| 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 | 37.7 | Very low | 45.2 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 100% | 1.187 | 77% | 0.77 | S | S | * | * | 0 | 104 | 0 | -93.3 | 167 | 128 | 0 | 0 | 109.2 | M3 | M1-M3 PolarHBondContact O-N 3.45Š| |||
| 2 | K | 33.9 | Very low | 46.6 | Very low | 216 Ų | 216 | 146.8 Ų | 146.8 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | trans | -81.7 | 106.7 | 167.3 | -90.6 | 179.6 | 173.8 | 176.3 | 0 | 107.2 | S4 | K2-S4 PolarHBondContact O-N 3.24Š| ||
| 3 | M | 31.8 | Very low | 47.8 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | trans | -67.5 | 114.2 | 169.3 | -74.9 | -158 | -73.3 | 0 | 0 | 108.2 | M1 I5 | M1-M3 PolarHBondContact O-N 3.45Å; M3-I5 PolarHBondContact O-N 2.95Å | ||
| 4 | S | 35.8 | Very low | 48.9 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -71.8 | 112.9 | 169.1 | 64.6 | 0 | 0 | 0 | 0 | 108 | K2 R6 | K2-S4 PolarHBondContact O-N 3.24Å; S4-R6 VanDerWaalsContact C-N 3.33Å; S4-R6 PolarHBondContact O-N 3.25Å | ||
| 5 | I | 39.6 | Very low | 49.9 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 67% | 0.666 | S | S | * | * | trans | -69.7 | 97.2 | 171.7 | -58.9 | 171.9 | 0 | 0 | 0 | 105.8 | M3 T7 | M3-I5 PolarHBondContact O-N 2.95Å; I5-T7 PolarHBondContact O-N 3.28Å | ||
| 6 | R | 43.4 | Very low | 50.7 | Low | 223 Ų | 223 | 122.8 Ų | 122.8 | 84% | 0.842 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 116 | 170.5 | -76.9 | -176.8 | 174.1 | 178.4 | -1.3 | 107.6 | S4 | S4-R6 VanDerWaalsContact C-N 3.33Å; S4-R6 PolarHBondContact O-N 3.25Å |
| 7 | T | 47 | Very low | 51.6 | Low | 130 Ų | 130 | 122.2 Ų | 122.2 | 80% | 0.798 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 127 | 169.7 | -8.7 | 0 | 0 | 0 | 0 | 108.7 | I5 | I5-T7 PolarHBondContact O-N 3.28Š|
| 8 | P | 47.2 | Very low | 52.3 | Low | 106 Ų | 106 | 120.1 Ų | 120.1 | 69% | 0.688 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 140.3 | -179.9 | 22.5 | -30.2 | 0 | 0 | 0 | 110.2 | ||
| 9 | P | 54.9 | Low | 52.9 | Low | 46 Ų | 46 | 115.8 Ų | 115.8 | 30% | 0.299 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -61 | 138.4 | 179.4 | 23.7 | -32.1 | 0 | 0 | 0 | 110.5 | E13 L14 | P9-E13 VanDerWaalsContact CA-OE2 3.24Å; P9-E13 WeakPolarHBondContact CA-OE2 3.37Å; P9-E13 HydrophobicContact CB-CB 4.28Å; P9-E13 WeakPolarHBondContact CB-OE2 3.34Å; P9-L14 HydrophobicContact CB-CD2 4.21Å; P9-L14 HydrophobicContact CB-CG 4.13Å; P9-L14 HydrophobicContact CG-CD1 4.29Å; P9-L14 HydrophobicContact CG-CD2 3.67Å; P9-L14 HydrophobicContact CG-CG 3.94Å |
| 10 | R | 65.8 | Low | 53.4 | Low | 139 Ų | 139 | 111.1 Ų | 111.1 | 53% | 0.525 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -64 | 153.6 | -178.8 | -68.3 | -178.2 | 173.9 | -162.9 | -4.9 | 110.1 | L12 E13 L14 E120 | R10-L12 PolarHBondContact O-N 3.11Å; R10-L12 VanDerWaalsContact O-N 3.11Å; R10-E13 HydrophobicContact CB-CG 4.24Å; R10-E13 PolarHBondContact N-OE2 2.85Å; R10-E13 VanDerWaalsContact N-OE2 3.17Å; R10-E13 WeakPolarHBondContact O-CA 3.36Å; R10-E13 WeakPolarHBondContact O-CB 3.42Å; R10-E13 PolarHBondContact O-N 2.93Å; R10-L14 PolarHBondContact O-N 3.17Å; R10-E120 IonicContact NH1-OE2 3.58Å; R10-E120 PolarHBondContact NH1-OE2 3.19Å; R10-E120 VanDerWaalsContact NH1-OE2 3.1Å |
| 11 | L | 60.4 | Low | 53.9 | Low | 147 Ų | 147 | 115.9 Ų | 115.9 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -53.2 | -36.5 | 178.1 | -175.1 | 66.8 | 0 | 0 | 0 | 112.3 | L14 A15 | L11-L14 PolarHBondContact O-N 2.76Å; L11-A15 WeakPolarHBondContact O-CB 3.19Å; L11-A15 PolarHBondContact O-N 3.34Å |
| 12 | L | 61.7 | Low | 55.2 | Low | 71 Ų | 71 | 108 Ų | 108 | 37% | 0.372 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 174.6 | -172.6 | 65.4 | 0 | 0 | 0 | 113 | R10 G16 L37 P40 L41 | R10-L12 PolarHBondContact O-N 3.11Å; R10-L12 VanDerWaalsContact O-N 3.11Å; L12-G16 PolarHBondContact O-N 3.27Å; L12-L37 HydrophobicContact CD1-CD2 4.02Å; L12-P40 HydrophobicContact CD1-CG 4.47Å; L12-P40 HydrophobicContact CD2-CB 3.96Å; L12-P40 HydrophobicContact CD2-CG 4.19Å; L12-L41 HydrophobicContact CD1-CD2 4.15Å; L12-L41 HydrophobicContact CD1-CG 4.17Å |
| 13 | E | 61.4 | Low | 56.3 | Low | 78 Ų | 78 | 104 Ų | 104 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.3 | -35.2 | 175.9 | -63.3 | 173.9 | 176.1 | 0 | 0 | 111.3 | P9 R10 R17 | P9-E13 VanDerWaalsContact CA-OE2 3.24Å; P9-E13 WeakPolarHBondContact CA-OE2 3.37Å; P9-E13 HydrophobicContact CB-CB 4.28Å; P9-E13 WeakPolarHBondContact CB-OE2 3.34Å; R10-E13 HydrophobicContact CB-CG 4.24Å; R10-E13 PolarHBondContact N-OE2 2.85Å; R10-E13 VanDerWaalsContact N-OE2 3.17Å; R10-E13 WeakPolarHBondContact O-CA 3.36Å; R10-E13 WeakPolarHBondContact O-CB 3.42Å; R10-E13 PolarHBondContact O-N 2.93Å; E13-R17 WeakPolarHBondContact O-CB 3.34Å; E13-R17 WeakPolarHBondContact O-CG 3.24Å; E13-R17 PolarHBondContact O-N 3.15Å |
| 14 | L | 64.4 | Low | 57.1 | Low | 82 Ų | 82 | 100 Ų | 100 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.1 | -43.6 | 174.6 | -71.8 | 172.3 | 0 | 0 | 0 | 111.5 | P9 R10 L11 R17 S18 | P9-L14 HydrophobicContact CB-CD2 4.21Å; P9-L14 HydrophobicContact CB-CG 4.13Å; P9-L14 HydrophobicContact CG-CD1 4.29Å; P9-L14 HydrophobicContact CG-CD2 3.67Å; P9-L14 HydrophobicContact CG-CG 3.94Å; R10-L14 PolarHBondContact O-N 3.17Å; L11-L14 PolarHBondContact O-N 2.76Å; L14-R17 PolarHBondContact O-N 3.22Å; L14-S18 WeakPolarHBondContact O-CB 3.41Å; L14-S18 PolarHBondContact O-N 2.85Å |
| 15 | A | 63.3 | Low | 57.9 | Low | 44 Ų | 44 | 100.1 Ų | 100.1 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L11 R17 S18 L19 | L11-A15 WeakPolarHBondContact O-CB 3.19Å; L11-A15 PolarHBondContact O-N 3.34Å; A15-R17 PolarHBondContact O-N 3.37Å; A15-S18 PolarHBondContact O-N 3.23Å; A15-L19 WeakPolarHBondContact O-CB 3.25Å; A15-L19 PolarHBondContact O-N 2.83Å |
| 16 | G | 62.9 | Low | 58.8 | Low | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.5 | -47 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | L12 S18 L20 | L12-G16 PolarHBondContact O-N 3.27Å; G16-S18 VanDerWaalsContact C-N 3.3Å; G16-S18 PolarHBondContact O-N 2.86Å; G16-L20 WeakPolarHBondContact O-CB 3.38Å; G16-L20 VanDerWaalsContact O-CD1 3.25Å; G16-L20 WeakPolarHBondContact O-CD1 3.43Å; G16-L20 WeakPolarHBondContact O-CG 3.27Å; G16-L20 PolarHBondContact O-N 3.34Å |
| 17 | R | 65.1 | Low | 59.4 | Low | 113 Ų | 113 | 87.5 Ų | 87.5 | 43% | 0.426 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63 | -33.7 | 177.4 | -76.8 | 171 | -169.9 | -161.9 | 6.9 | 113.6 | E13 L14 A15 R21 | E13-R17 WeakPolarHBondContact O-CB 3.34Å; E13-R17 WeakPolarHBondContact O-CG 3.24Å; E13-R17 PolarHBondContact O-N 3.15Å; L14-R17 PolarHBondContact O-N 3.22Å; A15-R17 PolarHBondContact O-N 3.37Å; R17-R21 WeakPolarHBondContact O-CB 2.96Å; R17-R21 WeakPolarHBondContact O-CG 3.09Å |
| 18 | S | 65.1 | Low | 60.1 | Low | 84 Ų | 84 | 84.8 Ų | 84.8 | 59% | 0.587 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -79 | -50.5 | 180 | -164.5 | 0 | 0 | 0 | 0 | 111.5 | L14 A15 G16 L20 R21 | L14-S18 WeakPolarHBondContact O-CB 3.41Å; L14-S18 PolarHBondContact O-N 2.85Å; A15-S18 PolarHBondContact O-N 3.23Å; G16-S18 VanDerWaalsContact C-N 3.3Å; G16-S18 PolarHBondContact O-N 2.86Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.49Å; S18-R21 PolarHBondContact O-N 2.98Å; S18-R21 VanDerWaalsContact O-N 3.15Å |
| 19 | L | 64 | Low | 60.9 | Low | 39 Ų | 39 | 81.8 Ų | 81.8 | 20% | 0.204 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.7 | -33.6 | -180 | -161 | 84.1 | 0 | 0 | 0 | 111.9 | A15 R21 T29 L30 L41 | A15-L19 WeakPolarHBondContact O-CB 3.25Å; A15-L19 PolarHBondContact O-N 2.83Å; L19-R21 VanDerWaalsContact C-N 3.34Å; L19-T29 WeakPolarHBondContact CD1-OG1 3.31Å; L19-L30 HydrophobicContact CD2-CD2 4.11Å; L19-L41 HydrophobicContact CD2-CD1 4.26Å |
| 20 | L | 63.1 | Low | 61.8 | Low | 20 Ų | 20 | 79.9 Ų | 79.9 | 11% | 0.105 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.3 | 179 | -57.1 | 170.4 | 0 | 0 | 0 | 113.7 | G16 S18 E44 A45 R50 A53 | G16-L20 WeakPolarHBondContact O-CB 3.38Å; G16-L20 VanDerWaalsContact O-CD1 3.25Å; G16-L20 WeakPolarHBondContact O-CD1 3.43Å; G16-L20 WeakPolarHBondContact O-CG 3.27Å; G16-L20 PolarHBondContact O-N 3.34Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.49Å; L20-E44 HydrophobicContact CD1-CG 4.44Å; L20-A45 HydrophobicContact CD1-CB 4.18Å; L20-A45 HydrophobicContact CD2-CB 3.64Å; L20-R50 HydrophobicContact CB-CB 4.49Å; L20-R50 HydrophobicContact CB-CG 4.02Å; L20-R50 HydrophobicContact CD1-CG 4.12Å; L20-R50 HydrophobicContact CD2-CB 4.1Å; L20-R50 HydrophobicContact CD2-CG 4.38Å; L20-R50 HydrophobicContact CG-CG 4.39Å; L20-A53 HydrophobicContact CD2-CB 3.23Å |
| 21 | R | 64.3 | Low | 61.9 | Low | 213 Ų | 213 | 77.9 Ų | 77.9 | 80% | 0.804 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -30.4 | 177.6 | -103.3 | -178 | 170.5 | -175.2 | -3.1 | 113.3 | R17 S18 L19 | R17-R21 WeakPolarHBondContact O-CB 2.96Å; R17-R21 WeakPolarHBondContact O-CG 3.09Å; S18-R21 PolarHBondContact O-N 2.98Å; S18-R21 VanDerWaalsContact O-N 3.15Å; L19-R21 VanDerWaalsContact C-N 3.34Å |
| 22 | D | 63.4 | Low | 62.6 | Low | 75 Ų | 75 | 78.4 Ų | 78.4 | 40% | 0.401 | 41% | 0.409 | S | S | . | . | trans | -119.1 | 107.8 | -173.3 | -161.1 | -34.1 | 0 | 0 | 0 | 111.3 | A24 L25 | D22-A24 PolarHBondContact OD1-N 2.8Å; D22-L25 HydrophobicContact CB-CB 4.38Å; D22-L25 WeakPolarHBondContact OD2-CD1 3.15Å | ||
| 23 | Q | 56.8 | Low | 63.3 | Low | 133 Ų | 133 | 76.2 Ų | 76.2 | 62% | 0.621 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -72.1 | -29.8 | -175.9 | -74.3 | 173.1 | -13.8 | 0 | 0 | 113.2 | E52 | Q23-E52 HydrophobicContact CG-CB 4.38Å; Q23-E52 VanDerWaalsContact NE2-CB 3.31Å; Q23-E52 VanDerWaalsContact NE2-CG 3.26Å |
| 24 | A | 50.3 | Low | 64.2 | Low | 91 Ų | 91 | 75.7 Ų | 75.7 | 75% | 0.752 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -81.2 | -31.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D22 | D22-A24 PolarHBondContact OD1-N 2.8Å |
| 25 | L | 52.3 | Low | 65 | Low | 105 Ų | 105 | 74.3 Ų | 74.3 | 55% | 0.55 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -78.8 | -16.8 | 173.7 | -93.4 | 136.5 | 0 | 0 | 0 | 113.4 | D22 T29 | D22-L25 HydrophobicContact CB-CB 4.38Å; D22-L25 WeakPolarHBondContact OD2-CD1 3.15Å; L25-T29 WeakPolarHBondContact O-CB 3.33Å; L25-T29 VanDerWaalsContact O-CG2 3.27Å; L25-T29 WeakPolarHBondContact O-CG2 3.14Å; L25-T29 PolarHBondContact O-N 3.13Å; L25-T29 PolarHBondContact O-OG1 3.46Å |
| 26 | A | 57.1 | Low | 65.9 | Low | 5 Ų | 5 | 76.8 Ų | 76.8 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72.7 | -34.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T29 L30 L56 | A26-T29 VanDerWaalsContact CA-OG1 3.31Å; A26-T29 WeakPolarHBondContact CA-OG1 3.38Å; A26-T29 PolarHBondContact O-OG1 2.73Å; A26-T29 VanDerWaalsContact O-OG1 3.13Å; A26-L30 VanDerWaalsContact O-CB 3.29Å; A26-L30 WeakPolarHBondContact O-CB 3.34Å; A26-L30 WeakPolarHBondContact O-CD1 3.42Å; A26-L30 WeakPolarHBondContact O-CG 3.47Å; A26-L30 PolarHBondContact O-N 2.63Å; A26-L56 HydrophobicContact CB-CD1 3.9Å |
| 27 | M | 57.3 | Low | 66.7 | Low | 116 Ų | 116 | 79.9 Ų | 79.9 | 57% | 0.571 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71 | -47.5 | -175.8 | -76.6 | -140.5 | -63.1 | 0 | 0 | 113.5 | T29 L30 E31 L56 | M27-T29 VanDerWaalsContact C-N 3.33Å; M27-L30 PolarHBondContact O-N 3.1Å; M27-E31 PolarHBondContact O-N 3.41Å; M27-L56 HydrophobicContact CG-CD1 3.9Å; M27-L56 HydrophobicContact CG-CD2 3.59Å; M27-L56 HydrophobicContact CG-CG 4.29Å; M27-L56 HydrophobicContact SD-CD2 3.64Å |
| 28 | S | 60.2 | Low | 67.6 | Low | 73 Ų | 73 | 74.5 Ų | 74.5 | 51% | 0.51 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | E31 | S28-E31 PolarHBondContact O-N 2.71Å |
| 29 | T | 65.1 | Low | 68.6 | Low | 44 Ų | 44 | 70.5 Ų | 70.5 | 27% | 0.27 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.3 | -30.4 | 178.6 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | L19 L25 A26 M27 E31 E32 L33 | L19-T29 WeakPolarHBondContact CD1-OG1 3.31Å; L25-T29 WeakPolarHBondContact O-CB 3.33Å; L25-T29 VanDerWaalsContact O-CG2 3.27Å; L25-T29 WeakPolarHBondContact O-CG2 3.14Å; L25-T29 PolarHBondContact O-N 3.13Å; L25-T29 PolarHBondContact O-OG1 3.46Å; A26-T29 VanDerWaalsContact CA-OG1 3.31Å; A26-T29 WeakPolarHBondContact CA-OG1 3.38Å; A26-T29 PolarHBondContact O-OG1 2.73Å; A26-T29 VanDerWaalsContact O-OG1 3.13Å; M27-T29 VanDerWaalsContact C-N 3.33Å; T29-E31 VanDerWaalsContact C-N 3.33Å; T29-E32 PolarHBondContact O-N 2.62Å; T29-L33 PolarHBondContact O-N 3.47Å; T29-L33 VanDerWaalsContact O-N 3.08Å |
| 30 | L | 72.9 | Confident | 69.4 | Low | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.6 | -29.3 | 175.2 | -76.1 | 169.4 | 0 | 0 | 0 | 112.7 | L19 A26 M27 E32 L33 F38 L56 M57 A60 R99 | L19-L30 HydrophobicContact CD2-CD2 4.11Å; A26-L30 VanDerWaalsContact O-CB 3.29Å; A26-L30 WeakPolarHBondContact O-CB 3.34Å; A26-L30 WeakPolarHBondContact O-CD1 3.42Å; A26-L30 WeakPolarHBondContact O-CG 3.47Å; A26-L30 PolarHBondContact O-N 2.63Å; M27-L30 PolarHBondContact O-N 3.1Å; L30-E32 VanDerWaalsContact C-N 3.28Å; L30-E32 PolarHBondContact O-N 3.45Å; L30-L33 HydrophobicContact CD2-CD2 4.29Å; L30-F38 HydrophobicContact CB-CZ 4.36Å; L30-F38 HydrophobicContact CD2-CE1 4.18Å; L30-F38 HydrophobicContact CD2-CZ 3.99Å; L30-F38 WeakPolarHBondContact O-CZ 3.38Å; L30-L56 HydrophobicContact CD1-CB 3.72Å; L30-M57 HydrophobicContact CD1-CG 4.19Å; L30-M57 HydrophobicContact CD2-CG 3.94Å; L30-A60 HydrophobicContact CB-CB 4.19Å; L30-R99 PolarHBondContact O-NH1 3.12Å |
| 31 | E | 69.5 | Low | 70.3 | Confident | 97 Ų | 97 | 69 Ų | 69 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.5 | -21.8 | 173.4 | -69.5 | -159.8 | 156.9 | 0 | 0 | 113.4 | M27 S28 T29 R99 | M27-E31 PolarHBondContact O-N 3.41Å; S28-E31 PolarHBondContact O-N 2.71Å; T29-E31 VanDerWaalsContact C-N 3.33Å; E31-R99 PolarHBondContact O-NE 2.99Å; E31-R99 PolarHBondContact O-NH1 3.33Å; E31-R99 PolarHBondContact O-NH2 2.8Å |
| 32 | E | 73.4 | Confident | 71.4 | Confident | 158 Ų | 158 | 58.9 Ų | 58.9 | 74% | 0.738 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -98.6 | -17 | 179.9 | -65.5 | -177.1 | 175.2 | 0 | 0 | 112.7 | T29 L30 | T29-E32 PolarHBondContact O-N 2.62Å; L30-E32 VanDerWaalsContact C-N 3.28Å; L30-E32 PolarHBondContact O-N 3.45Å |
| 33 | L | 77.5 | Confident | 72.3 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -63 | 133.6 | -175.8 | -171.5 | 75 | 0 | 0 | 0 | 112.7 | T29 L30 L37 F38 L41 R99 | T29-L33 PolarHBondContact O-N 3.47Å; T29-L33 VanDerWaalsContact O-N 3.08Å; L30-L33 HydrophobicContact CD2-CD2 4.29Å; L33-L37 HydrophobicContact CD1-CB 4.07Å; L33-L37 HydrophobicContact CD1-CD1 3.91Å; L33-L37 HydrophobicContact CD2-CB 4.24Å; L33-L37 HydrophobicContact CG-CB 4.11Å; L33-F38 HydrophobicContact CB-CD2 4.41Å; L33-F38 HydrophobicContact CB-CE2 3.93Å; L33-F38 HydrophobicContact CD2-CD2 3.63Å; L33-F38 HydrophobicContact CD2-CE2 3.74Å; L33-F38 HydrophobicContact CD2-CG 4.28Å; L33-F38 HydrophobicContact CD2-CZ 4.45Å; L33-F38 HydrophobicContact CG-CD2 4.24Å; L33-F38 HydrophobicContact CG-CE2 4.23Å; L33-L41 HydrophobicContact CD1-CD1 4.21Å; L33-L41 HydrophobicContact CD2-CD1 3.63Å; L33-R99 PolarHBondContact O-NH1 3.41Å; L33-R99 PolarHBondContact O-NH2 3.22Å |
| 34 | P | 80.1 | Confident | 73.4 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 43% | 0.429 | 29% | 0.292 | S | S | . | . | trans | -57 | 143 | 171.3 | -25.6 | 33.5 | 0 | 0 | 0 | 113 | E36 L37 | P34-E36 WeakPolarHBondContact CB-OE2 3.35Å; P34-E36 PolarHBondContact O-N 3.29Å; P34-L37 HydrophobicContact CB-CG 4.41Å; P34-L37 HydrophobicContact CG-CD1 4.28Å; P34-L37 PolarHBondContact O-N 3.49Å; P34-L37 VanDerWaalsContact O-N 3.12Å | ||
| 35 | T | 81.4 | Confident | 75 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.5 | -175.6 | 42.5 | 0 | 0 | 0 | 0 | 113.6 | L37 F38 P39 P62 | T35-L37 VanDerWaalsContact C-N 3.28Å; T35-L37 PolarHBondContact O-N 3.28Å; T35-F38 PolarHBondContact O-N 3.08Å; T35-P39 WeakPolarHBondContact O-CD 3.26Å; T35-P62 HydrophobicContact CG2-CB 3.58Å; T35-P62 HydrophobicContact CG2-CG 4.09Å |
| 36 | E | 81.3 | Confident | 76.6 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25.5 | 179.8 | -59.3 | 68.3 | -147.7 | 0 | 0 | 112 | P34 P40 W118 | P34-E36 WeakPolarHBondContact CB-OE2 3.35Å; P34-E36 PolarHBondContact O-N 3.29Å; E36-P40 WeakPolarHBondContact O-CD 3.33Å; E36-W118 HydrophobicContact CB-CE3 4.41Å; E36-W118 HydrophobicContact CB-CZ3 3.81Å; E36-W118 HydrophobicContact CG-CH2 4.12Å; E36-W118 HydrophobicContact CG-CZ3 3.7Å |
