O-N 2.91Å; L214-V218 WeakPolarHBondContact O-CG2 3.13Å; L214-V218 PolarHBondContact O-N 3.45Å |
| 215 | S | 98.5 | Very high | 98.6 | Very high | 68 Ų | 68 | 103 Ų | 103 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | T211 H212 L213 I217 V218 D219 | T211-S215 PolarHBondContact O-N 2.96Å; H212-S215 WeakPolarHBondContact O-CB 3.24Å; H212-S215 PolarHBondContact O-N 3.21Å; L213-S215 PolarHBondContact O-N 2.7Å; S215-I217 PolarHBondContact O-N 3.11Å; S215-V218 PolarHBondContact O-N 2.84Å; S215-D219 PolarHBondContact O-N 2.97Å |
| 216 | Q | 98.8 | Very high | 98.6 | Very high | 100 Ų | 100 | 99.7 Ų | 99.7 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 176.9 | -175.6 | 178.4 | 89 | 0 | 0 | 112.5 | H212 L213 L214 D219 L220 | H212-Q216 PolarHBondContact O-N 2.94Å; L213-Q216 PolarHBondContact O-N 2.96Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-Q216 PolarHBondContact O-N 3.48Å; Q216-D219 PolarHBondContact O-N 3.36Å; Q216-L220 HydrophobicContact CG-CD1 4.14Å; Q216-L220 WeakPolarHBondContact O-CB 3.27Å; Q216-L220 VanDerWaalsContact O-CG 3.29Å; Q216-L220 WeakPolarHBondContact O-CG 3.37Å; Q216-L220 PolarHBondContact O-N 2.93Å |
| 217 | I | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 97.4 Ų | 97.4 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 176.2 | -71.4 | 166.8 | 0 | 0 | 0 | 110.3 | L213 L214 S215 D219 L220 Q221 | L213-I217 WeakPolarHBondContact O-CG1 3.36Å; L213-I217 PolarHBondContact O-N 2.77Å; L214-I217 PolarHBondContact O-N 2.91Å; S215-I217 PolarHBondContact O-N 3.11Å; I217-D219 PolarHBondContact O-N 2.85Å; I217-L220 PolarHBondContact O-N 3.42Å; I217-Q221 HydrophobicContact CG2-CG 4.3Å; I217-Q221 WeakPolarHBondContact O-CB 3.23Å; I217-Q221 VanDerWaalsContact O-CG 3.28Å; I217-Q221 WeakPolarHBondContact O-CG 3.39Å; I217-Q221 PolarHBondContact O-N 3.26Å |
| 218 | V | 98.8 | Very high | 98.5 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 178.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L214 S215 L220 Q221 K222 | L214-V218 WeakPolarHBondContact O-CG2 3.13Å; L214-V218 PolarHBondContact O-N 3.45Å; S215-V218 PolarHBondContact O-N 2.84Å; V218-L220 PolarHBondContact O-N 3.31Å; V218-Q221 PolarHBondContact O-N 3.46Å; V218-K222 WeakPolarHBondContact O-CB 3.34Å; V218-K222 PolarHBondContact O-N 3.24Å |
| 219 | D | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 92.6 Ų | 92.6 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.3 | -82.4 | -17.9 | 0 | 0 | 0 | 112.5 | S215 Q216 I217 K222 K223 | S215-D219 PolarHBondContact O-N 2.97Å; Q216-D219 PolarHBondContact O-N 3.36Å; I217-D219 PolarHBondContact O-N 2.85Å; D219-K222 PolarHBondContact O-N 3.35Å; D219-K223 WeakPolarHBondContact O-CG 3.49Å; D219-K223 PolarHBondContact O-N 2.91Å |
| 220 | L | 98.5 | Very high | 98.5 | Very high | 96 Ų | 96 | 92 Ų | 92 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 175.3 | -73.4 | 173.8 | 0 | 0 | 0 | 111.7 | Q216 I217 V218 K222 K223 A224 | Q216-L220 HydrophobicContact CG-CD1 4.14Å; Q216-L220 WeakPolarHBondContact O-CB 3.27Å; Q216-L220 VanDerWaalsContact O-CG 3.29Å; Q216-L220 WeakPolarHBondContact O-CG 3.37Å; Q216-L220 PolarHBondContact O-N 2.93Å; I217-L220 PolarHBondContact O-N 3.42Å; V218-L220 PolarHBondContact O-N 3.31Å; L220-K222 VanDerWaalsContact C-N 3.33Å; L220-K222 PolarHBondContact O-N 3.49Å; L220-K223 PolarHBondContact O-N 2.66Å; L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 2.97Å |
| 221 | Q | 98.6 | Very high | 98.5 | Very high | 108 Ų | 108 | 92.7 Ų | 92.7 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 174.2 | -76.4 | 178 | -9 | 0 | 0 | 111.5 | I217 V218 A224 K225 | I217-Q221 HydrophobicContact CG2-CG 4.3Å; I217-Q221 WeakPolarHBondContact O-CB 3.23Å; I217-Q221 VanDerWaalsContact O-CG 3.28Å; I217-Q221 WeakPolarHBondContact O-CG 3.39Å; I217-Q221 PolarHBondContact O-N 3.26Å; V218-Q221 PolarHBondContact O-N 3.46Å; Q221-A224 PolarHBondContact O-N 2.87Å; Q221-K225 WeakPolarHBondContact O-CG 3.4Å; Q221-K225 PolarHBondContact O-N 3.49Å |
| 222 | K | 98.6 | Very high | 98.5 | Very high | 154 Ų | 154 | 94.8 Ų | 94.8 | 67% | 0.67 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 175.5 | -175.2 | 178.7 | 178 | -179.8 | 0 | 111.5 | V218 D219 L220 K225 A226 | V218-K222 WeakPolarHBondContact O-CB 3.34Å; V218-K222 PolarHBondContact O-N 3.24Å; D219-K222 PolarHBondContact O-N 3.35Å; L220-K222 VanDerWaalsContact C-N 3.33Å; L220-K222 PolarHBondContact O-N 3.49Å; K222-K225 PolarHBondContact O-N 3.34Å; K222-A226 PolarHBondContact O-N 3.45Å |
| 223 | K | 98.6 | Very high | 98.5 | Very high | 135 Ų | 135 | 93.5 Ų | 93.5 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 175.4 | -72.1 | 171.6 | -175.9 | 171.4 | 0 | 112 | D219 L220 K225 A226 C227 | D219-K223 WeakPolarHBondContact O-CG 3.49Å; D219-K223 PolarHBondContact O-N 2.91Å; L220-K223 PolarHBondContact O-N 2.66Å; K223-K225 VanDerWaalsContact C-N 3.32Å; K223-K225 PolarHBondContact O-N 3Å; K223-A226 PolarHBondContact O-N 3.45Å; K223-C227 PolarHBondContact O-N 3.25Å; K223-C227 PolarHBondContact O-SG 2.86Å; K223-C227 VanDerWaalsContact O-SG 3.35Å |
| 224 | A | 98.3 | Very high | 98.5 | Very high | 61 Ų | 61 | 95.3 Ų | 95.3 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L220 Q221 C227 A228 | L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 2.97Å; Q221-A224 PolarHBondContact O-N 2.87Å; A224-C227 PolarHBondContact O-N 3.15Å; A224-A228 WeakPolarHBondContact O-CB 3.47Å; A224-A228 PolarHBondContact O-N 3.28Å |
| 225 | K | 98.5 | Very high | 98.5 | Very high | 147 Ų | 147 | 95.1 Ų | 95.1 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 173.9 | -72.5 | 177.4 | -178.3 | -179.4 | 0 | 112.1 | Q221 K222 K223 A228 V229 | Q221-K225 WeakPolarHBondContact O-CG 3.4Å; Q221-K225 PolarHBondContact O-N 3.49Å; K222-K225 PolarHBondContact O-N 3.34Å; K223-K225 VanDerWaalsContact C-N 3.32Å; K223-K225 PolarHBondContact O-N 3Å; K225-A228 WeakPolarHBondContact O-CB 3.36Å; K225-A228 PolarHBondContact O-N 2.74Å; K225-V229 WeakPolarHBondContact O-CG2 3.5Å; K225-V229 PolarHBondContact O-N 2.96Å |
| 226 | A | 98.3 | Very high | 98.5 | Very high | 48 Ų | 48 | 98.2 Ų | 98.2 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K222 K223 A228 V229 E230 | K222-A226 PolarHBondContact O-N 3.45Å; K223-A226 PolarHBondContact O-N 3.45Å; A226-A228 VanDerWaalsContact C-N 3.28Å; A226-A228 PolarHBondContact O-N 3.28Å; A226-V229 PolarHBondContact O-N 3.27Å; A226-E230 WeakPolarHBondContact O-CG 3.48Å; A226-E230 PolarHBondContact O-N 3.11Å |
| 227 | C | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 99.7 Ų | 99.7 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -33.5 | 175.7 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | K223 A224 N231 | K223-C227 PolarHBondContact O-N 3.25Å; K223-C227 PolarHBondContact O-SG 2.86Å; K223-C227 VanDerWaalsContact O-SG 3.35Å; A224-C227 PolarHBondContact O-N 3.15Å; C227-N231 WeakPolarHBondContact O-CB 3.28Å; C227-N231 PolarHBondContact O-N 2.96Å |
| 228 | A | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 100.3 Ų | 100.3 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A224 K225 A226 N231 E232 | A224-A228 WeakPolarHBondContact O-CB 3.47Å; A224-A228 PolarHBondContact O-N 3.28Å; K225-A228 WeakPolarHBondContact O-CB 3.36Å; K225-A228 PolarHBondContact O-N 2.74Å; A226-A228 VanDerWaalsContact C-N 3.28Å; A226-A228 PolarHBondContact O-N 3.28Å; A228-N231 WeakPolarHBondContact O-CB 3.4Å; A228-N231 PolarHBondContact O-N 3.02Å; A228-E232 WeakPolarHBondContact O-CG 3.29Å; A228-E232 PolarHBondContact O-N 2.86Å |
| 229 | V | 98.5 | Very high | 98.4 | Very high | 74 Ų | 74 | 97.5 Ų | 97.5 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | K225 A226 N231 E232 E233 | K225-V229 WeakPolarHBondContact O-CG2 3.5Å; K225-V229 PolarHBondContact O-N 2.96Å; A226-V229 PolarHBondContact O-N 3.27Å; V229-N231 PolarHBondContact O-N 3.46Å; V229-E232 WeakPolarHBondContact O-CB 3.33Å; V229-E232 PolarHBondContact O-N 3.05Å; V229-E232 VanDerWaalsContact O-N 3.09Å; V229-E233 WeakPolarHBondContact O-CG 3.44Å; V229-E233 PolarHBondContact O-N 2.89Å |
| 230 | E | 98.3 | Very high | 98.4 | Very high | 111 Ų | 111 | 96.3 Ų | 96.3 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.4 | -37.8 | 175.9 | -71.8 | 173.2 | -175.8 | 0 | 0 | 111.9 | A226 E233 L234 | A226-E230 WeakPolarHBondContact O-CG 3.48Å; A226-E230 PolarHBondContact O-N 3.11Å; E230-E233 PolarHBondContact O-N 3.37Å; E230-L234 VanDerWaalsContact O-CG 3.3Å; E230-L234 WeakPolarHBondContact O-CG 3.36Å; E230-L234 PolarHBondContact O-N 3.29Å |
| 231 | N | 98 | Very high | 98.4 | Very high | 98 Ų | 98 | 94.6 Ų | 94.6 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 175.8 | -166.1 | 9.5 | 0 | 0 | 0 | 111.8 | C227 A228 V229 E233 L234 V235 | C227-N231 WeakPolarHBondContact O-CB 3.28Å; C227-N231 PolarHBondContact O-N 2.96Å; A228-N231 WeakPolarHBondContact O-CB 3.4Å; A228-N231 PolarHBondContact O-N 3.02Å; V229-N231 PolarHBondContact O-N 3.46Å; N231-E233 VanDerWaalsContact C-N 3.33Å; N231-E233 PolarHBondContact O-N 2.82Å; N231-L234 PolarHBondContact O-N 3.48Å; N231-V235 WeakPolarHBondContact O-CB 3.43Å; N231-V235 VanDerWaalsContact O-CG2 3.26Å; N231-V235 WeakPolarHBondContact O-CG2 3.43Å; N231-V235 PolarHBondContact O-N 3.24Å |
| 232 | E | 98.3 | Very high | 98.4 | Very high | 121 Ų | 121 | 93.9 Ų | 93.9 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -42.8 | 173.2 | -71.8 | 174.8 | -171.1 | 0 | 0 | 111.7 | A228 V229 V235 Q236 | A228-E232 WeakPolarHBondContact O-CG 3.29Å; A228-E232 PolarHBondContact O-N 2.86Å; V229-E232 WeakPolarHBondContact O-CB 3.33Å; V229-E232 PolarHBondContact O-N 3.05Å; V229-E232 VanDerWaalsContact O-N 3.09Å; E232-V235 PolarHBondContact O-N 3.43Å; E232-Q236 VanDerWaalsContact O-CG 3.29Å; E232-Q236 WeakPolarHBondContact O-CG 3.43Å; E232-Q236 PolarHBondContact O-N 3.24Å |
| 233 | E | 98.4 | Very high | 98.4 | Very high | 98 Ų | 98 | 90.9 Ų | 90.9 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175 | -69.2 | 175.4 | 177.4 | 0 | 0 | 111.8 | V229 E230 N231 V235 Q236 H237 | V229-E233 WeakPolarHBondContact O-CG 3.44Å; V229-E233 PolarHBondContact O-N 2.89Å; E230-E233 PolarHBondContact O-N 3.37Å; N231-E233 VanDerWaalsContact C-N 3.33Å; N231-E233 PolarHBondContact O-N 2.82Å; E233-V235 VanDerWaalsContact C-N 3.33Å; E233-V235 PolarHBondContact O-N 2.9Å; E233-Q236 WeakPolarHBondContact O-CB 3.46Å; E233-Q236 PolarHBondContact O-N 3.49Å; E233-H237 PolarHBondContact O-CD2 3.31Å; E233-H237 PolarHBondContact O-N 2.87Å |
| 234 | L | 98.4 | Very high | 98.4 | Very high | 115 Ų | 115 | 86.6 Ų | 86.6 | 60% | 0.602 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.6 | -38.7 | 176.1 | -71.6 | 174.6 | 0 | 0 | 0 | 112.3 | E230 N231 Q236 H237 L238 | E230-L234 VanDerWaalsContact O-CG 3.3Å; E230-L234 WeakPolarHBondContact O-CG 3.36Å; E230-L234 PolarHBondContact O-N 3.29Å; N231-L234 PolarHBondContact O-N 3.48Å; L234-Q236 VanDerWaalsContact C-N 3.34Å; L234-H237 PolarHBondContact O-N 3.37Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 PolarHBondContact O-N 3.5Å |
| 235 | V | 98.6 | Very high | 98.4 | Very high | 87 Ų | 87 | 89.9 Ų | 89.9 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 174.1 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | N231 E232 E233 L238 G239 | N231-V235 WeakPolarHBondContact O-CB 3.43Å; N231-V235 VanDerWaalsContact O-CG2 3.26Å; N231-V235 WeakPolarHBondContact O-CG2 3.43Å; N231-V235 PolarHBondContact O-N 3.24Å; E232-V235 PolarHBondContact O-N 3.43Å; E233-V235 VanDerWaalsContact C-N 3.33Å; E233-V235 PolarHBondContact O-N 2.9Å; V235-L238 PolarHBondContact O-N 2.93Å; V235-G239 PolarHBondContact O-N 3.39Å |
| 236 | Q | 98.5 | Very high | 98.4 | Very high | 134 Ų | 134 | 89.9 Ų | 89.9 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 174.1 | -70.9 | 172.5 | 23.8 | 0 | 0 | 111.6 | E232 E233 L234 L238 G239 A240 | E232-Q236 VanDerWaalsContact O-CG 3.29Å; E232-Q236 WeakPolarHBondContact O-CG 3.43Å; E232-Q236 PolarHBondContact O-N 3.24Å; E233-Q236 WeakPolarHBondContact O-CB 3.46Å; E233-Q236 PolarHBondContact O-N 3.49Å; L234-Q236 VanDerWaalsContact C-N 3.34Å; Q236-L238 PolarHBondContact O-N 3.41Å; Q236-G239 PolarHBondContact O-N 2.99Å; Q236-G239 VanDerWaalsContact O-N 3.16Å; Q236-A240 PolarHBondContact O-N 3.08Å |
| 237 | H | 98.4 | Very high | 98.4 | Very high | 131 Ų | 131 | 93.3 Ų | 93.3 | 61% | 0.606 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.4 | -42.6 | 175.7 | -71.4 | -47.6 | 0 | 0 | 0 | 112.5 | E233 L234 G239 A240 A241 | E233-H237 PolarHBondContact O-CD2 3.31Å; E233-H237 PolarHBondContact O-N 2.87Å; L234-H237 PolarHBondContact O-N 3.37Å; H237-G239 VanDerWaalsContact C-N 3.33Å; H237-G239 PolarHBondContact O-N 2.97Å; H237-A240 PolarHBondContact O-N 2.7Å; H237-A241 WeakPolarHBondContact O-CB 3.4Å; H237-A241 PolarHBondContact O-N 3.46Å |
| 238 | L | 98.4 | Very high | 98.4 | Very high | 95 Ų | 95 | 94.8 Ų | 94.8 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 174.4 | -174.4 | 86.7 | 0 | 0 | 0 | 111.4 | L234 V235 Q236 A241 K242 | L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 PolarHBondContact O-N 3.5Å; V235-L238 PolarHBondContact O-N 2.93Å; Q236-L238 PolarHBondContact O-N 3.41Å; L238-A241 PolarHBondContact O-N 2.98Å; L238-K242 HydrophobicContact CG-CD 4.47Å; L238-K242 WeakPolarHBondContact O-CG 3.46Å; L238-K242 PolarHBondContact O-N 3.35Å |
| 239 | G | 98.3 | Very high | 98.4 | Very high | 27 Ų | 27 | 95.4 Ų | 95.4 | 28% | 0.278 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.5 | -54.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V235 Q236 H237 A241 K242 D243 | V235-G239 PolarHBondContact O-N 3.39Å; Q236-G239 PolarHBondContact O-N 2.99Å; Q236-G239 VanDerWaalsContact O-N 3.16Å; H237-G239 VanDerWaalsContact C-N 3.33Å; H237-G239 PolarHBondContact O-N 2.97Å; G239-A241 VanDerWaalsContact C-N 3.31Å; G239-A241 PolarHBondContact O-N 2.98Å; G239-K242 WeakPolarHBondContact O-CB 3.47Å; G239-K242 PolarHBondContact O-N 2.84Å; G239-K242 VanDerWaalsContact O-N 3.11Å; G239-D243 PolarHBondContact O-N 3.48Å |
| 240 | A | 98.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 93.5 Ų | 93.5 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q236 H237 D243 A244 | Q236-A240 PolarHBondContact O-N 3.08Å; H237-A240 PolarHBondContact O-N 2.7Å; A240-D243 PolarHBondContact O-N 2.86Å; A240-A244 PolarHBondContact O-N 3.09Å |
| 241 | A | 98.2 | Very high | 98.3 | Very high | 59 Ų | 59 | 92.2 Ų | 92.2 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H237 L238 G239 A244 Q245 | H237-A241 WeakPolarHBondContact O-CB 3.4Å; H237-A241 PolarHBondContact O-N 3.46Å; L238-A241 PolarHBondContact O-N 2.98Å; G239-A241 VanDerWaalsContact C-N 3.31Å; G239-A241 PolarHBondContact O-N 2.98Å; A241-A244 PolarHBondContact O-N 3.28Å; A241-Q245 WeakPolarHBondContact O-CB 3.42Å; A241-Q245 PolarHBondContact O-N 2.99Å |
| 242 | K | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 92.5 Ų | 92.5 | 41% | 0.409 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 174.4 | -75.4 | 175.5 | 178.3 | 175.4 | 0 | 111.8 | L238 G239 Q245 R246 | L238-K242 HydrophobicContact CG-CD 4.47Å; L238-K242 WeakPolarHBondContact O-CG 3.46Å; L238-K242 PolarHBondContact O-N 3.35Å; G239-K242 WeakPolarHBondContact O-CB 3.47Å; G239-K242 PolarHBondContact O-N 2.84Å; G239-K242 VanDerWaalsContact O-N 3.11Å; K242-Q245 PolarHBondContact O-N 2.94Å; K242-R246 VanDerWaalsContact O-CG 3.28Å; K242-R246 WeakPolarHBondContact O-CG 3.42Å; K242-R246 PolarHBondContact O-N 3.45Å |
| 243 | D | 98.6 | Very high | 98.3 | Very high | 90 Ų | 90 | 92.7 Ų | 92.7 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 176.1 | -70.5 | -30.7 | 0 | 0 | 0 | 111.7 | G239 A240 Q245 R246 Q247 | G239-D243 PolarHBondContact O-N 3.48Å; A240-D243 PolarHBondContact O-N 2.86Å; D243-Q245 VanDerWaalsContact C-N 3.31Å; D243-Q245 PolarHBondContact O-N 3.29Å; D243-R246 WeakPolarHBondContact O-CB 3.29Å; D243-R246 PolarHBondContact O-N 2.94Å; D243-R246 VanDerWaalsContact O-N 3.14Å; D243-R246 IonicContact OD1-CZ 2.66Å; D243-R246 IonicContact OD1-NH1 3.57Å; D243-R246 PolarHBondContact OD1-NH1 3.04Å; D243-Q247 PolarHBondContact O-N 2.94Å |
| 244 | A | 98.3 | Very high | 98.3 | Very high | 46 Ų | 46 | 93 Ų | 93 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A240 A241 R246 Q247 L248 | A240-A244 PolarHBondContact O-N 3.09Å; A241-A244 PolarHBondContact O-N 3.28Å; A244-R246 PolarHBondContact O-N 3.2Å; A244-Q247 PolarHBondContact O-N 3.36Å; A244-L248 WeakPolarHBondContact O-CG 3.46Å; A244-L248 PolarHBondContact O-N 3.42Å |
| 245 | Q | 98.4 | Very high | 98.3 | Very high | 129 Ų | 129 | 92.6 Ų | 92.6 | 60% | 0.603 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 174.5 | -176.9 | -176.2 | -1.3 | 0 | 0 | 111.8 | A241 K242 D243 Q247 L248 T249 | A241-Q245 WeakPolarHBondContact O-CB 3.42Å; A241-Q245 PolarHBondContact O-N 2.99Å; K242-Q245 PolarHBondContact O-N 2.94Å; D243-Q245 VanDerWaalsContact C-N 3.31Å; D243-Q245 PolarHBondContact O-N 3.29Å; Q245-Q247 VanDerWaalsContact C-N 3.32Å; Q245-Q247 PolarHBondContact O-N 3.22Å; Q245-L248 PolarHBondContact O-N 3.35Å; Q245-T249 WeakPolarHBondContact O-CB 3.45Å; Q245-T249 PolarHBondContact O-N 2.99Å; Q245-T249 PolarHBondContact O-OG1 3.27Å |
| 246 | R | 98.3 | Very high | 98.3 | Very high | 147 Ų | 147 | 94.6 Ų | 94.6 | 56% | 0.555 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.9 | -41.4 | 177.1 | -72.8 | 171 | -168.7 | 124.1 | -0.9 | 111.4 | K242 D243 A244 T249 A250 | K242-R246 VanDerWaalsContact O-CG 3.28Å; K242-R246 WeakPolarHBondContact O-CG 3.42Å; K242-R246 PolarHBondContact O-N 3.45Å; D243-R246 WeakPolarHBondContact O-CB 3.29Å; D243-R246 PolarHBondContact O-N 2.94Å; D243-R246 VanDerWaalsContact O-N 3.14Å; D243-R246 IonicContact OD1-CZ 2.66Å; D243-R246 IonicContact OD1-NH1 3.57Å; D243-R246 PolarHBondContact OD1-NH1 3.04Å; A244-R246 PolarHBondContact O-N 3.2Å; R246-T249 PolarHBondContact O-N 3.38Å; R246-A250 PolarHBondContact O-N 3.4Å |