| 37 | L | 80.3 | Confident | 77.7 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -16.8 | -179.2 | -60.8 | -176.4 | 0 | 0 | 0 | 112.9 | L12 L33 P34 T35 P40 L41 | L12-L37 HydrophobicContact CD1-CD2 4.02Å; L33-L37 HydrophobicContact CD1-CB 4.07Å; L33-L37 HydrophobicContact CD1-CD1 3.91Å; L33-L37 HydrophobicContact CD2-CB 4.24Å; L33-L37 HydrophobicContact CG-CB 4.11Å; P34-L37 HydrophobicContact CB-CG 4.41Å; P34-L37 HydrophobicContact CG-CD1 4.28Å; P34-L37 PolarHBondContact O-N 3.49Å; P34-L37 VanDerWaalsContact O-N 3.12Å; T35-L37 VanDerWaalsContact C-N 3.28Å; T35-L37 PolarHBondContact O-N 3.28Å; L37-P40 WeakPolarHBondContact O-CD 3.43Å; L37-P40 WeakPolarHBondContact O-CG 3.06Å; L37-L41 HydrophobicContact CB-CD1 4.24Å; L37-L41 WeakPolarHBondContact O-CB 3.48Å; L37-L41 WeakPolarHBondContact O-CD1 3.35Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.34Å; L37-L41 PolarHBondContact O-N 3.28Å |
| 38 | F | 84.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -53 | -179.8 | -101 | -95.9 | 0 | 0 | 0 | 113.2 | L30 L33 T35 L41 F42 M57 A60 W61 P62 | L30-F38 HydrophobicContact CB-CZ 4.36Å; L30-F38 HydrophobicContact CD2-CE1 4.18Å; L30-F38 HydrophobicContact CD2-CZ 3.99Å; L30-F38 WeakPolarHBondContact O-CZ 3.38Å; L33-F38 HydrophobicContact CB-CD2 4.41Å; L33-F38 HydrophobicContact CB-CE2 3.93Å; L33-F38 HydrophobicContact CD2-CD2 3.63Å; L33-F38 HydrophobicContact CD2-CE2 3.74Å; L33-F38 HydrophobicContact CD2-CG 4.28Å; L33-F38 HydrophobicContact CD2-CZ 4.45Å; L33-F38 HydrophobicContact CG-CD2 4.24Å; L33-F38 HydrophobicContact CG-CE2 4.23Å; T35-F38 PolarHBondContact O-N 3.08Å; F38-L41 PolarHBondContact O-N 3.46Å; F38-F42 VanDerWaalsContact O-CB 3.26Å; F38-F42 WeakPolarHBondContact O-CB 3.32Å; F38-F42 PolarHBondContact O-N 3.08Å; F38-M57 HydrophobicContact CD1-CE 4.16Å; F38-A60 HydrophobicContact CE1-CB 4.06Å; F38-A60 WeakPolarHBondContact CE1-O 3.26Å; F38-A60 HydrophobicContact CZ-CB 3.9Å; F38-A60 WeakPolarHBondContact CZ-O 3.45Å; F38-W61 HydrophobicContact CD1-CE3 4.12Å; F38-W61 HydrophobicContact CD1-CZ3 4.41Å; F38-P62 HydrophobicContact CB-CG 3.87Å; F38-P62 VanDerWaalsContact CD1-CD 3.45Å; F38-P62 HydrophobicContact CD1-CG 4.11Å; F38-P62 HydrophobicContact CD2-CG 3.93Å; F38-P62 HydrophobicContact CE2-CG 4.47Å; F38-P62 HydrophobicContact CG-CG 3.71Å |
| 39 | P | 85.4 | Confident | 80 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | -179 | -23.4 | 33 | 0 | 0 | 0 | 114.5 | T35 L41 F42 M43 F63 F114 W115 W118 | T35-P39 WeakPolarHBondContact O-CD 3.26Å; P39-L41 PolarHBondContact O-N 3.46Å; P39-F42 PolarHBondContact O-N 2.86Å; P39-M43 WeakPolarHBondContact O-CG 3.32Å; P39-M43 PolarHBondContact O-N 3.48Å; P39-F63 HydrophobicContact CG-CE2 3.72Å; P39-F63 HydrophobicContact CG-CZ 4.22Å; P39-F114 HydrophobicContact CB-CE1 4.34Å; P39-F114 HydrophobicContact CG-CE1 4.39Å; P39-F114 HydrophobicContact CG-CZ 4.17Å; P39-W115 HydrophobicContact CB-CE3 4.2Å; P39-W115 HydrophobicContact CB-CZ3 3.86Å; P39-W118 HydrophobicContact CB-CB 3.78Å; P39-W118 HydrophobicContact CB-CG 4.04Å; P39-W118 HydrophobicContact CG-CB 4.17Å; P39-W118 HydrophobicContact CG-CD2 4.35Å; P39-W118 HydrophobicContact CG-CG 3.9Å |
| 40 | P | 80.6 | Confident | 81 | Confident | 23 Ų | 23 | 51 Ų | 51 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.7 | -36 | -179.4 | 26.4 | -34.5 | 0 | 0 | 0 | 113 | L12 E36 L37 F42 M43 E44 | L12-P40 HydrophobicContact CD1-CG 4.47Å; L12-P40 HydrophobicContact CD2-CB 3.96Å; L12-P40 HydrophobicContact CD2-CG 4.19Å; E36-P40 WeakPolarHBondContact O-CD 3.33Å; L37-P40 WeakPolarHBondContact O-CD 3.43Å; L37-P40 WeakPolarHBondContact O-CG 3.06Å; P40-F42 VanDerWaalsContact C-N 3.33Å; P40-M43 HydrophobicContact CB-CE 4.49Å; P40-M43 PolarHBondContact O-N 3.43Å; P40-E44 PolarHBondContact O-N 3.45Å; P40-E44 VanDerWaalsContact O-N 3.08Å |
| 41 | L | 83.6 | Confident | 81.6 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 174.5 | -73.3 | 172.3 | 0 | 0 | 0 | 112.1 | L12 L19 L33 L37 F38 P39 E44 A45 M57 | L12-L41 HydrophobicContact CD1-CD2 4.15Å; L12-L41 HydrophobicContact CD1-CG 4.17Å; L19-L41 HydrophobicContact CD2-CD1 4.26Å; L33-L41 HydrophobicContact CD1-CD1 4.21Å; L33-L41 HydrophobicContact CD2-CD1 3.63Å; L37-L41 HydrophobicContact CB-CD1 4.24Å; L37-L41 WeakPolarHBondContact O-CB 3.48Å; L37-L41 WeakPolarHBondContact O-CD1 3.35Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.34Å; L37-L41 PolarHBondContact O-N 3.28Å; F38-L41 PolarHBondContact O-N 3.46Å; P39-L41 PolarHBondContact O-N 3.46Å; L41-E44 PolarHBondContact O-N 3Å; L41-A45 WeakPolarHBondContact O-CB 3.29Å; L41-A45 PolarHBondContact O-N 3.32Å; L41-M57 HydrophobicContact CB-CE 3.72Å |
| 42 | F | 86.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.8 | -175.4 | -87 | 0 | 0 | 0 | 111.1 | F38 P39 P40 E44 A45 F46 L54 M57 V58 W61 L66 L68 L71 V83 W115 | F38-F42 VanDerWaalsContact O-CB 3.26Å; F38-F42 WeakPolarHBondContact O-CB 3.32Å; F38-F42 PolarHBondContact O-N 3.08Å; P39-F42 PolarHBondContact O-N 2.86Å; P40-F42 VanDerWaalsContact C-N 3.33Å; F42-E44 VanDerWaalsContact C-N 3.33Å; F42-E44 PolarHBondContact O-N 3.45Å; F42-A45 PolarHBondContact O-N 3.47Å; F42-F46 HydrophobicContact CE1-CD2 4.33Å; F42-F46 VanDerWaalsContact O-CB 3.28Å; F42-F46 WeakPolarHBondContact O-CB 3.49Å; F42-F46 PolarHBondContact O-N 3.35Å; F42-L54 HydrophobicContact CD2-CD2 4.08Å; F42-L54 HydrophobicContact CE1-CD2 4.42Å; F42-L54 HydrophobicContact CE2-CD2 3.85Å; F42-L54 HydrophobicContact CG-CD2 4.48Å; F42-L54 HydrophobicContact CZ-CD2 4.04Å; F42-M57 HydrophobicContact CB-CE 3.81Å; F42-M57 HydrophobicContact CB-SD 4.45Å; F42-M57 HydrophobicContact CD2-CB 4.02Å; F42-M57 HydrophobicContact CD2-CE 4.48Å; F42-V58 HydrophobicContact CE2-CG2 3.87Å; F42-V58 HydrophobicContact CZ-CG2 4.41Å; F42-W61 HydrophobicContact CB-CH2 4.22Å; F42-W61 HydrophobicContact CB-CZ3 3.71Å; F42-W61 HydrophobicContact CD1-CZ3 4.41Å; F42-W61 HydrophobicContact CD2-CE3 4.08Å; F42-W61 AromaticContact CD2-CZ3 3.64Å; F42-W61 HydrophobicContact CD2-CZ3 3.64Å; F42-W61 HydrophobicContact CE2-CZ3 4.36Å; F42-W61 HydrophobicContact CG-CH2 4.18Å; F42-W61 AromaticContact CG-CZ3 3.66Å; F42-W61 HydrophobicContact CG-CZ3 3.66Å; F42-L66 HydrophobicContact CE1-CD1 4.14Å; F42-L66 HydrophobicContact CZ-CD1 4.05Å; F42-L66 HydrophobicContact CZ-CD2 4.21Å; F42-L68 HydrophobicContact CE1-CD1 3.88Å; F42-L68 HydrophobicContact CZ-CD1 4.09Å; F42-L71 HydrophobicContact CD1-CD1 3.85Å; F42-L71 HydrophobicContact CE1-CD1 3.73Å; F42-V83 HydrophobicContact CE2-CG2 4.35Å; F42-V83 HydrophobicContact CZ-CG2 3.74Å; F42-W115 AromaticContact CD1-CH2 3.79Å; F42-W115 HydrophobicContact CD1-CH2 3.79Å; F42-W115 HydrophobicContact CD1-CZ3 4.44Å; F42-W115 HydrophobicContact CE1-CH2 4.33Å |
| 43 | M | 82.3 | Confident | 82.9 | Confident | 20 Ų | 20 | 45 Ų | 45 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.6 | -69.7 | -166.9 | -69.6 | 0 | 0 | 112.2 | P39 P40 F46 S47 L71 W115 M122 | P39-M43 WeakPolarHBondContact O-CG 3.32Å; P39-M43 PolarHBondContact O-N 3.48Å; P40-M43 HydrophobicContact CB-CE 4.49Å; P40-M43 PolarHBondContact O-N 3.43Å; M43-F46 PolarHBondContact O-N 3.43Å; M43-S47 WeakPolarHBondContact O-CB 3.47Å; M43-S47 PolarHBondContact O-N 3.48Å; M43-S47 PolarHBondContact O-OG 3.43Å; M43-L71 HydrophobicContact CB-CD2 4.49Å; M43-L71 HydrophobicContact CG-CD1 4.24Å; M43-L71 HydrophobicContact CG-CD2 3.78Å; M43-L71 HydrophobicContact SD-CD2 4.12Å; M43-W115 HydrophobicContact CE-CE3 4.1Å; M43-W115 HydrophobicContact CG-CD2 4.37Å; M43-W115 HydrophobicContact CG-CE3 3.57Å; M43-W115 HydrophobicContact CG-CH2 4.39Å; M43-W115 HydrophobicContact CG-CZ3 3.58Å; M43-W115 HydrophobicContact SD-CB 4.31Å; M43-W115 HydrophobicContact SD-CD2 4.06Å; M43-W115 HydrophobicContact SD-CE3 3.52Å; M43-W115 VanDerWaalsContact SD-CE3 3.52Å; M43-W115 HydrophobicContact SD-CG 4.42Å; M43-W115 HydrophobicContact SD-CZ3 4.18Å; M43-M122 HydrophobicContact SD-CE 4.04Å |
| 44 | E | 80.5 | Confident | 83.4 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 177.5 | -171.5 | 66.9 | -174.5 | 0 | 0 | 111.3 | L20 P40 L41 F42 F46 S47 R48 | L20-E44 HydrophobicContact CD1-CG 4.44Å; P40-E44 PolarHBondContact O-N 3.45Å; P40-E44 VanDerWaalsContact O-N 3.08Å; L41-E44 PolarHBondContact O-N 3Å; F42-E44 VanDerWaalsContact C-N 3.33Å; F42-E44 PolarHBondContact O-N 3.45Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 2.77Å; E44-S47 PolarHBondContact O-N 2.96Å; E44-R48 VanDerWaalsContact O-CB 3.32Å; E44-R48 WeakPolarHBondContact O-CB 3.46Å; E44-R48 WeakPolarHBondContact O-CG 3.42Å; E44-R48 PolarHBondContact O-N 2.86Å; E44-R48 IonicContact OE1-CZ 3.1Å; E44-R48 IonicContact OE1-NE 2.63Å; E44-R48 PolarHBondContact OE1-NE 3.27Å; E44-R48 IonicContact OE1-NH2 2.73Å; E44-R48 PolarHBondContact OE1-NH2 3.33Å |
| 45 | A | 84.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L20 L41 F42 R49 R50 L54 M57 | L20-A45 HydrophobicContact CD1-CB 4.18Å; L20-A45 HydrophobicContact CD2-CB 3.64Å; L41-A45 WeakPolarHBondContact O-CB 3.29Å; L41-A45 PolarHBondContact O-N 3.32Å; F42-A45 PolarHBondContact O-N 3.47Å; A45-R49 PolarHBondContact O-N 2.88Å; A45-R49 VanDerWaalsContact O-N 3.09Å; A45-R50 HydrophobicContact CB-CB 4.32Å; A45-R50 PolarHBondContact O-N 3.09Å; A45-L54 HydrophobicContact CB-CD2 3.8Å; A45-L54 HydrophobicContact CB-CG 4.13Å; A45-M57 HydrophobicContact CB-SD 4.11Å |
| 46 | F | 85 | Confident | 84 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -50.7 | 178.2 | -164 | -83.4 | 0 | 0 | 0 | 110.9 | F42 M43 E44 R48 R49 L54 L68 L71 A79 V83 | F42-F46 HydrophobicContact CE1-CD2 4.33Å; F42-F46 VanDerWaalsContact O-CB 3.28Å; F42-F46 WeakPolarHBondContact O-CB 3.49Å; F42-F46 PolarHBondContact O-N 3.35Å; M43-F46 PolarHBondContact O-N 3.43Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 2.77Å; F46-R48 VanDerWaalsContact C-N 3.29Å; F46-R48 PolarHBondContact O-N 2.84Å; F46-R49 PolarHBondContact O-N 3.29Å; F46-L54 HydrophobicContact CB-CD2 4.05Å; F46-L54 HydrophobicContact CD2-CD1 4.2Å; F46-L54 HydrophobicContact CD2-CD2 4.23Å; F46-L68 HydrophobicContact CD2-CD1 4.3Å; F46-L68 HydrophobicContact CE2-CD1 3.93Å; F46-L71 HydrophobicContact CD1-CB 3.9Å; F46-L71 HydrophobicContact CE1-CB 3.85Å; F46-L71 VanDerWaalsContact CE1-O 3.27Å; F46-L71 WeakPolarHBondContact CE1-O 3.47Å; F46-L71 HydrophobicContact CG-CB 4.27Å; F46-L71 HydrophobicContact CG-CD1 4.45Å; F46-L71 HydrophobicContact CZ-CB 4.18Å; F46-A79 HydrophobicContact CD1-CB 4.37Å; F46-A79 HydrophobicContact CD2-CB 3.84Å; F46-A79 HydrophobicContact CE1-CB 4.23Å; F46-A79 HydrophobicContact CE2-CB 3.68Å; F46-A79 HydrophobicContact CG-CB 4.19Å; F46-A79 HydrophobicContact CZ-CB 3.89Å; F46-V83 HydrophobicContact CE2-CG2 4.45Å |
| 47 | S | 81.2 | Confident | 84.3 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.4 | -35.7 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | M43 E44 R49 | M43-S47 WeakPolarHBondContact O-CB 3.47Å; M43-S47 PolarHBondContact O-N 3.48Å; M43-S47 PolarHBondContact O-OG 3.43Å; E44-S47 PolarHBondContact O-N 2.96Å; S47-R49 VanDerWaalsContact C-N 3.34Å |
| 48 | R | 80.3 | Confident | 84.7 | Confident | 99 Ų | 99 | 34.1 Ų | 34.1 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4.3 | 176.6 | -66.5 | -169.8 | -172.7 | -121.9 | -4.1 | 114.4 | E44 F46 R50 | E44-R48 VanDerWaalsContact O-CB 3.32Å; E44-R48 WeakPolarHBondContact O-CB 3.46Å; E44-R48 WeakPolarHBondContact O-CG 3.42Å; E44-R48 PolarHBondContact O-N 2.86Å; E44-R48 IonicContact OE1-CZ 3.1Å; E44-R48 IonicContact OE1-NE 2.63Å; E44-R48 PolarHBondContact OE1-NE 3.27Å; E44-R48 IonicContact OE1-NH2 2.73Å; E44-R48 PolarHBondContact OE1-NH2 3.33Å; F46-R48 VanDerWaalsContact C-N 3.29Å; F46-R48 PolarHBondContact O-N 2.84Å; R48-R50 VanDerWaalsContact C-N 3.26Å; R48-R50 HydrophobicContact CB-CG 3.89Å; R48-R50 PolarHBondContact O-N 3.05Å |
| 49 | R | 84.4 | Confident | 84.8 | Confident | 133 Ų | 133 | 35.5 Ų | 35.5 | 50% | 0.502 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 39.3 | 179.8 | -42.6 | -171.1 | 179.1 | -168.1 | -1.6 | 113.2 | A45 F46 S47 C51 C76 E78 | A45-R49 PolarHBondContact O-N 2.88Å; A45-R49 VanDerWaalsContact O-N 3.09Å; F46-R49 PolarHBondContact O-N 3.29Å; S47-R49 VanDerWaalsContact C-N 3.34Å; R49-C51 PolarHBondContact O-N 3Å; R49-C76 WeakPolarHBondContact CD-SG 3.07Å; R49-C76 WeakPolarHBondContact CG-SG 3.33Å; R49-E78 IonicContact NH1-OE1 3.58Å; R49-E78 IonicContact NH1-OE2 3.1Å |
| 50 | R | 85.5 | Confident | 84.8 | Confident | 109 Ų | 109 | 36 Ų | 36 | 41% | 0.411 | 17% | 0.17 | S | C | . | . | trans | -82.8 | 70.8 | 179.2 | -63.4 | -69.2 | -175.5 | -173.5 | -3.1 | 109.7 | L20 A45 R48 E52 A53 L54 | L20-R50 HydrophobicContact CB-CB 4.49Å; L20-R50 HydrophobicContact CB-CG 4.02Å; L20-R50 HydrophobicContact CD1-CG 4.12Å; L20-R50 HydrophobicContact CD2-CB 4.1Å; L20-R50 HydrophobicContact CD2-CG 4.38Å; L20-R50 HydrophobicContact CG-CG 4.39Å; A45-R50 HydrophobicContact CB-CB 4.32Å; A45-R50 PolarHBondContact O-N 3.09Å; R48-R50 VanDerWaalsContact C-N 3.26Å; R48-R50 HydrophobicContact CB-CG 3.89Å; R48-R50 PolarHBondContact O-N 3.05Å; R50-E52 PolarHBondContact O-N 3.13Å; R50-A53 HydrophobicContact CB-CB 4.1Å; R50-A53 PolarHBondContact O-N 3.31Å; R50-A53 VanDerWaalsContact O-N 3.13Å; R50-L54 WeakPolarHBondContact O-CG 3.17Å; R50-L54 PolarHBondContact O-N 3.45Å | ||
| 51 | C | 86.3 | Confident | 85.1 | Confident | 33 Ų | 33 | 34.9 Ų | 34.9 | 22% | 0.223 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.2 | -47 | -170.6 | -63.5 | 0 | 0 | 0 | 0 | 114.1 | R49 A53 L54 K55 A82 | R49-C51 PolarHBondContact O-N 3Å; C51-A53 PolarHBondContact O-N 2.76Å; C51-L54 WeakPolarHBondContact O-CB 3.42Å; C51-L54 PolarHBondContact O-N 2.94Å; C51-K55 WeakPolarHBondContact O-CG 3.45Å; C51-K55 PolarHBondContact O-N 3.48Å; C51-A82 HydrophobicContact CB-CB 3.62Å |
| 52 | E | 85.8 | Confident | 85.2 | Confident | 85 Ų | 85 | 35.1 Ų | 35.1 | 40% | 0.397 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.6 | -37.4 | -179.8 | -62.1 | -50.8 | 128.6 | 0 | 0 | 112.7 | Q23 R50 K55 L56 | Q23-E52 HydrophobicContact CG-CB 4.38Å; Q23-E52 VanDerWaalsContact NE2-CB 3.31Å; Q23-E52 VanDerWaalsContact NE2-CG 3.26Å; R50-E52 PolarHBondContact O-N 3.13Å; E52-K55 PolarHBondContact O-N 3.46Å; E52-K55 IonicContact OE1-NZ 2.95Å; E52-K55 PolarHBondContact OE1-NZ 3.44Å; E52-K55 WeakPolarHBondContact OE2-CD 3.44Å; E52-K55 IonicContact OE2-NZ 2.86Å; E52-L56 WeakPolarHBondContact O-CG 3.42Å; E52-L56 PolarHBondContact O-N 3.09Å |
| 53 | A | 83.8 | Confident | 85.2 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L20 R50 C51 K55 L56 M57 | L20-A53 HydrophobicContact CD2-CB 3.23Å; R50-A53 HydrophobicContact CB-CB 4.1Å; R50-A53 PolarHBondContact O-N 3.31Å; R50-A53 VanDerWaalsContact O-N 3.13Å; C51-A53 PolarHBondContact O-N 2.76Å; A53-K55 VanDerWaalsContact C-N 3.33Å; A53-K55 PolarHBondContact O-N 3.28Å; A53-L56 PolarHBondContact O-N 3.38Å; A53-M57 WeakPolarHBondContact O-CB 3.42Å; A53-M57 WeakPolarHBondContact O-CG 3.48Å; A53-M57 PolarHBondContact O-N 3.19Å |
| 54 | L | 88.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 175.2 | -72.4 | 169.1 | 0 | 0 | 0 | 111.6 | F42 A45 F46 R50 C51 L56 M57 V58 A79 A82 | F42-L54 HydrophobicContact CD2-CD2 4.08Å; F42-L54 HydrophobicContact CE1-CD2 4.42Å; F42-L54 HydrophobicContact CE2-CD2 3.85Å; F42-L54 HydrophobicContact CG-CD2 4.48Å; F42-L54 HydrophobicContact CZ-CD2 4.04Å; A45-L54 HydrophobicContact CB-CD2 3.8Å; A45-L54 HydrophobicContact CB-CG 4.13Å; F46-L54 HydrophobicContact CB-CD2 4.05Å; F46-L54 HydrophobicContact CD2-CD1 4.2Å; F46-L54 HydrophobicContact CD2-CD2 4.23Å; R50-L54 WeakPolarHBondContact O-CG 3.17Å; R50-L54 PolarHBondContact O-N 3.45Å; C51-L54 WeakPolarHBondContact O-CB 3.42Å; C51-L54 PolarHBondContact O-N 2.94Å; L54-L56 PolarHBondContact O-N 2.94Å; L54-M57 PolarHBondContact O-N 3.3Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.48Å; L54-V58 PolarHBondContact O-N 3.34Å; L54-A79 HydrophobicContact CD1-CB 3.67Å; L54-A82 HydrophobicContact CB-CB 4.24Å; L54-A82 HydrophobicContact CD1-CB 4.39Å |
| 55 | K | 88.8 | Confident | 85.6 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.1 | -50.9 | 176.1 | -71.8 | 169.9 | -176.5 | 174.2 | 0 | 111.1 | C51 E52 A53 V58 Q59 A82 D85 | C51-K55 WeakPolarHBondContact O-CG 3.45Å; C51-K55 PolarHBondContact O-N 3.48Å; E52-K55 PolarHBondContact O-N 3.46Å; E52-K55 IonicContact OE1-NZ 2.95Å; E52-K55 PolarHBondContact OE1-NZ 3.44Å; E52-K55 WeakPolarHBondContact OE2-CD 3.44Å; E52-K55 IonicContact OE2-NZ 2.86Å; A53-K55 VanDerWaalsContact C-N 3.33Å; A53-K55 PolarHBondContact O-N 3.28Å; K55-V58 PolarHBondContact O-N 2.9Å; K55-Q59 VanDerWaalsContact O-CG 3.26Å; K55-Q59 WeakPolarHBondContact O-CG 3.46Å; K55-Q59 PolarHBondContact O-N 3.09Å; K55-A82 HydrophobicContact CG-CB 4.24Å; K55-A82 WeakPolarHBondContact CG-O 3.26Å; K55-D85 HydrophobicContact CD-CB 4.26Å; K55-D85 WeakPolarHBondContact CE-OD2 3.21Å; K55-D85 HydrophobicContact CG-CB 4.22Å; K55-D85 IonicContact NZ-OD2 3.84Å |
| 56 | L | 85.8 | Confident | 85.9 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 15% | 0.152 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 179.2 | -63.6 | -179.8 | 0 | 0 | 0 | 112.8 | A26 M27 L30 E52 A53 L54 V58 Q59 A60 | A26-L56 HydrophobicContact CB-CD1 3.9Å; M27-L56 HydrophobicContact CG-CD1 3.9Å; M27-L56 HydrophobicContact CG-CD2 3.59Å; M27-L56 HydrophobicContact CG-CG 4.29Å; M27-L56 HydrophobicContact SD-CD2 3.64Å; L30-L56 HydrophobicContact CD1-CB 3.72Å; E52-L56 WeakPolarHBondContact O-CG 3.42Å; E52-L56 PolarHBondContact O-N 3.09Å; A53-L56 PolarHBondContact O-N 3.38Å; L54-L56 PolarHBondContact O-N 2.94Å; L56-V58 VanDerWaalsContact C-N 3.34Å; L56-V58 PolarHBondContact O-N 3.36Å; L56-Q59 WeakPolarHBondContact O-CB 3.39Å; L56-Q59 PolarHBondContact O-N 3.07Å; L56-Q59 VanDerWaalsContact O-N 3.17Å; L56-A60 PolarHBondContact O-N 2.98Å |
| 57 | M | 87.5 | Confident | 86 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.4 | -34.8 | 178.5 | -71.4 | -172.5 | 79.3 | 0 | 0 | 112.5 | L30 F38 L41 F42 A45 A53 L54 A60 W61 | L30-M57 HydrophobicContact CD1-CG 4.19Å; L30-M57 HydrophobicContact CD2-CG 3.94Å; F38-M57 HydrophobicContact CD1-CE 4.16Å; L41-M57 HydrophobicContact CB-CE 3.72Å; F42-M57 HydrophobicContact CB-CE 3.81Å; F42-M57 HydrophobicContact CB-SD 4.45Å; F42-M57 HydrophobicContact CD2-CB 4.02Å; F42-M57 HydrophobicContact CD2-CE 4.48Å; A45-M57 HydrophobicContact CB-SD 4.11Å; A53-M57 WeakPolarHBondContact O-CB 3.42Å; A53-M57 WeakPolarHBondContact O-CG 3.48Å; A53-M57 PolarHBondContact O-N 3.19Å; L54-M57 PolarHBondContact O-N 3.3Å; M57-A60 CarbonylContact O-C 3.39Å; M57-W61 WeakPolarHBondContact O-CA 3.28Å; M57-W61 PolarHBondContact O-N 3.29Å |
| 58 | V | 89.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 169.8 | 170.1 | 0 | 0 | 0 | 0 | 109.4 | F42 L54 K55 L56 A60 W61 L66 V83 L87 W100 L102 | F42-V58 HydrophobicContact CE2-CG2 3.87Å; F42-V58 HydrophobicContact CZ-CG2 4.41Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.48Å; L54-V58 PolarHBondContact O-N 3.34Å; K55-V58 PolarHBondContact O-N 2.9Å; L56-V58 VanDerWaalsContact C-N 3.34Å; L56-V58 PolarHBondContact O-N 3.36Å; V58-A60 PolarHBondContact O-N 3.23Å; V58-W61 WeakPolarHBondContact O-CB 3.27Å; V58-W61 PolarHBondContact O-N 3.06Å; V58-L66 HydrophobicContact CG2-CD2 4.28Å; V58-V83 HydrophobicContact CG2-CB 4.17Å; V58-V83 HydrophobicContact CG2-CG1 3.84Å; V58-V83 HydrophobicContact CG2-CG2 4.06Å; V58-L87 HydrophobicContact CG1-CD2 3.48Å; V58-L87 VanDerWaalsContact CG1-CD2 3.48Å; V58-L87 HydrophobicContact CG1-CG 3.75Å; V58-W100 HydrophobicContact CG1-CZ3 4.45Å; V58-W100 WeakPolarHBondContact O-CZ3 3.48Å; V58-L102 HydrophobicContact CG1-CD2 4.48Å |
| 59 | Q | 85.3 | Confident | 86.2 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -36.3 | -179.9 | -70.6 | 167.9 | 17.1 | 0 | 0 | 113.3 | K55 L56 G86 A89 L90 | K55-Q59 VanDerWaalsContact O-CG 3.26Å; K55-Q59 WeakPolarHBondContact O-CG 3.46Å; K55-Q59 PolarHBondContact O-N 3.09Å; L56-Q59 WeakPolarHBondContact O-CB 3.39Å; L56-Q59 PolarHBondContact O-N 3.07Å; L56-Q59 VanDerWaalsContact O-N 3.17Å; Q59-G86 WeakPolarHBondContact CG-O 3.27Å; Q59-A89 VanDerWaalsContact NE2-CB 3.32Å; Q59-L90 HydrophobicContact CB-CD1 4.28Å; Q59-L90 HydrophobicContact CB-CD2 4.09Å; Q59-L90 HydrophobicContact CB-CG 4.28Å; Q59-L90 HydrophobicContact CG-CD1 4.13Å; Q59-L90 HydrophobicContact CG-CD2 4.02Å; Q59-L90 HydrophobicContact CG-CG 3.83Å |
| 60 | A | 86 | Confident | 85.7 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 12.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L30 F38 L56 M57 V58 P62 | L30-A60 HydrophobicContact CB-CB 4.19Å; F38-A60 HydrophobicContact CE1-CB 4.06Å; F38-A60 WeakPolarHBondContact CE1-O 3.26Å; F38-A60 HydrophobicContact CZ-CB 3.9Å; F38-A60 WeakPolarHBondContact CZ-O 3.45Å; L56-A60 PolarHBondContact O-N 2.98Å; M57-A60 CarbonylContact O-C 3.39Å; V58-A60 PolarHBondContact O-N 3.23Å; A60-P62 WeakPolarHBondContact O-CD 3.38Å |
| 61 | W | 87.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -60.4 | 121.1 | -170.5 | -170.5 | -107.3 | 0 | 0 | 0 | 111.9 | F38 F42 M57 V58 F63 R65 L66 L102 F114 W115 | F38-W61 HydrophobicContact CD1-CE3 4.12Å; F38-W61 HydrophobicContact CD1-CZ3 4.41Å; F42-W61 HydrophobicContact CB-CH2 4.22Å; F42-W61 HydrophobicContact CB-CZ3 3.71Å; F42-W61 HydrophobicContact CD1-CZ3 4.41Å; F42-W61 HydrophobicContact CD2-CE3 4.08Å; F42-W61 AromaticContact CD2-CZ3 3.64Å; F42-W61 HydrophobicContact CD2-CZ3 3.64Å; F42-W61 HydrophobicContact CE2-CZ3 4.36Å; F42-W61 HydrophobicContact CG-CH2 4.18Å; F42-W61 AromaticContact CG-CZ3 3.66Å; F42-W61 HydrophobicContact CG-CZ3 3.66Å; M57-W61 WeakPolarHBondContact O-CA 3.28Å; M57-W61 PolarHBondContact O-N 3.29Å; V58-W61 WeakPolarHBondContact O-CB 3.27Å; V58-W61 PolarHBondContact O-N 3.06Å; W61-F63 VanDerWaalsContact C-N 3.32Å; W61-F63 AromaticContact CE2-CD2 3.83Å; W61-F63 AromaticContact CZ2-CD2 3.87Å; W61-F63 HydrophobicContact CZ2-CD2 3.87Å; W61-F63 AromaticContact NE1-CD2 3.88Å; W61-F63 PolarHBondContact O-N 3.48Å; W61-R65 PolarHBondContact NE1-O 3.17Å; W61-R65 VanDerWaalsContact NE1-O 3.11Å; W61-L66 HydrophobicContact CD2-CD1 4.08Å; W61-L66 HydrophobicContact CE3-CD1 4.37Å; W61-L66 HydrophobicContact CH2-CD1 3.82Å; W61-L66 HydrophobicContact CZ2-CD1 3.47Å; W61-L66 VanDerWaalsContact CZ2-CD1 3.47Å; W61-L66 HydrophobicContact CZ3-CD1 4.25Å; W61-L102 HydrophobicContact CB-CB 4.48Å; W61-L102 HydrophobicContact CB-CD2 4.34Å; W61-L102 HydrophobicContact CG-CD2 4.42Å; W61-F114 HydrophobicContact CZ2-CE1 4.13Å; W61-F114 HydrophobicContact CZ2-CZ 4.03Å; W61-W115 AromaticContact CH2-CH2 3.91Å; W61-W115 HydrophobicContact CH2-CH2 3.91Å; W61-W115 HydrophobicContact CH2-CZ3 4.35Å; W61-W115 HydrophobicContact CZ2-CH2 4.41Å | ||
| 62 | P | 85 | Confident | 84.1 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | trans | -83.5 | -5.2 | -167.4 | 30.7 | -35.2 | 0 | 0 | 0 | 114.2 | T35 F38 A60 K101 | T35-P62 HydrophobicContact CG2-CB 3.58Å; T35-P62 HydrophobicContact CG2-CG 4.09Å; F38-P62 HydrophobicContact CB-CG 3.87Å; F38-P62 VanDerWaalsContact CD1-CD 3.45Å; F38-P62 HydrophobicContact CD1-CG 4.11Å; F38-P62 HydrophobicContact CD2-CG 3.93Å; F38-P62 HydrophobicContact CE2-CG 4.47Å; F38-P62 HydrophobicContact CG-CG 3.71Å; A60-P62 WeakPolarHBondContact O-CD 3.38Å; P62-K101 WeakPolarHBondContact O-CD 3.42Å | ||
| 63 | F | 85.9 | Confident | 83 | Confident | 50 Ų | 50 | 34.9 Ų | 34.9 | 22% | 0.219 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -110.1 | 155.9 | -176.7 | -53.2 | -78 | 0 | 0 | 0 | 112.3 | P39 W61 R65 L102 F114 | P39-F63 HydrophobicContact CG-CE2 3.72Å; P39-F63 HydrophobicContact CG-CZ 4.22Å; W61-F63 VanDerWaalsContact C-N 3.32Å; W61-F63 AromaticContact CE2-CD2 3.83Å; W61-F63 AromaticContact CZ2-CD2 3.87Å; W61-F63 HydrophobicContact CZ2-CD2 3.87Å; W61-F63 AromaticContact NE1-CD2 3.88Å; W61-F63 PolarHBondContact O-N 3.48Å; F63-R65 PolarHBondContact O-N 3.4Å; F63-L102 VanDerWaalsContact O-CA 3.32Å; F63-L102 WeakPolarHBondContact O-CA 3.38Å; F63-L102 PolarHBondContact O-N 3.37Å; F63-F114 HydrophobicContact CD2-CE2 4.34Å; F63-F114 AromaticContact CD2-CZ 3.9Å; F63-F114 HydrophobicContact CD2-CZ 3.9Å; F63-F114 HydrophobicContact CE2-CZ 4.06Å; F63-F114 HydrophobicContact CG-CE2 4.36Å; F63-F114 HydrophobicContact CG-CZ 4.35Å |
| 64 | R | 84.9 | Confident | 82 | Confident | 172 Ų | 172 | 38.4 Ų | 38.4 | 65% | 0.649 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -68.5 | -22.3 | 176.7 | -70.5 | -166.4 | 178.6 | -177.3 | 1.2 | 114.8 | K101 Q103 V104 | R64-K101 VanDerWaalsContact CA-O 3.29Å; R64-K101 WeakPolarHBondContact CA-O 3.48Å; R64-K101 HydrophobicContact CG-CB 4.5Å; R64-Q103 PolarHBondContact O-N 2.84Å; R64-V104 PolarHBondContact O-N 2.99Å |
| 65 | R | 87 | Confident | 80.6 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.5 | -176.1 | -173.4 | -178.9 | -66.7 | -161.2 | 10.9 | 109.8 | W61 F63 V104 D106 | W61-R65 PolarHBondContact NE1-O 3.17Å; W61-R65 VanDerWaalsContact NE1-O 3.11Å; F63-R65 PolarHBondContact O-N 3.4Å; R65-V104 CarbonylContact C-O 3.57Å; R65-V104 VanDerWaalsContact CA-O 3.29Å; R65-V104 WeakPolarHBondContact CA-O 3.23Å; R65-V104 HydrophobicContact CB-CB 4.33Å; R65-V104 HydrophobicContact CG-CB 4.14Å; R65-V104 HydrophobicContact CG-CG1 4.04Å; R65-D106 WeakPolarHBondContact CD-OD2 3.22Å; R65-D106 HydrophobicContact CG-CB 3.91Å; R65-D106 IonicContact CZ-OD2 3.89Å; R65-D106 IonicContact NE-OD2 2.98Å; R65-D106 IonicContact NH1-OD2 2.87Å; R65-D106 PolarHBondContact NH1-OD2 3.34Å |
| 66 | L | 89.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 100.9 | 170.8 | 176.8 | 59.7 | 0 | 0 | 0 | 108.9 | F42 V58 W61 L68 V83 L102 V104 L105 D106 W115 | F42-L66 HydrophobicContact CE1-CD1 4.14Å; F42-L66 HydrophobicContact CZ-CD1 4.05Å; F42-L66 HydrophobicContact CZ-CD2 4.21Å; V58-L66 HydrophobicContact CG2-CD2 4.28Å; W61-L66 HydrophobicContact CD2-CD1 4.08Å; W61-L66 HydrophobicContact CE3-CD1 4.37Å; W61-L66 HydrophobicContact CH2-CD1 3.82Å; W61-L66 HydrophobicContact CZ2-CD1 3.47Å; W61-L66 VanDerWaalsContact CZ2-CD1 3.47Å; W61-L66 HydrophobicContact CZ3-CD1 4.25Å; L66-L68 PolarHBondContact O-N 2.88Å; L66-V83 HydrophobicContact CD2-CG1 3.99Å; L66-L102 HydrophobicContact CB-CD1 3.64Å; L66-L102 HydrophobicContact CB-CD2 3.99Å; L66-L102 HydrophobicContact CD2-CD2 4.19Å; L66-L102 VanDerWaalsContact N-CD1 3.34Å; L66-V104 PolarHBondContact N-O 3.2Å; L66-L105 HydrophobicContact CB-CD1 4.39Å; L66-L105 HydrophobicContact CD2-CD1 4.15Å; L66-L105 HydrophobicContact CG-CD1 4.27Å; L66-D106 PolarHBondContact O-N 3.29Å; L66-W115 HydrophobicContact CD1-CH2 4.44Å; L66-W115 HydrophobicContact CD1-CZ2 4.47Å |
| 67 | P | 87.2 | Confident | 80.1 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 96.9 | 177.8 | 29.5 | -30 | 0 | 0 | 0 | 111.4 | D106 F114 W115 | P67-D106 CarbonylContact C-O 3.59Å; P67-D106 WeakPolarHBondContact CA-O 3.35Å; P67-F114 HydrophobicContact CG-CB 4.01Å; P67-F114 HydrophobicContact CG-CD1 3.41Å; P67-F114 VanDerWaalsContact CG-CD1 3.41Å; P67-F114 HydrophobicContact CG-CE1 4Å; P67-F114 HydrophobicContact CG-CG 3.76Å; P67-W115 HydrophobicContact CG-CZ2 4.11Å; P67-W115 VanDerWaalsContact O-CE2 3.22Å; P67-W115 WeakPolarHBondContact O-CZ2 3.44Å; P67-W115 PolarHBondContact O-NE1 3.28Å |
| 68 | L | 86.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -93.8 | -19.5 | -171.4 | -161.5 | 63.4 | 0 | 0 | 0 | 113.6 | F42 F46 L66 L71 I72 F80 V83 L105 D106 L107 | F42-L68 HydrophobicContact CE1-CD1 3.88Å; F42-L68 HydrophobicContact CZ-CD1 4.09Å; F46-L68 HydrophobicContact CD2-CD1 4.3Å; F46-L68 HydrophobicContact CE2-CD1 3.93Å; L66-L68 PolarHBondContact O-N 2.88Å; L68-L71 HydrophobicContact CD1-CD1 4.25Å; L68-L71 PolarHBondContact O-N 3.39Å; L68-I72 HydrophobicContact CB-CD1 4.16Å; L68-I72 HydrophobicContact CD2-CD1 3.98Å; L68-I72 HydrophobicContact CD2-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 3.82Å; L68-I72 HydrophobicContact CG-CG1 3.99Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 3.44Å; L68-I72 VanDerWaalsContact O-N 3.12Å; L68-F80 HydrophobicContact CD2-CD2 3.61Å; L68-F80 HydrophobicContact CD2-CE2 3.85Å; L68-V83 HydrophobicContact CD1-CG2 4.33Å; L68-V83 HydrophobicContact CD2-CB 4.21Å; L68-V83 HydrophobicContact CD2-CG1 3.76Å; L68-V83 HydrophobicContact CD2-CG2 4.45Å; L68-L105 HydrophobicContact CB-CD1 4.14Å; L68-L105 HydrophobicContact CD2-CD1 4.16Å; L68-D106 PolarHBondContact N-O 2.88Å; L68-L107 HydrophobicContact CB-CD2 3.77Å; L68-L107 HydrophobicContact CD2-CD2 4.19Å; L68-L107 HydrophobicContact CG-CD2 4.5Å | ||
| 69 | R | 81 | Confident | 80 | Confident | 104 Ų | 104 | 46.3 Ų | 46.3 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.2 | -43.3 | -175 | -171.9 | 57.5 | 171.6 | 177.8 | 1 | 114.9 | L71 I72 K73 L107 Q108 | R69-L71 PolarHBondContact O-N 3.24Å; R69-I72 PolarHBondContact O-N 3.2Å; R69-K73 PolarHBondContact O-N 2.93Å; R69-L107 WeakPolarHBondContact CB-O 3.47Å; R69-L107 VanDerWaalsContact CD-O 3.31Å; R69-L107 WeakPolarHBondContact CD-O 3.49Å; R69-L107 WeakPolarHBondContact CG-O 3.43Å; R69-Q108 VanDerWaalsContact CB-O 3.22Å; R69-Q108 WeakPolarHBondContact CB-O 3.12Å |
| 70 | P | 73.7 | Confident | 80.2 | Confident | 30 Ų | 30 | 45 Ų | 45 | 20% | 0.195 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -28.2 | 178.7 | -25.1 | 38.1 | 0 | 0 | 0 | 113.3 | ||
| 71 | L | 72.2 | Confident | 80.4 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.4 | -32.7 | -179.9 | -56.4 | 178.9 | 0 | 0 | 0 | 112 | F42 M43 F46 L68 R69 K73 M74 W115 | F42-L71 HydrophobicContact CD1-CD1 3.85Å; F42-L71 HydrophobicContact CE1-CD1 3.73Å; M43-L71 HydrophobicContact CB-CD2 4.49Å; M43-L71 HydrophobicContact CG-CD1 4.24Å; M43-L71 HydrophobicContact CG-CD2 3.78Å; M43-L71 HydrophobicContact SD-CD2 4.12Å; F46-L71 HydrophobicContact CD1-CB 3.9Å; F46-L71 HydrophobicContact CE1-CB 3.85Å; F46-L71 VanDerWaalsContact CE1-O 3.27Å; F46-L71 WeakPolarHBondContact CE1-O 3.47Å; F46-L71 HydrophobicContact CG-CB 4.27Å; F46-L71 HydrophobicContact CG-CD1 4.45Å; F46-L71 HydrophobicContact CZ-CB 4.18Å; L68-L71 HydrophobicContact CD1-CD1 4.25Å; L68-L71 PolarHBondContact O-N 3.39Å; R69-L71 PolarHBondContact O-N 3.24Å; L71-K73 PolarHBondContact O-N 3.04Å; L71-M74 WeakPolarHBondContact O-CB 3.15Å; L71-M74 PolarHBondContact O-N 3.07Å; L71-W115 HydrophobicContact CD1-CH2 3.78Å; L71-W115 HydrophobicContact CD1-CZ2 3.59Å; L71-W115 HydrophobicContact CD1-CZ3 4.42Å; L71-W115 HydrophobicContact CG-CZ2 4.27Å |
| 72 | I | 65.6 | Low | 80.6 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.2 | -15.2 | 176 | -62.1 | 163.8 | 0 | 0 | 0 | 112.5 | L68 R69 M74 F80 L107 Y165 | L68-I72 HydrophobicContact CB-CD1 4.16Å; L68-I72 HydrophobicContact CD2-CD1 3.98Å; L68-I72 HydrophobicContact CD2-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 3.82Å; L68-I72 HydrophobicContact CG-CG1 3.99Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 3.44Å; L68-I72 VanDerWaalsContact O-N 3.12Å; R69-I72 PolarHBondContact O-N 3.2Å; I72-M74 PolarHBondContact O-N 3.45Å; I72-M74 VanDerWaalsContact O-N 3.13Å; I72-M74 VanDerWaalsContact O-O 3.14Å; I72-F80 HydrophobicContact CD1-CD2 3.6Å; I72-F80 HydrophobicContact CD1-CE2 3.65Å; I72-F80 HydrophobicContact CG1-CD2 4.01Å; I72-L107 HydrophobicContact CD1-CD2 3.86Å; I72-Y165 HydrophobicContact CG2-CD1 3.86Å; I72-Y165 HydrophobicContact CG2-CE1 3.81Å; I72-Y165 HydrophobicContact CG2-CG 4.33Å |
| 73 | K | 62.7 | Low | 80.9 | Confident | 131 Ų | 131 | 47 Ų | 47 | 57% | 0.57 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.6 | 168.9 | -67.7 | -178.8 | -177.4 | 173.2 | 0 | 111.9 | R69 L71 D109 | R69-K73 PolarHBondContact O-N 2.93Å; L71-K73 PolarHBondContact O-N 3.04Å; K73-D109 IonicContact NZ-OD1 3.33Å; K73-D109 PolarHBondContact NZ-OD1 3.4Å; K73-D109 IonicContact NZ-OD2 3.89Å |
| 74 | M | 61.8 | Low | 81.2 | Confident | 91 Ų | 91 | 44.6 Ų | 44.6 | 45% | 0.448 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -87.7 | 127.8 | 166.2 | -53.4 | -177.5 | 83.6 | 0 | 0 | 109.5 | L71 I72 C76 | L71-M74 WeakPolarHBondContact O-CB 3.15Å; L71-M74 PolarHBondContact O-N 3.07Å; I72-M74 PolarHBondContact O-N 3.45Å; I72-M74 VanDerWaalsContact O-N 3.13Å; I72-M74 VanDerWaalsContact O-O 3.14Å; M74-C76 VanDerWaalsContact C-N 3.32Å; M74-C76 PolarHBondContact O-N 3.43Å |
| 75 | P | 60.6 | Low | 81.5 | Confident | 108 Ų | 108 | 39.1 Ų | 39.1 | 70% | 0.701 | 19% | 0.191 | S | C | * | . | trans | -74.5 | 81.2 | -175.4 | 30.9 | -34.8 | 0 | 0 | 0 | 111.2 | ||||
| 76 | C | 77.6 | Confident | 81.5 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | trans | -135.8 | 92.7 | 172 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | R49 M74 E78 A79 F80 Y165 | R49-C76 WeakPolarHBondContact CD-SG 3.07Å; R49-C76 WeakPolarHBondContact CG-SG 3.33Å; M74-C76 VanDerWaalsContact C-N 3.32Å; M74-C76 PolarHBondContact O-N 3.43Å; C76-E78 VanDerWaalsContact C-N 3.29Å; C76-E78 PolarHBondContact O-N 2.9Å; C76-E78 PolarHBondContact SG-OE2 2.95Å; C76-A79 HydrophobicContact CB-CB 4.16Å; C76-A79 WeakPolarHBondContact SG-CB 3.04Å; C76-A79 PolarHBondContact SG-N 3.44Å; C76-A79 VanDerWaalsContact SG-N 3.43Å; C76-F80 PolarHBondContact O-N 3.29Å; C76-Y165 PolarHBondContact N-OH 3.14Å | ||