| 247 | Q | 98.5 | Very high | 98.2 | Very high | 121 Ų | 121 | 92.5 Ų | 92.5 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.6 | -50.8 | 176.9 | -176.1 | 177.2 | -8.2 | 0 | 0 | 111.4 | D243 A244 Q245 T249 A250 E251 | D243-Q247 PolarHBondContact O-N 2.94Å; A244-Q247 PolarHBondContact O-N 3.36Å; Q245-Q247 VanDerWaalsContact C-N 3.32Å; Q245-Q247 PolarHBondContact O-N 3.22Å; Q247-T249 PolarHBondContact O-N 2.92Å; Q247-A250 WeakPolarHBondContact O-CA 3.44Å; Q247-A250 WeakPolarHBondContact O-CB 3.37Å; Q247-A250 PolarHBondContact O-N 3.18Å; Q247-E251 PolarHBondContact NE2-OE1 3.19Å; Q247-E251 PolarHBondContact O-N 2.93Å |
| 248 | L | 98.2 | Very high | 98.2 | Very high | 105 Ų | 105 | 91.3 Ų | 91.3 | 55% | 0.55 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 175.8 | -70 | 172.4 | 0 | 0 | 0 | 112 | A244 Q245 A250 E251 L252 | A244-L248 WeakPolarHBondContact O-CG 3.46Å; A244-L248 PolarHBondContact O-N 3.42Å; Q245-L248 PolarHBondContact O-N 3.35Å; L248-A250 VanDerWaalsContact C-N 3.3Å; L248-A250 PolarHBondContact O-N 3.08Å; L248-E251 PolarHBondContact O-N 3.36Å; L248-L252 WeakPolarHBondContact O-CG 3.35Å; L248-L252 PolarHBondContact O-N 3.39Å |
| 249 | T | 98.1 | Very high | 98.2 | Very high | 62 Ų | 62 | 94.3 Ų | 94.3 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -32.5 | 175.4 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | Q245 R246 Q247 R253 | Q245-T249 WeakPolarHBondContact O-CB 3.45Å; Q245-T249 PolarHBondContact O-N 2.99Å; Q245-T249 PolarHBondContact O-OG1 3.27Å; R246-T249 PolarHBondContact O-N 3.38Å; Q247-T249 PolarHBondContact O-N 2.92Å; T249-R253 PolarHBondContact O-N 3.09Å |
| 250 | A | 98.3 | Very high | 98.2 | Very high | 33 Ų | 33 | 95.1 Ų | 95.1 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.9 | -46.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R246 Q247 L248 L252 R253 E254 | R246-A250 PolarHBondContact O-N 3.4Å; Q247-A250 WeakPolarHBondContact O-CA 3.44Å; Q247-A250 WeakPolarHBondContact O-CB 3.37Å; Q247-A250 PolarHBondContact O-N 3.18Å; L248-A250 VanDerWaalsContact C-N 3.3Å; L248-A250 PolarHBondContact O-N 3.08Å; A250-L252 VanDerWaalsContact C-N 3.31Å; A250-L252 PolarHBondContact O-N 2.85Å; A250-R253 WeakPolarHBondContact O-CB 3.42Å; A250-R253 PolarHBondContact O-N 3.04Å; A250-R253 VanDerWaalsContact O-N 3.09Å; A250-E254 WeakPolarHBondContact O-CG 3.5Å; A250-E254 PolarHBondContact O-N 3.11Å |
| 251 | E | 98.1 | Very high | 98.1 | Very high | 84 Ų | 84 | 97.7 Ų | 97.7 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 176.7 | -69.6 | 174.9 | -167 | 0 | 0 | 112.2 | Q247 L248 E254 L255 | Q247-E251 PolarHBondContact NE2-OE1 3.19Å; Q247-E251 PolarHBondContact O-N 2.93Å; L248-E251 PolarHBondContact O-N 3.36Å; E251-E254 PolarHBondContact O-N 2.91Å; E251-L255 WeakPolarHBondContact O-CG 3.38Å; E251-L255 PolarHBondContact O-N 3.45Å |
| 252 | L | 98.3 | Very high | 98.1 | Very high | 105 Ų | 105 | 98.3 Ų | 98.3 | 55% | 0.55 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 173.4 | -77.5 | 174.3 | 0 | 0 | 0 | 112.2 | L248 A250 L255 E256 | L248-L252 WeakPolarHBondContact O-CG 3.35Å; L248-L252 PolarHBondContact O-N 3.39Å; A250-L252 VanDerWaalsContact C-N 3.31Å; A250-L252 PolarHBondContact O-N 2.85Å; L252-L255 PolarHBondContact O-N 3.35Å; L252-E256 WeakPolarHBondContact O-CG 3.23Å; L252-E256 PolarHBondContact O-N 3.39Å |
| 253 | R | 97.8 | Very high | 98.1 | Very high | 124 Ų | 124 | 96.9 Ų | 96.9 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 177.1 | -171.9 | -175.8 | -56.8 | 91.2 | 8.8 | 111.7 | T249 A250 L255 E256 D257 | T249-R253 PolarHBondContact O-N 3.09Å; A250-R253 WeakPolarHBondContact O-CB 3.42Å; A250-R253 PolarHBondContact O-N 3.04Å; A250-R253 VanDerWaalsContact O-N 3.09Å; R253-L255 VanDerWaalsContact C-N 3.25Å; R253-L255 PolarHBondContact O-N 3.07Å; R253-E256 WeakPolarHBondContact O-CB 3.46Å; R253-E256 PolarHBondContact O-N 2.87Å; R253-E256 VanDerWaalsContact O-N 3.14Å; R253-D257 VanDerWaalsContact O-CG 3.29Å; R253-D257 PolarHBondContact O-N 2.81Å |
| 254 | E | 98 | Very high | 98 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 175.5 | -70.2 | 178 | -165.3 | 0 | 0 | 112.3 | A250 E251 K258 | A250-E254 WeakPolarHBondContact O-CG 3.5Å; A250-E254 PolarHBondContact O-N 3.11Å; E251-E254 PolarHBondContact O-N 2.91Å; E254-K258 WeakPolarHBondContact O-CB 3.48Å; E254-K258 WeakPolarHBondContact O-CD 3.4Å; E254-K258 VanDerWaalsContact O-CG 3.24Å; E254-K258 WeakPolarHBondContact O-CG 3.24Å; E254-K258 PolarHBondContact O-N 3.45Å |
| 255 | L | 97.9 | Very high | 98 | Very high | 106 Ų | 106 | 101.8 Ų | 101.8 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.1 | -38.3 | 173.6 | -74.3 | 170.8 | 0 | 0 | 0 | 112.3 | E251 L252 R253 K258 Y259 | E251-L255 WeakPolarHBondContact O-CG 3.38Å; E251-L255 PolarHBondContact O-N 3.45Å; L252-L255 PolarHBondContact O-N 3.35Å; R253-L255 VanDerWaalsContact C-N 3.25Å; R253-L255 PolarHBondContact O-N 3.07Å; L255-K258 PolarHBondContact O-N 2.88Å; L255-Y259 WeakPolarHBondContact O-CB 3.5Å; L255-Y259 PolarHBondContact O-N 3.36Å |
| 256 | E | 98 | Very high | 98 | Very high | 129 Ų | 129 | 99.4 Ų | 99.4 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 172.7 | -73.5 | 173.4 | 166.7 | 0 | 0 | 111.1 | L252 R253 Y259 A260 | L252-E256 WeakPolarHBondContact O-CG 3.23Å; L252-E256 PolarHBondContact O-N 3.39Å; R253-E256 WeakPolarHBondContact O-CB 3.46Å; R253-E256 PolarHBondContact O-N 2.87Å; R253-E256 VanDerWaalsContact O-N 3.14Å; E256-Y259 WeakPolarHBondContact O-CB 3.37Å; E256-Y259 PolarHBondContact O-N 3.19Å; E256-A260 PolarHBondContact O-N 3.39Å |
| 257 | D | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 97.2 Ų | 97.2 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.8 | -68 | -22.8 | 0 | 0 | 0 | 110.9 | R253 Y259 A260 E261 | R253-D257 VanDerWaalsContact O-CG 3.29Å; R253-D257 PolarHBondContact O-N 2.81Å; D257-Y259 VanDerWaalsContact C-N 3.29Å; D257-Y259 PolarHBondContact O-N 2.93Å; D257-A260 WeakPolarHBondContact O-CB 3.26Å; D257-A260 PolarHBondContact O-N 3.43Å; D257-A260 VanDerWaalsContact O-N 3.14Å; D257-E261 WeakPolarHBondContact O-CG 3.49Å; D257-E261 PolarHBondContact O-N 3.16Å |
| 258 | K | 98.1 | Very high | 97.8 | Very high | 106 Ų | 106 | 97.1 Ų | 97.1 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 174.7 | -74.6 | 168.1 | -173.4 | 160.1 | 0 | 112.8 | E254 L255 C262 | E254-K258 WeakPolarHBondContact O-CB 3.48Å; E254-K258 WeakPolarHBondContact O-CD 3.4Å; E254-K258 VanDerWaalsContact O-CG 3.24Å; E254-K258 WeakPolarHBondContact O-CG 3.24Å; E254-K258 PolarHBondContact O-N 3.45Å; L255-K258 PolarHBondContact O-N 2.88Å; K258-C262 PolarHBondContact O-N 3.31Å; K258-C262 PolarHBondContact O-SG 3.31Å |
| 259 | Y | 98.1 | Very high | 97.7 | Very high | 158 Ų | 158 | 94.3 Ų | 94.3 | 62% | 0.62 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | 175.6 | 176.8 | -97.4 | 0 | 0 | 0 | 111.1 | L255 E256 D257 C262 M263 | L255-Y259 WeakPolarHBondContact O-CB 3.5Å; L255-Y259 PolarHBondContact O-N 3.36Å; E256-Y259 WeakPolarHBondContact O-CB 3.37Å; E256-Y259 PolarHBondContact O-N 3.19Å; D257-Y259 VanDerWaalsContact C-N 3.29Å; D257-Y259 PolarHBondContact O-N 2.93Å; Y259-C262 PolarHBondContact O-N 2.88Å; Y259-M263 HydrophobicContact CD1-CG 4.22Å; Y259-M263 HydrophobicContact CE1-CG 3.73Å; Y259-M263 HydrophobicContact CE2-CG 4.34Å; Y259-M263 WeakPolarHBondContact O-CG 3.38Å; Y259-M263 PolarHBondContact O-N 2.91Å |
| 260 | A | 97.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 96.3 Ų | 96.3 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E256 D257 C262 M263 E264 | E256-A260 PolarHBondContact O-N 3.39Å; D257-A260 WeakPolarHBondContact O-CB 3.26Å; D257-A260 PolarHBondContact O-N 3.43Å; D257-A260 VanDerWaalsContact O-N 3.14Å; A260-C262 VanDerWaalsContact C-N 3.33Å; A260-C262 PolarHBondContact O-N 3.15Å; A260-M263 WeakPolarHBondContact O-CB 3.45Å; A260-M263 PolarHBondContact O-N 2.89Å; A260-M263 VanDerWaalsContact O-N 3.1Å; A260-E264 WeakPolarHBondContact O-CG 3.36Å; A260-E264 PolarHBondContact O-N 2.96Å |
| 261 | E | 97.6 | Very high | 97.4 | Very high | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 173.8 | -70.7 | 174.2 | -174.1 | 0 | 0 | 112.1 | D257 M263 E264 M265 | D257-E261 WeakPolarHBondContact O-CG 3.49Å; D257-E261 PolarHBondContact O-N 3.16Å; E261-M263 VanDerWaalsContact C-N 3.33Å; E261-M263 PolarHBondContact O-N 3.45Å; E261-E264 PolarHBondContact O-N 3.48Å; E261-M265 WeakPolarHBondContact O-CG 3.3Å; E261-M265 PolarHBondContact O-N 3.41Å |
| 262 | C | 97.8 | Very high | 97.2 | Very high | 72 Ų | 72 | 101.1 Ų | 101.1 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.2 | -70 | 0 | 0 | 0 | 0 | 112.5 | K258 Y259 A260 L266 | K258-C262 PolarHBondContact O-N 3.31Å; K258-C262 PolarHBondContact O-SG 3.31Å; Y259-C262 PolarHBondContact O-N 2.88Å; A260-C262 VanDerWaalsContact C-N 3.33Å; A260-C262 PolarHBondContact O-N 3.15Å; C262-L266 WeakPolarHBondContact O-CB 3.49Å; C262-L266 PolarHBondContact O-N 3Å |
| 263 | M | 98.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 101.8 Ų | 101.8 | 32% | 0.315 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 175.4 | -78.1 | -66.1 | -62.5 | 0 | 0 | 111.7 | Y259 A260 E261 L266 H267 | Y259-M263 HydrophobicContact CD1-CG 4.22Å; Y259-M263 HydrophobicContact CE1-CG 3.73Å; Y259-M263 HydrophobicContact CE2-CG 4.34Å; Y259-M263 WeakPolarHBondContact O-CG 3.38Å; Y259-M263 PolarHBondContact O-N 2.91Å; A260-M263 WeakPolarHBondContact O-CB 3.45Å; A260-M263 PolarHBondContact O-N 2.89Å; A260-M263 VanDerWaalsContact O-N 3.1Å; E261-M263 VanDerWaalsContact C-N 3.33Å; E261-M263 PolarHBondContact O-N 3.45Å; M263-L266 PolarHBondContact O-N 2.94Å; M263-H267 PolarHBondContact O-CD2 2.98Å; M263-H267 PolarHBondContact O-N 3.48Å |
| 264 | E | 97.3 | Very high | 96.7 | Very high | 121 Ų | 121 | 100.6 Ų | 100.6 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -51 | 174.6 | -73.9 | -179.7 | 176.9 | 0 | 0 | 111.2 | A260 E261 L266 H267 E268 | A260-E264 WeakPolarHBondContact O-CG 3.36Å; A260-E264 PolarHBondContact O-N 2.96Å; E261-E264 PolarHBondContact O-N 3.48Å; E264-L266 PolarHBondContact O-N 3.26Å; E264-H267 CarbonylContact O-C 3.57Å; E264-H267 WeakPolarHBondContact O-CA 3.47Å; E264-H267 WeakPolarHBondContact O-CB 3.31Å; E264-H267 PolarHBondContact O-N 2.88Å; E264-E268 WeakPolarHBondContact O-CG 3.36Å; E264-E268 PolarHBondContact O-N 3.21Å |
| 265 | M | 97.5 | Very high | 96.4 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.7 | -36.4 | 175.5 | -71.8 | -163 | -64.6 | 0 | 0 | 112.5 | E261 E268 A269 | E261-M265 WeakPolarHBondContact O-CG 3.3Å; E261-M265 PolarHBondContact O-N 3.41Å; M265-E268 PolarHBondContact O-N 3.3Å; M265-A269 WeakPolarHBondContact O-CB 3.42Å; M265-A269 PolarHBondContact O-N 2.85Å |
| 266 | L | 97.5 | Very high | 95.9 | Very high | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.414 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 174.7 | 177.2 | 146.7 | 0 | 0 | 0 | 111.4 | C262 M263 E264 A269 Q270 | C262-L266 WeakPolarHBondContact O-CB 3.49Å; C262-L266 PolarHBondContact O-N 3Å; M263-L266 PolarHBondContact O-N 2.94Å; E264-L266 PolarHBondContact O-N 3.26Å; L266-A269 PolarHBondContact O-N 2.88Å; L266-Q270 HydrophobicContact CD2-CG 4.31Å; L266-Q270 WeakPolarHBondContact O-CB 3.38Å; L266-Q270 VanDerWaalsContact O-CG 3.22Å; L266-Q270 WeakPolarHBondContact O-CG 3.27Å; L266-Q270 PolarHBondContact O-N 2.81Å |
| 267 | H | 97.2 | Very high | 95.4 | Very high | 100 Ų | 100 | 101.4 Ų | 101.4 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 174.9 | -76 | -46.3 | 0 | 0 | 0 | 112 | M263 E264 Q270 E271 | M263-H267 PolarHBondContact O-CD2 2.98Å; M263-H267 PolarHBondContact O-N 3.48Å; E264-H267 CarbonylContact O-C 3.57Å; E264-H267 WeakPolarHBondContact O-CA 3.47Å; E264-H267 WeakPolarHBondContact O-CB 3.31Å; E264-H267 PolarHBondContact O-N 2.88Å; H267-Q270 PolarHBondContact ND1-OE1 3.31Å; H267-Q270 PolarHBondContact O-N 2.83Å; H267-E271 PolarHBondContact O-N 3.5Å |
| 268 | E | 96.1 | Very high | 94.6 | Very high | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.6 | -51.6 | 173.1 | -72.1 | 177.7 | 172.6 | 0 | 0 | 111.2 | E264 M265 Q270 E271 E272 | E264-E268 WeakPolarHBondContact O-CG 3.36Å; E264-E268 PolarHBondContact O-N 3.21Å; M265-E268 PolarHBondContact O-N 3.3Å; E268-Q270 VanDerWaalsContact C-N 3.31Å; E268-Q270 PolarHBondContact O-N 3.43Å; E268-E271 CarbonylContact O-C 3.56Å; E268-E271 PolarHBondContact O-N 3.06Å; E268-E271 VanDerWaalsContact O-N 3.13Å; E268-E272 WeakPolarHBondContact O-CG 3.28Å; E268-E272 PolarHBondContact O-N 3.48Å |
| 269 | A | 96.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 105 Ų | 105 | 37% | 0.372 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M265 L266 E272 L273 | M265-A269 WeakPolarHBondContact O-CB 3.42Å; M265-A269 PolarHBondContact O-N 2.85Å; L266-A269 PolarHBondContact O-N 2.88Å; A269-E272 PolarHBondContact O-N 3.45Å; A269-L273 WeakPolarHBondContact O-CG 3.44Å; A269-L273 PolarHBondContact O-N 2.98Å |
| 270 | Q | 95.8 | Very high | 92 | Very high | 105 Ų | 105 | 102.9 Ų | 102.9 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 173.6 | -77.6 | 177.3 | -12.2 | 0 | 0 | 112.1 | L266 H267 E268 L273 K274 | L266-Q270 HydrophobicContact CD2-CG 4.31Å; L266-Q270 WeakPolarHBondContact O-CB 3.38Å; L266-Q270 VanDerWaalsContact O-CG 3.22Å; L266-Q270 WeakPolarHBondContact O-CG 3.27Å; L266-Q270 PolarHBondContact O-N 2.81Å; H267-Q270 PolarHBondContact ND1-OE1 3.31Å; H267-Q270 PolarHBondContact O-N 2.83Å; E268-Q270 VanDerWaalsContact C-N 3.31Å; E268-Q270 PolarHBondContact O-N 3.43Å; Q270-L273 PolarHBondContact O-N 2.61Å; Q270-K274 WeakPolarHBondContact O-CB 3.47Å; Q270-K274 PolarHBondContact O-N 3.46Å |
| 271 | E | 94.8 | Very high | 89.8 | Confident | 90 Ų | 90 | 107 Ų | 107 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.3 | -36.5 | 175.4 | -78 | -63.1 | 143.4 | 0 | 0 | 111.7 | H267 E268 K274 N275 | H267-E271 PolarHBondContact O-N 3.5Å; E268-E271 CarbonylContact O-C 3.56Å; E268-E271 PolarHBondContact O-N 3.06Å; E268-E271 VanDerWaalsContact O-N 3.13Å; E271-K274 VanDerWaalsContact CD-NZ 3.33Å; E271-K274 PolarHBondContact O-N 3.2Å; E271-K274 IonicContact OE1-NZ 2.61Å; E271-K274 PolarHBondContact OE1-NZ 2.88Å; E271-K274 IonicContact OE2-NZ 3.8Å; E271-K274 PolarHBondContact OE2-NZ 3.14Å; E271-N275 VanDerWaalsContact O-CB 3.3Å; E271-N275 WeakPolarHBondContact O-CB 3.37Å; E271-N275 PolarHBondContact O-N 3.39Å; E271-N275 PolarHBondContact O-ND2 2.94Å |
| 272 | E | 94.3 | Very high | 87.4 | Confident | 127 Ų | 127 | 106.3 Ų | 106.3 | 59% | 0.593 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61 | -46 | 171.7 | -73.9 | -174.3 | 166.8 | 0 | 0 | 112.2 | E268 A269 K274 N275 L276 | E268-E272 WeakPolarHBondContact O-CG 3.28Å; E268-E272 PolarHBondContact O-N 3.48Å; A269-E272 PolarHBondContact O-N 3.45Å; E272-K274 VanDerWaalsContact C-N 3.33Å; E272-K274 PolarHBondContact O-N 2.85Å; E272-N275 CarbonylContact O-C 3.58Å; E272-N275 WeakPolarHBondContact O-CB 3.31Å; E272-N275 PolarHBondContact O-N 2.93Å; E272-L276 WeakPolarHBondContact O-CG 3.38Å; E272-L276 PolarHBondContact O-N 3.37Å |
| 273 | L | 91.4 | Very high | 85.1 | Confident | 119 Ų | 119 | 111.4 Ų | 111.4 | 62% | 0.623 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.1 | -41.3 | 175.1 | -75.3 | 174.4 | 0 | 0 | 0 | 112 | A269 Q270 L276 R277 | A269-L273 WeakPolarHBondContact O-CG 3.44Å; A269-L273 PolarHBondContact O-N 2.98Å; Q270-L273 PolarHBondContact O-N 2.61Å; L273-L276 PolarHBondContact O-N 2.9Å; L273-R277 WeakPolarHBondContact O-CB 3.48Å; L273-R277 PolarHBondContact O-N 2.69Å |
| 274 | K | 93.3 | Very high | 82.5 | Confident | 100 Ų | 100 | 113.8 Ų | 113.8 | 44% | 0.435 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -41.2 | 174.6 | -179.4 | 176.7 | 158.9 | -147 | 0 | 111.3 | Q270 E271 E272 R277 N278 | Q270-K274 WeakPolarHBondContact O-CB 3.47Å; Q270-K274 PolarHBondContact O-N 3.46Å; E271-K274 VanDerWaalsContact CD-NZ 3.33Å; E271-K274 PolarHBondContact O-N 3.2Å; E271-K274 IonicContact OE1-NZ 2.61Å; E271-K274 PolarHBondContact OE1-NZ 2.88Å; E271-K274 IonicContact OE2-NZ 3.8Å; E271-K274 PolarHBondContact OE2-NZ 3.14Å; E272-K274 VanDerWaalsContact C-N 3.33Å; E272-K274 PolarHBondContact O-N 2.85Å; K274-R277 PolarHBondContact O-N 2.92Å; K274-N278 WeakPolarHBondContact O-CB 3.42Å; K274-N278 PolarHBondContact O-N 3.5Å; K274-N278 PolarHBondContact O-ND2 2.88Å; K274-N278 PolarHBondContact O-OD1 3.28Å |
| 275 | N | 91.2 | Very high | 80 | Confident | 75 Ų | 75 | 114.1 Ų | 114.1 | 40% | 0.401 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.4 | -40.6 | 175.1 | -73.6 | -33.8 | 0 | 0 | 0 | 112.2 | E271 E272 N278 K279 | E271-N275 VanDerWaalsContact O-CB 3.3Å; E271-N275 WeakPolarHBondContact O-CB 3.37Å; E271-N275 PolarHBondContact O-N 3.39Å; E271-N275 PolarHBondContact O-ND2 2.94Å; E272-N275 CarbonylContact O-C 3.58Å; E272-N275 WeakPolarHBondContact O-CB 3.31Å; E272-N275 PolarHBondContact O-N 2.93Å; N275-N278 PolarHBondContact O-N 3.48Å; N275-K279 WeakPolarHBondContact O-CB 3.05Å; N275-K279 VanDerWaalsContact O-CG 3.29Å; N275-K279 WeakPolarHBondContact O-CG 3.38Å; N275-K279 PolarHBondContact O-N 3.3Å |
| 276 | L | 88.3 | Confident | 77.7 | Confident | 100 Ų | 100 | 114.3 Ų | 114.3 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.5 | -45.2 | 172.4 | -74.5 | 173.2 | 0 | 0 | 0 | 111.1 | E272 L273 N278 K279 T280 | E272-L276 WeakPolarHBondContact O-CG 3.38Å; E272-L276 PolarHBondContact O-N 3.37Å; L273-L276 PolarHBondContact O-N 2.9Å; L276-N278 VanDerWaalsContact C-N 3.28Å; L276-N278 PolarHBondContact O-N 3.11Å; L276-K279 PolarHBondContact O-N 2.95Å; L276-K279 VanDerWaalsContact O-N 3.14Å; L276-T280 WeakPolarHBondContact O-CB 3.38Å; L276-T280 PolarHBondContact O-N 3.35Å; L276-T280 PolarHBondContact O-OG1 3.4Å |
| 277 | R | 86.9 | Confident | 75.5 | Confident | 182 Ų | 182 | 118.2 Ų | 118.2 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.7 | -40.9 | 174.1 | 178.1 | 178.8 | 167.5 | -179.7 | -3.2 | 111.8 | L273 K274 M281 | L273-R277 WeakPolarHBondContact O-CB 3.48Å; L273-R277 PolarHBondContact O-N 2.69Å; K274-R277 PolarHBondContact O-N 2.92Å; R277-M281 WeakPolarHBondContact O-CG 3.39Å; R277-M281 PolarHBondContact O-N 2.71Å |
| 278 | N | 81.6 | Confident | 73.5 | Confident | 102 Ų | 102 | 124.3 Ų | 124.3 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.4 | -31.1 | 176.9 | -68.1 | -18.5 | 0 | 0 | 0 | 112.6 | K274 N275 L276 | K274-N278 WeakPolarHBondContact O-CB 3.42Å; K274-N278 PolarHBondContact O-N 3.5Å; K274-N278 PolarHBondContact O-ND2 2.88Å; K274-N278 PolarHBondContact O-OD1 3.28Å; N275-N278 PolarHBondContact O-N 3.48Å; L276-N278 VanDerWaalsContact C-N 3.28Å; L276-N278 PolarHBondContact O-N 3.11Å |
| 279 | K | 78.6 | Confident | 71.4 | Confident | 169 Ų | 169 | 125.4 Ų | 125.4 | 74% | 0.735 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.9 | -33.8 | 177.3 | -74.7 | 172.3 | -179.3 | 175.2 | 0 | 113.5 | N275 L276 M281 | N275-K279 WeakPolarHBondContact O-CB 3.05Å; N275-K279 VanDerWaalsContact O-CG 3.29Å; N275-K279 WeakPolarHBondContact O-CG 3.38Å; N275-K279 PolarHBondContact O-N 3.3Å; L276-K279 PolarHBondContact O-N 2.95Å; L276-K279 VanDerWaalsContact O-N 3.14Å; K279-M281 VanDerWaalsContact C-N 3.31Å |
| 280 | T | 63.8 | Low | 69 | Low | 113 Ų | 113 | 128.3 Ų | 128.3 | 69% | 0.693 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.3 | -12 | -178.5 | -49.9 | 0 | 0 | 0 | 0 | 112.5 | L276 | L276-T280 WeakPolarHBondContact O-CB 3.38Å; L276-T280 PolarHBondContact O-N 3.35Å; L276-T280 PolarHBondContact O-OG1 3.4Å |
| 281 | M | 50.3 | Low | 67.1 | Low | 131 Ų | 131 | 128.7 Ų | 128.7 | 65% | 0.645 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -100.5 | 114.8 | 172.5 | -69.5 | -68.5 | 179.7 | 0 | 0 | 109.8 | R277 K279 | R277-M281 WeakPolarHBondContact O-CG 3.39Å; R277-M281 PolarHBondContact O-N 2.71Å; K279-M281 VanDerWaalsContact C-N 3.31Å |
| 282 | P | 46.6 | Very low | 65.4 | Low | 101 Ų | 101 | 131.5 Ų | 131.5 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | trans | -68.1 | 138.7 | 168.5 | 29 | -29.3 | 0 | 0 | 0 | 108.4 | T284 | P282-T284 PolarHBondContact O-N 2.9Š| ||
| 283 | N | 50.7 | Low | 63.7 | Low | 179 Ų | 179 | 126.4 Ų | 126.4 | 96% | 0.957 | 65% | 0.645 | S | S | * | * | trans | -42.7 | 100.4 | 170.2 | -92.5 | -15 | 0 | 0 | 0 | 111.4 | ||||
| 284 | T | 43.3 | Very low | 62.2 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 70% | 0.699 | 66% | 0.655 | S | S | * | * | trans | -133 | 93.4 | 164.4 | 64.5 | 0 | 0 | 0 | 0 | 109.5 | P282 | P282-T284 PolarHBondContact O-N 2.9Š| ||
| 285 | T | 43.8 | Very low | 60.5 | Low | 128 Ų | 128 | 128.3 Ų | 128.3 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | trans | 43.6 | 103.8 | 142.5 | 48.4 | 0 | 0 | 0 | 0 | 118.4 | R287 | T285-R287 PolarHBondContact O-N 2.97Š| ||
| 286 | S | 50.8 | Low | 59.3 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 85% | 0.853 | 65% | 0.646 | S | S | * | * | trans | 18.9 | 86.6 | 139.6 | -173.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 287 | R | 50.3 | Low | 57.9 | Low | 161 Ų | 161 | 127.4 Ų | 127.4 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 127.6 | 157.6 | -76.7 | -170.6 | -174.3 | -103.8 | 3.2 | 109.2 | T285 Y289 | T285-R287 PolarHBondContact O-N 2.97Å; R287-Y289 HydrophobicContact CB-CE2 4.41Å; R287-Y289 WeakPolarHBondContact O-CD2 3.25Å; R287-Y289 WeakPolarHBondContact O-CE2 3.42Å; R287-Y289 PolarHBondContact O-N 3.19Å |
| 288 | R | 55.6 | Low | 56.8 | Low | 227 Ų | 227 | 125.6 Ų | 125.6 | 86% | 0.857 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 116.4 | 172.7 | -79.9 | -164.6 | -84.9 | -176.1 | -5.5 | 109.2 | ||
| 289 | Y | 51.3 | Low | 56.2 | Low | 144 Ų | 144 | 123 Ų | 123 | 57% | 0.565 | 64% | 0.644 | S | S | * | * | B | Isolated β-bridge | trans | -89.2 | 154.7 | 171.9 | -68.9 | -89.9 | 0 | 0 | 0 | 110.6 | R287 P296 | R287-Y289 HydrophobicContact CB-CE2 4.41Å; R287-Y289 WeakPolarHBondContact O-CD2 3.25Å; R287-Y289 WeakPolarHBondContact O-CE2 3.42Å; R287-Y289 PolarHBondContact O-N 3.19Å; Y289-P296 HydrophobicContact CE1-CG 4.09Å |
| 290 | H | 46.2 | Very low | 55.6 | Low | 105 Ų | 105 | 120.8 Ų | 120.8 | 49% | 0.486 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -73.6 | 141 | 171.8 | -172.4 | -88.7 | 0 | 0 | 0 | 109.9 | L292 G293 M297 | H290-L292 PolarHBondContact ND1-N 3.08Å; H290-L292 PolarHBondContact O-N 3.08Å; H290-G293 PolarHBondContact O-N 3.41Å; H290-M297 HydrophobicContact CB-SD 4.22Å |
| 291 | S | 55.2 | Low | 55.9 | Low | 114 Ų | 114 | 117.1 Ų | 117.1 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -5.2 | -174.1 | 38.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 292 | L | 60 | Low | 56.9 | Low | 148 Ų | 148 | 112.1 Ų | 112.1 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.5 | 20.4 | 177.4 | -99.5 | 98.9 | 0 | 0 | 0 | 114.1 | H290 | H290-L292 PolarHBondContact ND1-N 3.08Å; H290-L292 PolarHBondContact O-N 3.08Å |
| 293 | G | 58.3 | Low | 58.1 | Low | 21 Ų | 21 | 113.7 Ų | 113.7 | 22% | 0.216 | 60% | 0.599 | C | S | . | * | trans | -151.3 | 137.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | H290 F295 | H290-G293 PolarHBondContact O-N 3.41Å; G293-F295 PolarHBondContact O-N 3.39Å | ||
| 294 | L | 59.9 | Low | 59 | Low | 158 Ų | 158 | 109.4 Ų | 109.4 | 83% | 0.827 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -75.7 | 4.9 | -177.3 | -86.1 | 131.3 | 0 | 0 | 0 | 114.9 | ||
| 295 | F | 59 | Low | 60.1 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 44% | 0.443 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -114.5 | 139.8 | -174.7 | -59.6 | -73.1 | 0 | 0 | 0 | 112.3 | G293 A301 | G293-F295 PolarHBondContact O-N 3.39Å; F295-A301 HydrophobicContact CD1-CB 4.13Å; F295-A301 HydrophobicContact CE1-CB 4.45Å; F295-A301 HydrophobicContact CG-CB 4.21Å |
| 296 | P | 65.3 | Low | 61.2 | Low | 34 Ų | 34 | 103 Ų | 103 | 22% | 0.221 | 54% | 0.539 | C | S | . | . | B | Isolated β-bridge | trans | -61.8 | 143.4 | 173.2 | -21.4 | 33 | 0 | 0 | 0 | 112.1 | Y289 D298 S299 | Y289-P296 HydrophobicContact CE1-CG 4.09Å; P296-D298 PolarHBondContact O-N 3.07Å; P296-S299 WeakPolarHBondContact O-CB 3.5Å; P296-S299 PolarHBondContact O-N 3.12Å |
| 297 | M | 58.5 | Low | 61.9 | Low | 121 Ų | 121 | 101.1 Ų | 101.1 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -22.9 | -174.8 | -76.8 | -67 | -66.9 | 0 | 0 | 115.5 | H290 | H290-M297 HydrophobicContact CB-SD 4.22Š|
| 298 | D | 63.6 | Low | 62.4 | Low | 145 Ų | 145 | 98.6 Ų | 98.6 | 78% | 0.775 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 11 | -176.6 | -47.8 | -31.8 | 0 | 0 | 0 | 112.8 | P296 | P296-D298 PolarHBondContact O-N 3.07Š|
| 299 | S | 70.3 | Confident | 62.7 | Low | 48 Ų | 48 | 93.3 Ų | 93.3 | 34% | 0.336 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -91.6 | 136 | -179.2 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | P296 A301 A302 E303 | P296-S299 WeakPolarHBondContact O-CB 3.5Å; P296-S299 PolarHBondContact O-N 3.12Å; S299-A301 PolarHBondContact O-N 3.41Å; S299-A302 WeakPolarHBondContact O-CA 3.36Å; S299-A302 WeakPolarHBondContact O-CB 3.41Å; S299-A302 PolarHBondContact O-N 3.4Å; S299-E303 PolarHBondContact O-N 3.36Å |
| 300 | L | 65.4 | Low | 63.1 | Low | 122 Ų | 122 | 94.2 Ų | 94.2 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -49.4 | -29.6 | 171.9 | -168.6 | 76.1 | 0 | 0 | 0 | 112.4 | E303 I304 | L300-E303 PolarHBondContact O-N 2.87Å; L300-I304 HydrophobicContact CD2-CD1 4.29Å; L300-I304 HydrophobicContact CG-CD1 4Å; L300-I304 VanDerWaalsContact O-CG1 3.23Å; L300-I304 WeakPolarHBondContact O-CG1 3.44Å; L300-I304 PolarHBondContact O-N 2.91Å |
| 301 | A | 70.3 | Confident | 63.6 | Low | 36 Ų | 36 | 96.1 Ų | 96.1 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F295 S299 E305 | F295-A301 HydrophobicContact CD1-CB 4.13Å; F295-A301 HydrophobicContact CE1-CB 4.45Å; F295-A301 HydrophobicContact CG-CB 4.21Å; S299-A301 PolarHBondContact O-N 3.41Å; A301-E305 VanDerWaalsContact O-CB 3.29Å; A301-E305 WeakPolarHBondContact O-CB 3.35Å; A301-E305 PolarHBondContact O-N 3.48Å |
| 302 | A | 71.5 | Confident | 63.6 | Low | 26 Ų | 26 | 96.2 Ų | 96.2 | 22% | 0.215 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -73.1 | -31.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S299 G306 | S299-A302 WeakPolarHBondContact O-CA 3.36Å; S299-A302 WeakPolarHBondContact O-CB 3.41Å; S299-A302 PolarHBondContact O-N 3.4Å; A302-G306 PolarHBondContact O-N 3.09Å |
| 303 | E | 71.2 | Confident | 63.2 | Low | 133 Ų | 133 | 96.6 Ų | 96.6 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.5 | -46 | 172.5 | -168 | 177.3 | -177.6 | 0 | 0 | 111.3 | S299 L300 G306 T307 | S299-E303 PolarHBondContact O-N 3.36Å; L300-E303 PolarHBondContact O-N 2.87Å; E303-G306 PolarHBondContact O-N 3.37Å; E303-T307 WeakPolarHBondContact O-CB 3.45Å; E303-T307 PolarHBondContact O-N 2.94Å; E303-T307 PolarHBondContact O-OG1 2.98Å |
| 304 | I | 69.1 | Low | 62.9 | Low | 90 Ų | 90 | 103.4 Ų | 103.4 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 175.9 | -67.3 | 164.6 | 0 | 0 | 0 | 110.9 | L300 G306 T307 M308 | L300-I304 HydrophobicContact CD2-CD1 4.29Å; L300-I304 HydrophobicContact CG-CD1 4Å; L300-I304 VanDerWaalsContact O-CG1 3.23Å; L300-I304 WeakPolarHBondContact O-CG1 3.44Å; L300-I304 PolarHBondContact O-N 2.91Å; I304-G306 VanDerWaalsContact C-N 3.35Å; I304-G306 PolarHBondContact O-N 2.9Å; I304-T307 PolarHBondContact O-N 3.33Å; I304-M308 HydrophobicContact CG2-CG 4.45Å; I304-M308 HydrophobicContact CG2-SD 4.17Å; I304-M308 WeakPolarHBondContact O-CG 3.28Å; I304-M308 PolarHBondContact O-N 3.49Å |
| 305 | E | 67 | Low | 62.4 | Low | 69 Ų | 69 | 104 Ų | 104 | 32% | 0.322 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 177.2 | -160.7 | -158.1 | -151.9 | 0 | 0 | 111.8 | A301 T307 M308 R309 | A301-E305 VanDerWaalsContact O-CB 3.29Å; A301-E305 WeakPolarHBondContact O-CB 3.35Å; A301-E305 PolarHBondContact O-N 3.48Å; E305-T307 VanDerWaalsContact C-N 3.27Å; E305-T307 PolarHBondContact O-N 2.92Å; E305-M308 PolarHBondContact O-N 3.32Å; E305-R309 VanDerWaalsContact O-CG 3.3Å; E305-R309 WeakPolarHBondContact O-CG 3.43Å; E305-R309 PolarHBondContact O-N 2.69Å; E305-R309 IonicContact OE1-CZ 2.9Å; E305-R309 IonicContact OE1-NE 3.39Å; E305-R309 IonicContact OE1-NH1 3.21Å; E305-R309 IonicContact OE1-NH2 3Å; E305-R309 PolarHBondContact OE1-NH2 2.92Å; E305-R309 IonicContact OE2-CZ 2.71Å; E305-R309 IonicContact OE2-NE 2.76Å; E305-R309 IonicContact OE2-NH2 3.89Å; E305-R309 PolarHBondContact OE2-NH2 3.36Å |
| 306 | G | 65.8 | Low | 61.8 | Low | 39 Ų | 39 | 107.2 Ų | 107.2 | 40% | 0.402 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -32.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A302 E303 I304 K310 | A302-G306 PolarHBondContact O-N 3.09Å; E303-G306 PolarHBondContact O-N 3.37Å; I304-G306 VanDerWaalsContact C-N 3.35Å; I304-G306 PolarHBondContact O-N 2.9Å; G306-K310 PolarHBondContact O-N 3.29Å |
| 307 | T | 66.6 | Low | 60.8 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -78.8 | -42.1 | 178 | -42.6 | 0 | 0 | 0 | 0 | 111.2 | E303 I304 E305 R309 K310 E311 | E303-T307 WeakPolarHBondContact O-CB 3.45Å; E303-T307 PolarHBondContact O-N 2.94Å; E303-T307 PolarHBondContact O-OG1 2.98Å; I304-T307 PolarHBondContact O-N 3.33Å; E305-T307 VanDerWaalsContact C-N 3.27Å; E305-T307 PolarHBondContact O-N 2.92Å; T307-R309 PolarHBondContact O-N 2.93Å; T307-K310 WeakPolarHBondContact O-CB 3.5Å; T307-K310 PolarHBondContact O-N 3.45Å; T307-K310 VanDerWaalsContact O-N 3.14Å; T307-E311 PolarHBondContact O-N 2.96Å |
| 308 | M | 60.5 | Low | 60.3 | Low | 108 Ų | 108 | 113.8 Ų | 113.8 | 53% | 0.532 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.3 | -37.5 | 174.2 | -72.3 | -177.5 | 69.9 | 0 | 0 | 113 | I304 E305 K310 E311 L312 | I304-M308 HydrophobicContact CG2-CG 4.45Å; I304-M308 HydrophobicContact CG2-SD 4.17Å; I304-M308 WeakPolarHBondContact O-CG 3.28Å; I304-M308 PolarHBondContact O-N 3.49Å; E305-M308 PolarHBondContact O-N 3.32Å; M308-K310 VanDerWaalsContact C-N 3.31Å; M308-E311 PolarHBondContact O-N 3.49Å; M308-L312 WeakPolarHBondContact O-CB 3.44Å; M308-L312 WeakPolarHBondContact O-CG 3.39Å; M308-L312 PolarHBondContact O-N 3.26Å |
| 309 | R | 62.6 | Low | 59.9 | Low | 115 Ų | 115 | 110.7 Ų | 110.7 | 43% | 0.434 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.3 | -33.3 | 173.7 | -70.3 | -175.7 | -143.9 | -95.1 | 20.4 | 112.2 | E305 T307 E311 Q313 | E305-R309 VanDerWaalsContact O-CG 3.3Å; E305-R309 WeakPolarHBondContact O-CG 3.43Å; E305-R309 PolarHBondContact O-N 2.69Å; E305-R309 IonicContact OE1-CZ 2.9Å; E305-R309 IonicContact OE1-NE 3.39Å; E305-R309 IonicContact OE1-NH1 3.21Å; E305-R309 IonicContact OE1-NH2 3Å; E305-R309 PolarHBondContact OE1-NH2 2.92Å; E305-R309 IonicContact OE2-CZ 2.71Å; E305-R309 IonicContact OE2-NE 2.76Å; E305-R309 IonicContact OE2-NH2 3.89Å; E305-R309 PolarHBondContact OE2-NH2 3.36Å; T307-R309 PolarHBondContact O-N 2.93Å; R309-E311 VanDerWaalsContact C-N 3.32Å; R309-Q313 WeakPolarHBondContact O-CB 3.43Å; R309-Q313 PolarHBondContact O-N 3.13Å |
| 310 | K | 59.4 | Low | 59.2 | Low | 163 Ų | 163 | 113.7 Ų | 113.7 | 71% | 0.709 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.1 | -28.3 | 176.6 | -142.6 | 174.5 | -173.4 | 177.8 | 0 | 112.2 | G306 T307 M308 | G306-K310 PolarHBondContact O-N 3.29Å; T307-K310 WeakPolarHBondContact O-CB 3.5Å; T307-K310 PolarHBondContact O-N 3.45Å; T307-K310 VanDerWaalsContact O-N 3.14Å; M308-K310 VanDerWaalsContact C-N 3.31Å |
| 311 | E | 56.1 | Low | 58.9 | Low | 145 Ų | 145 | 113.3 Ų | 113.3 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -77.5 | -40.2 | 173.2 | -156.1 | 169 | -161.1 | 0 | 0 | 111.4 | T307 M308 R309 L314 | T307-E311 PolarHBondContact O-N 2.96Å; M308-E311 PolarHBondContact O-N 3.49Å; R309-E311 VanDerWaalsContact C-N 3.32Å; E311-L314 PolarHBondContact O-N 3Å |
| 312 | L | 56 | Low | 58.4 | Low | 117 Ų | 117 | 116.5 Ų | 116.5 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.2 | -33.3 | 173.8 | -76.7 | 166.8 | 0 | 0 | 0 | 113.7 | M308 L314 E315 | M308-L312 WeakPolarHBondContact O-CB 3.44Å; M308-L312 WeakPolarHBondContact O-CG 3.39Å; M308-L312 PolarHBondContact O-N 3.26Å; L312-L314 VanDerWaalsContact C-N 3.26Å; L312-L314 PolarHBondContact O-N 3.46Å; L312-E315 PolarHBondContact O-N 3.02Å |
| 313 | Q | 52 | Low | 58 | Low | 155 Ų | 155 | 119.2 Ų | 119.2 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -12.2 | 178.1 | -89.3 | -177.8 | -30.9 | 0 | 0 | 114.5 | R309 | R309-Q313 WeakPolarHBondContact O-CB 3.43Å; R309-Q313 PolarHBondContact O-N 3.13Å |
| 314 | L | 51.1 | Low | 57.7 | Low | 164 Ų | 164 | 118.1 Ų | 118.1 | 86% | 0.859 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -4.1 | 174.6 | -134.3 | 120.5 | 0 | 0 | 0 | 112.8 | E311 L312 | E311-L314 PolarHBondContact O-N 3Å; L312-L314 VanDerWaalsContact C-N 3.26Å; L312-L314 PolarHBondContact O-N 3.46Å |
| 315 | E | 48.7 | Very low | 57.4 | Low | 170 Ų | 170 | 119.4 Ų | 119.4 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -119.8 | 18 | -177.6 | -143.6 | -179.5 | -162.7 | 0 | 0 | 113.1 | L312 A317 | L312-E315 PolarHBondContact O-N 3.02Å; E315-A317 PolarHBondContact O-N 2.85Å |
| 316 | E | 46.8 | Very low | 57.5 | Low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 64% | 0.637 | S | S | * | * | trans | -99.1 | 68 | 172 | -159.9 | 168.7 | -165.4 | 0 | 0 | 110.3 | ||||
| 317 | A | 43.9 | Very low | 57.9 | Low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 65% | 0.646 | S | S | * | * | trans | -78 | 121.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | E315 S319 | E315-A317 PolarHBondContact O-N 2.85Å; A317-S319 PolarHBondContact O-N 2.93Å | ||
| 318 | E | 48 | Very low | 58.1 | Low | 199 Ų | 199 | 128.1 Ų | 128.1 | 93% | 0.93 | 64% | 0.641 | S | S | * | * | trans | -41.7 | 123.9 | 177.9 | -79.4 | 171.8 | 130.2 | 0 | 0 | 113.8 | ||||
| 319 | S | 55.5 | Low | 58.8 | Low | 80 Ų | 80 | 129.4 Ų | 129.4 | 56% | 0.559 | 64% | 0.644 | S | S | * | * | trans | -105.5 | 126 | 160.4 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | A317 D321 | A317-S319 PolarHBondContact O-N 2.93Å; S319-D321 PolarHBondContact O-N 3.39Å; S319-D321 VanDerWaalsContact O-N 3.14Å | ||
| 320 | P | 55.5 | Low | 59.4 | Low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 0.3 | -168.3 | 28.1 | -34.3 | 0 | 0 | 0 | 115.3 | T323 | P320-T323 PolarHBondContact O-OG1 2.82Š|
| 321 | D | 58.9 | Low | 60.1 | Low | 114 Ų | 114 | 125.3 Ų | 125.3 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83 | -31.7 | -166.4 | -155.5 | 19.6 | 0 | 0 | 0 | 113.8 | S319 T323 H324 Q325 | S319-D321 PolarHBondContact O-N 3.39Å; S319-D321 VanDerWaalsContact O-N 3.14Å; D321-T323 VanDerWaalsContact C-N 3.34Å; D321-T323 PolarHBondContact O-N 3.43Å; D321-H324 PolarHBondContact O-N 2.9Å; D321-Q325 PolarHBondContact O-N 3.47Å |
| 322 | I | 61 | Low | 60.8 | Low | 103 Ų | 103 | 122 Ų | 122 | 53% | 0.528 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70 | -30.7 | -177.1 | -65.3 | 169.2 | 0 | 0 | 0 | 112.1 | K326 | I322-K326 PolarHBondContact O-N 3.39Å |
| 323 | T | 62.3 | Low | 61.9 | Low | 84 Ų | 84 | 124.2 Ų | 124.2 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -75.4 | -26.2 | 177.4 | 64 | 0 | 0 | 0 | 0 | 112.7 | P320 D321 R327 | P320-T323 PolarHBondContact O-OG1 2.82Å; D321-T323 VanDerWaalsContact C-N 3.34Å; D321-T323 PolarHBondContact O-N 3.43Å; T323-R327 PolarHBondContact O-N 3.16Å; T323-R327 PolarHBondContact O-NE 2.89Å |
| 324 | H | 64.8 | Low | 62.9 | Low | 109 Ų | 109 | 121.5 Ų | 121.5 | 51% | 0.505 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73.5 | -45.9 | 174.9 | -173.7 | 55.1 | 0 | 0 | 0 | 110.6 | D321 K326 R327 V328 | D321-H324 PolarHBondContact O-N 2.9Å; H324-K326 PolarHBondContact O-N 3.11Å; H324-R327 PolarHBondContact O-N 3.05Å; H324-V328 WeakPolarHBondContact O-CG2 3.47Å; H324-V328 PolarHBondContact O-N 3.35Å |
| 325 | Q | 63.7 | Low | 63.9 | Low | 118 Ų | 118 | 118.4 Ų | 118.4 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.7 | -41.2 | 179.7 | -160.1 | 167.6 | 17.9 | 0 | 0 | 112.4 | D321 R327 V328 F329 | D321-Q325 PolarHBondContact O-N 3.47Å; Q325-R327 PolarHBondContact O-N 3.48Å; Q325-V328 PolarHBondContact O-N 2.89Å; Q325-F329 HydrophobicContact CG-CD2 4.05Å; Q325-F329 HydrophobicContact CG-CE2 3.97Å; Q325-F329 WeakPolarHBondContact O-CD2 3.38Å; Q325-F329 PolarHBondContact O-N 2.84Å |