| 77 | L | 85 | Confident | 81.5 | Confident | 37 Ų | 37 | 35.6 Ų | 35.6 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -35.2 | 177.4 | -176.7 | 64.4 | 0 | 0 | 0 | 110.9 | A79 F80 Q81 E164 Y165 | L77-A79 PolarHBondContact O-N 3.09Å; L77-F80 HydrophobicContact CD1-CD1 4.41Å; L77-F80 WeakPolarHBondContact O-CB 3.49Å; L77-F80 PolarHBondContact O-N 3.34Å; L77-Q81 HydrophobicContact CG-CG 4.31Å; L77-Q81 VanDerWaalsContact O-CG 3.28Å; L77-Q81 WeakPolarHBondContact O-CG 3.46Å; L77-Q81 PolarHBondContact O-N 3.49Å; L77-E164 HydrophobicContact CD2-CB 4.15Å; L77-Y165 HydrophobicContact CB-CE1 4.39Å; L77-Y165 HydrophobicContact CD1-CD1 3.79Å; L77-Y165 HydrophobicContact CD1-CE1 3.93Å; L77-Y165 HydrophobicContact CD1-CG 4.1Å; L77-Y165 PolarHBondContact N-OH 3.41Å |
| 78 | E | 87.4 | Confident | 81.5 | Confident | 91 Ų | 91 | 37 Ų | 37 | 43% | 0.425 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.9 | -39.9 | -177.6 | -50.6 | 91.2 | 157.6 | 0 | 0 | 111.9 | R49 C76 F80 Q81 A82 | R49-E78 IonicContact NH1-OE1 3.58Å; R49-E78 IonicContact NH1-OE2 3.1Å; C76-E78 VanDerWaalsContact C-N 3.29Å; C76-E78 PolarHBondContact O-N 2.9Å; C76-E78 PolarHBondContact SG-OE2 2.95Å; E78-F80 VanDerWaalsContact C-N 3.35Å; E78-Q81 PolarHBondContact O-N 3.43Å; E78-A82 WeakPolarHBondContact O-CB 3.13Å; E78-A82 PolarHBondContact O-N 3.43Å |
| 79 | A | 87.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F46 L54 C76 L77 A82 V83 | F46-A79 HydrophobicContact CD1-CB 4.37Å; F46-A79 HydrophobicContact CD2-CB 3.84Å; F46-A79 HydrophobicContact CE1-CB 4.23Å; F46-A79 HydrophobicContact CE2-CB 3.68Å; F46-A79 HydrophobicContact CG-CB 4.19Å; F46-A79 HydrophobicContact CZ-CB 3.89Å; L54-A79 HydrophobicContact CD1-CB 3.67Å; C76-A79 HydrophobicContact CB-CB 4.16Å; C76-A79 WeakPolarHBondContact SG-CB 3.04Å; C76-A79 PolarHBondContact SG-N 3.44Å; C76-A79 VanDerWaalsContact SG-N 3.43Å; L77-A79 PolarHBondContact O-N 3.09Å; A79-A82 PolarHBondContact O-N 3.06Å; A79-V83 WeakPolarHBondContact O-CG2 3.24Å; A79-V83 PolarHBondContact O-N 3.46Å |
| 80 | F | 89.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 174.4 | 178.5 | -107.5 | 0 | 0 | 0 | 111.9 | L68 I72 C76 L77 E78 A82 V83 L84 L107 Y165 Y168 L169 | L68-F80 HydrophobicContact CD2-CD2 3.61Å; L68-F80 HydrophobicContact CD2-CE2 3.85Å; I72-F80 HydrophobicContact CD1-CD2 3.6Å; I72-F80 HydrophobicContact CD1-CE2 3.65Å; I72-F80 HydrophobicContact CG1-CD2 4.01Å; C76-F80 PolarHBondContact O-N 3.29Å; L77-F80 HydrophobicContact CD1-CD1 4.41Å; L77-F80 WeakPolarHBondContact O-CB 3.49Å; L77-F80 PolarHBondContact O-N 3.34Å; E78-F80 VanDerWaalsContact C-N 3.35Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 3.11Å; F80-V83 PolarHBondContact O-N 2.96Å; F80-L84 HydrophobicContact CD1-CD1 4.07Å; F80-L84 HydrophobicContact CE1-CD1 3.45Å; F80-L84 VanDerWaalsContact CE1-CD1 3.45Å; F80-L84 HydrophobicContact CE1-CG 4.31Å; F80-L84 HydrophobicContact CE2-CD1 4.36Å; F80-L84 HydrophobicContact CE2-CG 4.5Å; F80-L84 HydrophobicContact CZ-CD1 3.61Å; F80-L84 HydrophobicContact CZ-CG 4.22Å; F80-L84 PolarHBondContact O-N 3.02Å; F80-L84 VanDerWaalsContact O-N 3.1Å; F80-L107 HydrophobicContact CE2-CD1 4.45Å; F80-L107 HydrophobicContact CE2-CD2 4.16Å; F80-L107 HydrophobicContact CZ-CD1 4.46Å; F80-Y165 HydrophobicContact CB-CD1 4.04Å; F80-Y165 HydrophobicContact CB-CE1 3.86Å; F80-Y165 AromaticContact CD1-CD1 3.74Å; F80-Y165 HydrophobicContact CD1-CD1 3.74Å; F80-Y165 HydrophobicContact CD1-CE1 4.41Å; F80-Y165 HydrophobicContact CD2-CD1 4.48Å; F80-Y165 HydrophobicContact CE1-CD1 4.29Å; F80-Y165 AromaticContact CG-CD1 3.83Å; F80-Y165 HydrophobicContact CG-CD1 3.83Å; F80-Y165 HydrophobicContact CG-CE1 4.18Å; F80-Y168 HydrophobicContact CD1-CD1 4.4Å; F80-Y168 HydrophobicContact CE1-CD1 4.19Å; F80-L169 HydrophobicContact CE1-CB 4.4Å; F80-L169 HydrophobicContact CZ-CB 4.29Å; F80-L169 HydrophobicContact CZ-CD1 4.27Å |
| 81 | Q | 91.2 | Very high | 81.7 | Confident | 58 Ų | 58 | 34.2 Ų | 34.2 | 27% | 0.271 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.3 | -69.8 | 175.8 | -17.2 | 0 | 0 | 111 | L77 E78 V83 L84 D85 Y168 | L77-Q81 HydrophobicContact CG-CG 4.31Å; L77-Q81 VanDerWaalsContact O-CG 3.28Å; L77-Q81 WeakPolarHBondContact O-CG 3.46Å; L77-Q81 PolarHBondContact O-N 3.49Å; E78-Q81 PolarHBondContact O-N 3.43Å; Q81-V83 VanDerWaalsContact C-N 3.26Å; Q81-V83 PolarHBondContact O-N 2.79Å; Q81-L84 CarbonylContact O-C 3.56Å; Q81-L84 PolarHBondContact O-N 3.27Å; Q81-D85 VanDerWaalsContact O-CG 3.26Å; Q81-D85 PolarHBondContact O-N 3.21Å; Q81-Y168 HydrophobicContact CB-CE1 4.28Å; Q81-Y168 HydrophobicContact CG-CD1 4.07Å; Q81-Y168 HydrophobicContact CG-CD2 4.02Å; Q81-Y168 HydrophobicContact CG-CE1 3.8Å; Q81-Y168 HydrophobicContact CG-CE2 3.73Å; Q81-Y168 HydrophobicContact CG-CG 4.18Å |
| 82 | A | 91.1 | Very high | 81.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -36.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | C51 L54 K55 E78 A79 F80 G86 | C51-A82 HydrophobicContact CB-CB 3.62Å; L54-A82 HydrophobicContact CB-CB 4.24Å; L54-A82 HydrophobicContact CD1-CB 4.39Å; K55-A82 HydrophobicContact CG-CB 4.24Å; K55-A82 WeakPolarHBondContact CG-O 3.26Å; E78-A82 WeakPolarHBondContact O-CB 3.13Å; E78-A82 PolarHBondContact O-N 3.43Å; A79-A82 PolarHBondContact O-N 3.06Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 3.11Å; A82-G86 PolarHBondContact O-N 2.98Å |
| 83 | V | 91.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 174.2 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | F42 F46 V58 L66 L68 A79 F80 Q81 G86 L87 | F42-V83 HydrophobicContact CE2-CG2 4.35Å; F42-V83 HydrophobicContact CZ-CG2 3.74Å; F46-V83 HydrophobicContact CE2-CG2 4.45Å; V58-V83 HydrophobicContact CG2-CB 4.17Å; V58-V83 HydrophobicContact CG2-CG1 3.84Å; V58-V83 HydrophobicContact CG2-CG2 4.06Å; L66-V83 HydrophobicContact CD2-CG1 3.99Å; L68-V83 HydrophobicContact CD1-CG2 4.33Å; L68-V83 HydrophobicContact CD2-CB 4.21Å; L68-V83 HydrophobicContact CD2-CG1 3.76Å; L68-V83 HydrophobicContact CD2-CG2 4.45Å; A79-V83 WeakPolarHBondContact O-CG2 3.24Å; A79-V83 PolarHBondContact O-N 3.46Å; F80-V83 PolarHBondContact O-N 2.96Å; Q81-V83 VanDerWaalsContact C-N 3.26Å; Q81-V83 PolarHBondContact O-N 2.79Å; V83-G86 PolarHBondContact O-N 3.11Å; V83-L87 WeakPolarHBondContact O-CG 3.2Å; V83-L87 PolarHBondContact O-N 3.01Å; V83-L87 VanDerWaalsContact O-N 3.1Å |
| 84 | L | 92 | Very high | 81.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -36.5 | 178.1 | -64.6 | -177.3 | 0 | 0 | 0 | 112.7 | F80 Q81 G86 L87 D88 L105 Y168 L169 W172 | F80-L84 HydrophobicContact CD1-CD1 4.07Å; F80-L84 HydrophobicContact CE1-CD1 3.45Å; F80-L84 VanDerWaalsContact CE1-CD1 3.45Å; F80-L84 HydrophobicContact CE1-CG 4.31Å; F80-L84 HydrophobicContact CE2-CD1 4.36Å; F80-L84 HydrophobicContact CE2-CG 4.5Å; F80-L84 HydrophobicContact CZ-CD1 3.61Å; F80-L84 HydrophobicContact CZ-CG 4.22Å; F80-L84 PolarHBondContact O-N 3.02Å; F80-L84 VanDerWaalsContact O-N 3.1Å; Q81-L84 CarbonylContact O-C 3.56Å; Q81-L84 PolarHBondContact O-N 3.27Å; L84-G86 VanDerWaalsContact C-N 3.34Å; L84-L87 HydrophobicContact CD2-CD1 4.01Å; L84-L87 WeakPolarHBondContact O-CB 3.22Å; L84-L87 PolarHBondContact O-N 2.73Å; L84-D88 PolarHBondContact O-N 3.05Å; L84-L105 HydrophobicContact CD2-CD2 3.67Å; L84-Y168 HydrophobicContact CB-CE1 4.15Å; L84-Y168 HydrophobicContact CD1-CD1 3.57Å; L84-Y168 HydrophobicContact CD1-CE1 3.47Å; L84-Y168 VanDerWaalsContact CD1-CE1 3.47Å; L84-Y168 HydrophobicContact CG-CE1 4.38Å; L84-L169 HydrophobicContact CD1-CD1 4.29Å; L84-W172 HydrophobicContact CB-CD2 4.4Å; L84-W172 HydrophobicContact CB-CG 4.45Å; L84-W172 HydrophobicContact CD1-CB 4.46Å; L84-W172 HydrophobicContact CD1-CD2 4.35Å; L84-W172 HydrophobicContact CD1-CG 4.3Å; L84-W172 HydrophobicContact CD2-CD2 4.25Å; L84-W172 HydrophobicContact CD2-CE3 4.11Å; L84-W172 HydrophobicContact CD2-CH2 4.2Å; L84-W172 HydrophobicContact CD2-CZ2 4.34Å; L84-W172 HydrophobicContact CD2-CZ3 4.06Å; L84-W172 PolarHBondContact O-NE1 3.12Å |
| 85 | D | 89.8 | Confident | 81.3 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 172.7 | -68.5 | -16.7 | 0 | 0 | 0 | 111.4 | K55 Q81 L87 D88 A89 Y168 | K55-D85 HydrophobicContact CD-CB 4.26Å; K55-D85 WeakPolarHBondContact CE-OD2 3.21Å; K55-D85 HydrophobicContact CG-CB 4.22Å; K55-D85 IonicContact NZ-OD2 3.84Å; Q81-D85 VanDerWaalsContact O-CG 3.26Å; Q81-D85 PolarHBondContact O-N 3.21Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 3.13Å; D85-D88 WeakPolarHBondContact O-CB 3.45Å; D85-D88 PolarHBondContact O-N 3.24Å; D85-A89 PolarHBondContact O-N 3.16Å; D85-Y168 PolarHBondContact OD1-OH 3Å |
| 86 | G | 88.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q59 A82 V83 L84 | Q59-G86 WeakPolarHBondContact CG-O 3.27Å; A82-G86 PolarHBondContact O-N 2.98Å; V83-G86 PolarHBondContact O-N 3.11Å; L84-G86 VanDerWaalsContact C-N 3.34Å |
| 87 | L | 89.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 172 | -64.9 | 172.9 | 0 | 0 | 0 | 111.5 | V58 V83 L84 D85 L90 L91 W100 L102 L105 L149 W172 | V58-L87 HydrophobicContact CG1-CD2 3.48Å; V58-L87 VanDerWaalsContact CG1-CD2 3.48Å; V58-L87 HydrophobicContact CG1-CG 3.75Å; V83-L87 WeakPolarHBondContact O-CG 3.2Å; V83-L87 PolarHBondContact O-N 3.01Å; V83-L87 VanDerWaalsContact O-N 3.1Å; L84-L87 HydrophobicContact CD2-CD1 4.01Å; L84-L87 WeakPolarHBondContact O-CB 3.22Å; L84-L87 PolarHBondContact O-N 2.73Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 3.13Å; L87-L90 WeakPolarHBondContact O-CB 3.45Å; L87-L90 PolarHBondContact O-N 3.1Å; L87-L90 VanDerWaalsContact O-N 3.16Å; L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 3.27Å; L87-W100 HydrophobicContact CD2-CH2 3.57Å; L87-W100 HydrophobicContact CD2-CZ3 4.28Å; L87-L102 HydrophobicContact CD2-CD2 3.64Å; L87-L105 HydrophobicContact CD1-CD2 3.96Å; L87-L149 HydrophobicContact CB-CD2 4.46Å; L87-L149 HydrophobicContact CD1-CD2 3.92Å; L87-L149 HydrophobicContact CD2-CD2 4.09Å; L87-L149 HydrophobicContact CG-CD2 4.39Å; L87-W172 HydrophobicContact CB-CZ2 4.03Å; L87-W172 HydrophobicContact CD1-CH2 4.1Å; L87-W172 HydrophobicContact CD1-CZ2 4.32Å |
| 88 | D | 86.9 | Confident | 79.8 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | -178.4 | -169.2 | 42.7 | 0 | 0 | 0 | 112.8 | L84 D85 L90 L91 T92 R176 | L84-D88 PolarHBondContact O-N 3.05Å; D85-D88 WeakPolarHBondContact O-CB 3.45Å; D85-D88 PolarHBondContact O-N 3.24Å; D88-L90 PolarHBondContact O-N 3.29Å; D88-L91 PolarHBondContact O-N 2.95Å; D88-T92 WeakPolarHBondContact O-CB 3.49Å; D88-T92 WeakPolarHBondContact O-CG2 3.22Å; D88-T92 PolarHBondContact O-N 2.81Å; D88-T92 PolarHBondContact O-OG1 3.48Å; D88-R176 IonicContact OD1-CZ 2.57Å; D88-R176 VanDerWaalsContact OD1-CZ 3.23Å; D88-R176 IonicContact OD1-NE 2.6Å; D88-R176 PolarHBondContact OD1-NE 3.19Å; D88-R176 IonicContact OD1-NH2 3.13Å; D88-R176 PolarHBondContact OD1-NH2 3.42Å; D88-R176 IonicContact OD2-CZ 2.76Å; D88-R176 IonicContact OD2-NE 3.83Å; D88-R176 IonicContact OD2-NH2 2.99Å; D88-R176 PolarHBondContact OD2-NH2 3.25Å |
| 89 | A | 84.5 | Confident | 78.8 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.3 | -37.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q59 D85 T92 Q93 | Q59-A89 VanDerWaalsContact NE2-CB 3.32Å; D85-A89 PolarHBondContact O-N 3.16Å; A89-T92 PolarHBondContact O-OG1 3.1Å; A89-T92 VanDerWaalsContact O-OG1 3.11Å; A89-Q93 VanDerWaalsContact O-CB 3.22Å; A89-Q93 WeakPolarHBondContact O-CB 3.11Å; A89-Q93 WeakPolarHBondContact O-CG 3.46Å; A89-Q93 PolarHBondContact O-N 3.05Å; A89-Q93 VanDerWaalsContact O-N 3.08Å |
| 90 | L | 79.8 | Confident | 78.2 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.9 | -38.3 | 178.8 | -67.2 | 169.1 | 0 | 0 | 0 | 113.7 | Q59 L87 D88 T92 P97 W100 | Q59-L90 HydrophobicContact CB-CD1 4.28Å; Q59-L90 HydrophobicContact CB-CD2 4.09Å; Q59-L90 HydrophobicContact CB-CG 4.28Å; Q59-L90 HydrophobicContact CG-CD1 4.13Å; Q59-L90 HydrophobicContact CG-CD2 4.02Å; Q59-L90 HydrophobicContact CG-CG 3.83Å; L87-L90 WeakPolarHBondContact O-CB 3.45Å; L87-L90 PolarHBondContact O-N 3.1Å; L87-L90 VanDerWaalsContact O-N 3.16Å; D88-L90 PolarHBondContact O-N 3.29Å; L90-T92 PolarHBondContact O-N 3.19Å; L90-P97 VanDerWaalsContact CD2-CD 3.47Å; L90-P97 HydrophobicContact CD2-CG 3.88Å; L90-W100 HydrophobicContact CD1-CD2 3.57Å; L90-W100 HydrophobicContact CD1-CE3 3.11Å; L90-W100 HydrophobicContact CD1-CH2 3.24Å; L90-W100 HydrophobicContact CD1-CZ2 3.73Å; L90-W100 HydrophobicContact CD1-CZ3 2.92Å; L90-W100 HydrophobicContact CG-CE3 4.44Å; L90-W100 HydrophobicContact CG-CZ3 4.41Å |
| 91 | L | 79.9 | Confident | 77.8 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -28.2 | 178 | -68.6 | 170 | 0 | 0 | 0 | 111.3 | L87 D88 L149 W172 L179 L180 | L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 3.27Å; D88-L91 PolarHBondContact O-N 2.95Å; L91-L149 HydrophobicContact CD2-CB 4.37Å; L91-W172 HydrophobicContact CD1-CZ2 4.23Å; L91-L179 HydrophobicContact CB-CD1 4.33Å; L91-L180 HydrophobicContact CD1-CD2 3.75Å |
| 92 | T | 78 | Confident | 77.5 | Confident | 96 Ų | 96 | 56.2 Ų | 56.2 | 59% | 0.589 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -90.7 | -31.5 | -179.7 | 51 | 0 | 0 | 0 | 0 | 114.3 | D88 A89 L90 G94 | D88-T92 WeakPolarHBondContact O-CB 3.49Å; D88-T92 WeakPolarHBondContact O-CG2 3.22Å; D88-T92 PolarHBondContact O-N 2.81Å; D88-T92 PolarHBondContact O-OG1 3.48Å; A89-T92 PolarHBondContact O-OG1 3.1Å; A89-T92 VanDerWaalsContact O-OG1 3.11Å; L90-T92 PolarHBondContact O-N 3.19Å; T92-G94 PolarHBondContact O-N 3.18Å |
| 93 | Q | 65.8 | Low | 77.2 | Confident | 121 Ų | 121 | 59.9 Ų | 59.9 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -78.7 | -13.4 | -170.1 | -79.2 | 176 | 6.4 | 0 | 0 | 115.7 | A89 V95 | A89-Q93 VanDerWaalsContact O-CB 3.22Å; A89-Q93 WeakPolarHBondContact O-CB 3.11Å; A89-Q93 WeakPolarHBondContact O-CG 3.46Å; A89-Q93 PolarHBondContact O-N 3.05Å; A89-Q93 VanDerWaalsContact O-N 3.08Å; Q93-V95 PolarHBondContact O-N 2.92Å |
| 94 | G | 54.2 | Low | 77.1 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 73% | 0.732 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 65.6 | -22.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T92 | T92-G94 PolarHBondContact O-N 3.18Š|
| 95 | V | 56 | Low | 77.1 | Confident | 117 Ų | 117 | 61.1 Ų | 61.1 | 71% | 0.709 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -103.6 | 101 | 174.5 | -176 | 0 | 0 | 0 | 0 | 107.8 | Q93 | Q93-V95 PolarHBondContact O-N 2.92Š|
| 96 | C | 60.2 | Low | 77 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 52% | 0.52 | 31% | 0.308 | S | S | . | . | trans | -72.4 | 132.8 | 175.4 | -70.8 | 0 | 0 | 0 | 0 | 110.2 | W100 | C96-W100 HydrophobicContact CB-CB 4.36Š| ||
| 97 | P | 65.6 | Low | 77 | Confident | 38 Ų | 38 | 59 Ų | 59 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | trans | -53.7 | 147.7 | 168 | -23.4 | 32.4 | 0 | 0 | 0 | 110.8 | L90 R99 W100 | L90-P97 VanDerWaalsContact CD2-CD 3.47Å; L90-P97 HydrophobicContact CD2-CG 3.88Å; P97-R99 PolarHBondContact O-N 3.49Å; P97-W100 WeakPolarHBondContact O-CB 3.28Å; P97-W100 PolarHBondContact O-N 3.49Å | ||
| 98 | R | 66.2 | Low | 76.7 | Confident | 243 Ų | 243 | 59.3 Ų | 59.3 | 92% | 0.917 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -28.1 | -176.8 | -74.4 | -176.5 | 174.6 | -175.2 | -0.1 | 113.6 | ||
| 99 | R | 67.4 | Low | 75.9 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -6.7 | -177.8 | -78.8 | -173.1 | 169.1 | -160.7 | -1.8 | 115.2 | L30 E31 L33 P97 K101 | L30-R99 PolarHBondContact O-NH1 3.12Å; E31-R99 PolarHBondContact O-NE 2.99Å; E31-R99 PolarHBondContact O-NH1 3.33Å; E31-R99 PolarHBondContact O-NH2 2.8Å; L33-R99 PolarHBondContact O-NH1 3.41Å; L33-R99 PolarHBondContact O-NH2 3.22Å; P97-R99 PolarHBondContact O-N 3.49Å; R99-K101 PolarHBondContact O-N 3.31Å; R99-K101 VanDerWaalsContact O-N 3.11Å |
| 100 | W | 75.2 | Confident | 74.6 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | trans | -64.3 | 115.9 | -179.2 | 173.6 | -104.7 | 0 | 0 | 0 | 111 | V58 L87 L90 C96 P97 L102 L149 | V58-W100 HydrophobicContact CG1-CZ3 4.45Å; V58-W100 WeakPolarHBondContact O-CZ3 3.48Å; L87-W100 HydrophobicContact CD2-CH2 3.57Å; L87-W100 HydrophobicContact CD2-CZ3 4.28Å; L90-W100 HydrophobicContact CD1-CD2 3.57Å; L90-W100 HydrophobicContact CD1-CE3 3.11Å; L90-W100 HydrophobicContact CD1-CH2 3.24Å; L90-W100 HydrophobicContact CD1-CZ2 3.73Å; L90-W100 HydrophobicContact CD1-CZ3 2.92Å; L90-W100 HydrophobicContact CG-CE3 4.44Å; L90-W100 HydrophobicContact CG-CZ3 4.41Å; C96-W100 HydrophobicContact CB-CB 4.36Å; P97-W100 WeakPolarHBondContact O-CB 3.28Å; P97-W100 PolarHBondContact O-N 3.49Å; W100-L102 HydrophobicContact CD2-CB 4.26Å; W100-L102 VanDerWaalsContact CE2-O 3.26Å; W100-L102 HydrophobicContact CE3-CB 3.86Å; W100-L102 HydrophobicContact CH2-CB 3.43Å; W100-L102 VanDerWaalsContact CH2-CB 3.43Å; W100-L102 HydrophobicContact CH2-CD2 3.59Å; W100-L102 HydrophobicContact CH2-CG 3.68Å; W100-L102 HydrophobicContact CZ2-CB 3.81Å; W100-L102 HydrophobicContact CZ2-CG 4.26Å; W100-L102 WeakPolarHBondContact CZ2-O 3.29Å; W100-L102 HydrophobicContact CZ3-CB 3.43Å; W100-L102 VanDerWaalsContact CZ3-CB 3.43Å; W100-L102 HydrophobicContact CZ3-CD2 3.67Å; W100-L102 HydrophobicContact CZ3-CG 3.99Å; W100-L102 PolarHBondContact NE1-O 3.11Å; W100-L149 HydrophobicContact CZ2-CD1 4.46Å | ||