| 326 | K | 68.8 | Low | 64.9 | Low | 150 Ų | 150 | 115.4 Ų | 115.4 | 65% | 0.652 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.6 | -41.9 | 175 | -76.4 | -177.9 | 178 | 177.4 | 0 | 112.9 | I322 H324 F329 E330 | I322-K326 PolarHBondContact O-N 3.39Å; H324-K326 PolarHBondContact O-N 3.11Å; K326-F329 PolarHBondContact O-N 3.13Å; K326-E330 WeakPolarHBondContact O-CB 3.45Å; K326-E330 PolarHBondContact O-N 3.41Å; K326-E330 VanDerWaalsContact O-N 3.07Å |
| 327 | R | 72.9 | Confident | 66 | Low | 157 Ų | 157 | 113.1 Ų | 113.1 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.6 | -36.6 | 176.3 | -81.5 | -171.8 | -71.9 | 172.3 | -4.4 | 113 | T323 H324 Q325 E330 T331 | T323-R327 PolarHBondContact O-N 3.16Å; T323-R327 PolarHBondContact O-NE 2.89Å; H324-R327 PolarHBondContact O-N 3.05Å; Q325-R327 PolarHBondContact O-N 3.48Å; R327-E330 PolarHBondContact O-N 3.14Å; R327-T331 WeakPolarHBondContact O-CB 3.48Å; R327-T331 PolarHBondContact O-N 3.24Å; R327-T331 PolarHBondContact O-OG1 3.14Å |
| 328 | V | 72.3 | Confident | 67.1 | Low | 66 Ų | 66 | 113 Ų | 113 | 40% | 0.4 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -45.5 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | H324 Q325 E330 T331 V332 | H324-V328 WeakPolarHBondContact O-CG2 3.47Å; H324-V328 PolarHBondContact O-N 3.35Å; Q325-V328 PolarHBondContact O-N 2.89Å; V328-E330 VanDerWaalsContact C-N 3.33Å; V328-E330 PolarHBondContact O-N 2.9Å; V328-T331 PolarHBondContact O-N 2.99Å; V328-V332 VanDerWaalsContact O-CG2 3.31Å; V328-V332 WeakPolarHBondContact O-CG2 3.42Å; V328-V332 PolarHBondContact O-N 3.31Å |
| 329 | F | 75.3 | Confident | 67.8 | Low | 134 Ų | 134 | 107.9 Ų | 107.9 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.4 | -35.7 | 177.1 | -89.5 | -79.5 | 0 | 0 | 0 | 113.2 | Q325 K326 R333 | Q325-F329 HydrophobicContact CG-CD2 4.05Å; Q325-F329 HydrophobicContact CG-CE2 3.97Å; Q325-F329 WeakPolarHBondContact O-CD2 3.38Å; Q325-F329 PolarHBondContact O-N 2.84Å; K326-F329 PolarHBondContact O-N 3.13Å; F329-R333 WeakPolarHBondContact O-CB 3.43Å; F329-R333 PolarHBondContact O-N 2.96Å |
| 330 | E | 73.4 | Confident | 68.1 | Low | 113 Ų | 113 | 112 Ų | 112 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.7 | -35.1 | 177.8 | -159.5 | 161.6 | -144.9 | 0 | 0 | 112.1 | K326 R327 V328 R333 N334 | K326-E330 WeakPolarHBondContact O-CB 3.45Å; K326-E330 PolarHBondContact O-N 3.41Å; K326-E330 VanDerWaalsContact O-N 3.07Å; R327-E330 PolarHBondContact O-N 3.14Å; V328-E330 VanDerWaalsContact C-N 3.33Å; V328-E330 PolarHBondContact O-N 2.9Å; E330-R333 PolarHBondContact O-N 3.34Å; E330-N334 PolarHBondContact O-N 2.86Å; E330-N334 VanDerWaalsContact O-N 3.12Å |
| 331 | T | 74.1 | Confident | 68 | Low | 80 Ų | 80 | 114.5 Ų | 114.5 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.9 | -43 | 173.9 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | R327 V328 R333 N334 I335 | R327-T331 WeakPolarHBondContact O-CB 3.48Å; R327-T331 PolarHBondContact O-N 3.24Å; R327-T331 PolarHBondContact O-OG1 3.14Å; V328-T331 PolarHBondContact O-N 2.99Å; T331-R333 VanDerWaalsContact C-N 3.31Å; T331-R333 PolarHBondContact O-N 3.38Å; T331-N334 PolarHBondContact O-N 3.4Å; T331-I335 HydrophobicContact CG2-CD1 4Å; T331-I335 WeakPolarHBondContact O-CG1 3.24Å; T331-I335 PolarHBondContact O-N 3.2Å |
| 332 | V | 72.8 | Confident | 67.6 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -36 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | V328 N336 | V328-V332 VanDerWaalsContact O-CG2 3.31Å; V328-V332 WeakPolarHBondContact O-CG2 3.42Å; V328-V332 PolarHBondContact O-N 3.31Å; V332-N336 PolarHBondContact O-N 2.87Å; V332-N336 VanDerWaalsContact O-N 3.14Å |
| 333 | R | 77.4 | Confident | 66.8 | Low | 164 Ų | 164 | 119 Ų | 119 | 62% | 0.619 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.1 | -42.5 | 175.4 | -166.7 | -172.7 | -66.2 | 156.6 | -2.5 | 111.9 | F329 E330 T331 Q337 | F329-R333 WeakPolarHBondContact O-CB 3.43Å; F329-R333 PolarHBondContact O-N 2.96Å; E330-R333 PolarHBondContact O-N 3.34Å; T331-R333 VanDerWaalsContact C-N 3.31Å; T331-R333 PolarHBondContact O-N 3.38Å; R333-Q337 PolarHBondContact O-N 3.26Å; R333-Q337 VanDerWaalsContact O-N 3.12Å |
| 334 | N | 73.9 | Confident | 66.2 | Low | 98 Ų | 98 | 122 Ų | 122 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.2 | -41.4 | 176.9 | -109.2 | -44.9 | 0 | 0 | 0 | 112.4 | E330 T331 N336 Q337 V338 | E330-N334 PolarHBondContact O-N 2.86Å; E330-N334 VanDerWaalsContact O-N 3.12Å; T331-N334 PolarHBondContact O-N 3.4Å; N334-N336 PolarHBondContact O-N 3.34Å; N334-Q337 PolarHBondContact O-N 3.49Å; N334-V338 VanDerWaalsContact O-CG2 3.32Å; N334-V338 WeakPolarHBondContact O-CG2 3.48Å; N334-V338 PolarHBondContact O-N 3.01Å |
| 335 | I | 70.9 | Confident | 64.9 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.5 | -42.5 | 177.7 | -67.8 | 166.9 | 0 | 0 | 0 | 111.2 | T331 Q337 V338 V339 | T331-I335 HydrophobicContact CG2-CD1 4Å; T331-I335 WeakPolarHBondContact O-CG1 3.24Å; T331-I335 PolarHBondContact O-N 3.2Å; I335-Q337 VanDerWaalsContact C-N 3.33Å; I335-Q337 PolarHBondContact O-N 2.83Å; I335-V338 PolarHBondContact O-N 2.99Å; I335-V339 WeakPolarHBondContact O-CG2 3.48Å; I335-V339 PolarHBondContact O-N 2.87Å |
| 336 | N | 69.7 | Low | 63.7 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 57% | 0.572 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.8 | -33.6 | 175.8 | -95.3 | -48 | 0 | 0 | 0 | 113.1 | V332 N334 K340 | V332-N336 PolarHBondContact O-N 2.87Å; V332-N336 VanDerWaalsContact O-N 3.14Å; N334-N336 PolarHBondContact O-N 3.34Å; N336-K340 WeakPolarHBondContact O-CB 3.43Å; N336-K340 PolarHBondContact O-N 3.47Å; N336-K340 VanDerWaalsContact O-N 3.13Å |
| 337 | Q | 71 | Confident | 61.9 | Low | 121 Ų | 121 | 121.6 Ų | 121.6 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.3 | -37.9 | 172.6 | -104.5 | 170.8 | -18 | 0 | 0 | 112.4 | R333 N334 I335 K340 Q341 | R333-Q337 PolarHBondContact O-N 3.26Å; R333-Q337 VanDerWaalsContact O-N 3.12Å; N334-Q337 PolarHBondContact O-N 3.49Å; I335-Q337 VanDerWaalsContact C-N 3.33Å; I335-Q337 PolarHBondContact O-N 2.83Å; Q337-K340 PolarHBondContact O-N 3.38Å; Q337-Q341 WeakPolarHBondContact O-CG 3.36Å; Q337-Q341 PolarHBondContact O-N 2.97Å; Q337-Q341 VanDerWaalsContact O-N 3.16Å |
| 338 | V | 66.3 | Low | 60.4 | Low | 91 Ų | 91 | 120.1 Ų | 120.1 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.9 | -35.4 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 112 | N334 I335 Q341 R342 | N334-V338 VanDerWaalsContact O-CG2 3.32Å; N334-V338 WeakPolarHBondContact O-CG2 3.48Å; N334-V338 PolarHBondContact O-N 3.01Å; I335-V338 PolarHBondContact O-N 2.99Å; V338-Q341 PolarHBondContact O-N 3.32Å; V338-R342 PolarHBondContact O-N 3.23Å |
| 339 | V | 62.3 | Low | 58.6 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 56% | 0.564 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.4 | -38 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | I335 Q341 R342 | I335-V339 WeakPolarHBondContact O-CG2 3.48Å; I335-V339 PolarHBondContact O-N 2.87Å; V339-Q341 VanDerWaalsContact C-N 3.31Å; V339-Q341 PolarHBondContact O-N 2.9Å; V339-R342 PolarHBondContact O-N 3.43Å |
| 340 | K | 62 | Low | 56.7 | Low | 166 Ų | 166 | 126.7 Ų | 126.7 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.5 | -23.5 | 177.1 | -160.5 | 172.4 | -176.2 | 179 | 0 | 113.6 | N336 Q337 S343 | N336-K340 WeakPolarHBondContact O-CB 3.43Å; N336-K340 PolarHBondContact O-N 3.47Å; N336-K340 VanDerWaalsContact O-N 3.13Å; Q337-K340 PolarHBondContact O-N 3.38Å; K340-S343 PolarHBondContact O-OG 3.05Å |
| 341 | Q | 53.3 | Low | 54.9 | Low | 162 Ų | 162 | 129 Ų | 129 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -83.9 | -15.8 | 174.5 | -73.1 | -92.1 | -48.3 | 0 | 0 | 113.1 | Q337 V338 V339 | Q337-Q341 WeakPolarHBondContact O-CG 3.36Å; Q337-Q341 PolarHBondContact O-N 2.97Å; Q337-Q341 VanDerWaalsContact O-N 3.16Å; V338-Q341 PolarHBondContact O-N 3.32Å; V339-Q341 VanDerWaalsContact C-N 3.31Å; V339-Q341 PolarHBondContact O-N 2.9Å |
| 342 | R | 50.4 | Low | 52.9 | Low | 222 Ų | 222 | 131.2 Ų | 131.2 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 1.9 | -179.6 | -135.5 | 173.3 | -175.4 | 175.8 | 0.6 | 114 | V338 V339 | V338-R342 PolarHBondContact O-N 3.23Å; V339-R342 PolarHBondContact O-N 3.43Å |
| 343 | S | 45.1 | Very low | 51.2 | Low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 19.9 | -177.5 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | K340 | K340-S343 PolarHBondContact O-OG 3.05Š|
| 344 | L | 49.8 | Very low | 49 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | -122.3 | 72.7 | 175.7 | -78.9 | 161.2 | 0 | 0 | 0 | 110.8 | ||||
| 345 | T | 36.4 | Very low | 47.3 | Very low | 124 Ų | 124 | 132 Ų | 132 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -142.6 | 141 | 157.8 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 346 | P | 39.8 | Very low | 45.8 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 127.8 | -170.2 | 31.5 | -32.5 | 0 | 0 | 0 | 111 | ||
| 347 | S | 29.8 | Very low | 44 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 147.4 | 171.4 | 43.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 348 | P | 42.4 | Very low | 42.3 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 126.5 | -179.4 | 32.4 | -31 | 0 | 0 | 0 | 111 | ||
| 349 | M | 33.7 | Very low | 40.6 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 39.3 | 115.5 | 139.6 | -133.7 | 159.3 | 58 | 0 | 0 | 119.8 | ||||
| 350 | N | 35.2 | Very low | 39.2 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 145.4 | 170 | -74.2 | -79 | 0 | 0 | 0 | 113.2 | ||
| 351 | I | 36 | Very low | 37.6 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90 | 125 | 163.6 | -60.8 | 171.5 | 0 | 0 | 0 | 108.2 | ||
| 352 | P | 33.3 | Very low | 36.5 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 132.5 | 172.3 | -11.6 | 28.3 | 0 | 0 | 0 | 112 | ||
| 353 | G | 36.2 | Very low | 35.7 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 115.6 | 80.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 354 | S | 30.9 | Very low | 35.1 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | trans | -157.9 | 107.5 | 156.5 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | Q356 | S354-Q356 PolarHBondContact O-N 2.95Š| ||
| 355 | N | 38.3 | Very low | 34.1 | Very low | 168 Ų | 168 | 138 Ų | 138 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -80.6 | 98.8 | 167.2 | -69 | -41.4 | 0 | 0 | 0 | 108.2 | ||||
| 356 | Q | 39.5 | Very low | 34.1 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -145 | 111.4 | 151.2 | -69.4 | -164.1 | 44.5 | 0 | 0 | 109.6 | S354 S358 | S354-Q356 PolarHBondContact O-N 2.95Å; Q356-S358 PolarHBondContact O-N 3.31Å | ||
| 357 | S | 32.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | -59.8 | 121.8 | 165.5 | -46.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 358 | S | 34.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -161.6 | 140.1 | 139.5 | 37.7 | 0 | 0 | 0 | 0 | 112.2 | Q356 | Q356-S358 PolarHBondContact O-N 3.31Š| ||
| 359 | A | 31.8 | Very low | 33 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 83% | 0.828 | S | S | * | * | trans | -53.8 | 148 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 360 | M | 32.4 | Very low | 33.1 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | 67.5 | 103.9 | 135.5 | -60 | -91.8 | 172.7 | 0 | 0 | 118.4 | ||||
| 361 | N | 28.7 | Very low | 33.6 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -65.1 | 126.6 | 149.3 | -74.6 | -59.2 | 0 | 0 | 0 | 110.2 | ||||
| 362 | S | 30 | Very low | 33.5 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -145.4 | 100.2 | 149.3 | 63.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 363 | L | 33.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -83.6 | 123.3 | 161.3 | -73.2 | 167.1 | 0 | 0 | 0 | 107.8 | ||||
| 364 | L | 31.8 | Very low | 32.9 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | -180 | 128.8 | 137.8 | -93 | 155.4 | 0 | 0 | 0 | 109 | ||||
| 365 | S | 29.2 | Very low | 32.9 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -109.2 | 150.1 | -173.2 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 366 | S | 36.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | 60.9 | 146.4 | 148 | 62.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 367 | C | 30.3 | Very low | 32.8 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | cis | -165 | 154.9 | 10.4 | 42.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 368 | V | 32 | Very low | 32.8 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | 170.7 | 138.6 | 76.1 | 169.5 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 369 | S | 27.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 153.2 | 120.1 | 134.8 | -66.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 370 | T | 35.8 | Very low | 33.1 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -94 | -178.8 | 162.4 | 41 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 371 | P | 46 | Very low | 33.2 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | cis | -135.7 | 169.1 | -12.5 | 33.6 | -13.9 | 0 | 0 | 0 | 115.5 | ||||
| 372 | R | 32.5 | Very low | 33.3 | Very low | 241 Ų | 241 | 133.4 Ų | 133.4 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | 163.7 | 142.3 | 124.1 | -102.5 | 178.8 | 127.5 | 111.2 | -5.1 | 115 | |||||
| 373 | S | 26.1 | Very low | 33.4 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | 78.4 | 101.6 | 144.6 | 177.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 374 | S | 31.6 | Very low | 33.4 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | 76 | 132.5 | 89.8 | 87.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 375 | F | 30.4 | Very low | 34 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 75% | 0.746 | 77% | 0.768 | S | S | * | * | cis | -171.3 | 158.3 | 44.6 | -126.2 | -81 | 0 | 0 | 0 | 109.6 | ||||
| 376 | Y | 44 | Very low | 34.2 | Very low | 218 Ų | 218 | 132.7 Ų | 132.7 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | 67.1 | 127.4 | 170.8 | -74.2 | -83.3 | 0 | 0 | 0 | 118.2 | ||||
| 377 | G | 32.3 | Very low | 34.2 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | cis | 144.8 | 121.2 | 6.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 378 | S | 31 | Very low | 34.5 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 73.9 | 115.4 | 164.2 | -77.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 379 | D | 36.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | 78.9 | 138.8 | 63.1 | -67.6 | -31.1 | 0 | 0 | 0 | 111 | |||||
| 380 | I | 37.7 | Very low | 35.1 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | cis | -170.3 | 150.5 | 4.3 | -94.2 | 153.6 | 0 | 0 | 0 | 103.6 | ||||
| 381 | G | 33 | Very low | 34.8 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 162.9 | 82.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 382 | N | 31.6 | Very low | 34.3 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -51 | 143.4 | 174.9 | -78.2 | -16.5 | 0 | 0 | 0 | 115.6 | ||
| 383 | V | 31.3 | Very low | 34.5 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 119.6 | 155.3 | 173.6 | 0 | 0 | 0 | 0 | 108.2 | L385 | V383-L385 HydrophobicContact CG1-CD1 4.24Š|
| 384 | V | 34.5 | Very low | 35.2 | Very low | 133 Ų | 133 | 135 Ų | 135 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 117.9 | 158.5 | 168.5 | 0 | 0 | 0 | 0 | 106.6 | ||
| 385 | L | 44.3 | Very low | 35.3 | Very low | 140 Ų | 140 | 138 Ų | 138 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71 | 137.4 | 165.3 | -93 | 90.8 | 0 | 0 | 0 | 109.3 | V383 | V383-L385 HydrophobicContact CG1-CD1 4.24Š|
| 386 | D | 32.4 | Very low | 35.6 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -128.4 | 137.7 | 147 | -165.5 | 10.4 | 0 | 0 | 0 | 110.4 | ||||
| 387 | N | 37 | Very low | 35 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -91.9 | 123.3 | 179.9 | -83.9 | -34.3 | 0 | 0 | 0 | 109.2 | ||||
| 388 | K | 36.8 | Very low | 35.1 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -169 | 111.5 | 137.4 | -134.3 | 148 | 174.2 | 171.1 | 0 | 115.3 | ||||
| 389 | T | 35.2 | Very low | 35.1 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | 69.6 | 111.7 | 121.3 | -52.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 390 | N | 35.9 | Very low | 35 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | 60.1 | 148.2 | 137.3 | -66.5 | -29.5 | 0 | 0 | 0 | 123.2 | ||||
| 391 | S | 30.2 | Very low | 34.9 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 102.9 | 98.4 | 162.2 | -152.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 392 | I | 36.7 | Very low | 34.8 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | 68 | 136.1 | 86 | -56.5 | 164.3 | 0 | 0 | 0 | 111.7 | |||||
| 393 | I | 35.6 | Very low | 35.1 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 89.8 | 133 | 160.8 | -47.8 | -172.1 | 0 | 0 | 0 | 113.4 | ||||
| 394 | L | 39.9 | Very low | 35.3 | Very low | 128 Ų | 128 | 134 Ų | 134 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | cis | 178 | 159.6 | -11.8 | -162.5 | 79 | 0 | 0 | 0 | 105.3 | ||||
| 395 | E | 34.1 | Very low | 35.7 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | trans | 71.6 | 121.2 | 145 | -88.2 | 166.9 | -157.9 | 0 | 0 | 122.9 | ||||
| 396 | T | 36.9 | Very low | 35.9 | Very low | 109 Ų | 109 | 138 Ų | 138 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | 74.6 | 119.3 | 115.3 | -54.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 397 | E | 31.4 | Very low | 36.6 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | 71 | 128.3 | 148.3 | -75.4 | 177.4 | 173.1 | 0 | 0 | 123.1 | ||||
| 398 | A | 33.8 | Very low | 37.5 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | 96.8 | 144 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 399 | A | 31.7 | Very low | 38.3 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 90.3 | 97.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 400 | D | 34.2 | Very low | 39.4 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | 35 | 139 | 112.6 | -153.1 | 18.9 | 0 | 0 | 0 | 120.7 | |||||
| 401 | L | 36.5 | Very low | 40.4 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | 69.8 | 114.6 | 168.2 | -58.4 | 174.5 | 0 | 0 | 0 | 119.7 | ||||