| 101 | K | 79.6 | Confident | 73.3 | Confident | 123 Ų | 123 | 66 Ų | 66 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | trans | -124.6 | -7.9 | 176.4 | -69.3 | 179.9 | -173.6 | 170.3 | 0 | 113.1 | P62 R64 R99 Q103 | P62-K101 WeakPolarHBondContact O-CD 3.42Å; R64-K101 VanDerWaalsContact CA-O 3.29Å; R64-K101 WeakPolarHBondContact CA-O 3.48Å; R64-K101 HydrophobicContact CG-CB 4.5Å; R99-K101 PolarHBondContact O-N 3.31Å; R99-K101 VanDerWaalsContact O-N 3.11Å; K101-Q103 PolarHBondContact O-N 3.08Å | ||
| 102 | L | 84.7 | Confident | 72.2 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | trans | -68.7 | 124.2 | -171.8 | 177.9 | 60.8 | 0 | 0 | 0 | 110.8 | V58 W61 F63 L66 L87 W100 V104 L149 | V58-L102 HydrophobicContact CG1-CD2 4.48Å; W61-L102 HydrophobicContact CB-CB 4.48Å; W61-L102 HydrophobicContact CB-CD2 4.34Å; W61-L102 HydrophobicContact CG-CD2 4.42Å; F63-L102 VanDerWaalsContact O-CA 3.32Å; F63-L102 WeakPolarHBondContact O-CA 3.38Å; F63-L102 PolarHBondContact O-N 3.37Å; L66-L102 HydrophobicContact CB-CD1 3.64Å; L66-L102 HydrophobicContact CB-CD2 3.99Å; L66-L102 HydrophobicContact CD2-CD2 4.19Å; L66-L102 VanDerWaalsContact N-CD1 3.34Å; L87-L102 HydrophobicContact CD2-CD2 3.64Å; W100-L102 HydrophobicContact CD2-CB 4.26Å; W100-L102 VanDerWaalsContact CE2-O 3.26Å; W100-L102 HydrophobicContact CE3-CB 3.86Å; W100-L102 HydrophobicContact CH2-CB 3.43Å; W100-L102 VanDerWaalsContact CH2-CB 3.43Å; W100-L102 HydrophobicContact CH2-CD2 3.59Å; W100-L102 HydrophobicContact CH2-CG 3.68Å; W100-L102 HydrophobicContact CZ2-CB 3.81Å; W100-L102 HydrophobicContact CZ2-CG 4.26Å; W100-L102 WeakPolarHBondContact CZ2-O 3.29Å; W100-L102 HydrophobicContact CZ3-CB 3.43Å; W100-L102 VanDerWaalsContact CZ3-CB 3.43Å; W100-L102 HydrophobicContact CZ3-CD2 3.67Å; W100-L102 HydrophobicContact CZ3-CG 3.99Å; W100-L102 PolarHBondContact NE1-O 3.11Å; L102-V104 VanDerWaalsContact CD1-O 3.23Å; L102-V104 WeakPolarHBondContact CD1-O 3.29Å; L102-L149 HydrophobicContact CG-CD1 4.46Å | ||
| 103 | Q | 86.7 | Confident | 71.4 | Confident | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | trans | -123.8 | -19 | -179.6 | -70.3 | 175.3 | -18.1 | 0 | 0 | 111.5 | R64 K101 L149 T150 | R64-Q103 PolarHBondContact O-N 2.84Å; K101-Q103 PolarHBondContact O-N 3.08Å; Q103-L149 VanDerWaalsContact C-CD1 3.49Å; Q103-L149 WeakPolarHBondContact O-CD1 3.32Å; Q103-T150 PolarHBondContact O-N 2.78Å | ||
| 104 | V | 89.4 | Confident | 71.7 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 116.6 | -172.4 | -178.5 | 0 | 0 | 0 | 0 | 111 | R64 R65 L66 L102 D106 T150 F152 | R64-V104 PolarHBondContact O-N 2.99Å; R65-V104 CarbonylContact C-O 3.57Å; R65-V104 VanDerWaalsContact CA-O 3.29Å; R65-V104 WeakPolarHBondContact CA-O 3.23Å; R65-V104 HydrophobicContact CB-CB 4.33Å; R65-V104 HydrophobicContact CG-CB 4.14Å; R65-V104 HydrophobicContact CG-CG1 4.04Å; L66-V104 PolarHBondContact N-O 3.2Å; L102-V104 VanDerWaalsContact CD1-O 3.23Å; L102-V104 WeakPolarHBondContact CD1-O 3.29Å; V104-D106 HydrophobicContact CG1-CB 4.46Å; V104-T150 CarbonylContact C-O 3.57Å; V104-T150 VanDerWaalsContact CA-O 3.29Å; V104-T150 WeakPolarHBondContact CA-O 3.43Å; V104-F152 HydrophobicContact CG1-CD2 3.42Å; V104-F152 VanDerWaalsContact CG1-CD2 3.42Å; V104-F152 HydrophobicContact CG1-CE2 3.75Å |
| 105 | L | 90.9 | Very high | 72.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 116.5 | 162.7 | 179.2 | 64.9 | 0 | 0 | 0 | 108.3 | L66 L68 L84 L87 L107 T150 V151 F152 | L66-L105 HydrophobicContact CB-CD1 4.39Å; L66-L105 HydrophobicContact CD2-CD1 4.15Å; L66-L105 HydrophobicContact CG-CD1 4.27Å; L68-L105 HydrophobicContact CB-CD1 4.14Å; L68-L105 HydrophobicContact CD2-CD1 4.16Å; L84-L105 HydrophobicContact CD2-CD2 3.67Å; L87-L105 HydrophobicContact CD1-CD2 3.96Å; L105-L107 HydrophobicContact CD1-CD2 4.14Å; L105-L107 HydrophobicContact CD2-CD1 4.42Å; L105-L107 HydrophobicContact CD2-CD2 4.2Å; L105-L107 HydrophobicContact CD2-CG 4.41Å; L105-L107 HydrophobicContact CG-CD2 3.95Å; L105-L107 HydrophobicContact CG-CG 4.19Å; L105-T150 PolarHBondContact N-O 3.3Å; L105-V151 HydrophobicContact CB-CG2 4.38Å; L105-V151 HydrophobicContact CD2-CG1 4.23Å; L105-V151 HydrophobicContact CD2-CG2 4.49Å; L105-V151 WeakPolarHBondContact O-CA 3.06Å; L105-F152 PolarHBondContact O-N 2.85Å |
| 106 | D | 88.8 | Confident | 73.2 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.011 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 106.7 | -176.2 | -164.4 | -14.6 | 0 | 0 | 0 | 110.7 | R65 L66 P67 L68 V104 Q108 | R65-D106 WeakPolarHBondContact CD-OD2 3.22Å; R65-D106 HydrophobicContact CG-CB 3.91Å; R65-D106 IonicContact CZ-OD2 3.89Å; R65-D106 IonicContact NE-OD2 2.98Å; R65-D106 IonicContact NH1-OD2 2.87Å; R65-D106 PolarHBondContact NH1-OD2 3.34Å; L66-D106 PolarHBondContact O-N 3.29Å; P67-D106 CarbonylContact C-O 3.59Å; P67-D106 WeakPolarHBondContact CA-O 3.35Å; L68-D106 PolarHBondContact N-O 2.88Å; V104-D106 HydrophobicContact CG1-CB 4.46Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.42Å; D106-Q108 PolarHBondContact OD1-N 3.38Å |
| 107 | L | 88.4 | Confident | 73.5 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | trans | -103.3 | 11.5 | 177.5 | -48.8 | 178.7 | 0 | 0 | 0 | 111.7 | L68 R69 I72 F80 L105 V151 F152 L169 | L68-L107 HydrophobicContact CB-CD2 3.77Å; L68-L107 HydrophobicContact CD2-CD2 4.19Å; L68-L107 HydrophobicContact CG-CD2 4.5Å; R69-L107 WeakPolarHBondContact CB-O 3.47Å; R69-L107 VanDerWaalsContact CD-O 3.31Å; R69-L107 WeakPolarHBondContact CD-O 3.49Å; R69-L107 WeakPolarHBondContact CG-O 3.43Å; I72-L107 HydrophobicContact CD1-CD2 3.86Å; F80-L107 HydrophobicContact CE2-CD1 4.45Å; F80-L107 HydrophobicContact CE2-CD2 4.16Å; F80-L107 HydrophobicContact CZ-CD1 4.46Å; L105-L107 HydrophobicContact CD1-CD2 4.14Å; L105-L107 HydrophobicContact CD2-CD1 4.42Å; L105-L107 HydrophobicContact CD2-CD2 4.2Å; L105-L107 HydrophobicContact CD2-CG 4.41Å; L105-L107 HydrophobicContact CG-CD2 3.95Å; L105-L107 HydrophobicContact CG-CG 4.19Å; L107-V151 HydrophobicContact CD1-CG1 4.01Å; L107-V151 HydrophobicContact CG-CG1 4.44Å; L107-F152 WeakPolarHBondContact CA-O 3.48Å; L107-F152 WeakPolarHBondContact CB-O 3.33Å; L107-F152 PolarHBondContact N-O 3.02Å; L107-L169 HydrophobicContact CD1-CD1 4.04Å; L107-L169 HydrophobicContact CD1-CD2 3.52Å; L107-L169 HydrophobicContact CD1-CG 4.42Å | ||
| 108 | Q | 82.5 | Confident | 73.5 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -82.6 | 155 | 176.5 | -56.2 | -177 | -14.9 | 0 | 0 | 110.7 | R69 D106 V110 F152 V153 E154 | R69-Q108 VanDerWaalsContact CB-O 3.22Å; R69-Q108 WeakPolarHBondContact CB-O 3.12Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.42Å; D106-Q108 PolarHBondContact OD1-N 3.38Å; Q108-V110 HydrophobicContact CB-CB 4.47Å; Q108-V110 HydrophobicContact CB-CG2 3.96Å; Q108-V110 PolarHBondContact O-N 3.37Å; Q108-F152 HydrophobicContact CG-CB 3.89Å; Q108-V153 PolarHBondContact NE2-O 2.93Å; Q108-E154 HydrophobicContact CB-CG 4.3Å; Q108-E154 HydrophobicContact CG-CG 4.12Å |
| 109 | D | 71 | Confident | 73 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -78.7 | 52.8 | 174.9 | -155.9 | 27.9 | 0 | 0 | 0 | 110.2 | K73 | K73-D109 IonicContact NZ-OD1 3.33Å; K73-D109 PolarHBondContact NZ-OD1 3.4Å; K73-D109 IonicContact NZ-OD2 3.89Å |
| 110 | V | 56.7 | Low | 72.1 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 42% | 0.418 | 28% | 0.282 | S | S | . | . | trans | -141.1 | 64.8 | -172.8 | -160.6 | 0 | 0 | 0 | 0 | 110.3 | Q108 | Q108-V110 HydrophobicContact CB-CB 4.47Å; Q108-V110 HydrophobicContact CB-CG2 3.96Å; Q108-V110 PolarHBondContact O-N 3.37Å | ||
| 111 | C | 52.9 | Low | 70.7 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | trans | 176.2 | 86.2 | 149.8 | -99.1 | 0 | 0 | 0 | 0 | 110.6 | F114 | C111-F114 HydrophobicContact CB-CB 4.33Š| ||
| 112 | E | 55.2 | Low | 69.1 | Low | 97 Ų | 97 | 54.7 Ų | 54.7 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.2 | -31.3 | 159 | -66.6 | 178 | 172.6 | 0 | 0 | 110.1 | F114 M116 A130 | E112-F114 PolarHBondContact O-N 2.9Å; E112-M116 VanDerWaalsContact O-CB 3.24Å; E112-M116 WeakPolarHBondContact O-CB 3.34Å; E112-M116 WeakPolarHBondContact O-CG 3.42Å; E112-M116 PolarHBondContact O-N 2.91Å; E112-A130 WeakPolarHBondContact OE2-CB 3.37Å |
| 113 | N | 62.6 | Low | 67.1 | Low | 108 Ų | 108 | 58 Ų | 58 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.7 | -34.9 | -174.4 | -64.1 | -20.7 | 0 | 0 | 0 | 114.5 | V117 | N113-V117 WeakPolarHBondContact O-CB 3.48Å; N113-V117 WeakPolarHBondContact O-CG2 3.39Å; N113-V117 PolarHBondContact O-N 2.85Å; N113-V117 VanDerWaalsContact O-N 3.09Å |
| 114 | F | 72.4 | Confident | 64.8 | Low | 40 Ų | 40 | 63.5 Ų | 63.5 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.1 | -55.5 | -178 | 179.6 | -94.7 | 0 | 0 | 0 | 110.8 | P39 W61 F63 P67 C111 E112 M116 V117 W118 | P39-F114 HydrophobicContact CB-CE1 4.34Å; P39-F114 HydrophobicContact CG-CE1 4.39Å; P39-F114 HydrophobicContact CG-CZ 4.17Å; W61-F114 HydrophobicContact CZ2-CE1 4.13Å; W61-F114 HydrophobicContact CZ2-CZ 4.03Å; F63-F114 HydrophobicContact CD2-CE2 4.34Å; F63-F114 AromaticContact CD2-CZ 3.9Å; F63-F114 HydrophobicContact CD2-CZ 3.9Å; F63-F114 HydrophobicContact CE2-CZ 4.06Å; F63-F114 HydrophobicContact CG-CE2 4.36Å; F63-F114 HydrophobicContact CG-CZ 4.35Å; P67-F114 HydrophobicContact CG-CB 4.01Å; P67-F114 HydrophobicContact CG-CD1 3.41Å; P67-F114 VanDerWaalsContact CG-CD1 3.41Å; P67-F114 HydrophobicContact CG-CE1 4Å; P67-F114 HydrophobicContact CG-CG 3.76Å; C111-F114 HydrophobicContact CB-CB 4.33Å; E112-F114 PolarHBondContact O-N 2.9Å; F114-M116 VanDerWaalsContact C-N 3.34Å; F114-M116 PolarHBondContact O-N 3.04Å; F114-V117 PolarHBondContact O-N 3.44Å; F114-W118 AromaticContact CE2-NE1 3.92Å |
| 115 | W | 74.2 | Confident | 62.5 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.4 | -32.5 | -179.3 | -59.1 | 109 | 0 | 0 | 0 | 112.5 | P39 F42 M43 W61 L66 P67 L71 W118 S119 M122 | P39-W115 HydrophobicContact CB-CE3 4.2Å; P39-W115 HydrophobicContact CB-CZ3 3.86Å; F42-W115 AromaticContact CD1-CH2 3.79Å; F42-W115 HydrophobicContact CD1-CH2 3.79Å; F42-W115 HydrophobicContact CD1-CZ3 4.44Å; F42-W115 HydrophobicContact CE1-CH2 4.33Å; M43-W115 HydrophobicContact CE-CE3 4.1Å; M43-W115 HydrophobicContact CG-CD2 4.37Å; M43-W115 HydrophobicContact CG-CE3 3.57Å; M43-W115 HydrophobicContact CG-CH2 4.39Å; M43-W115 HydrophobicContact CG-CZ3 3.58Å; M43-W115 HydrophobicContact SD-CB 4.31Å; M43-W115 HydrophobicContact SD-CD2 4.06Å; M43-W115 HydrophobicContact SD-CE3 3.52Å; M43-W115 VanDerWaalsContact SD-CE3 3.52Å; M43-W115 HydrophobicContact SD-CG 4.42Å; M43-W115 HydrophobicContact SD-CZ3 4.18Å; W61-W115 AromaticContact CH2-CH2 3.91Å; W61-W115 HydrophobicContact CH2-CH2 3.91Å; W61-W115 HydrophobicContact CH2-CZ3 4.35Å; W61-W115 HydrophobicContact CZ2-CH2 4.41Å; L66-W115 HydrophobicContact CD1-CH2 4.44Å; L66-W115 HydrophobicContact CD1-CZ2 4.47Å; P67-W115 HydrophobicContact CG-CZ2 4.11Å; P67-W115 VanDerWaalsContact O-CE2 3.22Å; P67-W115 WeakPolarHBondContact O-CZ2 3.44Å; P67-W115 PolarHBondContact O-NE1 3.28Å; L71-W115 HydrophobicContact CD1-CH2 3.78Å; L71-W115 HydrophobicContact CD1-CZ2 3.59Å; L71-W115 HydrophobicContact CD1-CZ3 4.42Å; L71-W115 HydrophobicContact CG-CZ2 4.27Å; W115-W118 CarbonylContact O-C 3.57Å; W115-W118 PolarHBondContact O-N 2.99Å; W115-S119 WeakPolarHBondContact O-CB 3.45Å; W115-S119 PolarHBondContact O-N 3.5Å; W115-S119 VanDerWaalsContact O-N 3.09Å; W115-M122 HydrophobicContact CB-CE 3.96Å; W115-M122 HydrophobicContact CB-SD 4.03Å; W115-M122 HydrophobicContact CG-CE 4.5Å |
| 116 | M | 67 | Low | 60.3 | Low | 90 Ų | 90 | 69.1 Ų | 69.1 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 176.5 | -72.9 | -68 | -70.4 | 0 | 0 | 113.3 | E112 F114 W118 M122 | E112-M116 VanDerWaalsContact O-CB 3.24Å; E112-M116 WeakPolarHBondContact O-CB 3.34Å; E112-M116 WeakPolarHBondContact O-CG 3.42Å; E112-M116 PolarHBondContact O-N 2.91Å; F114-M116 VanDerWaalsContact C-N 3.34Å; F114-M116 PolarHBondContact O-N 3.04Å; M116-W118 PolarHBondContact O-N 3.31Å; M116-M122 HydrophobicContact SD-CB 3.62Å; M116-M122 HydrophobicContact SD-SD 4.33Å |
| 117 | V | 66.1 | Low | 58.1 | Low | 106 Ų | 106 | 78 Ų | 78 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.6 | -30 | 176.8 | 168 | 0 | 0 | 0 | 0 | 111.7 | N113 F114 | N113-V117 WeakPolarHBondContact O-CB 3.48Å; N113-V117 WeakPolarHBondContact O-CG2 3.39Å; N113-V117 PolarHBondContact O-N 2.85Å; N113-V117 VanDerWaalsContact O-N 3.09Å; F114-V117 PolarHBondContact O-N 3.44Å |
| 118 | W | 65.4 | Low | 55.5 | Low | 84 Ų | 84 | 85.4 Ų | 85.4 | 32% | 0.318 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 9 | -175.7 | -57.5 | 115.2 | 0 | 0 | 0 | 113.8 | E36 P39 F114 W115 M116 | E36-W118 HydrophobicContact CB-CE3 4.41Å; E36-W118 HydrophobicContact CB-CZ3 3.81Å; E36-W118 HydrophobicContact CG-CH2 4.12Å; E36-W118 HydrophobicContact CG-CZ3 3.7Å; P39-W118 HydrophobicContact CB-CB 3.78Å; P39-W118 HydrophobicContact CB-CG 4.04Å; P39-W118 HydrophobicContact CG-CB 4.17Å; P39-W118 HydrophobicContact CG-CD2 4.35Å; P39-W118 HydrophobicContact CG-CG 3.9Å; F114-W118 AromaticContact CE2-NE1 3.92Å; W115-W118 CarbonylContact O-C 3.57Å; W115-W118 PolarHBondContact O-N 2.99Å; M116-W118 PolarHBondContact O-N 3.31Å |
| 119 | S | 55.7 | Low | 53.2 | Low | 15 Ų | 15 | 93 Ų | 93 | 11% | 0.105 | 50% | 0.503 | C | S | . | . | trans | -140.2 | 108.7 | -174.8 | -167.4 | 0 | 0 | 0 | 0 | 113.9 | W115 A121 M122 | W115-S119 WeakPolarHBondContact O-CB 3.45Å; W115-S119 PolarHBondContact O-N 3.5Å; W115-S119 VanDerWaalsContact O-N 3.09Å; S119-A121 PolarHBondContact O-N 3.05Å; S119-A121 PolarHBondContact OG-N 3.4Å; S119-M122 PolarHBondContact OG-N 3.44Å; S119-M122 VanDerWaalsContact OG-N 3.09Å | ||
| 120 | E | 49.4 | Very low | 51.4 | Low | 130 Ų | 130 | 91.8 Ų | 91.8 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.6 | 161.1 | -76.9 | -172.2 | 160.2 | 0 | 0 | 112.4 | R10 A123 | R10-E120 IonicContact NH1-OE2 3.58Å; R10-E120 PolarHBondContact NH1-OE2 3.19Å; R10-E120 VanDerWaalsContact NH1-OE2 3.1Å; E120-A123 WeakPolarHBondContact O-CB 3.4Å; E120-A123 PolarHBondContact O-N 2.86Å |
| 121 | A | 45 | Very low | 50.2 | Low | 78 Ų | 78 | 98 Ų | 98 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -34.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S119 A123 R124 | S119-A121 PolarHBondContact O-N 3.05Å; S119-A121 PolarHBondContact OG-N 3.4Å; A121-A123 VanDerWaalsContact C-N 3.28Å; A121-A123 PolarHBondContact O-N 2.67Å; A121-R124 PolarHBondContact O-N 2.98Å |
| 122 | M | 46.6 | Very low | 49.4 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 32% | 0.32 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -69.8 | -24.8 | 171.6 | -81.1 | -153.9 | -176.9 | 0 | 0 | 112.8 | M43 W115 M116 S119 R124 G125 | M43-M122 HydrophobicContact SD-CE 4.04Å; W115-M122 HydrophobicContact CB-CE 3.96Å; W115-M122 HydrophobicContact CB-SD 4.03Å; W115-M122 HydrophobicContact CG-CE 4.5Å; M116-M122 HydrophobicContact SD-CB 3.62Å; M116-M122 HydrophobicContact SD-SD 4.33Å; S119-M122 PolarHBondContact OG-N 3.44Å; S119-M122 VanDerWaalsContact OG-N 3.09Å; M122-R124 PolarHBondContact O-N 3.1Å; M122-G125 PolarHBondContact O-N 2.98Å |
| 123 | A | 41.3 | Very low | 48.1 | Very low | 73 Ų | 73 | 108 Ų | 108 | 60% | 0.603 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -68 | -19.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E120 A121 | E120-A123 WeakPolarHBondContact O-CB 3.4Å; E120-A123 PolarHBondContact O-N 2.86Å; A121-A123 VanDerWaalsContact C-N 3.28Å; A121-A123 PolarHBondContact O-N 2.67Å |
| 124 | R | 39.6 | Very low | 46.7 | Very low | 194 Ų | 194 | 112 Ų | 112 | 73% | 0.732 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -98.6 | -10.1 | -179.4 | -61.3 | -173.1 | -164.8 | -159.9 | 0.1 | 114.2 | A121 M122 | A121-R124 PolarHBondContact O-N 2.98Å; M122-R124 PolarHBondContact O-N 3.1Å |
| 125 | G | 41 | Very low | 44.5 | Very low | 39 Ų | 39 | 115.5 Ų | 115.5 | 40% | 0.402 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -105.5 | 78.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M122 F127 | M122-G125 PolarHBondContact O-N 2.98Å; G125-F127 WeakPolarHBondContact O-CD2 3.5Å; G125-F127 WeakPolarHBondContact O-CE2 3.27Å; G125-F127 PolarHBondContact O-N 2.73Å |