| 402 | G | 30.8 | Very low | 41.7 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | 124.2 | 100 | 125.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 403 | N | 38.8 | Very low | 42.3 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | 45.9 | 105.4 | 137.9 | -174 | 57.2 | 0 | 0 | 0 | 118.5 | ||||
| 404 | D | 35.7 | Very low | 43.5 | Very low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | trans | -154.1 | 77.6 | 143.8 | -115.3 | -20.3 | 0 | 0 | 0 | 112.9 | R406 | D404-R406 PolarHBondContact O-N 2.85Å; D404-R406 WeakPolarHBondContact OD1-CB 3.36Å; D404-R406 WeakPolarHBondContact OD1-CD 3.39Å; D404-R406 WeakPolarHBondContact OD1-CG 3.36Å | ||
| 405 | E | 41.5 | Very low | 44.2 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 61.3 | 151.8 | -85.3 | -76.1 | 167.3 | 0 | 0 | 109.4 | K408 | E405-K408 IonicContact OE1-NZ 2.74Å; E405-K408 PolarHBondContact OE1-NZ 3.37Å; E405-K408 IonicContact OE2-NZ 3.82Å; E405-K408 PolarHBondContact OE2-NZ 3.01Å |
| 406 | R | 49.4 | Very low | 45.5 | Very low | 215 Ų | 215 | 121.3 Ų | 121.3 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 9.1 | 179.3 | -77.8 | -166.7 | 171.5 | -156.4 | 0.7 | 116.2 | D404 | D404-R406 PolarHBondContact O-N 2.85Å; D404-R406 WeakPolarHBondContact OD1-CB 3.36Å; D404-R406 WeakPolarHBondContact OD1-CD 3.39Å; D404-R406 WeakPolarHBondContact OD1-CG 3.36Å |
| 407 | S | 46.3 | Very low | 47.1 | Very low | 71 Ų | 71 | 116.8 Ų | 116.8 | 50% | 0.497 | 69% | 0.692 | S | S | . | * | trans | -114.9 | 11.3 | 178.4 | 65.4 | 0 | 0 | 0 | 0 | 115.4 | K409 S418 | S407-K409 VanDerWaalsContact C-N 3.34Å; S407-K409 PolarHBondContact O-N 3.29Å; S407-S418 PolarHBondContact O-OG 2.92Å | ||
| 408 | K | 55.1 | Low | 49.1 | Very low | 150 Ų | 150 | 111 Ų | 111 | 65% | 0.652 | 67% | 0.671 | S | S | * | * | trans | -90.7 | 62.8 | 172.7 | -62.6 | 173.6 | -170.9 | 155.8 | 0 | 111 | E405 | E405-K408 IonicContact OE1-NZ 2.74Å; E405-K408 PolarHBondContact OE1-NZ 3.37Å; E405-K408 IonicContact OE2-NZ 3.82Å; E405-K408 PolarHBondContact OE2-NZ 3.01Å | ||
| 409 | K | 55.5 | Low | 51.2 | Low | 171 Ų | 171 | 112.1 Ų | 112.1 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | -95.9 | 112.8 | 163.9 | -86.2 | -178 | 177.2 | 176.9 | 0 | 108.5 | S407 G411 | S407-K409 VanDerWaalsContact C-N 3.34Å; S407-K409 PolarHBondContact O-N 3.29Å; K409-G411 PolarHBondContact O-N 3.46Å | ||
| 410 | P | 57.2 | Low | 53.6 | Low | 127 Ų | 127 | 111.9 Ų | 111.9 | 83% | 0.825 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 127.4 | 167.4 | -16.5 | 29.1 | 0 | 0 | 0 | 108.6 | ||
| 411 | G | 56.6 | Low | 56 | Low | 44 Ų | 44 | 109.7 Ų | 109.7 | 45% | 0.454 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 146.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K409 | K409-G411 PolarHBondContact O-N 3.46Š|
| 412 | T | 57.9 | Low | 58.2 | Low | 103 Ų | 103 | 108.1 Ų | 108.1 | 63% | 0.632 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 157.5 | 169.2 | 30.3 | 0 | 0 | 0 | 0 | 111.2 | G414 T415 | T412-G414 PolarHBondContact O-N 3.1Å; T412-G414 VanDerWaalsContact O-N 3.07Å; T412-T415 PolarHBondContact O-N 2.89Å |
| 413 | P | 49.8 | Very low | 60.6 | Low | 137 Ų | 137 | 106.7 Ų | 106.7 | 89% | 0.89 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 117.1 | -178 | -23.6 | 33.2 | 0 | 0 | 0 | 111.9 | ||
| 414 | G | 60.4 | Low | 62.7 | Low | 80 Ų | 80 | 102.2 Ų | 102.2 | 83% | 0.825 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.6 | -8.9 | 177 | 0 | 0 | 0 | 0 | 0 | 116.3 | T412 | T412-G414 PolarHBondContact O-N 3.1Å; T412-G414 VanDerWaalsContact O-N 3.07Å |
| 415 | T | 54.7 | Low | 65.1 | Low | 91 Ų | 91 | 101.1 Ų | 101.1 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -133.3 | 119.9 | 173.3 | 31.8 | 0 | 0 | 0 | 0 | 110.8 | T412 G417 | T412-T415 PolarHBondContact O-N 2.89Å; T415-G417 PolarHBondContact O-N 2.94Å |
| 416 | P | 60.5 | Low | 67.3 | Low | 95 Ų | 95 | 103.2 Ų | 103.2 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | trans | -56.9 | 131.8 | 176.9 | -24.2 | 33.6 | 0 | 0 | 0 | 111.3 | D420 | P416-D420 HydrophobicContact CB-CB 4.4Š| ||
| 417 | G | 71.2 | Confident | 69.3 | Low | 14 Ų | 14 | 101.3 Ų | 101.3 | 14% | 0.144 | 57% | 0.568 | C | S | . | * | trans | -70.7 | 162.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T415 H419 D420 L421 | T415-G417 PolarHBondContact O-N 2.94Å; G417-H419 PolarHBondContact O-N 3.21Å; G417-H419 VanDerWaalsContact O-N 3.15Å; G417-D420 PolarHBondContact O-N 3.37Å; G417-L421 PolarHBondContact O-N 3.05Å | ||
| 418 | S | 72.6 | Confident | 71.4 | Confident | 61 Ų | 61 | 103.1 Ų | 103.1 | 43% | 0.427 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -51.7 | -38.2 | 179.3 | 41.6 | 0 | 0 | 0 | 0 | 113.4 | S407 E422 | S407-S418 PolarHBondContact O-OG 2.92Å; S418-E422 WeakPolarHBondContact O-CB 3.48Å; S418-E422 PolarHBondContact O-N 3.19Å |
| 419 | H | 78.4 | Confident | 73.1 | Confident | 125 Ų | 125 | 99.7 Ų | 99.7 | 58% | 0.579 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.8 | -33.3 | 178.7 | -173 | 57.7 | 0 | 0 | 0 | 113.8 | G417 E422 T423 | G417-H419 PolarHBondContact O-N 3.21Å; G417-H419 VanDerWaalsContact O-N 3.15Å; H419-E422 IonicContact ND1-OE2 2.7Å; H419-T423 WeakPolarHBondContact O-CB 3.48Å; H419-T423 PolarHBondContact O-N 3.16Å; H419-T423 PolarHBondContact O-OG1 3.47Å |
| 420 | D | 83.3 | Confident | 74.8 | Confident | 90 Ų | 90 | 96 Ų | 96 | 48% | 0.481 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.3 | -38.4 | 175.4 | -173 | 47.3 | 0 | 0 | 0 | 110.5 | P416 G417 T423 A424 | P416-D420 HydrophobicContact CB-CB 4.4Å; G417-D420 PolarHBondContact O-N 3.37Å; D420-T423 PolarHBondContact O-N 3.15Å; D420-A424 VanDerWaalsContact O-CB 3.29Å; D420-A424 WeakPolarHBondContact O-CB 3.32Å; D420-A424 PolarHBondContact O-N 2.9Å |
| 421 | L | 83.1 | Confident | 76.2 | Confident | 98 Ų | 98 | 99.3 Ų | 99.3 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -45.9 | 172.3 | 179.5 | 62.9 | 0 | 0 | 0 | 112.1 | G417 T423 A424 L425 | G417-L421 PolarHBondContact O-N 3.05Å; L421-T423 VanDerWaalsContact C-N 3.33Å; L421-T423 PolarHBondContact O-N 2.81Å; L421-A424 PolarHBondContact O-N 3.13Å; L421-L425 HydrophobicContact CD1-CD1 4.41Å; L421-L425 HydrophobicContact CD1-CG 4.36Å; L421-L425 HydrophobicContact CG-CD1 4.25Å; L421-L425 WeakPolarHBondContact O-CB 3.45Å; L421-L425 WeakPolarHBondContact O-CG 3.29Å; L421-L425 PolarHBondContact O-N 3.48Å |
| 422 | E | 83.3 | Confident | 77.9 | Confident | 123 Ų | 123 | 106.1 Ų | 106.1 | 58% | 0.575 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.2 | -43.7 | 175.9 | -175.4 | -177.9 | -174.1 | 0 | 0 | 111.6 | S418 H419 A424 L425 R426 | S418-E422 WeakPolarHBondContact O-CB 3.48Å; S418-E422 PolarHBondContact O-N 3.19Å; H419-E422 IonicContact ND1-OE2 2.7Å; E422-A424 PolarHBondContact O-N 3.35Å; E422-L425 PolarHBondContact O-N 2.8Å; E422-R426 WeakPolarHBondContact O-CB 3.41Å; E422-R426 PolarHBondContact O-N 2.89Å |
| 423 | T | 80.7 | Confident | 79.4 | Confident | 43 Ų | 43 | 107.1 Ų | 107.1 | 26% | 0.264 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65 | -40.1 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | H419 D420 L421 R426 R427 | H419-T423 WeakPolarHBondContact O-CB 3.48Å; H419-T423 PolarHBondContact O-N 3.16Å; H419-T423 PolarHBondContact O-OG1 3.47Å; D420-T423 PolarHBondContact O-N 3.15Å; L421-T423 VanDerWaalsContact C-N 3.33Å; L421-T423 PolarHBondContact O-N 2.81Å; T423-R426 PolarHBondContact O-N 3.42Å; T423-R427 WeakPolarHBondContact O-CB 3.38Å; T423-R427 VanDerWaalsContact O-CG 3.28Å; T423-R427 WeakPolarHBondContact O-CG 3.49Å; T423-R427 PolarHBondContact O-N 3.35Å |
| 424 | A | 83.3 | Confident | 81.1 | Confident | 48 Ų | 48 | 105.5 Ų | 105.5 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | D420 L421 E422 R427 L428 | D420-A424 VanDerWaalsContact O-CB 3.29Å; D420-A424 WeakPolarHBondContact O-CB 3.32Å; D420-A424 PolarHBondContact O-N 2.9Å; L421-A424 PolarHBondContact O-N 3.13Å; E422-A424 PolarHBondContact O-N 3.35Å; A424-R427 PolarHBondContact O-N 3.04Å; A424-L428 WeakPolarHBondContact O-CB 3.42Å; A424-L428 PolarHBondContact O-N 2.9Å |
| 425 | L | 87.4 | Confident | 82.6 | Confident | 95 Ų | 95 | 107.2 Ų | 107.2 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.3 | -71.9 | 174.2 | 0 | 0 | 0 | 111.5 | L421 E422 R427 L428 S429 | L421-L425 HydrophobicContact CD1-CD1 4.41Å; L421-L425 HydrophobicContact CD1-CG 4.36Å; L421-L425 HydrophobicContact CG-CD1 4.25Å; L421-L425 WeakPolarHBondContact O-CB 3.45Å; L421-L425 WeakPolarHBondContact O-CG 3.29Å; L421-L425 PolarHBondContact O-N 3.48Å; E422-L425 PolarHBondContact O-N 2.8Å; L425-R427 PolarHBondContact O-N 2.89Å; L425-L428 PolarHBondContact O-N 3.26Å; L425-S429 PolarHBondContact O-N 3.03Å; L425-S429 PolarHBondContact O-OG 3.07Å |
| 426 | R | 87.4 | Confident | 84.3 | Confident | 186 Ų | 186 | 106.9 Ų | 106.9 | 70% | 0.702 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 174.9 | -170.3 | 173.1 | -179.8 | -121.8 | -1.8 | 111.8 | E422 T423 L428 S429 L430 | E422-R426 WeakPolarHBondContact O-CB 3.41Å; E422-R426 PolarHBondContact O-N 2.89Å; T423-R426 PolarHBondContact O-N 3.42Å; R426-L428 VanDerWaalsContact C-N 3.34Å; R426-S429 PolarHBondContact O-N 3.33Å; R426-L430 WeakPolarHBondContact O-CG 3.39Å; R426-L430 PolarHBondContact O-N 3.34Å |
| 427 | R | 91.3 | Very high | 85.3 | Confident | 175 Ų | 175 | 104.6 Ų | 104.6 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 174.1 | -74.8 | 174.1 | 179.6 | 178 | 2 | 112.1 | T423 A424 L425 R431 | T423-R427 WeakPolarHBondContact O-CB 3.38Å; T423-R427 VanDerWaalsContact O-CG 3.28Å; T423-R427 WeakPolarHBondContact O-CG 3.49Å; T423-R427 PolarHBondContact O-N 3.35Å; A424-R427 PolarHBondContact O-N 3.04Å; L425-R427 PolarHBondContact O-N 2.89Å; R427-R431 WeakPolarHBondContact O-CB 3.41Å; R427-R431 PolarHBondContact O-N 3Å |
| 428 | L | 90.7 | Very high | 85.8 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 177.2 | -174.9 | 65.6 | 0 | 0 | 0 | 111.7 | A424 L425 R426 R431 R432 | A424-L428 WeakPolarHBondContact O-CB 3.42Å; A424-L428 PolarHBondContact O-N 2.9Å; L425-L428 PolarHBondContact O-N 3.26Å; R426-L428 VanDerWaalsContact C-N 3.34Å; L428-R431 PolarHBondContact O-N 2.76Å; L428-R432 PolarHBondContact O-N 3.38Å |
| 429 | S | 90.5 | Very high | 86.6 | Confident | 77 Ų | 77 | 113 Ų | 113 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 175.1 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | L425 R426 R431 R432 E433 | L425-S429 PolarHBondContact O-N 3.03Å; L425-S429 PolarHBondContact O-OG 3.07Å; R426-S429 PolarHBondContact O-N 3.33Å; S429-R431 VanDerWaalsContact C-N 3.29Å; S429-R431 PolarHBondContact O-N 2.82Å; S429-R432 WeakPolarHBondContact O-CB 3.43Å; S429-R432 PolarHBondContact O-N 2.84Å; S429-R432 VanDerWaalsContact O-N 3.13Å; S429-E433 WeakPolarHBondContact O-CB 3.47Å; S429-E433 PolarHBondContact O-N 3.23Å |
| 430 | L | 89.8 | Confident | 87.2 | Confident | 95 Ų | 95 | 113.7 Ų | 113.7 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 175.2 | -73.6 | 170.7 | 0 | 0 | 0 | 112 | R426 E433 N434 | R426-L430 WeakPolarHBondContact O-CG 3.39Å; R426-L430 PolarHBondContact O-N 3.34Å; L430-E433 PolarHBondContact O-N 3.4Å; L430-N434 VanDerWaalsContact O-CB 3.25Å; L430-N434 WeakPolarHBondContact O-CB 3.49Å; L430-N434 PolarHBondContact O-N 2.9Å |
| 431 | R | 88.4 | Confident | 87.5 | Confident | 195 Ų | 195 | 114.5 Ų | 114.5 | 74% | 0.736 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.1 | -38.3 | 175.8 | -165.7 | 177.8 | -169.1 | 148.1 | 4.2 | 112.2 | R427 L428 S429 Y435 | R427-R431 WeakPolarHBondContact O-CB 3.41Å; R427-R431 PolarHBondContact O-N 3Å; L428-R431 PolarHBondContact O-N 2.76Å; S429-R431 VanDerWaalsContact C-N 3.29Å; S429-R431 PolarHBondContact O-N 2.82Å; R431-Y435 PolarHBondContact O-N 3.14Å; R431-Y435 VanDerWaalsContact O-N 3.08Å |
| 432 | R | 91.6 | Very high | 87.6 | Confident | 188 Ų | 188 | 115.4 Ų | 115.4 | 71% | 0.709 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.5 | -42.9 | 176.1 | -175.9 | 179.9 | 179.5 | -177.1 | -0.9 | 111.4 | L428 S429 Y435 L436 | L428-R432 PolarHBondContact O-N 3.38Å; S429-R432 WeakPolarHBondContact O-CB 3.43Å; S429-R432 PolarHBondContact O-N 2.84Å; S429-R432 VanDerWaalsContact O-N 3.13Å; R432-Y435 PolarHBondContact O-N 3.34Å; R432-L436 WeakPolarHBondContact O-CG 3.49Å; R432-L436 PolarHBondContact O-N 2.79Å |
| 433 | E | 88.4 | Confident | 87.8 | Confident | 123 Ų | 123 | 115.8 Ų | 115.8 | 58% | 0.575 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 176.1 | -176.1 | 173.9 | -160.6 | 0 | 0 | 111.3 | S429 L430 Y435 L436 S437 | S429-E433 WeakPolarHBondContact O-CB 3.47Å; S429-E433 PolarHBondContact O-N 3.23Å; L430-E433 PolarHBondContact O-N 3.4Å; E433-Y435 VanDerWaalsContact C-N 3.33Å; E433-Y435 PolarHBondContact O-N 3.41Å; E433-L436 PolarHBondContact O-N 3.45Å; E433-L436 VanDerWaalsContact O-N 3.12Å; E433-S437 PolarHBondContact O-N 3Å; E433-S437 PolarHBondContact O-OG 3.4Å |
| 434 | N | 86.7 | Confident | 88.1 | Confident | 103 Ų | 103 | 118.8 Ų | 118.8 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 175.7 | -171.7 | -103 | 0 | 0 | 0 | 111.7 | L430 L436 S437 E438 | L430-N434 VanDerWaalsContact O-CB 3.25Å; L430-N434 WeakPolarHBondContact O-CB 3.49Å; L430-N434 PolarHBondContact O-N 2.9Å; N434-L436 VanDerWaalsContact C-N 3.33Å; N434-L436 PolarHBondContact O-N 3.32Å; N434-S437 VanDerWaalsContact CA-OG 3.31Å; N434-S437 WeakPolarHBondContact CA-OG 3.22Å; N434-S437 PolarHBondContact O-N 2.87Å; N434-S437 PolarHBondContact O-OG 3.16Å; N434-E438 WeakPolarHBondContact O-CB 3.36Å; N434-E438 PolarHBondContact O-N 3.44Å |
| 435 | Y | 91.1 | Very high | 88 | Confident | 117 Ų | 117 | 119.8 Ų | 119.8 | 46% | 0.459 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 174.5 | -177 | -97.8 | 0 | 0 | 0 | 113.2 | R431 R432 E433 R439 | R431-Y435 PolarHBondContact O-N 3.14Å; R431-Y435 VanDerWaalsContact O-N 3.08Å; R432-Y435 PolarHBondContact O-N 3.34Å; E433-Y435 VanDerWaalsContact C-N 3.33Å; E433-Y435 PolarHBondContact O-N 3.41Å; Y435-R439 HydrophobicContact CE1-CG 4.29Å; Y435-R439 PolarHBondContact O-N 3.43Å; Y435-R439 VanDerWaalsContact O-N 3.08Å; Y435-R439 PolarHBondContact OH-NE 2.79Å; Y435-R439 VanDerWaalsContact OH-NE 3.13Å; Y435-R439 PolarHBondContact OH-NH2 3.2Å; Y435-R439 VanDerWaalsContact OH-NH2 3.11Å |
| 436 | L | 90.6 | Very high | 87.4 | Confident | 84 Ų | 84 | 122 Ų | 122 | 44% | 0.44 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 175.4 | -68.9 | 173.2 | 0 | 0 | 0 | 111.7 | R432 E433 N434 R439 R440 | R432-L436 WeakPolarHBondContact O-CG 3.49Å; R432-L436 PolarHBondContact O-N 2.79Å; E433-L436 PolarHBondContact O-N 3.45Å; E433-L436 VanDerWaalsContact O-N 3.12Å; N434-L436 VanDerWaalsContact C-N 3.33Å; N434-L436 PolarHBondContact O-N 3.32Å; L436-R439 PolarHBondContact O-N 3.24Å; L436-R440 PolarHBondContact O-N 3.35Å |
| 437 | S | 81.8 | Confident | 87.3 | Confident | 47 Ų | 47 | 118.3 Ų | 118.3 | 33% | 0.329 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 175.7 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | E433 N434 R439 R440 F441 | E433-S437 PolarHBondContact O-N 3Å; E433-S437 PolarHBondContact O-OG 3.4Å; N434-S437 VanDerWaalsContact CA-OG 3.31Å; N434-S437 WeakPolarHBondContact CA-OG 3.22Å; N434-S437 PolarHBondContact O-N 2.87Å; N434-S437 PolarHBondContact O-OG 3.16Å; S437-R439 VanDerWaalsContact C-N 3.34Å; S437-R440 PolarHBondContact O-N 3.44Å; S437-F441 WeakPolarHBondContact O-CB 3.36Å; S437-F441 PolarHBondContact O-N 2.94Å |
| 438 | E | 81.9 | Confident | 87 | Confident | 98 Ų | 98 | 116.9 Ų | 116.9 | 46% | 0.458 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177 | -165.1 | -178.7 | -161 | 0 | 0 | 110.5 | N434 F441 F442 | N434-E438 WeakPolarHBondContact O-CB 3.36Å; N434-E438 PolarHBondContact O-N 3.44Å; E438-F441 PolarHBondContact O-N 3.26Å; E438-F442 HydrophobicContact CG-CD2 4.09Å; E438-F442 HydrophobicContact CG-CE2 3.61Å; E438-F442 WeakPolarHBondContact O-CD2 3.35Å; E438-F442 PolarHBondContact O-N 3.47Å |
| 439 | R | 89.1 | Confident | 86.7 | Confident | 153 Ų | 153 | 117.4 Ų | 117.4 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.1 | -47.1 | 171.3 | -84.5 | -167 | 171.4 | -154.4 | -2 | 113.2 | Y435 L436 S437 F441 F442 E443 | Y435-R439 HydrophobicContact CE1-CG 4.29Å; Y435-R439 PolarHBondContact O-N 3.43Å; Y435-R439 VanDerWaalsContact O-N 3.08Å; Y435-R439 PolarHBondContact OH-NE 2.79Å; Y435-R439 VanDerWaalsContact OH-NE 3.13Å; Y435-R439 PolarHBondContact OH-NH2 3.2Å; Y435-R439 VanDerWaalsContact OH-NH2 3.11Å; L436-R439 PolarHBondContact O-N 3.24Å; S437-R439 VanDerWaalsContact C-N 3.34Å; R439-F441 VanDerWaalsContact C-N 3.31Å; R439-F441 PolarHBondContact O-N 3.13Å; R439-F442 PolarHBondContact O-N 3.27Å; R439-E443 WeakPolarHBondContact O-CB 3.29Å; R439-E443 PolarHBondContact O-N 2.88Å |
| 440 | R | 90.1 | Very high | 86 | Confident | 140 Ų | 140 | 119.8 Ų | 119.8 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.2 | -74.8 | -161.5 | -62.3 | -108.8 | 2 | 111.6 | L436 S437 F442 E443 E444 | L436-R440 PolarHBondContact O-N 3.35Å; S437-R440 PolarHBondContact O-N 3.44Å; R440-F442 PolarHBondContact O-N 3.34Å; R440-E443 PolarHBondContact O-N 3.34Å; R440-E444 WeakPolarHBondContact O-CB 3.42Å; R440-E444 WeakPolarHBondContact O-CG 3.36Å; R440-E444 PolarHBondContact O-N 3.24Å |
| 441 | F | 89.9 | Confident | 85.3 | Confident | 106 Ų | 106 | 120.6 Ų | 120.6 | 47% | 0.465 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 175.9 | 179 | -92.5 | 0 | 0 | 0 | 111.9 | S437 E438 R439 E443 E445 | S437-F441 WeakPolarHBondContact O-CB 3.36Å; S437-F441 PolarHBondContact O-N 2.94Å; E438-F441 PolarHBondContact O-N 3.26Å; R439-F441 VanDerWaalsContact C-N 3.31Å; R439-F441 PolarHBondContact O-N 3.13Å; F441-E443 PolarHBondContact O-N 2.96Å; F441-E445 WeakPolarHBondContact CE1-OE2 3.3Å; F441-E445 VanDerWaalsContact O-CB 3.27Å; F441-E445 WeakPolarHBondContact O-CB 3.48Å; F441-E445 PolarHBondContact O-N 3.41Å |