| 126 | S | 44.1 | Very low | 42.4 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | trans | 4 | 97 | 170.3 | -57.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 127 | F | 43.4 | Very low | 40.9 | Very low | 188 Ų | 188 | 120 Ų | 120 | 83% | 0.825 | 64% | 0.636 | S | S | * | * | trans | -146.3 | 80.4 | 153.5 | -63.5 | -75.6 | 0 | 0 | 0 | 109.7 | G125 | G125-F127 WeakPolarHBondContact O-CD2 3.5Å; G125-F127 WeakPolarHBondContact O-CE2 3.27Å; G125-F127 PolarHBondContact O-N 2.73Å | ||
| 128 | L | 34.1 | Very low | 39.3 | Very low | 167 Ų | 167 | 123.6 Ų | 123.6 | 87% | 0.874 | 65% | 0.646 | S | S | * | * | trans | -89.9 | 100.9 | 167.6 | -83.4 | 152.3 | 0 | 0 | 0 | 107.7 | ||||
| 129 | N | 33.8 | Very low | 37.6 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 88% | 0.882 | 67% | 0.668 | S | S | * | * | trans | 166.5 | 73.8 | 141.5 | -82.8 | -22.3 | 0 | 0 | 0 | 111.4 | ||||
| 130 | A | 32.7 | Very low | 36.7 | Very low | 64 Ų | 64 | 130.1 Ų | 130.1 | 53% | 0.529 | 69% | 0.692 | S | S | . | * | trans | -122.1 | 99.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | E112 R132 | E112-A130 WeakPolarHBondContact OE2-CB 3.37Å; A130-R132 PolarHBondContact O-N 3.4Å | ||
| 131 | K | 31.6 | Very low | 35.9 | Very low | 201 Ų | 201 | 129.5 Ų | 129.5 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -56.2 | 128.3 | 167.7 | -89.3 | -178.6 | 175.7 | 177.2 | 0 | 108.3 | N133 | K131-N133 PolarHBondContact O-N 3.49Š| ||
| 132 | R | 37.2 | Very low | 35.6 | Very low | 219 Ų | 219 | 138 Ų | 138 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | trans | -58.4 | 94.1 | 173.5 | -88.7 | 179.9 | 170.1 | 175.7 | -1.1 | 110.2 | A130 | A130-R132 PolarHBondContact O-N 3.4Š| ||
| 133 | N | 27.5 | Very low | 35.2 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | -99.6 | 98.3 | 158.4 | -73.2 | -8.8 | 0 | 0 | 0 | 107.6 | K131 T135 | K131-N133 PolarHBondContact O-N 3.49Å; N133-T135 VanDerWaalsContact C-N 3.27Å; N133-T135 PolarHBondContact O-N 3.38Å; N133-T135 VanDerWaalsContact O-N 3.08Å | ||
| 134 | K | 32.4 | Very low | 34.6 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | -75 | 84.1 | 165.2 | -74 | -176.5 | 177.4 | -179.4 | 0 | 107.8 | ||||
| 135 | T | 27.6 | Very low | 34.5 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 120.5 | 157.6 | 32.5 | 0 | 0 | 0 | 0 | 107.9 | N133 V137 | N133-T135 VanDerWaalsContact C-N 3.27Å; N133-T135 PolarHBondContact O-N 3.38Å; N133-T135 VanDerWaalsContact O-N 3.08Å; T135-V137 PolarHBondContact O-N 2.85Å; T135-V137 VanDerWaalsContact O-N 3.14Å |
| 136 | P | 29.1 | Very low | 35 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119.5 | 166.4 | 17.7 | -14.8 | 0 | 0 | 0 | 106.7 | Q138 | P136-Q138 PolarHBondContact O-N 2.86Å; P136-Q138 VanDerWaalsContact O-N 3.08Å |
| 137 | V | 35.8 | Very low | 35.7 | Very low | 66 Ų | 66 | 152.2 Ų | 152.2 | 40% | 0.4 | 76% | 0.76 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 117.4 | 168 | 176.1 | 0 | 0 | 0 | 0 | 105.7 | T135 D139 | T135-V137 PolarHBondContact O-N 2.85Å; T135-V137 VanDerWaalsContact O-N 3.14Å; V137-D139 PolarHBondContact O-N 3.41Å |
| 138 | Q | 31.3 | Very low | 37.1 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -58 | 112.4 | 178.7 | -155.4 | 172.1 | 13.9 | 0 | 0 | 107.9 | P136 C140 | P136-Q138 PolarHBondContact O-N 2.86Å; P136-Q138 VanDerWaalsContact O-N 3.08Å; Q138-C140 PolarHBondContact O-N 3.26Å | ||
| 139 | D | 30.6 | Very low | 39.6 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 127.6 | 175.3 | -86 | -30 | 0 | 0 | 0 | 108.6 | V137 | V137-D139 PolarHBondContact O-N 3.41Š|
| 140 | C | 36.7 | Very low | 42.3 | Very low | 91 Ų | 91 | 132 Ų | 132 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 149.1 | 169.6 | -67.4 | 0 | 0 | 0 | 0 | 110.2 | Q138 R142 | Q138-C140 PolarHBondContact O-N 3.26Å; C140-R142 PolarHBondContact O-N 3.03Å |
| 141 | P | 33.5 | Very low | 45.2 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138 | -177.6 | 22.7 | -32 | 0 | 0 | 0 | 111.8 | M143 | P141-M143 PolarHBondContact O-N 2.76Š|
| 142 | R | 38.7 | Very low | 48 | Very low | 256 Ų | 256 | 120.4 Ų | 120.4 | 97% | 0.966 | 60% | 0.603 | S | S | * | * | trans | -57.2 | 104.8 | 179.4 | -77.3 | 179.8 | 174.1 | -179 | -1.9 | 110.8 | C140 | C140-R142 PolarHBondContact O-N 3.03Š| ||
| 143 | M | 36.5 | Very low | 50.6 | Low | 149 Ų | 149 | 110.1 Ų | 110.1 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | trans | -97.9 | 117.9 | 170.1 | -70.9 | -85.2 | -114.5 | 0 | 0 | 109.3 | P141 Q147 | P141-M143 PolarHBondContact O-N 2.76Å; M143-Q147 PolarHBondContact O-NE2 2.73Å | ||
| 144 | R | 29.1 | Very low | 53.6 | Low | 261 Ų | 261 | 105.3 Ų | 105.3 | 99% | 0.985 | 54% | 0.538 | S | S | * | . | trans | -90.7 | 118.3 | -176.9 | -162.5 | -173.9 | -89.4 | -143.1 | 0.8 | 109.5 | ||||
| 145 | G | 38.5 | Very low | 56.5 | Low | 57 Ų | 57 | 96.2 Ų | 96.2 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 160.8 | 166.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q147 | G145-Q147 VanDerWaalsContact C-N 3.33Å; G145-Q147 PolarHBondContact O-N 3.3Å |
| 146 | Q | 51.1 | Low | 59.4 | Low | 208 Ų | 208 | 96 Ų | 96 | 97% | 0.972 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -55.9 | 98.7 | 168.5 | -85.7 | 176.9 | -19.7 | 0 | 0 | 107.9 | ||
| 147 | Q | 59 | Low | 62.4 | Low | 101 Ų | 101 | 90.4 Ų | 90.4 | 47% | 0.472 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 130.6 | -172.4 | -76.1 | -172.4 | -16.9 | 0 | 0 | 109.5 | M143 G145 | M143-Q147 PolarHBondContact O-NE2 2.73Å; G145-Q147 VanDerWaalsContact C-N 3.33Å; G145-Q147 PolarHBondContact O-N 3.3Å |
| 148 | P | 71.7 | Confident | 64.6 | Low | 58 Ų | 58 | 92 Ų | 92 | 38% | 0.377 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 143.5 | 170.5 | 23.6 | -30.9 | 0 | 0 | 0 | 110.1 | T150 L179 H181 | P148-T150 PolarHBondContact O-N 2.87Å; P148-L179 CarbonylContact C-O 3.31Å; P148-L179 VanDerWaalsContact CA-O 3.25Å; P148-L179 WeakPolarHBondContact CA-O 3.37Å; P148-L179 WeakPolarHBondContact CB-O 3.45Å; P148-H181 HydrophobicContact CG-CB 4.31Å |
| 149 | L | 87.8 | Confident | 66.8 | Low | 8 Ų | 8 | 88.6 Ų | 88.6 | 4% | 0.042 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 124.3 | 176.9 | 179.2 | 82.1 | 0 | 0 | 0 | 108.7 | L87 L91 W100 L102 Q103 W172 L179 L180 H181 | L87-L149 HydrophobicContact CB-CD2 4.46Å; L87-L149 HydrophobicContact CD1-CD2 3.92Å; L87-L149 HydrophobicContact CD2-CD2 4.09Å; L87-L149 HydrophobicContact CG-CD2 4.39Å; L91-L149 HydrophobicContact CD2-CB 4.37Å; W100-L149 HydrophobicContact CZ2-CD1 4.46Å; L102-L149 HydrophobicContact CG-CD1 4.46Å; Q103-L149 VanDerWaalsContact C-CD1 3.49Å; Q103-L149 WeakPolarHBondContact O-CD1 3.32Å; L149-W172 HydrophobicContact CD2-CH2 4.11Å; L149-L179 PolarHBondContact N-O 2.87Å; L149-L180 HydrophobicContact CB-CD2 3.8Å; L149-L180 HydrophobicContact CD2-CD2 3.88Å; L149-L180 HydrophobicContact CG-CD2 4.32Å; L149-L180 WeakPolarHBondContact O-CA 3.32Å; L149-H181 PolarHBondContact O-N 2.93Å |
| 150 | T | 90.7 | Very high | 68.6 | Low | 28 Ų | 28 | 91.7 Ų | 91.7 | 17% | 0.172 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.9 | -179.7 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | Q103 V104 L105 P148 F152 H181 C183 | Q103-T150 PolarHBondContact O-N 2.78Å; V104-T150 CarbonylContact C-O 3.57Å; V104-T150 VanDerWaalsContact CA-O 3.29Å; V104-T150 WeakPolarHBondContact CA-O 3.43Å; L105-T150 PolarHBondContact N-O 3.3Å; P148-T150 PolarHBondContact O-N 2.87Å; T150-F152 HydrophobicContact CG2-CD2 4.29Å; T150-F152 HydrophobicContact CG2-CE1 4.39Å; T150-F152 HydrophobicContact CG2-CE2 3.95Å; T150-F152 HydrophobicContact CG2-CZ 4Å; T150-H181 CarbonylContact C-O 3.59Å; T150-H181 WeakPolarHBondContact CA-O 3.37Å; T150-C183 HydrophobicContact CG2-CB 4.4Å |
| 151 | V | 92.4 | Very high | 70.2 | Confident | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.6 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | L105 L107 L169 W172 H181 L182 C183 | L105-V151 HydrophobicContact CB-CG2 4.38Å; L105-V151 HydrophobicContact CD2-CG1 4.23Å; L105-V151 HydrophobicContact CD2-CG2 4.49Å; L105-V151 WeakPolarHBondContact O-CA 3.06Å; L107-V151 HydrophobicContact CD1-CG1 4.01Å; L107-V151 HydrophobicContact CG-CG1 4.44Å; V151-L169 HydrophobicContact CG1-CD1 4.28Å; V151-W172 HydrophobicContact CG2-CZ3 3.95Å; V151-H181 PolarHBondContact N-O 2.87Å; V151-L182 HydrophobicContact CB-CD1 3.95Å; V151-L182 HydrophobicContact CG1-CD1 3.93Å; V151-C183 PolarHBondContact O-N 2.9Å |
| 152 | F | 91.7 | Very high | 72.4 | Confident | 22 Ų | 22 | 88.8 Ų | 88.8 | 10% | 0.096 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.8 | 172.8 | -78.9 | -61.8 | 0 | 0 | 0 | 110.2 | V104 L105 L107 Q108 T150 C183 | V104-F152 HydrophobicContact CG1-CD2 3.42Å; V104-F152 VanDerWaalsContact CG1-CD2 3.42Å; V104-F152 HydrophobicContact CG1-CE2 3.75Å; L105-F152 PolarHBondContact O-N 2.85Å; L107-F152 WeakPolarHBondContact CA-O 3.48Å; L107-F152 WeakPolarHBondContact CB-O 3.33Å; L107-F152 PolarHBondContact N-O 3.02Å; Q108-F152 HydrophobicContact CG-CB 3.89Å; T150-F152 HydrophobicContact CG2-CD2 4.29Å; T150-F152 HydrophobicContact CG2-CE1 4.39Å; T150-F152 HydrophobicContact CG2-CE2 3.95Å; T150-F152 HydrophobicContact CG2-CZ 4Å; F152-C183 WeakPolarHBondContact CA-O 3.37Å; F152-C183 HydrophobicContact CD1-CB 3.52Å; F152-C183 HydrophobicContact CE1-CB 3.5Å; F152-C183 VanDerWaalsContact CE1-CB 3.5Å |
| 153 | V | 91.3 | Very high | 74.5 | Confident | 4 Ų | 4 | 80.4 Ų | 80.4 | 2% | 0.024 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 156.6 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | Q108 L155 L166 L169 L182 C183 C184 K185 | Q108-V153 PolarHBondContact NE2-O 2.93Å; V153-L155 HydrophobicContact CG1-CD1 4.49Å; V153-L155 HydrophobicContact CG1-CD2 4.01Å; V153-L155 HydrophobicContact CG1-CG 3.97Å; V153-L155 HydrophobicContact CG2-CD2 3.99Å; V153-L166 HydrophobicContact CG2-CD2 4.17Å; V153-L169 HydrophobicContact CG2-CD2 4.2Å; V153-L182 HydrophobicContact CB-CD1 4.42Å; V153-L182 HydrophobicContact CG1-CD1 3.68Å; V153-L182 HydrophobicContact CG1-CG 4.29Å; V153-C183 PolarHBondContact N-O 2.78Å; V153-C184 HydrophobicContact CG1-CB 4.35Å; V153-C184 WeakPolarHBondContact O-CA 3.29Å; V153-K185 PolarHBondContact O-N 2.81Å |
| 154 | E | 91 | Very high | 76.9 | Confident | 35 Ų | 35 | 80 Ų | 80 | 16% | 0.164 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.4 | 161 | -63.7 | -167.9 | 166.6 | 0 | 0 | 108.4 | Q108 K186 | Q108-E154 HydrophobicContact CB-CG 4.3Å; Q108-E154 HydrophobicContact CG-CG 4.12Å; E154-K186 HydrophobicContact CG-CB 4.25Å; E154-K186 WeakPolarHBondContact OE1-CD 3.45Å; E154-K186 IonicContact OE1-NZ 3.23Å; E154-K186 PolarHBondContact OE1-NZ 3.44Å |
| 155 | L | 91.8 | Very high | 79.6 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120 | -173.4 | -67.7 | 175.1 | 0 | 0 | 0 | 110.8 | V153 L157 L166 C184 K186 L187 K188 I200 V204 | V153-L155 HydrophobicContact CG1-CD1 4.49Å; V153-L155 HydrophobicContact CG1-CD2 4.01Å; V153-L155 HydrophobicContact CG1-CG 3.97Å; V153-L155 HydrophobicContact CG2-CD2 3.99Å; L155-L157 HydrophobicContact CB-CD2 4.45Å; L155-L166 HydrophobicContact CD2-CD2 4.1Å; L155-C184 HydrophobicContact CD1-CB 3.98Å; L155-C184 HydrophobicContact CG-CB 4.32Å; L155-K186 PolarHBondContact N-O 3.3Å; L155-L187 HydrophobicContact CB-CD1 3.84Å; L155-L187 HydrophobicContact CD1-CD1 4.47Å; L155-K188 PolarHBondContact O-N 2.97Å; L155-I200 HydrophobicContact CD1-CG2 3.87Å; L155-V204 HydrophobicContact CD1-CG2 3.72Å |
| 156 | W | 89.6 | Confident | 81.8 | Confident | 109 Ų | 109 | 68 Ų | 68 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 90 | -178.1 | -69.7 | 47.3 | 0 | 0 | 0 | 109 | K158 K188 | W156-K158 PolarHBondContact O-N 2.86Å; W156-K158 VanDerWaalsContact O-N 3.15Å; W156-K188 HydrophobicContact CD2-CD 4.16Å; W156-K188 HydrophobicContact CE3-CD 4.48Å; W156-K188 HydrophobicContact CZ2-CD 4.24Å |
| 157 | L | 90.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 76.1 | -172.2 | -51.4 | -174.9 | 0 | 0 | 0 | 110.4 | L155 L162 L187 K188 I189 L190 M192 I197 I200 | L155-L157 HydrophobicContact CB-CD2 4.45Å; L157-L162 HydrophobicContact CD2-CD2 3.81Å; L157-L187 HydrophobicContact CD1-CD1 4Å; L157-L187 HydrophobicContact CG-CD1 4.29Å; L157-K188 PolarHBondContact N-O 2.84Å; L157-I189 HydrophobicContact CD1-CG1 4.42Å; L157-L190 CarbonylContact O-C 3.58Å; L157-L190 PolarHBondContact O-N 2.9Å; L157-M192 HydrophobicContact CB-CB 4.05Å; L157-M192 HydrophobicContact CB-CE 3.98Å; L157-M192 HydrophobicContact CB-SD 3.89Å; L157-M192 HydrophobicContact CD1-SD 4.21Å; L157-M192 HydrophobicContact CD2-CE 4.16Å; L157-M192 HydrophobicContact CD2-SD 4.18Å; L157-M192 HydrophobicContact CG-SD 4.32Å; L157-I197 HydrophobicContact CD1-CB 4.45Å; L157-I197 HydrophobicContact CD1-CG1 3.99Å; L157-I197 HydrophobicContact CD1-CG2 4.26Å; L157-I200 HydrophobicContact CD1-CD1 4.14Å; L157-I200 HydrophobicContact CD2-CD1 3.68Å |
| 158 | K | 83.4 | Confident | 85.1 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | trans | -93.3 | -34.3 | -171.3 | -61.2 | -163.5 | 170.4 | 170 | 0 | 116.8 | W156 L190 | W156-K158 PolarHBondContact O-N 2.86Å; W156-K158 VanDerWaalsContact O-N 3.15Å; K158-L190 CarbonylContact C-O 3.17Å; K158-L190 WeakPolarHBondContact CA-O 3.47Å; K158-L190 HydrophobicContact CD-CD1 3.93Å; K158-L190 HydrophobicContact CG-CB 4.31Å; K158-L190 HydrophobicContact CG-CD1 3.76Å; K158-L190 HydrophobicContact CG-CG 4.21Å | ||
| 159 | N | 76.8 | Confident | 86 | Confident | 107 Ų | 107 | 56 Ų | 56 | 57% | 0.572 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -113.7 | 170.5 | -169.2 | -70.7 | -16.2 | 0 | 0 | 0 | 110 | T161 M192 | N159-T161 VanDerWaalsContact CB-O 3.24Å; N159-T161 WeakPolarHBondContact CB-O 3.31Å; N159-T161 PolarHBondContact O-N 3.22Å; N159-M192 VanDerWaalsContact O-CE 3.25Å; N159-M192 WeakPolarHBondContact O-CE 3.1Å |
| 160 | R | 69.1 | Low | 86.2 | Confident | 212 Ų | 212 | 56.1 Ų | 56.1 | 80% | 0.8 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -60 | -31.5 | 168.7 | -69.5 | -173.6 | 177.7 | -166.8 | 1.1 | 111.5 | N196 | R160-N196 PolarHBondContact O-ND2 3.17Š|
| 161 | T | 70.6 | Confident | 86.2 | Confident | 103 Ų | 103 | 59.1 Ų | 59.1 | 63% | 0.632 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -110.7 | 147.4 | 177.6 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | N159 | N159-T161 VanDerWaalsContact CB-O 3.24Å; N159-T161 WeakPolarHBondContact CB-O 3.31Å; N159-T161 PolarHBondContact O-N 3.22Å |
| 162 | L | 79.3 | Confident | 86.2 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.225 | 28% | 0.279 | C | S | . | . | trans | -73.7 | 156.7 | 168.4 | -71.3 | 160.5 | 0 | 0 | 0 | 108.9 | L157 L166 T167 L170 M192 I200 | L157-L162 HydrophobicContact CD2-CD2 3.81Å; L162-L166 HydrophobicContact CB-CB 4.33Å; L162-L166 HydrophobicContact CD2-CB 4.21Å; L162-L166 HydrophobicContact CD2-CD1 4.26Å; L162-T167 VanDerWaalsContact CB-OG1 3.27Å; L162-T167 WeakPolarHBondContact CB-OG1 3.21Å; L162-L170 HydrophobicContact CD1-CD1 3.54Å; L162-L170 HydrophobicContact CD2-CD1 4.43Å; L162-M192 HydrophobicContact CD2-CE 3.8Å; L162-M192 HydrophobicContact CG-CE 4.02Å; L162-I200 HydrophobicContact CD1-CD1 4.11Å; L162-I200 HydrophobicContact CD2-CD1 4.06Å; L162-I200 HydrophobicContact CG-CD1 4.48Å | ||
| 163 | D | 83.3 | Confident | 86.1 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 43% | 0.428 | 28% | 0.277 | S | S | . | . | trans | -64 | 161.1 | 165.8 | 66.4 | 58.5 | 0 | 0 | 0 | 110.6 | Y165 L166 T167 | D163-Y165 VanDerWaalsContact C-N 3.25Å; D163-Y165 PolarHBondContact O-N 3.15Å; D163-Y165 WeakPolarHBondContact OD1-CA 3.41Å; D163-Y165 WeakPolarHBondContact OD1-CB 3.16Å; D163-Y165 PolarHBondContact OD1-N 2.98Å; D163-Y165 VanDerWaalsContact OD1-N 3.1Å; D163-L166 PolarHBondContact O-N 2.86Å; D163-L166 WeakPolarHBondContact OD1-CB 3.38Å; D163-L166 WeakPolarHBondContact OD1-CG 3.41Å; D163-L166 PolarHBondContact OD1-N 3.04Å; D163-L166 VanDerWaalsContact OD2-CD1 3.27Å; D163-L166 WeakPolarHBondContact OD2-CD1 3.23Å; D163-L166 WeakPolarHBondContact OD2-CG 3.45Å; D163-T167 VanDerWaalsContact O-CB 3.32Å; D163-T167 WeakPolarHBondContact O-CB 3.34Å; D163-T167 PolarHBondContact O-N 2.91Å; D163-T167 PolarHBondContact O-OG1 3.06Å | ||
| 164 | E | 85.8 | Confident | 86.1 | Confident | 140 Ų | 140 | 65 Ų | 65 | 65% | 0.654 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.8 | -35 | -175.3 | -66.4 | 178.8 | 177.1 | 0 | 0 | 112.4 | L77 Y168 | L77-E164 HydrophobicContact CD2-CB 4.15Å; E164-Y168 WeakPolarHBondContact O-CB 3.31Å; E164-Y168 PolarHBondContact O-N 3.5Å |