| 442 | F | 85.9 | Confident | 84.8 | Confident | 117 Ų | 117 | 115.8 Ų | 115.8 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 177.4 | -74.9 | -56.8 | 0 | 0 | 0 | 113.3 | E438 R439 R440 Q446 | E438-F442 HydrophobicContact CG-CD2 4.09Å; E438-F442 HydrophobicContact CG-CE2 3.61Å; E438-F442 WeakPolarHBondContact O-CD2 3.35Å; E438-F442 PolarHBondContact O-N 3.47Å; R439-F442 PolarHBondContact O-N 3.27Å; R440-F442 PolarHBondContact O-N 3.34Å; F442-Q446 VanDerWaalsContact O-CB 3.31Å; F442-Q446 WeakPolarHBondContact O-CB 3.4Å; F442-Q446 PolarHBondContact O-N 3.45Å |
| 443 | E | 86.9 | Confident | 84 | Confident | 132 Ų | 132 | 112.6 Ų | 112.6 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70 | -44.3 | 177.3 | -163.2 | 162.2 | -141 | 0 | 0 | 111.1 | R439 R440 F441 Q446 E447 | R439-E443 WeakPolarHBondContact O-CB 3.29Å; R439-E443 PolarHBondContact O-N 2.88Å; R440-E443 PolarHBondContact O-N 3.34Å; F441-E443 PolarHBondContact O-N 2.96Å; E443-Q446 PolarHBondContact O-N 3.24Å; E443-E447 WeakPolarHBondContact O-CB 3.41Å; E443-E447 PolarHBondContact O-N 3.12Å |
| 444 | E | 87.1 | Confident | 83.2 | Confident | 105 Ų | 105 | 110.1 Ų | 110.1 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 173.4 | -75 | 171.9 | -164.1 | 0 | 0 | 112.3 | R440 E447 R448 | R440-E444 WeakPolarHBondContact O-CB 3.42Å; R440-E444 WeakPolarHBondContact O-CG 3.36Å; R440-E444 PolarHBondContact O-N 3.24Å; E444-E447 PolarHBondContact O-N 3.48Å; E444-R448 VanDerWaalsContact O-CB 3.24Å; E444-R448 WeakPolarHBondContact O-CB 3.32Å; E444-R448 PolarHBondContact O-N 2.97Å |
| 445 | E | 81 | Confident | 82.1 | Confident | 69 Ų | 69 | 113 Ų | 113 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.5 | -35.3 | 174.6 | -171.7 | 168 | -158.8 | 0 | 0 | 111.8 | F441 K449 | F441-E445 WeakPolarHBondContact CE1-OE2 3.3Å; F441-E445 VanDerWaalsContact O-CB 3.27Å; F441-E445 WeakPolarHBondContact O-CB 3.48Å; F441-E445 PolarHBondContact O-N 3.41Å; E445-K449 WeakPolarHBondContact O-CG 3.32Å; E445-K449 PolarHBondContact O-N 3.12Å |
| 446 | Q | 76.1 | Confident | 80.6 | Confident | 142 Ų | 142 | 114.1 Ų | 114.1 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.2 | -41.4 | 171.9 | -173.2 | -179.2 | 3.3 | 0 | 0 | 111.6 | F442 E443 K449 L450 | F442-Q446 VanDerWaalsContact O-CB 3.31Å; F442-Q446 WeakPolarHBondContact O-CB 3.4Å; F442-Q446 PolarHBondContact O-N 3.45Å; E443-Q446 PolarHBondContact O-N 3.24Å; Q446-K449 PolarHBondContact O-N 3.29Å; Q446-L450 WeakPolarHBondContact O-CB 3.4Å; Q446-L450 PolarHBondContact O-N 3.43Å |
| 447 | E | 84.8 | Confident | 78.7 | Confident | 108 Ų | 108 | 113 Ų | 113 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 177 | -174.8 | 171.3 | -160.9 | 0 | 0 | 111.4 | E443 E444 K449 L450 Q451 | E443-E447 WeakPolarHBondContact O-CB 3.41Å; E443-E447 PolarHBondContact O-N 3.12Å; E444-E447 PolarHBondContact O-N 3.48Å; E447-K449 VanDerWaalsContact C-N 3.34Å; E447-K449 PolarHBondContact O-N 3.49Å; E447-L450 CarbonylContact O-C 3.59Å; E447-L450 WeakPolarHBondContact O-CA 3.34Å; E447-L450 WeakPolarHBondContact O-CB 3.46Å; E447-L450 PolarHBondContact O-N 3.24Å; E447-L450 VanDerWaalsContact O-N 3.09Å; E447-Q451 WeakPolarHBondContact O-CB 3.4Å; E447-Q451 WeakPolarHBondContact O-CG 3.33Å; E447-Q451 PolarHBondContact O-N 3.14Å |
| 448 | R | 85.5 | Confident | 76.9 | Confident | 145 Ų | 145 | 118.9 Ų | 118.9 | 55% | 0.547 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.6 | -41.2 | 173.7 | -165.5 | -169.4 | -35.1 | -158.9 | 4.2 | 112.1 | E444 L450 Q451 E452 | E444-R448 VanDerWaalsContact O-CB 3.24Å; E444-R448 WeakPolarHBondContact O-CB 3.32Å; E444-R448 PolarHBondContact O-N 2.97Å; R448-L450 VanDerWaalsContact C-N 3.32Å; R448-Q451 PolarHBondContact O-N 2.83Å; R448-E452 WeakPolarHBondContact O-CB 3.4Å; R448-E452 PolarHBondContact O-N 3.05Å |
| 449 | K | 83.1 | Confident | 74.6 | Confident | 122 Ų | 122 | 122.2 Ų | 122.2 | 53% | 0.53 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.2 | -35.4 | 172.7 | -82.6 | 178.9 | 178.8 | 166.5 | 0 | 112.4 | E445 Q446 E447 L453 | E445-K449 WeakPolarHBondContact O-CG 3.32Å; E445-K449 PolarHBondContact O-N 3.12Å; Q446-K449 PolarHBondContact O-N 3.29Å; E447-K449 VanDerWaalsContact C-N 3.34Å; E447-K449 PolarHBondContact O-N 3.49Å; K449-L453 WeakPolarHBondContact O-CB 3.36Å; K449-L453 VanDerWaalsContact O-CG 3.23Å; K449-L453 WeakPolarHBondContact O-CG 3.33Å; K449-L453 PolarHBondContact O-N 3.01Å |
| 450 | L | 75.7 | Confident | 72.1 | Confident | 126 Ų | 126 | 126.8 Ų | 126.8 | 66% | 0.66 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.3 | -40.2 | 176.1 | -163.4 | 78.4 | 0 | 0 | 0 | 111.3 | Q446 E447 R448 L453 A454 | Q446-L450 WeakPolarHBondContact O-CB 3.4Å; Q446-L450 PolarHBondContact O-N 3.43Å; E447-L450 CarbonylContact O-C 3.59Å; E447-L450 WeakPolarHBondContact O-CA 3.34Å; E447-L450 WeakPolarHBondContact O-CB 3.46Å; E447-L450 PolarHBondContact O-N 3.24Å; E447-L450 VanDerWaalsContact O-N 3.09Å; R448-L450 VanDerWaalsContact C-N 3.32Å; L450-L453 PolarHBondContact O-N 2.96Å; L450-A454 WeakPolarHBondContact O-CB 3.49Å; L450-A454 PolarHBondContact O-N 3.21Å |
| 451 | Q | 76.2 | Confident | 69.5 | Low | 112 Ų | 112 | 126.1 Ų | 126.1 | 52% | 0.523 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.3 | -43.6 | 173.9 | -73.8 | 171.4 | -2.9 | 0 | 0 | 111.4 | E447 R448 L453 A454 E455 | E447-Q451 WeakPolarHBondContact O-CB 3.4Å; E447-Q451 WeakPolarHBondContact O-CG 3.33Å; E447-Q451 PolarHBondContact O-N 3.14Å; R448-Q451 PolarHBondContact O-N 2.83Å; Q451-L453 VanDerWaalsContact C-N 3.28Å; Q451-L453 PolarHBondContact O-N 3.37Å; Q451-A454 WeakPolarHBondContact O-CB 3.31Å; Q451-A454 PolarHBondContact O-N 2.93Å; Q451-A454 VanDerWaalsContact O-N 3.11Å; Q451-E455 WeakPolarHBondContact O-CB 3.4Å; Q451-E455 PolarHBondContact O-N 3.31Å |
| 452 | E | 77.9 | Confident | 66.7 | Low | 94 Ų | 94 | 124.8 Ų | 124.8 | 44% | 0.439 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.9 | -33.5 | 176.2 | -165.1 | -168.8 | 156.4 | 0 | 0 | 112 | R448 K456 | R448-E452 WeakPolarHBondContact O-CB 3.4Å; R448-E452 PolarHBondContact O-N 3.05Å; E452-K456 WeakPolarHBondContact O-CB 3.22Å; E452-K456 WeakPolarHBondContact O-CG 3.41Å; E452-K456 PolarHBondContact O-N 3.45Å; E452-K456 IonicContact OE1-NZ 3.53Å; E452-K456 PolarHBondContact OE1-NZ 3Å |
| 453 | L | 73.4 | Confident | 64.3 | Low | 122 Ų | 122 | 124.2 Ų | 124.2 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.1 | -32.3 | 173 | -74.6 | 170.6 | 0 | 0 | 0 | 112.8 | K449 L450 Q451 G457 | K449-L453 WeakPolarHBondContact O-CB 3.36Å; K449-L453 VanDerWaalsContact O-CG 3.23Å; K449-L453 WeakPolarHBondContact O-CG 3.33Å; K449-L453 PolarHBondContact O-N 3.01Å; L450-L453 PolarHBondContact O-N 2.96Å; Q451-L453 VanDerWaalsContact C-N 3.28Å; Q451-L453 PolarHBondContact O-N 3.37Å; L453-G457 PolarHBondContact O-N 3.41Å |
| 454 | A | 72.1 | Confident | 61.7 | Low | 71 Ų | 71 | 125.9 Ų | 125.9 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.3 | -41 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | L450 Q451 G457 | L450-A454 WeakPolarHBondContact O-CB 3.49Å; L450-A454 PolarHBondContact O-N 3.21Å; Q451-A454 WeakPolarHBondContact O-CB 3.31Å; Q451-A454 PolarHBondContact O-N 2.93Å; Q451-A454 VanDerWaalsContact O-N 3.11Å; A454-G457 PolarHBondContact O-N 3.47Å; A454-G457 VanDerWaalsContact O-N 3.08Å |
| 455 | E | 64.6 | Low | 59.3 | Low | 162 Ų | 162 | 126.7 Ų | 126.7 | 76% | 0.757 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.6 | -36.5 | 176.7 | -166.2 | 178.2 | -178.6 | 0 | 0 | 112 | Q451 G457 | Q451-E455 WeakPolarHBondContact O-CB 3.4Å; Q451-E455 PolarHBondContact O-N 3.31Å; E455-G457 PolarHBondContact O-N 3.07Å |
| 456 | K | 60.1 | Low | 57.3 | Low | 142 Ų | 142 | 129 Ų | 129 | 62% | 0.617 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -6.3 | 170.2 | -79.3 | 170.8 | 175.3 | 161.6 | 0 | 114.1 | E452 E458 | E452-K456 WeakPolarHBondContact O-CB 3.22Å; E452-K456 WeakPolarHBondContact O-CG 3.41Å; E452-K456 PolarHBondContact O-N 3.45Å; E452-K456 IonicContact OE1-NZ 3.53Å; E452-K456 PolarHBondContact OE1-NZ 3Å; K456-E458 VanDerWaalsContact C-N 3.3Å; K456-E458 PolarHBondContact O-N 3.3Å |
| 457 | G | 49 | Very low | 55.2 | Low | 60 Ų | 60 | 127.6 Ų | 127.6 | 62% | 0.619 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -13.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L453 A454 E455 | L453-G457 PolarHBondContact O-N 3.41Å; A454-G457 PolarHBondContact O-N 3.47Å; A454-G457 VanDerWaalsContact O-N 3.08Å; E455-G457 PolarHBondContact O-N 3.07Å |
| 458 | E | 45.2 | Very low | 52.8 | Low | 171 Ų | 171 | 131.2 Ų | 131.2 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -107.6 | 1.5 | -165.2 | -145.4 | 149.3 | -145.8 | 0 | 0 | 115.6 | K456 | K456-E458 VanDerWaalsContact C-N 3.3Å; K456-E458 PolarHBondContact O-N 3.3Å |
| 459 | L | 33.1 | Very low | 50.2 | Low | 168 Ų | 168 | 130.4 Ų | 130.4 | 88% | 0.88 | 73% | 0.725 | S | S | * | * | trans | -137.2 | 103.5 | 174 | -65.2 | 172.3 | 0 | 0 | 0 | 111.7 | ||||
| 460 | R | 36.5 | Very low | 48.3 | Very low | 249 Ų | 249 | 131.8 Ų | 131.8 | 94% | 0.94 | 74% | 0.737 | S | S | * | * | trans | -92.8 | 131.7 | 174.1 | -94.1 | -160.1 | -173.3 | -114.2 | 3.4 | 112.6 | ||||
| 461 | S | 35.2 | Very low | 46.1 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | 83.1 | 111.2 | 139.6 | -138.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 462 | G | 31.3 | Very low | 43.8 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -178.7 | 84.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 463 | S | 34.9 | Very low | 42 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -51.4 | 141.8 | 179.7 | 165.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 464 | L | 32.8 | Very low | 39.9 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | -176.2 | 123.5 | 117.2 | -88.6 | 169.1 | 0 | 0 | 0 | 110.2 | |||||
| 465 | T | 36.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 139 Ų | 139 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -84.2 | 165.3 | 177 | 49 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 466 | P | 40.1 | Very low | 36.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | -135.2 | 128.6 | 85 | 21.6 | -0.5 | 0 | 0 | 0 | 113 | |||||
| 467 | T | 32.3 | Very low | 35.2 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 68% | 0.681 | 81% | 0.808 | S | S | * | * | 64.3 | 106 | 99.3 | -41.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 468 | E | 33.4 | Very low | 34.4 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | -166.1 | 112.6 | 81.3 | 42.3 | -145.9 | 132.8 | 0 | 0 | 112.6 | |||||
| 469 | S | 31.7 | Very low | 33.6 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -134.1 | 107.2 | 169.8 | -159.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 470 | I | 41.8 | Very low | 33.5 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -93.4 | 122.6 | 176.7 | -50 | 177.1 | 0 | 0 | 0 | 107 | ||||
| 471 | M | 30 | Very low | 33.3 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | 129.8 | 69.3 | 156.3 | -61.3 | -100.4 | 98.5 | 0 | 0 | 111.3 | ||||
| 472 | S | 27.3 | Very low | 33 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -104.2 | 133.5 | 149.9 | -174.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 473 | L | 40.2 | Very low | 33.3 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -54.5 | 133.3 | 176.6 | -69.8 | 149 | 0 | 0 | 0 | 111.4 | ||||
| 474 | G | 30.1 | Very low | 33.1 | Very low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | -144.8 | 91.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H476 | G474-H476 PolarHBondContact O-N 3.06Š| ||
| 475 | T | 36.2 | Very low | 32.8 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -43.5 | 116.1 | 166.9 | -15.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 476 | H | 31.7 | Very low | 32.5 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -145.7 | 134.2 | 154.9 | -75.9 | -67.2 | 0 | 0 | 0 | 112 | G474 | G474-H476 PolarHBondContact O-N 3.06Š| ||
| 477 | S | 30.3 | Very low | 32.1 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | -89 | 161.3 | -171.2 | 70.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 478 | R | 32.2 | Very low | 32.2 | Very low | 223 Ų | 223 | 144.5 Ų | 144.5 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | 89.4 | 101.8 | 152.9 | -63.9 | 170.7 | 175 | 162.5 | 0.6 | 117.3 | ||||
| 479 | F | 28.9 | Very low | 31.9 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | 178.8 | 112.1 | 105.7 | -108.6 | -92.7 | 0 | 0 | 0 | 108.3 | |||||
| 480 | S | 30.2 | Very low | 32.1 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | 70.6 | 100.7 | 114 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 481 | E | 32.3 | Very low | 31.5 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 107 | 107.6 | 72.3 | -173.9 | 173.6 | -161.7 | 0 | 0 | 108.7 | |||||
| 482 | F | 28.1 | Very low | 31.7 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -178 | 104 | 131.4 | -164.1 | -113.7 | 0 | 0 | 0 | 110.5 | ||||
| 483 | T | 37.5 | Very low | 32 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | trans | 50.3 | 130.3 | 149.3 | 65.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 484 | G | 30.7 | Very low | 31.6 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | 161.2 | 143.7 | 9.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 485 | F | 27 | Very low | 31.9 | Very low | 200 Ų | 200 | 149.6 Ų | 149.6 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | 85.7 | 96.8 | 156.2 | -140.6 | -104.5 | 0 | 0 | 0 | 120.2 | ||||
| 486 | S | 30.8 | Very low | 32.3 | Very low | 96 Ų | 96 | 151 Ų | 151 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | 84.7 | 132.3 | 123 | -63.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 487 | G | 31.5 | Very low | 32.8 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 130.3 | 87.3 | 140.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S489 | G487-S489 PolarHBondContact O-N 3.01Š| ||
| 488 | M | 33.8 | Very low | 33.7 | Very low | 180 Ų | 180 | 152.1 Ų | 152.1 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -59.3 | 129.3 | 161.9 | -63.3 | -174.2 | 72.5 | 0 | 0 | 109.9 | ||||
| 489 | S | 27.3 | Very low | 34.7 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -155.5 | 114 | 152.3 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | G487 S491 | G487-S489 PolarHBondContact O-N 3.01Å; S489-S491 PolarHBondContact O-N 3.31Å | ||
| 490 | F | 35.3 | Very low | 35.6 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -69.5 | 112.3 | 163.7 | -90.7 | -100.5 | 0 | 0 | 0 | 107.8 | ||||
| 491 | S | 30.6 | Very low | 36.7 | Very low | 112 Ų | 112 | 153.8 Ų | 153.8 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -141.1 | 125.3 | 157 | -162.8 | 0 | 0 | 0 | 0 | 109.5 | S489 | S489-S491 PolarHBondContact O-N 3.31Š| ||
| 492 | S | 32.7 | Very low | 37.8 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -71.8 | 153.4 | -174.5 | -49.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 493 | R | 35.1 | Very low | 38.8 | Very low | 242 Ų | 242 | 149.4 Ų | 149.4 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | 84.1 | 100.4 | 157.9 | -58.5 | 176.5 | 176.6 | -101.8 | -2.8 | 117.6 | ||||
| 494 | S | 30.6 | Very low | 39.6 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | -179.9 | 101.7 | 116.3 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 495 | Y | 36.2 | Very low | 40.4 | Very low | 236 Ų | 236 | 154.3 Ų | 154.3 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -118.6 | 97 | 162.9 | -78.2 | -75.6 | 0 | 0 | 0 | 108.6 | ||||
| 496 | L | 44.7 | Very low | 41.7 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -80.4 | 128.5 | 156.8 | -158.8 | 85.4 | 0 | 0 | 0 | 106.3 | E498 | L496-E498 PolarHBondContact O-N 2.73Š| ||
| 497 | P | 42.1 | Very low | 43 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -70.7 | 114 | 179.7 | -18.9 | 31.8 | 0 | 0 | 0 | 112.1 | K499 | P497-K499 PolarHBondContact O-N 3.25Š| ||
| 498 | E | 50.1 | Low | 44.2 | Very low | 194 Ų | 194 | 157.2 Ų | 157.2 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -75.3 | 55.7 | 170.7 | -167.8 | -175.3 | 176.5 | 0 | 0 | 111.4 | L496 | L496-E498 PolarHBondContact O-N 2.73Š| ||
| 499 | K | 52.8 | Low | 45.8 | Very low | 180 Ų | 180 | 151.9 Ų | 151.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -149.2 | 55.7 | 174.3 | -69.4 | -168.2 | -179.2 | 178.3 | 0 | 112.8 | P497 | P497-K499 PolarHBondContact O-N 3.25Š| ||
| 500 | L | 48.7 | Very low | 47.6 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -132.4 | 39.9 | 154.2 | -72.6 | 178.4 | 0 | 0 | 0 | 111 | ||||
| 501 | Q | 53.2 | Low | 49.2 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -102.3 | 77 | 157.7 | -163.3 | 177.3 | 16.8 | 0 | 0 | 107.8 | ||||
| 502 | I | 54.6 | Low | 51 | Low | 126 Ų | 126 | 144.8 Ų | 144.8 | 65% | 0.646 | 77% | 0.77 | S | S | * | * | trans | -126.1 | 78.5 | 165.6 | -52.8 | 178 | 0 | 0 | 0 | 107 | K504 | I502-K504 VanDerWaalsContact C-N 3.29Å; I502-K504 HydrophobicContact CG2-CB 3.77Å; I502-K504 HydrophobicContact CG2-CD 4.27Å; I502-K504 HydrophobicContact CG2-CG 3.81Å; I502-K504 PolarHBondContact O-N 3.27Å | ||
| 503 | V | 49.7 | Very low | 52.7 | Low | 142 Ų | 142 | 145.3 Ų | 145.3 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -80.8 | 94.1 | 143.3 | 178 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 504 | K | 54.7 | Low | 54.3 | Low | 171 Ų | 171 | 138.7 Ų | 138.7 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | -83.1 | 120.6 | 167.1 | -114.6 | -175.5 | 175.7 | -178.3 | 0 | 106.9 | I502 L506 | I502-K504 VanDerWaalsContact C-N 3.29Å; I502-K504 HydrophobicContact CG2-CB 3.77Å; I502-K504 HydrophobicContact CG2-CD 4.27Å; I502-K504 HydrophobicContact CG2-CG 3.81Å; I502-K504 PolarHBondContact O-N 3.27Å; K504-L506 PolarHBondContact O-N 3.41Å | ||
| 505 | P | 47.1 | Very low | 55.8 | Low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -60.5 | 134.3 | 170.4 | 25.7 | -30.5 | 0 | 0 | 0 | 108.5 | E507 | P505-E507 PolarHBondContact O-N 3.43Å; P505-E507 VanDerWaalsContact O-N 3.08Å | ||
| 506 | L | 53.6 | Low | 57.7 | Low | 179 Ų | 179 | 135.4 Ų | 135.4 | 94% | 0.937 | 71% | 0.714 | S | S | * | * | trans | -67.2 | 100.1 | 179.7 | -70.8 | 158.4 | 0 | 0 | 0 | 109.4 | K504 | K504-L506 PolarHBondContact O-N 3.41Š| ||
| 507 | E | 57.8 | Low | 58.7 | Low | 187 Ų | 187 | 132.7 Ų | 132.7 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | trans | -134.1 | 122.8 | 154.5 | -152.1 | 168.4 | -171.8 | 0 | 0 | 106.9 | P505 | P505-E507 PolarHBondContact O-N 3.43Å; P505-E507 VanDerWaalsContact O-N 3.08Å | ||
| 508 | G | 57.5 | Low | 60 | Low | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | trans | -57.7 | 135.7 | -148.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 509 | S | 67.3 | Low | 60.6 | Low | 68 Ų | 68 | 127 Ų | 127 | 48% | 0.476 | 68% | 0.677 | S | S | . | * | trans | -69.2 | 141.9 | 162.5 | 62.5 | 0 | 0 | 0 | 0 | 109.4 | T511 L512 H513 | S509-T511 PolarHBondContact O-N 3.41Å; S509-T511 VanDerWaalsContact O-N 3.11Å; S509-L512 WeakPolarHBondContact O-CA 3.36Å; S509-L512 WeakPolarHBondContact O-CB 3.32Å; S509-L512 PolarHBondContact O-N 3.22Å; S509-L512 WeakPolarHBondContact OG-CB 3.36Å; S509-L512 PolarHBondContact OG-N 3.47Å; S509-H513 PolarHBondContact O-N 3.04Å | ||
| 510 | A | 64.3 | Low | 60.9 | Low | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -54.5 | -29.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H513 H514 | A510-H513 PolarHBondContact O-N 2.67Å; A510-H514 VanDerWaalsContact O-CB 3.24Å; A510-H514 WeakPolarHBondContact O-CB 3.23Å; A510-H514 PolarHBondContact O-N 3.24Å |
| 511 | T | 70.2 | Confident | 60.9 | Low | 88 Ų | 88 | 121 Ų | 121 | 54% | 0.54 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64 | -51.5 | 169.9 | -42.3 | 0 | 0 | 0 | 0 | 111.2 | S509 H513 H514 W515 | S509-T511 PolarHBondContact O-N 3.41Å; S509-T511 VanDerWaalsContact O-N 3.11Å; T511-H513 PolarHBondContact O-N 2.64Å; T511-H514 WeakPolarHBondContact O-CB 3.49Å; T511-H514 PolarHBondContact O-N 3.37Å; T511-H514 VanDerWaalsContact O-N 3.11Å; T511-W515 WeakPolarHBondContact O-CB 3.38Å; T511-W515 PolarHBondContact O-N 3.24Å |
| 512 | L | 68.6 | Low | 60.9 | Low | 99 Ų | 99 | 118 Ų | 118 | 52% | 0.518 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -58.4 | -39.8 | 175.7 | -167.4 | 86.8 | 0 | 0 | 0 | 111.5 | S509 W515 Q516 | S509-L512 WeakPolarHBondContact O-CA 3.36Å; S509-L512 WeakPolarHBondContact O-CB 3.32Å; S509-L512 PolarHBondContact O-N 3.22Å; S509-L512 WeakPolarHBondContact OG-CB 3.36Å; S509-L512 PolarHBondContact OG-N 3.47Å; L512-W515 PolarHBondContact O-N 3Å; L512-Q516 WeakPolarHBondContact O-CB 3.29Å; L512-Q516 PolarHBondContact O-N 3Å |
| 513 | H | 68.7 | Low | 61 | Low | 112 Ų | 112 | 118.9 Ų | 118.9 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67 | -36.4 | 177.3 | -158.6 | -78.2 | 0 | 0 | 0 | 112.5 | S509 A510 T511 Q517 | S509-H513 PolarHBondContact O-N 3.04Å; A510-H513 PolarHBondContact O-N 2.67Å; T511-H513 PolarHBondContact O-N 2.64Å; H513-Q517 WeakPolarHBondContact O-CB 3.45Å; H513-Q517 PolarHBondContact O-N 3.35Å |
| 514 | H | 67.9 | Low | 61.4 | Low | 103 Ų | 103 | 115.1 Ų | 115.1 | 48% | 0.477 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68.1 | -44.4 | 174.1 | -178.7 | 65.1 | 0 | 0 | 0 | 111.6 | A510 T511 Q516 Q517 L518 | A510-H514 VanDerWaalsContact O-CB 3.24Å; A510-H514 WeakPolarHBondContact O-CB 3.23Å; A510-H514 PolarHBondContact O-N 3.24Å; T511-H514 WeakPolarHBondContact O-CB 3.49Å; T511-H514 PolarHBondContact O-N 3.37Å; T511-H514 VanDerWaalsContact O-N 3.11Å; H514-Q516 VanDerWaalsContact C-N 3.34Å; H514-Q517 PolarHBondContact O-N 2.82Å; H514-L518 VanDerWaalsContact O-CG 3.31Å; H514-L518 WeakPolarHBondContact O-CG 3.3Å; H514-L518 PolarHBondContact O-N 3.14Å |
| 515 | W | 62.5 | Low | 61.3 | Low | 173 Ų | 173 | 109.2 Ų | 109.2 | 66% | 0.655 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.4 | -33.8 | 175.8 | -75.1 | 66.5 | 0 | 0 | 0 | 111.8 | T511 L512 L518 A519 | T511-W515 WeakPolarHBondContact O-CB 3.38Å; T511-W515 PolarHBondContact O-N 3.24Å; L512-W515 PolarHBondContact O-N 3Å; W515-L518 PolarHBondContact O-N 2.62Å; W515-A519 WeakPolarHBondContact O-CB 3.37Å; W515-A519 PolarHBondContact O-N 2.88Å |
| 516 | Q | 74.8 | Confident | 61.7 | Low | 106 Ų | 106 | 109.2 Ų | 109.2 | 50% | 0.495 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.6 | -35.4 | 173.6 | -174 | 170.8 | 13.4 | 0 | 0 | 112 | L512 H514 A519 Q520 | L512-Q516 WeakPolarHBondContact O-CB 3.29Å; L512-Q516 PolarHBondContact O-N 3Å; H514-Q516 VanDerWaalsContact C-N 3.34Å; Q516-A519 PolarHBondContact O-N 2.89Å; Q516-Q520 WeakPolarHBondContact O-CG 3.44Å; Q516-Q520 PolarHBondContact O-N 3.33Å; Q516-Q520 VanDerWaalsContact O-N 3.1Å |
| 517 | Q | 67.4 | Low | 61.7 | Low | 106 Ų | 106 | 107.5 Ų | 107.5 | 50% | 0.495 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65 | -42.2 | 170.1 | -85.9 | 178 | -11.1 | 0 | 0 | 111.8 | H513 H514 A519 Q520 | H513-Q517 WeakPolarHBondContact O-CB 3.45Å; H513-Q517 PolarHBondContact O-N 3.35Å; H514-Q517 PolarHBondContact O-N 2.82Å; Q517-A519 VanDerWaalsContact C-N 3.29Å; Q517-A519 PolarHBondContact O-N 2.95Å; Q517-Q520 PolarHBondContact O-N 3.14Å |
| 518 | L | 68.6 | Low | 61.7 | Low | 110 Ų | 110 | 104.4 Ų | 104.4 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.2 | -27.5 | 176.4 | -67.8 | 171.9 | 0 | 0 | 0 | 113 | H514 W515 | H514-L518 VanDerWaalsContact O-CG 3.31Å; H514-L518 WeakPolarHBondContact O-CG 3.3Å; H514-L518 PolarHBondContact O-N 3.14Å; W515-L518 PolarHBondContact O-N 2.62Å |
| 519 | A | 62.1 | Low | 61.4 | Low | 80 Ų | 80 | 107.3 Ų | 107.3 | 66% | 0.661 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W515 Q516 Q517 P521 | W515-A519 WeakPolarHBondContact O-CB 3.37Å; W515-A519 PolarHBondContact O-N 2.88Å; Q516-A519 PolarHBondContact O-N 2.89Å; Q517-A519 VanDerWaalsContact C-N 3.29Å; Q517-A519 PolarHBondContact O-N 2.95Å; A519-P521 WeakPolarHBondContact O-CD 3.49Å |
| 520 | Q | 60 | Low | 60.9 | Low | 113 Ų | 113 | 113.4 Ų | 113.4 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -77.4 | 120.7 | 169.7 | -81.9 | 178.8 | 8.2 | 0 | 0 | 108.9 | Q516 Q517 H522 | Q516-Q520 WeakPolarHBondContact O-CG 3.44Å; Q516-Q520 PolarHBondContact O-N 3.33Å; Q516-Q520 VanDerWaalsContact O-N 3.1Å; Q517-Q520 PolarHBondContact O-N 3.14Å; Q520-H522 PolarHBondContact O-CD2 2.92Å; Q520-H522 VanDerWaalsContact O-CD2 3.3Å; Q520-H522 PolarHBondContact O-N 3.3Å |
| 521 | P | 48.4 | Very low | 60 | Low | 121 Ų | 121 | 115.8 Ų | 115.8 | 79% | 0.786 | 63% | 0.627 | S | S | * | * | trans | -71.3 | 93.5 | 179.4 | 28.8 | -32.8 | 0 | 0 | 0 | 109.6 | A519 L523 | A519-P521 WeakPolarHBondContact O-CD 3.49Å; P521-L523 PolarHBondContact O-N 2.96Å | ||
| 522 | H | 52.8 | Low | 59.4 | Low | 127 Ų | 127 | 115.5 Ų | 115.5 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | trans | -79.5 | 106.9 | 164.1 | 31.3 | 65.9 | 0 | 0 | 0 | 108.3 | Q520 G524 G525 | Q520-H522 PolarHBondContact O-CD2 2.92Å; Q520-H522 VanDerWaalsContact O-CD2 3.3Å; Q520-H522 PolarHBondContact O-N 3.3Å; H522-G524 PolarHBondContact O-N 3.45Å; H522-G525 PolarHBondContact O-N 2.88Å | ||
| 523 | L | 56.3 | Low | 58.6 | Low | 146 Ų | 146 | 115.7 Ų | 115.7 | 76% | 0.764 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -56.2 | -6.9 | 176.3 | -78.8 | 126 | 0 | 0 | 0 | 114.2 | P521 G525 | P521-L523 PolarHBondContact O-N 2.96Å; L523-G525 VanDerWaalsContact C-N 3.3Å; L523-G525 PolarHBondContact O-N 3.47Å |
| 524 | G | 58.9 | Low | 58.2 | Low | 63 Ų | 63 | 116.7 Ų | 116.7 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -71.9 | -15.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H522 | H522-G524 PolarHBondContact O-N 3.45Š|
| 525 | G | 52.9 | Low | 57.7 | Low | 47 Ų | 47 | 115.1 Ų | 115.1 | 49% | 0.485 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -92.8 | 1.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H522 L523 L527 | H522-G525 PolarHBondContact O-N 2.88Å; L523-G525 VanDerWaalsContact C-N 3.3Å; L523-G525 PolarHBondContact O-N 3.47Å; G525-L527 VanDerWaalsContact C-N 3.33Å |
| 526 | I | 56 | Low | 57 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 60% | 0.595 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -78.2 | -19.9 | 179.3 | -102.3 | 168.5 | 0 | 0 | 0 | 112.5 | ||
| 527 | L | 53.8 | Low | 56 | Low | 143 Ų | 143 | 115.9 Ų | 115.9 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -104.7 | -8.3 | -176.3 | -60.5 | 178.3 | 0 | 0 | 0 | 113.5 | G525 P529 | G525-L527 VanDerWaalsContact C-N 3.33Å; L527-P529 WeakPolarHBondContact O-CD 3.42Å |
| 528 | D | 56.4 | Low | 54.8 | Low | 121 Ų | 121 | 117.8 Ų | 117.8 | 65% | 0.647 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -84.8 | 117.8 | 176 | -95.5 | -8 | 0 | 0 | 0 | 109.8 | R530 | D528-R530 PolarHBondContact O-N 3.4Š|
| 529 | P | 51.2 | Low | 53.7 | Low | 126 Ų | 126 | 123.8 Ų | 123.8 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -68.2 | 108.8 | 177.8 | 26.7 | -31.2 | 0 | 0 | 0 | 109.6 | L527 | L527-P529 WeakPolarHBondContact O-CD 3.42Š| ||
| 530 | R | 56.3 | Low | 52.7 | Low | 195 Ų | 195 | 126.3 Ų | 126.3 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | trans | -89.2 | 126.8 | 168.7 | -78.4 | -174 | 179.4 | -153.7 | -0.6 | 109.6 | D528 G532 V533 | D528-R530 PolarHBondContact O-N 3.4Å; R530-G532 PolarHBondContact O-N 3.18Å; R530-V533 PolarHBondContact O-N 3.34Å | ||
| 531 | P | 46 | Very low | 51.8 | Low | 136 Ų | 136 | 128.3 Ų | 128.3 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 123.7 | 178.1 | -23.2 | 32.1 | 0 | 0 | 0 | 110.8 | ||
| 532 | G | 58.3 | Low | 51.4 | Low | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92 | -0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | R530 | R530-G532 PolarHBondContact O-N 3.18Š|
| 533 | V | 52.3 | Low | 51 | Low | 103 Ų | 103 | 129.5 Ų | 129.5 | 62% | 0.624 | 74% | 0.736 | S | S | * | * | trans | -115.5 | 99.2 | 177.2 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | R530 | R530-V533 PolarHBondContact O-N 3.34Š| ||
| 534 | V | 58.8 | Low | 49.9 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | -90.7 | 114.5 | 172.8 | -171.9 | 0 | 0 | 0 | 0 | 108.6 | K536 | V534-K536 PolarHBondContact O-N 3.48Š| ||
| 535 | T | 57.7 | Low | 49 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 44% | 0.436 | 74% | 0.742 | S | S | . | * | trans | -71.4 | 122.6 | 174.2 | 51 | 0 | 0 | 0 | 0 | 109.4 | G537 F538 | T535-G537 PolarHBondContact O-N 2.93Å; T535-F538 PolarHBondContact O-N 2.98Å; T535-F538 VanDerWaalsContact OG1-CD2 3.24Å; T535-F538 WeakPolarHBondContact OG1-CD2 3.42Å | ||
| 536 | K | 47.5 | Very low | 48.4 | Very low | 220 Ų | 220 | 138 Ų | 138 | 96% | 0.957 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 97.7 | -177.4 | -173.3 | 172.7 | -177.6 | 173.4 | 0 | 110.2 | V534 | V534-K536 PolarHBondContact O-N 3.48Š|
| 537 | G | 54.3 | Low | 47.6 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.4 | -10.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | T535 | T535-G537 PolarHBondContact O-N 2.93Š|
| 538 | F | 43.3 | Very low | 46.8 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | trans | -91 | 119.3 | 177.4 | -79.4 | -94.9 | 0 | 0 | 0 | 111.2 | T535 | T535-F538 PolarHBondContact O-N 2.98Å; T535-F538 VanDerWaalsContact OG1-CD2 3.24Å; T535-F538 WeakPolarHBondContact OG1-CD2 3.42Å | ||
| 539 | R | 44.8 | Very low | 45.8 | Very low | 236 Ų | 236 | 142.9 Ų | 142.9 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | -101 | 112.4 | 157.8 | -57.2 | -161.5 | -174.2 | -83 | 0.9 | 106.1 | L541 | R539-L541 PolarHBondContact O-N 3.35Š| ||
| 540 | T | 41 | Very low | 44.8 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -65.5 | 112.4 | 165.9 | 32.2 | 0 | 0 | 0 | 0 | 107.3 | D542 | T540-D542 PolarHBondContact O-N 3Š| ||
| 541 | L | 41.7 | Very low | 44 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | -67.4 | 113.3 | 158.5 | -88 | 152.8 | 0 | 0 | 0 | 105.7 | R539 V543 | R539-L541 PolarHBondContact O-N 3.35Å; L541-V543 VanDerWaalsContact C-N 3.32Å; L541-V543 HydrophobicContact CB-CG2 4.21Å; L541-V543 PolarHBondContact O-N 3.14Å | ||
| 542 | D | 38.9 | Very low | 44 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -62.7 | 100 | 164.4 | -89.5 | -19.8 | 0 | 0 | 0 | 107.4 | T540 | T540-D542 PolarHBondContact O-N 3Š| ||
| 543 | V | 43.8 | Very low | 43 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | trans | -120.9 | 128.1 | 166.9 | 177.3 | 0 | 0 | 0 | 0 | 104.2 | L541 | L541-V543 VanDerWaalsContact C-N 3.32Å; L541-V543 HydrophobicContact CB-CG2 4.21Å; L541-V543 PolarHBondContact O-N 3.14Å | ||
| 544 | D | 35 | Very low | 42.6 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 102 | 65.7 | 175.5 | -50.4 | -24.9 | 0 | 0 | 0 | 116.4 | ||||
| 545 | L | 38.2 | Very low | 41.9 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | -119.2 | 87.3 | 124 | -128.7 | 79.1 | 0 | 0 | 0 | 107.8 | E547 | L545-E547 VanDerWaalsContact C-N 3.27Å; L545-E547 PolarHBondContact O-N 3.38Å | |||
| 546 | D | 40.8 | Very low | 41.5 | Very low | 146 Ų | 146 | 157.4 Ų | 157.4 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -63.7 | 88.9 | 162.3 | -105.9 | -13.7 | 0 | 0 | 0 | 108.1 | ||||
| 547 | E | 38.6 | Very low | 41.4 | Very low | 172 Ų | 172 | 154.3 Ų | 154.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -104.2 | 105.4 | 156.8 | -90.5 | -177.3 | 171.1 | 0 | 0 | 109.2 | L545 Y549 | L545-E547 VanDerWaalsContact C-N 3.27Å; L545-E547 PolarHBondContact O-N 3.38Å; E547-Y549 PolarHBondContact O-N 3.31Å | ||
| 548 | V | 38.8 | Very low | 40.7 | Very low | 125 Ų | 125 | 157.4 Ų | 157.4 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -70 | 115.3 | -177.1 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 549 | Y | 34.3 | Very low | 40.5 | Very low | 184 Ų | 184 | 156.3 Ų | 156.3 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 41 | 135.2 | 147.1 | -89.8 | -93.7 | 0 | 0 | 0 | 121.5 | E547 L551 | E547-Y549 PolarHBondContact O-N 3.31Å; Y549-L551 HydrophobicContact CD1-CD1 3.98Å; Y549-L551 HydrophobicContact CD1-CG 4.3Å; Y549-L551 HydrophobicContact CE1-CD1 3.67Å; Y549-L551 HydrophobicContact CE1-CG 4.18Å | ||
| 550 | C | 31.1 | Very low | 39.9 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 86% | 0.858 | 79% | 0.792 | S | S | * | * | -151.1 | 122.3 | 122.5 | -94.9 | 0 | 0 | 0 | 0 | 112.6 | N552 | C550-N552 VanDerWaalsContact C-N 3.34Å; C550-N552 PolarHBondContact O-N 3.36Å; C550-N552 VanDerWaalsContact O-N 3.11Å | |||
| 551 | L | 39.7 | Very low | 39.5 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -75.4 | 72.4 | 170.5 | -90.9 | 145.4 | 0 | 0 | 0 | 110.4 | Y549 | Y549-L551 HydrophobicContact CD1-CD1 3.98Å; Y549-L551 HydrophobicContact CD1-CG 4.3Å; Y549-L551 HydrophobicContact CE1-CD1 3.67Å; Y549-L551 HydrophobicContact CE1-CG 4.18Å | ||
| 552 | N | 44.9 | Very low | 39.1 | Very low | 140 Ų | 140 | 149 Ų | 149 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -179.2 | 83.2 | 163.6 | -94.2 | -7.5 | 0 | 0 | 0 | 110.6 | C550 | C550-N552 VanDerWaalsContact C-N 3.34Å; C550-N552 PolarHBondContact O-N 3.36Å; C550-N552 VanDerWaalsContact O-N 3.11Å | ||
| 553 | D | 37 | Very low | 38.8 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -142.8 | 134.8 | 139.7 | -144.5 | -5.8 | 0 | 0 | 0 | 110.4 | ||||
| 554 | F | 44.4 | Very low | 38.1 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | -82.6 | 154 | -164.9 | -88 | -104.1 | 0 | 0 | 0 | 111.4 | ||||
| 555 | E | 43.9 | Very low | 37.9 | Very low | 191 Ų | 191 | 150 Ų | 150 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -50.3 | 131.1 | 166.4 | -67.9 | 170.4 | 140.8 | 0 | 0 | 111.6 | ||||
| 556 | E | 49.5 | Very low | 37.8 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -141.4 | 129.8 | 147.7 | -125.4 | 173.9 | -169.4 | 0 | 0 | 109.5 | ||||
| 557 | D | 44.8 | Very low | 37.1 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -93 | 169.8 | -172 | -163.4 | 8.6 | 0 | 0 | 0 | 110.7 | ||||
| 558 | D | 41.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | 76.9 | 125.8 | 179.1 | -96.3 | -16.9 | 0 | 0 | 0 | 116.5 | ||||
| 559 | T | 38.2 | Very low | 36.1 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | cis | -163.6 | 153.8 | 20.6 | 22 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 560 | G | 32.7 | Very low | 35.7 | Very low | 65 Ų | 65 | 148 Ų | 148 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | 96 | 105.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 561 | D | 32.4 | Very low | 35.6 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 63.2 | 105.1 | 145 | -55.6 | -28 | 0 | 0 | 0 | 119.5 | ||||
| 562 | H | 32.5 | Very low | 35.2 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | 154.3 | 123.8 | 112 | -81.3 | -65.9 | 0 | 0 | 0 | 112.6 | |||||
| 563 | I | 33.4 | Very low | 34.9 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 73% | 0.728 | 80% | 0.795 | S | S | * | * | trans | 76.3 | 96.4 | 144.6 | -53.6 | 160.3 | 0 | 0 | 0 | 116.8 | L565 | I563-L565 HydrophobicContact CG2-CG 4.38Š| ||
| 564 | S | 28.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -80 | 120 | 155.1 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 565 | L | 30.7 | Very low | 33.7 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -105 | 123.7 | 158.1 | -83.2 | 168.7 | 0 | 0 | 0 | 109 | I563 | I563-L565 HydrophobicContact CG2-CG 4.38Š| ||
| 566 | P | 36.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -100.5 | 128.8 | 166.2 | 30.1 | -19.3 | 0 | 0 | 0 | 112.1 | ||||
| 567 | R | 27.1 | Very low | 32.6 | Very low | 243 Ų | 243 | 137.4 Ų | 137.4 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -35.6 | 130.1 | 159.3 | -166.7 | 179.4 | -159.3 | 153.5 | 3.6 | 114.4 | ||||
| 568 | L | 28.1 | Very low | 31.8 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -83.5 | 131 | 161.2 | -101.9 | 143.8 | 0 | 0 | 0 | 110.2 | ||||
| 569 | A | 27.6 | Very low | 31.2 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -172 | 124.5 | 138 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 570 | T | 25.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 95.8 | 118.2 | 136.1 | -52.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 571 | S | 29.3 | Very low | 30.6 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | 102 | 112.4 | 133.1 | 66.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 572 | T | 30.8 | Very low | 30.4 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | 74.7 | 157.1 | 132.5 | 37.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 573 | P | 38.8 | Very low | 30.3 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -115.7 | -170 | -133.4 | 26.9 | -4 | 0 | 0 | 0 | 113.4 | ||||