| 165 | Y | 85.1 | Confident | 86 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 19% | 0.188 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -50.8 | 178.9 | -69.5 | -90.1 | 0 | 0 | 0 | 111.9 | I72 C76 L77 F80 D163 T167 Y168 L169 | I72-Y165 HydrophobicContact CG2-CD1 3.86Å; I72-Y165 HydrophobicContact CG2-CE1 3.81Å; I72-Y165 HydrophobicContact CG2-CG 4.33Å; C76-Y165 PolarHBondContact N-OH 3.14Å; L77-Y165 HydrophobicContact CB-CE1 4.39Å; L77-Y165 HydrophobicContact CD1-CD1 3.79Å; L77-Y165 HydrophobicContact CD1-CE1 3.93Å; L77-Y165 HydrophobicContact CD1-CG 4.1Å; L77-Y165 PolarHBondContact N-OH 3.41Å; F80-Y165 HydrophobicContact CB-CD1 4.04Å; F80-Y165 HydrophobicContact CB-CE1 3.86Å; F80-Y165 AromaticContact CD1-CD1 3.74Å; F80-Y165 HydrophobicContact CD1-CD1 3.74Å; F80-Y165 HydrophobicContact CD1-CE1 4.41Å; F80-Y165 HydrophobicContact CD2-CD1 4.48Å; F80-Y165 HydrophobicContact CE1-CD1 4.29Å; F80-Y165 AromaticContact CG-CD1 3.83Å; F80-Y165 HydrophobicContact CG-CD1 3.83Å; F80-Y165 HydrophobicContact CG-CE1 4.18Å; D163-Y165 VanDerWaalsContact C-N 3.25Å; D163-Y165 PolarHBondContact O-N 3.15Å; D163-Y165 WeakPolarHBondContact OD1-CA 3.41Å; D163-Y165 WeakPolarHBondContact OD1-CB 3.16Å; D163-Y165 PolarHBondContact OD1-N 2.98Å; D163-Y165 VanDerWaalsContact OD1-N 3.1Å; Y165-T167 VanDerWaalsContact C-N 3.3Å; Y165-T167 PolarHBondContact O-N 2.92Å; Y165-Y168 PolarHBondContact O-N 3.27Å; Y165-L169 VanDerWaalsContact O-CB 3.27Å; Y165-L169 WeakPolarHBondContact O-CB 3.25Å; Y165-L169 PolarHBondContact O-N 2.91Å |
| 166 | L | 86.4 | Confident | 85.8 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 177.4 | -72.2 | -179.1 | 0 | 0 | 0 | 110.9 | V153 L155 L162 D163 L170 | V153-L166 HydrophobicContact CG2-CD2 4.17Å; L155-L166 HydrophobicContact CD2-CD2 4.1Å; L162-L166 HydrophobicContact CB-CB 4.33Å; L162-L166 HydrophobicContact CD2-CB 4.21Å; L162-L166 HydrophobicContact CD2-CD1 4.26Å; D163-L166 PolarHBondContact O-N 2.86Å; D163-L166 WeakPolarHBondContact OD1-CB 3.38Å; D163-L166 WeakPolarHBondContact OD1-CG 3.41Å; D163-L166 PolarHBondContact OD1-N 3.04Å; D163-L166 VanDerWaalsContact OD2-CD1 3.27Å; D163-L166 WeakPolarHBondContact OD2-CD1 3.23Å; D163-L166 WeakPolarHBondContact OD2-CG 3.45Å; L166-L170 VanDerWaalsContact O-CB 3.31Å; L166-L170 WeakPolarHBondContact O-CB 3.27Å; L166-L170 VanDerWaalsContact O-CG 3.23Å; L166-L170 WeakPolarHBondContact O-CG 3.21Å; L166-L170 PolarHBondContact O-N 3.3Å |
| 167 | T | 88.9 | Confident | 85.4 | Confident | 54 Ų | 54 | 74 Ų | 74 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.3 | -52.4 | 174.7 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | L162 D163 Y165 L170 L171 | L162-T167 VanDerWaalsContact CB-OG1 3.27Å; L162-T167 WeakPolarHBondContact CB-OG1 3.21Å; D163-T167 VanDerWaalsContact O-CB 3.32Å; D163-T167 WeakPolarHBondContact O-CB 3.34Å; D163-T167 PolarHBondContact O-N 2.91Å; D163-T167 PolarHBondContact O-OG1 3.06Å; Y165-T167 VanDerWaalsContact C-N 3.3Å; Y165-T167 PolarHBondContact O-N 2.92Å; T167-L170 PolarHBondContact O-N 3.01Å; T167-L171 HydrophobicContact CG2-CD1 4.12Å; T167-L171 WeakPolarHBondContact O-CG 3.27Å; T167-L171 PolarHBondContact O-N 3.08Å |
| 168 | Y | 89.8 | Confident | 85 | Confident | 58 Ų | 58 | 81 Ų | 81 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 179.4 | -174.5 | -88 | 0 | 0 | 0 | 111.6 | F80 Q81 L84 D85 E164 Y165 L170 L171 W172 | F80-Y168 HydrophobicContact CD1-CD1 4.4Å; F80-Y168 HydrophobicContact CE1-CD1 4.19Å; Q81-Y168 HydrophobicContact CB-CE1 4.28Å; Q81-Y168 HydrophobicContact CG-CD1 4.07Å; Q81-Y168 HydrophobicContact CG-CD2 4.02Å; Q81-Y168 HydrophobicContact CG-CE1 3.8Å; Q81-Y168 HydrophobicContact CG-CE2 3.73Å; Q81-Y168 HydrophobicContact CG-CG 4.18Å; L84-Y168 HydrophobicContact CB-CE1 4.15Å; L84-Y168 HydrophobicContact CD1-CD1 3.57Å; L84-Y168 HydrophobicContact CD1-CE1 3.47Å; L84-Y168 VanDerWaalsContact CD1-CE1 3.47Å; L84-Y168 HydrophobicContact CG-CE1 4.38Å; D85-Y168 PolarHBondContact OD1-OH 3Å; E164-Y168 WeakPolarHBondContact O-CB 3.31Å; E164-Y168 PolarHBondContact O-N 3.5Å; Y165-Y168 PolarHBondContact O-N 3.27Å; Y168-L170 PolarHBondContact O-N 3.12Å; Y168-L171 PolarHBondContact O-N 3.28Å; Y168-W172 WeakPolarHBondContact O-CB 3.32Å; Y168-W172 PolarHBondContact O-N 3.34Å |
| 169 | L | 91 | Very high | 85 | Confident | 3 Ų | 3 | 79.8 Ų | 79.8 | 2% | 0.016 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 177.5 | 178.3 | 67.9 | 0 | 0 | 0 | 111.8 | F80 L84 L107 V151 V153 Y165 W172 V173 | F80-L169 HydrophobicContact CE1-CB 4.4Å; F80-L169 HydrophobicContact CZ-CB 4.29Å; F80-L169 HydrophobicContact CZ-CD1 4.27Å; L84-L169 HydrophobicContact CD1-CD1 4.29Å; L107-L169 HydrophobicContact CD1-CD1 4.04Å; L107-L169 HydrophobicContact CD1-CD2 3.52Å; L107-L169 HydrophobicContact CD1-CG 4.42Å; V151-L169 HydrophobicContact CG1-CD1 4.28Å; V153-L169 HydrophobicContact CG2-CD2 4.2Å; Y165-L169 VanDerWaalsContact O-CB 3.27Å; Y165-L169 WeakPolarHBondContact O-CB 3.25Å; Y165-L169 PolarHBondContact O-N 2.91Å; L169-W172 HydrophobicContact CD1-CE3 4.13Å; L169-W172 HydrophobicContact CD1-CZ3 4.5Å; L169-W172 PolarHBondContact O-N 3.14Å; L169-V173 HydrophobicContact CD1-CG2 4.42Å; L169-V173 VanDerWaalsContact O-CG2 3.31Å; L169-V173 WeakPolarHBondContact O-CG2 3.39Å; L169-V173 PolarHBondContact O-N 3.37Å |
| 170 | L | 91 | Very high | 85.6 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.3 | -33.8 | -178.8 | -71.1 | 171.8 | 0 | 0 | 0 | 112.1 | L162 L166 T167 Y168 K174 L182 I200 | L162-L170 HydrophobicContact CD1-CD1 3.54Å; L162-L170 HydrophobicContact CD2-CD1 4.43Å; L166-L170 VanDerWaalsContact O-CB 3.31Å; L166-L170 WeakPolarHBondContact O-CB 3.27Å; L166-L170 VanDerWaalsContact O-CG 3.23Å; L166-L170 WeakPolarHBondContact O-CG 3.21Å; L166-L170 PolarHBondContact O-N 3.3Å; T167-L170 PolarHBondContact O-N 3.01Å; Y168-L170 PolarHBondContact O-N 3.12Å; L170-K174 WeakPolarHBondContact O-CB 3.31Å; L170-K174 PolarHBondContact O-N 3.08Å; L170-L182 HydrophobicContact CD2-CD2 3.75Å; L170-I200 HydrophobicContact CD1-CD1 4.18Å; L170-I200 HydrophobicContact CD1-CG1 3.98Å; L170-I200 HydrophobicContact CD1-CG2 4.37Å; L170-I200 HydrophobicContact CD2-CG2 4.44Å |
| 171 | L | 91.4 | Very high | 86.5 | Confident | 90 Ų | 90 | 68 Ų | 68 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 170.5 | -73.6 | 170.3 | 0 | 0 | 0 | 111.3 | T167 Y168 K174 Q175 | T167-L171 HydrophobicContact CG2-CD1 4.12Å; T167-L171 WeakPolarHBondContact O-CG 3.27Å; T167-L171 PolarHBondContact O-N 3.08Å; Y168-L171 PolarHBondContact O-N 3.28Å; L171-K174 PolarHBondContact O-N 2.81Å; L171-Q175 WeakPolarHBondContact O-CG 3.24Å; L171-Q175 PolarHBondContact O-N 3.12Å; L171-Q175 VanDerWaalsContact O-N 3.12Å |
| 172 | W | 91.6 | Very high | 87.6 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 177.5 | 178.9 | 83.8 | 0 | 0 | 0 | 111.9 | L84 L87 L91 L149 V151 Y168 L169 Q175 R176 L180 | L84-W172 HydrophobicContact CB-CD2 4.4Å; L84-W172 HydrophobicContact CB-CG 4.45Å; L84-W172 HydrophobicContact CD1-CB 4.46Å; L84-W172 HydrophobicContact CD1-CD2 4.35Å; L84-W172 HydrophobicContact CD1-CG 4.3Å; L84-W172 HydrophobicContact CD2-CD2 4.25Å; L84-W172 HydrophobicContact CD2-CE3 4.11Å; L84-W172 HydrophobicContact CD2-CH2 4.2Å; L84-W172 HydrophobicContact CD2-CZ2 4.34Å; L84-W172 HydrophobicContact CD2-CZ3 4.06Å; L84-W172 PolarHBondContact O-NE1 3.12Å; L87-W172 HydrophobicContact CB-CZ2 4.03Å; L87-W172 HydrophobicContact CD1-CH2 4.1Å; L87-W172 HydrophobicContact CD1-CZ2 4.32Å; L91-W172 HydrophobicContact CD1-CZ2 4.23Å; L149-W172 HydrophobicContact CD2-CH2 4.11Å; V151-W172 HydrophobicContact CG2-CZ3 3.95Å; Y168-W172 WeakPolarHBondContact O-CB 3.32Å; Y168-W172 PolarHBondContact O-N 3.34Å; L169-W172 HydrophobicContact CD1-CE3 4.13Å; L169-W172 HydrophobicContact CD1-CZ3 4.5Å; L169-W172 PolarHBondContact O-N 3.14Å; W172-Q175 PolarHBondContact O-N 3.23Å; W172-R176 VanDerWaalsContact CD1-CZ 3.41Å; W172-R176 PolarHBondContact O-NH1 2.82Å; W172-L180 HydrophobicContact CD2-CD1 4.07Å; W172-L180 HydrophobicContact CE3-CD1 3.57Å; W172-L180 HydrophobicContact CH2-CD1 3.47Å; W172-L180 VanDerWaalsContact CH2-CD1 3.47Å; W172-L180 HydrophobicContact CH2-CD2 3.55Å; W172-L180 HydrophobicContact CH2-CG 4.17Å; W172-L180 HydrophobicContact CZ2-CD1 3.97Å; W172-L180 HydrophobicContact CZ2-CD2 4.24Å; W172-L180 HydrophobicContact CZ3-CD1 3.26Å; W172-L180 HydrophobicContact CZ3-CD2 4.03Å; W172-L180 HydrophobicContact CZ3-CG 4.28Å |
| 173 | V | 91.1 | Very high | 88.2 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L169 Q175 R176 K177 L180 L182 | L169-V173 HydrophobicContact CD1-CG2 4.42Å; L169-V173 VanDerWaalsContact O-CG2 3.31Å; L169-V173 WeakPolarHBondContact O-CG2 3.39Å; L169-V173 PolarHBondContact O-N 3.37Å; V173-Q175 VanDerWaalsContact C-N 3.27Å; V173-Q175 PolarHBondContact O-N 3.48Å; V173-R176 CarbonylContact O-C 3.56Å; V173-R176 PolarHBondContact O-N 3.05Å; V173-K177 PolarHBondContact O-N 2.74Å; V173-L180 HydrophobicContact CG2-CD1 4.2Å; V173-L182 HydrophobicContact CG1-CB 4.15Å; V173-L182 HydrophobicContact CG1-CD2 4.23Å; V173-L182 HydrophobicContact CG2-CD1 4.34Å; V173-L182 HydrophobicContact CG2-CD2 4.46Å |
| 174 | K | 90.4 | Very high | 88.7 | Confident | 138 Ų | 138 | 57.5 Ų | 57.5 | 60% | 0.6 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.8 | -37.6 | -178.3 | -175.9 | -178.9 | 177.4 | -172.5 | 0 | 112.5 | L170 L171 R176 M203 | L170-K174 WeakPolarHBondContact O-CB 3.31Å; L170-K174 PolarHBondContact O-N 3.08Å; L171-K174 PolarHBondContact O-N 2.81Å; K174-R176 PolarHBondContact O-N 3.49Å; K174-M203 HydrophobicContact CB-SD 3.97Å; K174-M203 HydrophobicContact CG-SD 4.39Å |
| 175 | Q | 89.6 | Confident | 89 | Confident | 143 Ų | 143 | 52.8 Ų | 52.8 | 67% | 0.668 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.3 | 177.5 | -72 | 170.3 | -5.1 | 0 | 0 | 113.3 | L171 W172 V173 | L171-Q175 WeakPolarHBondContact O-CG 3.24Å; L171-Q175 PolarHBondContact O-N 3.12Å; L171-Q175 VanDerWaalsContact O-N 3.12Å; W172-Q175 PolarHBondContact O-N 3.23Å; V173-Q175 VanDerWaalsContact C-N 3.27Å; V173-Q175 PolarHBondContact O-N 3.48Å |
| 176 | R | 87.6 | Confident | 89.5 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 36.9 | -169 | -67.6 | 164.4 | -172.2 | 73.6 | 7.4 | 111.9 | D88 W172 V173 K174 D178 L179 L180 | D88-R176 IonicContact OD1-CZ 2.57Å; D88-R176 VanDerWaalsContact OD1-CZ 3.23Å; D88-R176 IonicContact OD1-NE 2.6Å; D88-R176 PolarHBondContact OD1-NE 3.19Å; D88-R176 IonicContact OD1-NH2 3.13Å; D88-R176 PolarHBondContact OD1-NH2 3.42Å; D88-R176 IonicContact OD2-CZ 2.76Å; D88-R176 IonicContact OD2-NE 3.83Å; D88-R176 IonicContact OD2-NH2 2.99Å; D88-R176 PolarHBondContact OD2-NH2 3.25Å; W172-R176 VanDerWaalsContact CD1-CZ 3.41Å; W172-R176 PolarHBondContact O-NH1 2.82Å; V173-R176 CarbonylContact O-C 3.56Å; V173-R176 PolarHBondContact O-N 3.05Å; K174-R176 PolarHBondContact O-N 3.49Å; R176-D178 PolarHBondContact O-N 3.45Å; R176-L179 HydrophobicContact CB-CB 4.43Å; R176-L179 PolarHBondContact O-N 2.95Å; R176-L180 HydrophobicContact CB-CD1 3.58Å; R176-L180 HydrophobicContact CB-CG 3.86Å; R176-L180 HydrophobicContact CG-CD1 4.43Å; R176-L180 PolarHBondContact O-N 3.42Å; R176-L180 VanDerWaalsContact O-N 3.15Å |
| 177 | K | 79.6 | Confident | 89.9 | Confident | 161 Ų | 161 | 53 Ų | 53 | 70% | 0.7 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -32 | -171.2 | -169.6 | -173.7 | 173 | -163.3 | 0 | 114 | V173 | V173-K177 PolarHBondContact O-N 2.74Š|
| 178 | D | 82.9 | Confident | 90.2 | Very high | 148 Ų | 148 | 53.1 Ų | 53.1 | 79% | 0.791 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -9.4 | -176.4 | -53.1 | -47.1 | 0 | 0 | 0 | 113.5 | R176 | R176-D178 PolarHBondContact O-N 3.45Š|
| 179 | L | 84.6 | Confident | 90.4 | Very high | 76 Ų | 76 | 50.4 Ų | 50.4 | 40% | 0.398 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -16.7 | -177.5 | -59.8 | 177.4 | 0 | 0 | 0 | 112.8 | L91 P148 L149 R176 | L91-L179 HydrophobicContact CB-CD1 4.33Å; P148-L179 CarbonylContact C-O 3.31Å; P148-L179 VanDerWaalsContact CA-O 3.25Å; P148-L179 WeakPolarHBondContact CA-O 3.37Å; P148-L179 WeakPolarHBondContact CB-O 3.45Å; L149-L179 PolarHBondContact N-O 2.87Å; R176-L179 HydrophobicContact CB-CB 4.43Å; R176-L179 PolarHBondContact O-N 2.95Å |
| 180 | L | 88 | Confident | 90.4 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.1 | -171.9 | -60.6 | 178.4 | 0 | 0 | 0 | 111.8 | L91 L149 W172 V173 R176 | L91-L180 HydrophobicContact CD1-CD2 3.75Å; L149-L180 HydrophobicContact CB-CD2 3.8Å; L149-L180 HydrophobicContact CD2-CD2 3.88Å; L149-L180 HydrophobicContact CG-CD2 4.32Å; L149-L180 WeakPolarHBondContact O-CA 3.32Å; W172-L180 HydrophobicContact CD2-CD1 4.07Å; W172-L180 HydrophobicContact CE3-CD1 3.57Å; W172-L180 HydrophobicContact CH2-CD1 3.47Å; W172-L180 VanDerWaalsContact CH2-CD1 3.47Å; W172-L180 HydrophobicContact CH2-CD2 3.55Å; W172-L180 HydrophobicContact CH2-CG 4.17Å; W172-L180 HydrophobicContact CZ2-CD1 3.97Å; W172-L180 HydrophobicContact CZ2-CD2 4.24Å; W172-L180 HydrophobicContact CZ3-CD1 3.26Å; W172-L180 HydrophobicContact CZ3-CD2 4.03Å; W172-L180 HydrophobicContact CZ3-CG 4.28Å; V173-L180 HydrophobicContact CG2-CD1 4.2Å; R176-L180 HydrophobicContact CB-CD1 3.58Å; R176-L180 HydrophobicContact CB-CG 3.86Å; R176-L180 HydrophobicContact CG-CD1 4.43Å; R176-L180 PolarHBondContact O-N 3.42Å; R176-L180 VanDerWaalsContact O-N 3.15Å |
| 181 | H | 89.4 | Confident | 90.1 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 27% | 0.269 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 102.7 | 174.3 | -170.9 | -103.8 | 0 | 0 | 0 | 110.4 | P148 L149 T150 V151 C183 N205 | P148-H181 HydrophobicContact CG-CB 4.31Å; L149-H181 PolarHBondContact O-N 2.93Å; T150-H181 CarbonylContact C-O 3.59Å; T150-H181 WeakPolarHBondContact CA-O 3.37Å; V151-H181 PolarHBondContact N-O 2.87Å; H181-C183 PolarHBondContact CE1-SG 3.15Å; H181-C183 PolarHBondContact ND1-SG 3.01Å; H181-C183 PolarHBondContact O-N 3.46Å; H181-N205 PolarHBondContact CE1-ND2 3.25Å; H181-N205 WeakPolarHBondContact NE2-CB 3.38Å; H181-N205 PolarHBondContact NE2-ND2 3.18Å |
| 182 | L | 92.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 108.6 | -179.5 | -175 | 65 | 0 | 0 | 0 | 110.8 | V151 V153 L170 V173 V204 N205 | V151-L182 HydrophobicContact CB-CD1 3.95Å; V151-L182 HydrophobicContact CG1-CD1 3.93Å; V153-L182 HydrophobicContact CB-CD1 4.42Å; V153-L182 HydrophobicContact CG1-CD1 3.68Å; V153-L182 HydrophobicContact CG1-CG 4.29Å; L170-L182 HydrophobicContact CD2-CD2 3.75Å; V173-L182 HydrophobicContact CG1-CB 4.15Å; V173-L182 HydrophobicContact CG1-CD2 4.23Å; V173-L182 HydrophobicContact CG2-CD1 4.34Å; V173-L182 HydrophobicContact CG2-CD2 4.46Å; L182-V204 HydrophobicContact CD2-CG2 3.76Å; L182-V204 HydrophobicContact CG-CG2 4.24Å; L182-N205 PolarHBondContact O-N 3.13Å |
| 183 | C | 92.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.2 | 177.3 | -86.2 | 0 | 0 | 0 | 0 | 112.1 | T150 V151 F152 V153 H181 C208 | T150-C183 HydrophobicContact CG2-CB 4.4Å; V151-C183 PolarHBondContact O-N 2.9Å; F152-C183 WeakPolarHBondContact CA-O 3.37Å; F152-C183 HydrophobicContact CD1-CB 3.52Å; F152-C183 HydrophobicContact CE1-CB 3.5Å; F152-C183 VanDerWaalsContact CE1-CB 3.5Å; V153-C183 PolarHBondContact N-O 2.78Å; H181-C183 PolarHBondContact CE1-SG 3.15Å; H181-C183 PolarHBondContact ND1-SG 3.01Å; H181-C183 PolarHBondContact O-N 3.46Å; C183-C208 HydrophobicContact CB-CB 3.56Å; C183-C208 WeakPolarHBondContact CB-SG 3.37Å; C183-C208 WeakPolarHBondContact SG-CB 3.15Å; C183-C208 CovalentContact SG-SG 2.06Å; C183-C208 PolarHBondContact SG-SG 3.32Å |
| 184 | C | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123 | 171 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | V153 L155 K186 V204 C208 I209 | V153-C184 HydrophobicContact CG1-CB 4.35Å; V153-C184 WeakPolarHBondContact O-CA 3.29Å; L155-C184 HydrophobicContact CD1-CB 3.98Å; L155-C184 HydrophobicContact CG-CB 4.32Å; C184-K186 VanDerWaalsContact SG-C 3.54Å; C184-K186 PolarHBondContact SG-O 3.37Å; C184-V204 HydrophobicContact CB-CG1 3.58Å; C184-C208 CarbonylContact O-C 3.6Å; C184-C208 VanDerWaalsContact O-O 3.1Å; C184-I209 HydrophobicContact CB-CG1 4.34Å; C184-I209 WeakPolarHBondContact O-CA 3.4Å; C184-I209 VanDerWaalsContact O-CG1 3.24Å; C184-I209 WeakPolarHBondContact O-CG1 3.12Å; C184-I209 PolarHBondContact O-N 3.02Å |
| 185 | K | 92.3 | Very high | 89.7 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -38 | 173.1 | -74.2 | -174.3 | -171.5 | 163.7 | 0 | 112.7 | V153 Q210 E211 | V153-K185 PolarHBondContact O-N 2.81Å; K185-Q210 PolarHBondContact O-N 2.85Å; K185-E211 PolarHBondContact O-N 3.33Å |