| 574 | V | 27.9 | Very low | 30.3 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 107 | 136.1 | 148.8 | -177.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 575 | Q | 30 | Very low | 30.4 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 95.2 | 101.3 | 153.8 | -89.5 | 157.3 | 42.6 | 0 | 0 | 120.2 | ||||
| 576 | H | 30 | Very low | 30.2 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -46.1 | 154.8 | 136.1 | -77.7 | -93.4 | 0 | 0 | 0 | 111.5 | ||||
| 577 | P | 39.1 | Very low | 30 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | -138 | 151.4 | 106.7 | 31.8 | -16.8 | 0 | 0 | 0 | 114.7 | |||||
| 578 | E | 27.5 | Very low | 30.1 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -72 | 147.8 | 169.9 | -49.6 | -172.4 | 144.9 | 0 | 0 | 112.4 | ||||
| 579 | T | 29.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -170 | 108.4 | 141.2 | 142.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 580 | S | 28.9 | Very low | 30.4 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 79.1 | 124.7 | 82.9 | 84.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 581 | G | 29.2 | Very low | 30.7 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 168.3 | 82.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 582 | E | 29 | Very low | 30.7 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -27 | 161.1 | 153.3 | -78.7 | 176.4 | 118.1 | 0 | 0 | 116.1 | ||||
| 583 | R | 29.6 | Very low | 30.8 | Very low | 208 Ų | 208 | 138.1 Ų | 138.1 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | cis | 172.3 | 157 | 0.1 | 176.5 | -165.8 | 173.7 | 165.2 | -0.7 | 105.1 | ||||
| 584 | S | 33.2 | Very low | 30.5 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | trans | 76.4 | 144.3 | 162.7 | -57 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 585 | Q | 30.3 | Very low | 30.6 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | cis | -168.9 | 150.8 | 11.7 | -127.8 | 168.9 | -13.5 | 0 | 0 | 110.1 | ||||
| 586 | A | 28.2 | Very low | 30.8 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | 60.5 | 113 | 139.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 587 | R | 30.6 | Very low | 31.4 | Very low | 240 Ų | 240 | 141.3 Ų | 141.3 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -4.9 | 136.3 | 136.8 | -62.7 | 177.8 | 166.7 | -165.4 | -5.1 | 117.7 | ||||
| 588 | V | 29.1 | Very low | 30.9 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | -153.7 | 133.3 | 129.6 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 589 | T | 31.1 | Very low | 31.1 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -78.5 | 140.1 | 168.6 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 590 | V | 31.6 | Very low | 31.6 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -143.2 | 132.7 | 151.5 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 591 | S | 32.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -84.6 | 162.2 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 592 | G | 28.8 | Very low | 31.5 | Very low | 70 Ų | 70 | 148.9 Ų | 148.9 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 109.1 | 127.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 593 | S | 32.2 | Very low | 31.5 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | cis | -160.3 | 157.8 | 34.9 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 594 | R | 33.1 | Very low | 32 | Very low | 211 Ų | 211 | 141.9 Ų | 141.9 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -69.4 | 136.5 | 177.9 | -178.7 | -175.6 | -168.5 | -173.9 | 2.6 | 112.5 | Y596 | R594-Y596 HydrophobicContact CG-CE2 4.46Š| ||
| 595 | S | 29.4 | Very low | 31.8 | Very low | 124 Ų | 124 | 147 Ų | 147 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -160.8 | 144.7 | 137.6 | -132.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 596 | Y | 35.2 | Very low | 31.8 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | trans | -89.7 | 172.4 | -171.3 | -87.7 | -83.1 | 0 | 0 | 0 | 112.5 | R594 | R594-Y596 HydrophobicContact CG-CE2 4.46Š| ||
| 597 | P | 41.2 | Very low | 32 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | -95.2 | 156.6 | -156.8 | 37.7 | -34.4 | 0 | 0 | 0 | 113.8 | ||||
| 598 | S | 29 | Very low | 31.9 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | -125.2 | 128.2 | 165.2 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 599 | R | 32.4 | Very low | 32.1 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | trans | -99 | 176.8 | 170 | -153.2 | -156.3 | 167.7 | 166.7 | -2.5 | 108.2 | ||||
| 600 | P | 39.6 | Very low | 32.5 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 70% | 0.695 | 83% | 0.829 | S | S | * | * | -100.8 | 158.1 | -103 | 36.4 | -19.4 | 0 | 0 | 0 | 112.5 | |||||
| 601 | Q | 27.3 | Very low | 32.9 | Very low | 197 Ų | 197 | 149 Ų | 149 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -123.4 | 130.9 | 167.4 | -127.8 | 179.5 | -27.9 | 0 | 0 | 109.7 | ||||
| 602 | A | 29.2 | Very low | 32.6 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -67.6 | 144.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 603 | S | 28.4 | Very low | 32.7 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -116 | 150.2 | 168.9 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 604 | P | 39.5 | Very low | 32.6 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 153 | -178.5 | 24.3 | -10.4 | 0 | 0 | 0 | 112.7 | ||
| 605 | E | 29.4 | Very low | 32.5 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 128.6 | 165.9 | -81.5 | 163.7 | 128.2 | 0 | 0 | 111 | ||
| 606 | E | 29.4 | Very low | 32.7 | Very low | 196 Ų | 196 | 152.2 Ų | 152.2 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 119.3 | 159.1 | -100.1 | 178.8 | 162.3 | 0 | 0 | 107.9 | ||
| 607 | M | 32.4 | Very low | 32.5 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 82% | 0.823 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 136.9 | 167.7 | -79.3 | 167.8 | 149.3 | 0 | 0 | 109.3 | ||
| 608 | Q | 29.9 | Very low | 32.1 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 86% | 0.855 | 85% | 0.845 | S | S | * | * | trans | -120.3 | 116.2 | 174.9 | -149.6 | 165.8 | 37.7 | 0 | 0 | 107.7 | ||||
| 609 | E | 32.8 | Very low | 32.2 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 154.7 | 175.2 | -115.5 | -166.1 | 141.5 | 0 | 0 | 111.8 | ||
| 610 | P | 39.9 | Very low | 32.2 | Very low | 107 Ų | 107 | 156.5 Ų | 156.5 | 70% | 0.695 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 172 | -177.6 | 38.7 | -31.3 | 0 | 0 | 0 | 113.1 | ||
| 611 | P | 38.5 | Very low | 31.9 | Very low | 123 Ų | 123 | 161 Ų | 161 | 80% | 0.799 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 143.1 | -177 | 35.2 | -31 | 0 | 0 | 0 | 114.8 | ||
| 612 | A | 28 | Very low | 32.1 | Very low | 102 Ų | 102 | 160.8 Ų | 160.8 | 84% | 0.843 | 86% | 0.857 | S | S | * | * | trans | 60.4 | 125.1 | 136.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 613 | A | 29.2 | Very low | 32.2 | Very low | 88 Ų | 88 | 165.1 Ų | 165.1 | 73% | 0.727 | 86% | 0.86 | S | S | * | * | trans | -72.8 | 157.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 614 | T | 30.3 | Very low | 32.5 | Very low | 146 Ų | 146 | 169.3 Ų | 169.3 | 90% | 0.896 | 87% | 0.867 | S | S | * | * | trans | -124.5 | 117.8 | 143.8 | 43.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 615 | E | 30.9 | Very low | 31.9 | Very low | 180 Ų | 180 | 167 Ų | 167 | 84% | 0.841 | 87% | 0.866 | S | S | * | * | trans | -70.3 | 138.2 | 170.9 | -59.9 | 168.7 | 162.2 | 0 | 0 | 109.9 | ||||
| 616 | E | 33.8 | Very low | 32 | Very low | 205 Ų | 205 | 164 Ų | 164 | 96% | 0.958 | 87% | 0.867 | S | S | * | * | trans | -143.3 | 146.8 | 142.9 | -77.3 | -160.1 | 170.1 | 0 | 0 | 109.1 | ||||
| 617 | E | 32.2 | Very low | 32 | Very low | 188 Ų | 188 | 158 Ų | 158 | 88% | 0.879 | 86% | 0.857 | S | S | * | * | trans | -85.1 | 156.3 | -150.5 | -61.7 | 172.3 | 149.4 | 0 | 0 | 115.2 | ||||
| 618 | E | 32.4 | Very low | 32.1 | Very low | 187 Ų | 187 | 160 Ų | 160 | 87% | 0.874 | 87% | 0.865 | S | S | * | * | trans | 11.1 | 135.1 | 147.8 | -55.3 | -174.9 | 171 | 0 | 0 | 120.9 | ||||
| 619 | E | 31.8 | Very low | 32.1 | Very low | 198 Ų | 198 | 154.5 Ų | 154.5 | 93% | 0.925 | 86% | 0.857 | S | S | * | * | -163.3 | 133.4 | 112.3 | -103.2 | 179.9 | -167.5 | 0 | 0 | 111 | |||||
| 620 | E | 32.3 | Very low | 32 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 88% | 0.879 | 85% | 0.853 | S | S | * | * | trans | -75.9 | 143.3 | 174.5 | -59.5 | -178.5 | 151.1 | 0 | 0 | 111.2 | ||||
| 621 | E | 32.4 | Very low | 31.5 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 94% | 0.939 | 86% | 0.86 | S | S | * | * | trans | -152.1 | 131.4 | 137.7 | -77 | -153.6 | 157.4 | 0 | 0 | 110.6 | ||||
| 622 | E | 32.5 | Very low | 31.3 | Very low | 192 Ų | 192 | 155.6 Ų | 155.6 | 90% | 0.897 | 87% | 0.865 | S | S | * | * | trans | -76.9 | 136.3 | 168.5 | -62.5 | -171.1 | 153.9 | 0 | 0 | 110.9 | ||||
| 623 | E | 31.1 | Very low | 31.4 | Very low | 197 Ų | 197 | 155.7 Ų | 155.7 | 92% | 0.921 | 86% | 0.859 | S | S | * | * | trans | -162 | 135.8 | 140.4 | -125.3 | -171.8 | 178 | 0 | 0 | 112.7 | ||||
| 624 | E | 32.9 | Very low | 31.6 | Very low | 199 Ų | 199 | 157.4 Ų | 157.4 | 93% | 0.93 | 86% | 0.863 | S | S | * | * | trans | -67 | 143 | 171.4 | -67.9 | -167.7 | 147.6 | 0 | 0 | 112.1 | ||||
| 625 | G | 28.6 | Very low | 31.6 | Very low | 78 Ų | 78 | 157 Ų | 157 | 80% | 0.804 | 86% | 0.859 | S | S | * | * | trans | 179.5 | 100.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 626 | S | 30.5 | Very low | 31.7 | Very low | 133 Ų | 133 | 156.1 Ų | 156.1 | 93% | 0.93 | 86% | 0.861 | S | S | * | * | trans | -47.7 | 137.6 | 165 | 152.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 627 | G | 29.6 | Very low | 31.5 | Very low | 70 Ų | 70 | 154.5 Ų | 154.5 | 72% | 0.722 | 86% | 0.858 | S | S | * | * | trans | 152 | 115 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 628 | E | 34 | Very low | 31.5 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 98% | 0.977 | 85% | 0.848 | S | S | * | * | trans | -54.7 | 141.7 | 164 | -71.6 | 170 | 123.9 | 0 | 0 | 112.7 | ||||
| 629 | G | 30.7 | Very low | 31.6 | Very low | 67 Ų | 67 | 146.5 Ų | 146.5 | 69% | 0.691 | 85% | 0.845 | S | S | * | * | trans | 156.6 | 95.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 630 | T | 30.1 | Very low | 31.5 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 80% | 0.798 | 84% | 0.843 | S | S | * | * | trans | 45.9 | 120.4 | 139.6 | -40.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 631 | T | 29.2 | Very low | 32 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 83% | 0.834 | 84% | 0.838 | S | S | * | * | 175.9 | 125.2 | 118.7 | 31.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 632 | I | 34.3 | Very low | 31.8 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 89% | 0.892 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 125.5 | 174.9 | -51.9 | 168.9 | 0 | 0 | 0 | 106.8 | ||
| 633 | S | 30 | Very low | 31.8 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 147.8 | 170 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 634 | P | 34.8 | Very low | 31.9 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 132.7 | -169.6 | 34 | -30.7 | 0 | 0 | 0 | 111.3 | ||
| 635 | V | 30.6 | Very low | 32 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -110.7 | 124.1 | 165.2 | 175.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 636 | N | 31.2 | Very low | 32.4 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -57.5 | 127 | 176.3 | -82.2 | -60.5 | 0 | 0 | 0 | 111.8 | ||||
| 637 | L | 30.6 | Very low | 32.5 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -114.4 | 117.4 | 161 | -94.9 | 137.1 | 0 | 0 | 0 | 108.7 | ||||
| 638 | A | 32.5 | Very low | 32.7 | Very low | 81 Ų | 81 | 145.8 Ų | 145.8 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 149.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 639 | P | 33.7 | Very low | 32.7 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 125 | 178.9 | 1 | 17.9 | 0 | 0 | 0 | 110.9 | ||
| 640 | F | 30.8 | Very low | 32.9 | Very low | 202 Ų | 202 | 145.1 Ų | 145.1 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82 | 141.7 | 162 | -86.1 | -84 | 0 | 0 | 0 | 110.4 | ||
| 641 | P | 41.2 | Very low | 32.8 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 151.5 | -173.2 | 31.8 | -33.2 | 0 | 0 | 0 | 114.1 | ||
| 642 | E | 29.6 | Very low | 33.1 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 139 | -177.9 | -69.6 | 165.8 | 139.1 | 0 | 0 | 114.3 | ||
| 643 | A | 32.6 | Very low | 33.5 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 120 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F645 | A643-F645 PolarHBondContact O-N 3.44Š|
| 644 | E | 32.1 | Very low | 33.5 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 116.7 | 174.2 | -65.8 | -176.6 | 157.2 | 0 | 0 | 111.2 | ||
| 645 | F | 35.3 | Very low | 33.4 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 121.9 | 167.5 | -93.2 | -88.8 | 0 | 0 | 0 | 110.7 | A643 | A643-F645 PolarHBondContact O-N 3.44Š|
| 646 | W | 37.6 | Very low | 33.6 | Very low | 225 Ų | 225 | 142 Ų | 142 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 124.2 | 172.6 | -77.4 | 87.4 | 0 | 0 | 0 | 111.5 | ||
| 647 | A | 31.4 | Very low | 33.6 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 122.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 648 | I | 34.9 | Very low | 34 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -101.4 | 109.6 | 168.2 | -64.6 | 175 | 0 | 0 | 0 | 107.7 | T650 | I648-T650 HydrophobicContact CG2-CG2 4.09Š| ||
| 649 | L | 33.2 | Very low | 33.9 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 72% | 0.723 | 80% | 0.804 | S | S | * | * | trans | -92 | 115.9 | 166.1 | -79.1 | 164.7 | 0 | 0 | 0 | 108.6 | ||||
| 650 | T | 34.9 | Very low | 34.1 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -117.3 | 109.7 | 161.5 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | I648 | I648-T650 HydrophobicContact CG2-CG2 4.09Š| ||
| 651 | S | 28.4 | Very low | 34.1 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -96.7 | 124.9 | 166.1 | 175.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 652 | V | 35.2 | Very low | 33.7 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -127.8 | 122.8 | 167.1 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 653 | P | 42.2 | Very low | 33.7 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -84.3 | 134.1 | 174.5 | 31.6 | -29.4 | 0 | 0 | 0 | 111.3 | ||||
| 654 | G | 30.5 | Very low | 33.7 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | -73 | 136.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 655 | T | 32 | Very low | 33.8 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -120.8 | 96.6 | 160.8 | -56.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 656 | I | 34.9 | Very low | 33.7 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -95.4 | 105.6 | 171.4 | -61.3 | 176.8 | 0 | 0 | 0 | 107.7 | ||||
| 657 | R | 31.2 | Very low | 33.7 | Very low | 234 Ų | 234 | 131.9 Ų | 131.9 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -104 | 123.2 | 166.3 | -165.8 | 178.8 | -175.1 | -170.9 | 2.1 | 108.2 | ||||
| 658 | S | 39 | Very low | 33.9 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -55.2 | 133.4 | 177.1 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 659 | G | 31.1 | Very low | 33.8 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | -150.6 | 103.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 660 | S | 37.7 | Very low | 34.3 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 87% | 0.874 | 86% | 0.862 | S | S | * | * | trans | -67 | 129.3 | 173 | -45.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 661 | L | 32.1 | Very low | 34.2 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 89% | 0.89 | 87% | 0.867 | S | S | * | * | trans | -140.5 | 115.7 | 166.3 | -100.1 | 157 | 0 | 0 | 0 | 110.3 | ||||
| 662 | S | 31.9 | Very low | 34.5 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 87% | 0.87 | S | S | * | * | trans | -58.5 | 131.7 | 174.6 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | A664 | S662-A664 PolarHBondContact O-N 3.37Š| ||
| 663 | V | 30.6 | Very low | 34.5 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 89% | 0.891 | 87% | 0.874 | S | S | * | * | trans | -84 | 105.4 | 163.6 | 175.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 664 | A | 30.6 | Very low | 34 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 78% | 0.777 | 88% | 0.883 | S | S | * | * | trans | -94.6 | 117.7 | 164 | 0 | 0 | 0 | 0 | 0 | 108.9 | S662 | S662-A664 PolarHBondContact O-N 3.37Š| ||
| 665 | S | 34.4 | Very low | 34.3 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 89% | 0.891 | S | S | * | * | trans | -73 | 127.7 | 172.2 | -161.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 666 | A | 33.7 | Very low | 34.4 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 77% | 0.769 | 89% | 0.894 | S | S | * | * | trans | -136.8 | 107.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 667 | R | 37.8 | Very low | 34.4 | Very low | 235 Ų | 235 | 141.3 Ų | 141.3 | 89% | 0.887 | 90% | 0.896 | S | S | * | * | trans | -58.3 | 143 | 161.6 | -69.2 | 172.9 | 175.3 | 175.3 | -2.7 | 109.6 | ||||
| 668 | L | 35.2 | Very low | 34.6 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 89% | 0.885 | 90% | 0.897 | S | S | * | * | trans | -145.2 | 119.2 | 150 | -105.3 | 130.5 | 0 | 0 | 0 | 110.2 | ||||
| 669 | C | 34.1 | Very low | 34.3 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 89% | 0.892 | 90% | 0.903 | S | S | * | * | trans | -62.4 | 146.1 | 162 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 670 | G | 42 | Very low | 34.5 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 100% | 1.577 | 92% | 0.918 | S | S | * | * | trans | -179.2 | 0 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 670 of 670 residues in 733.4 ms
(Link to these results)