| 186 | K | 95.3 | Very high | 89.8 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 30% | 0.304 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.1 | -178.9 | -59.3 | -171.4 | -172.5 | 155.2 | 0 | 110.3 | E154 L155 C184 E211 | E154-K186 HydrophobicContact CG-CB 4.25Å; E154-K186 WeakPolarHBondContact OE1-CD 3.45Å; E154-K186 IonicContact OE1-NZ 3.23Å; E154-K186 PolarHBondContact OE1-NZ 3.44Å; L155-K186 PolarHBondContact N-O 3.3Å; C184-K186 VanDerWaalsContact SG-C 3.54Å; C184-K186 PolarHBondContact SG-O 3.37Å; K186-E211 WeakPolarHBondContact CA-O 3.32Å; K186-E211 WeakPolarHBondContact CE-OE1 3.13Å; K186-E211 HydrophobicContact CG-CB 4.13Å; K186-E211 HydrophobicContact CG-CG 4.26Å |
| 187 | L | 95.8 | Very high | 90 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.3 | 178.1 | 175.1 | 64 | 0 | 0 | 0 | 109.5 | L155 L157 I189 L201 I209 E211 V212 E213 M233 | L155-L187 HydrophobicContact CB-CD1 3.84Å; L155-L187 HydrophobicContact CD1-CD1 4.47Å; L157-L187 HydrophobicContact CD1-CD1 4Å; L157-L187 HydrophobicContact CG-CD1 4.29Å; L187-I189 HydrophobicContact CD1-CG1 4.17Å; L187-I189 HydrophobicContact CD2-CD1 4.12Å; L187-I189 HydrophobicContact CD2-CG1 4.34Å; L187-I189 HydrophobicContact CG-CD1 4.31Å; L187-I189 HydrophobicContact CG-CG1 3.98Å; L187-L201 HydrophobicContact CD2-CD2 3.71Å; L187-I209 HydrophobicContact CD2-CD1 4.34Å; L187-E211 PolarHBondContact N-O 2.78Å; L187-V212 HydrophobicContact CB-CG2 4.38Å; L187-V212 HydrophobicContact CD2-CG2 4.48Å; L187-V212 CarbonylContact O-C 3.52Å; L187-V212 WeakPolarHBondContact O-CA 3.25Å; L187-E213 PolarHBondContact O-N 3.01Å; L187-M233 HydrophobicContact CD2-CE 4.46Å |
| 188 | K | 95.1 | Very high | 90.7 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.1 | 170.9 | -60 | -163.8 | 176.1 | -133.7 | 0 | 110 | L155 W156 L157 E213 | L155-K188 PolarHBondContact O-N 2.97Å; W156-K188 HydrophobicContact CD2-CD 4.16Å; W156-K188 HydrophobicContact CE3-CD 4.48Å; W156-K188 HydrophobicContact CZ2-CD 4.24Å; L157-K188 PolarHBondContact N-O 2.84Å; K188-E213 CarbonylContact C-O 3.58Å; K188-E213 WeakPolarHBondContact CA-O 3.33Å; K188-E213 WeakPolarHBondContact CE-OE2 3.41Å; K188-E213 HydrophobicContact CG-CB 4.19Å; K188-E213 IonicContact NZ-OE1 2.67Å; K188-E213 IonicContact NZ-OE2 3.65Å; K188-E213 PolarHBondContact NZ-OE2 3.27Å |
| 189 | I | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 104.7 | 180 | -49.3 | -176.1 | 0 | 0 | 0 | 108.3 | L157 L187 I197 E213 V214 N215 C216 W218 F226 | L157-I189 HydrophobicContact CD1-CG1 4.42Å; L187-I189 HydrophobicContact CD1-CG1 4.17Å; L187-I189 HydrophobicContact CD2-CD1 4.12Å; L187-I189 HydrophobicContact CD2-CG1 4.34Å; L187-I189 HydrophobicContact CG-CD1 4.31Å; L187-I189 HydrophobicContact CG-CG1 3.98Å; I189-I197 HydrophobicContact CD1-CD1 4.47Å; I189-I197 HydrophobicContact CD1-CG2 3.96Å; I189-I197 HydrophobicContact CG2-CD1 3.26Å; I189-I197 HydrophobicContact CG2-CG1 4.19Å; I189-E213 PolarHBondContact N-O 3.32Å; I189-V214 HydrophobicContact CD1-CG2 4.19Å; I189-N215 CarbonylContact O-C 3.57Å; I189-N215 PolarHBondContact O-N 3.01Å; I189-C216 PolarHBondContact O-SG 2.99Å; I189-C216 VanDerWaalsContact O-SG 3.32Å; I189-W218 HydrophobicContact CD1-CH2 4.12Å; I189-W218 HydrophobicContact CD1-CZ2 4.41Å; I189-W218 HydrophobicContact CG2-CZ2 4.04Å; I189-F226 HydrophobicContact CD1-CE2 4.34Å |
| 190 | L | 89.6 | Confident | 91.5 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 99.2 | 178.8 | -39.3 | 179.6 | 0 | 0 | 0 | 108.3 | L157 K158 M192 N215 | L157-L190 CarbonylContact O-C 3.58Å; L157-L190 PolarHBondContact O-N 2.9Å; K158-L190 CarbonylContact C-O 3.17Å; K158-L190 WeakPolarHBondContact CA-O 3.47Å; K158-L190 HydrophobicContact CD-CD1 3.93Å; K158-L190 HydrophobicContact CG-CB 4.31Å; K158-L190 HydrophobicContact CG-CD1 3.76Å; K158-L190 HydrophobicContact CG-CG 4.21Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 2.88Å; L190-N215 WeakPolarHBondContact CA-O 3.49Å; L190-N215 HydrophobicContact CD2-CB 3.68Å |
| 191 | G | 84.4 | Confident | 91.8 | Very high | 55 Ų | 55 | 37.9 Ų | 37.9 | 57% | 0.567 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 70 | -4.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | C216 | G191-C216 PolarHBondContact N-SG 3.26Š|
| 192 | M | 88.8 | Confident | 92 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -65.6 | 139.1 | 176.8 | -175.6 | 174.7 | -75.8 | 0 | 0 | 111.8 | L157 N159 L162 L190 F194 N196 I197 I200 | L157-M192 HydrophobicContact CB-CB 4.05Å; L157-M192 HydrophobicContact CB-CE 3.98Å; L157-M192 HydrophobicContact CB-SD 3.89Å; L157-M192 HydrophobicContact CD1-SD 4.21Å; L157-M192 HydrophobicContact CD2-CE 4.16Å; L157-M192 HydrophobicContact CD2-SD 4.18Å; L157-M192 HydrophobicContact CG-SD 4.32Å; N159-M192 VanDerWaalsContact O-CE 3.25Å; N159-M192 WeakPolarHBondContact O-CE 3.1Å; L162-M192 HydrophobicContact CD2-CE 3.8Å; L162-M192 HydrophobicContact CG-CE 4.02Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 2.88Å; M192-F194 PolarHBondContact O-N 3.28Å; M192-N196 HydrophobicContact CG-CB 4.02Å; M192-N196 HydrophobicContact SD-CB 3.84Å; M192-I197 HydrophobicContact CB-CD1 4.12Å; M192-I197 HydrophobicContact CB-CG1 4Å; M192-I197 HydrophobicContact CG-CD1 4.5Å; M192-I197 HydrophobicContact CG-CG1 3.92Å; M192-I197 WeakPolarHBondContact O-CD1 3.41Å; M192-I197 HydrophobicContact SD-CG1 4.08Å; M192-I200 HydrophobicContact SD-CD1 4.04Å | ||
| 193 | P | 88.6 | Confident | 92 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 29% | 0.286 | 22% | 0.218 | S | C | . | . | trans | -60.6 | 135.1 | 175.8 | -25.3 | 34.8 | 0 | 0 | 0 | 112.7 | R195 N196 I197 | P193-R195 HydrophobicContact CB-CG 4.23Å; P193-R195 PolarHBondContact O-N 3.46Å; P193-R195 VanDerWaalsContact O-N 3.09Å; P193-N196 WeakPolarHBondContact O-CB 3.38Å; P193-N196 PolarHBondContact O-N 3.13Å; P193-I197 PolarHBondContact O-N 2.82Å | ||
| 194 | F | 89.6 | Confident | 92 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.9 | -32.3 | -175.2 | -172.9 | -100.3 | 0 | 0 | 0 | 114.3 | M192 N196 I197 R198 W218 I222 Q225 F226 Y229 | M192-F194 PolarHBondContact O-N 3.28Å; F194-N196 VanDerWaalsContact C-N 3.25Å; F194-N196 PolarHBondContact O-N 3.21Å; F194-I197 HydrophobicContact CD2-CB 4.42Å; F194-I197 PolarHBondContact O-N 3.11Å; F194-R198 HydrophobicContact CD1-CB 4.41Å; F194-R198 HydrophobicContact CE1-CB 4.02Å; F194-R198 HydrophobicContact CE1-CG 4.39Å; F194-R198 HydrophobicContact CZ-CB 4.34Å; F194-R198 VanDerWaalsContact O-CB 3.24Å; F194-R198 WeakPolarHBondContact O-CB 3.16Å; F194-R198 PolarHBondContact O-N 2.73Å; F194-W218 HydrophobicContact CD2-CH2 4.21Å; F194-W218 HydrophobicContact CD2-CZ2 4.04Å; F194-W218 HydrophobicContact CE2-CH2 4.42Å; F194-I222 HydrophobicContact CB-CG2 3.72Å; F194-I222 HydrophobicContact CD2-CG2 4.02Å; F194-I222 HydrophobicContact CG-CG2 3.84Å; F194-Q225 HydrophobicContact CD1-CB 4.04Å; F194-Q225 HydrophobicContact CE1-CB 3.38Å; F194-Q225 HydrophobicContact CE1-CG 4.43Å; F194-Q225 HydrophobicContact CZ-CB 3.84Å; F194-Q225 WeakPolarHBondContact CZ-O 3.46Å; F194-F226 HydrophobicContact CE2-CB 3.65Å; F194-F226 AromaticContact CE2-CD2 3.99Å; F194-F226 HydrophobicContact CE2-CD2 3.99Å; F194-F226 HydrophobicContact CE2-CG 4.29Å; F194-F226 HydrophobicContact CZ-CB 4.11Å; F194-Y229 HydrophobicContact CZ-CD2 4.41Å; F194-Y229 HydrophobicContact CZ-CE2 4.24Å |
| 195 | R | 90.8 | Very high | 91.9 | Very high | 182 Ų | 182 | 47 Ų | 47 | 69% | 0.687 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -56.4 | -38.5 | 175 | 66.4 | 178.4 | -174.2 | -169.7 | -1.4 | 113.1 | P193 S199 | P193-R195 HydrophobicContact CB-CG 4.23Å; P193-R195 PolarHBondContact O-N 3.46Å; P193-R195 VanDerWaalsContact O-N 3.09Å; R195-S199 PolarHBondContact O-N 2.85Å |
| 196 | N | 90.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 46 Ų | 46 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -75.6 | -46.8 | 179.7 | -67.4 | 3.7 | 0 | 0 | 0 | 109.4 | R160 M192 P193 F194 R198 S199 I200 | R160-N196 PolarHBondContact O-ND2 3.17Å; M192-N196 HydrophobicContact CG-CB 4.02Å; M192-N196 HydrophobicContact SD-CB 3.84Å; P193-N196 WeakPolarHBondContact O-CB 3.38Å; P193-N196 PolarHBondContact O-N 3.13Å; F194-N196 VanDerWaalsContact C-N 3.25Å; F194-N196 PolarHBondContact O-N 3.21Å; N196-R198 VanDerWaalsContact C-N 3.28Å; N196-R198 PolarHBondContact O-N 2.82Å; N196-S199 WeakPolarHBondContact O-CB 3.21Å; N196-S199 PolarHBondContact O-N 2.06Å; N196-I200 WeakPolarHBondContact O-CG1 3.2Å; N196-I200 PolarHBondContact O-N 2.9Å |
| 197 | I | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -52.9 | -48.9 | 175.3 | -60.5 | 169.4 | 0 | 0 | 0 | 110.2 | L157 I189 M192 P193 F194 S199 I200 L201 W218 | L157-I197 HydrophobicContact CD1-CB 4.45Å; L157-I197 HydrophobicContact CD1-CG1 3.99Å; L157-I197 HydrophobicContact CD1-CG2 4.26Å; I189-I197 HydrophobicContact CD1-CD1 4.47Å; I189-I197 HydrophobicContact CD1-CG2 3.96Å; I189-I197 HydrophobicContact CG2-CD1 3.26Å; I189-I197 HydrophobicContact CG2-CG1 4.19Å; M192-I197 HydrophobicContact CB-CD1 4.12Å; M192-I197 HydrophobicContact CB-CG1 4Å; M192-I197 HydrophobicContact CG-CD1 4.5Å; M192-I197 HydrophobicContact CG-CG1 3.92Å; M192-I197 WeakPolarHBondContact O-CD1 3.41Å; M192-I197 HydrophobicContact SD-CG1 4.08Å; P193-I197 PolarHBondContact O-N 2.82Å; F194-I197 HydrophobicContact CD2-CB 4.42Å; F194-I197 PolarHBondContact O-N 3.11Å; I197-S199 VanDerWaalsContact C-N 3.28Å; I197-S199 PolarHBondContact O-N 3.31Å; I197-I200 WeakPolarHBondContact O-CB 3.39Å; I197-I200 PolarHBondContact O-N 3.17Å; I197-L201 HydrophobicContact CG2-CD1 3.72Å; I197-L201 HydrophobicContact CG2-CG 4.07Å; I197-L201 WeakPolarHBondContact O-CG 3.35Å; I197-L201 PolarHBondContact O-N 3.04Å; I197-W218 HydrophobicContact CD1-CZ2 3.91Å |
| 198 | R | 94 | Very high | 91.9 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 36% | 0.362 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.3 | -40.6 | 177.7 | -174.8 | 172 | 66.6 | -171.1 | 3.5 | 112.2 | F194 N196 I200 K202 Y229 | F194-R198 HydrophobicContact CD1-CB 4.41Å; F194-R198 HydrophobicContact CE1-CB 4.02Å; F194-R198 HydrophobicContact CE1-CG 4.39Å; F194-R198 HydrophobicContact CZ-CB 4.34Å; F194-R198 VanDerWaalsContact O-CB 3.24Å; F194-R198 WeakPolarHBondContact O-CB 3.16Å; F194-R198 PolarHBondContact O-N 2.73Å; N196-R198 VanDerWaalsContact C-N 3.28Å; N196-R198 PolarHBondContact O-N 2.82Å; R198-I200 VanDerWaalsContact C-N 3.31Å; R198-K202 WeakPolarHBondContact O-CG 3.24Å; R198-K202 PolarHBondContact O-N 2.76Å; R198-Y229 HydrophobicContact CG-CE2 4.37Å; R198-Y229 VanDerWaalsContact CG-OH 3.31Å; R198-Y229 WeakPolarHBondContact CG-OH 3.31Å |
| 199 | S | 92.3 | Very high | 91.9 | Very high | 59 Ų | 59 | 44 Ų | 44 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.1 | -38.1 | 176.2 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | R195 N196 I197 M203 | R195-S199 PolarHBondContact O-N 2.85Å; N196-S199 WeakPolarHBondContact O-CB 3.21Å; N196-S199 PolarHBondContact O-N 2.06Å; I197-S199 VanDerWaalsContact C-N 3.28Å; I197-S199 PolarHBondContact O-N 3.31Å; S199-M203 WeakPolarHBondContact O-CE 3.46Å |
| 200 | I | 92.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70 | -47 | 179.1 | -61.6 | 169.7 | 0 | 0 | 0 | 110.5 | L155 L157 L162 L170 M192 N196 I197 R198 K202 M203 V204 | L155-I200 HydrophobicContact CD1-CG2 3.87Å; L157-I200 HydrophobicContact CD1-CD1 4.14Å; L157-I200 HydrophobicContact CD2-CD1 3.68Å; L162-I200 HydrophobicContact CD1-CD1 4.11Å; L162-I200 HydrophobicContact CD2-CD1 4.06Å; L162-I200 HydrophobicContact CG-CD1 4.48Å; L170-I200 HydrophobicContact CD1-CD1 4.18Å; L170-I200 HydrophobicContact CD1-CG1 3.98Å; L170-I200 HydrophobicContact CD1-CG2 4.37Å; L170-I200 HydrophobicContact CD2-CG2 4.44Å; M192-I200 HydrophobicContact SD-CD1 4.04Å; N196-I200 WeakPolarHBondContact O-CG1 3.2Å; N196-I200 PolarHBondContact O-N 2.9Å; I197-I200 WeakPolarHBondContact O-CB 3.39Å; I197-I200 PolarHBondContact O-N 3.17Å; R198-I200 VanDerWaalsContact C-N 3.31Å; I200-K202 PolarHBondContact O-N 2.84Å; I200-M203 WeakPolarHBondContact O-CB 3.36Å; I200-M203 PolarHBondContact O-N 3.26Å; I200-V204 HydrophobicContact CG2-CG2 4.24Å; I200-V204 WeakPolarHBondContact O-CG2 3.45Å; I200-V204 PolarHBondContact O-N 2.89Å |
| 201 | L | 94.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -27.5 | 179.9 | -67.7 | 175.6 | 0 | 0 | 0 | 113 | L187 I197 M203 L206 F226 Y229 M233 | L187-L201 HydrophobicContact CD2-CD2 3.71Å; I197-L201 HydrophobicContact CG2-CD1 3.72Å; I197-L201 HydrophobicContact CG2-CG 4.07Å; I197-L201 WeakPolarHBondContact O-CG 3.35Å; I197-L201 PolarHBondContact O-N 3.04Å; L201-M203 VanDerWaalsContact C-N 3.25Å; L201-M203 PolarHBondContact O-N 3.43Å; L201-L206 HydrophobicContact CB-CD2 4.3Å; L201-L206 HydrophobicContact CD2-CD2 3.9Å; L201-F226 HydrophobicContact CD1-CD2 4.2Å; L201-F226 HydrophobicContact CD1-CE2 4.06Å; L201-Y229 HydrophobicContact CB-CD1 3.76Å; L201-Y229 HydrophobicContact CB-CE1 4.01Å; L201-Y229 HydrophobicContact CD1-CD1 4.01Å; L201-Y229 HydrophobicContact CD1-CD2 4.45Å; L201-Y229 HydrophobicContact CD1-CG 3.92Å; L201-M233 HydrophobicContact CD2-CE 4.44Å |
| 202 | K | 93 | Very high | 93.1 | Very high | 144 Ų | 144 | 45.8 Ų | 45.8 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.1 | 172.8 | -75 | 178.5 | 176.9 | -167.7 | 0 | 114.1 | R198 I200 | R198-K202 WeakPolarHBondContact O-CG 3.24Å; R198-K202 PolarHBondContact O-N 2.76Å; I200-K202 PolarHBondContact O-N 2.84Å |
| 203 | M | 91.8 | Very high | 93.5 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -17.7 | 178.9 | -62.4 | -176.7 | -112.1 | 0 | 0 | 112.6 | K174 S199 I200 L201 | K174-M203 HydrophobicContact CB-SD 3.97Å; K174-M203 HydrophobicContact CG-SD 4.39Å; S199-M203 WeakPolarHBondContact O-CE 3.46Å; I200-M203 WeakPolarHBondContact O-CB 3.36Å; I200-M203 PolarHBondContact O-N 3.26Å; L201-M203 VanDerWaalsContact C-N 3.25Å; L201-M203 PolarHBondContact O-N 3.43Å |
| 204 | V | 92.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -94.8 | 138.3 | -176 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | L155 L182 C184 I200 L206 I209 | L155-V204 HydrophobicContact CD1-CG2 3.72Å; L182-V204 HydrophobicContact CD2-CG2 3.76Å; L182-V204 HydrophobicContact CG-CG2 4.24Å; C184-V204 HydrophobicContact CB-CG1 3.58Å; I200-V204 HydrophobicContact CG2-CG2 4.24Å; I200-V204 WeakPolarHBondContact O-CG2 3.45Å; I200-V204 PolarHBondContact O-N 2.89Å; V204-L206 PolarHBondContact O-N 3.19Å; V204-L206 VanDerWaalsContact O-N 3.17Å; V204-I209 HydrophobicContact CG1-CD1 4.37Å |
| 205 | N | 92.3 | Very high | 94 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -70.4 | 110.1 | 164.5 | -176.1 | -10.9 | 0 | 0 | 0 | 109.5 | H181 L182 D207 C208 | H181-N205 PolarHBondContact CE1-ND2 3.25Å; H181-N205 WeakPolarHBondContact NE2-CB 3.38Å; H181-N205 PolarHBondContact NE2-ND2 3.18Å; L182-N205 PolarHBondContact O-N 3.13Å; N205-D207 VanDerWaalsContact C-N 3.3Å; N205-D207 PolarHBondContact O-N 2.88Å; N205-D207 WeakPolarHBondContact OD1-CB 3.43Å; N205-D207 PolarHBondContact OD1-N 3.13Å; N205-C208 WeakPolarHBondContact O-CB 3.47Å; N205-C208 PolarHBondContact O-N 3.11Å |
| 206 | L | 94.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -68.6 | -26.3 | -177.8 | -57.5 | 177 | 0 | 0 | 0 | 113.1 | L201 V204 C208 I209 Y229 H232 M233 | L201-L206 HydrophobicContact CB-CD2 4.3Å; L201-L206 HydrophobicContact CD2-CD2 3.9Å; V204-L206 PolarHBondContact O-N 3.19Å; V204-L206 VanDerWaalsContact O-N 3.17Å; L206-C208 PolarHBondContact O-N 3.01Å; L206-I209 HydrophobicContact CD2-CD1 3.76Å; L206-I209 WeakPolarHBondContact O-CB 3.35Å; L206-I209 PolarHBondContact O-N 3.06Å; L206-I209 VanDerWaalsContact O-N 3.13Å; L206-Y229 HydrophobicContact CD1-CD1 3.96Å; L206-H232 HydrophobicContact CB-CB 4.15Å; L206-H232 HydrophobicContact CD1-CB 3.72Å; L206-M233 HydrophobicContact CB-CG 4.2Å; L206-M233 HydrophobicContact CD2-CE 4.18Å |
| 207 | D | 92.8 | Very high | 93.5 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 34% | 0.342 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -67.7 | -20.3 | 175.6 | -72.3 | -41.8 | 0 | 0 | 0 | 111.9 | N205 I209 H232 N235 | N205-D207 VanDerWaalsContact C-N 3.3Å; N205-D207 PolarHBondContact O-N 2.88Å; N205-D207 WeakPolarHBondContact OD1-CB 3.43Å; N205-D207 PolarHBondContact OD1-N 3.13Å; D207-I209 VanDerWaalsContact C-N 3.27Å; D207-I209 PolarHBondContact O-N 3.32Å; D207-H232 VanDerWaalsContact OD1-O 3.13Å; D207-N235 WeakPolarHBondContact O-CB 3.36Å; D207-N235 PolarHBondContact O-ND2 2.8Å |
| 208 | C | 94 | Very high | 93.2 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 14% | 0.142 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -74.8 | -14.7 | 174.9 | -89.4 | 0 | 0 | 0 | 0 | 113.3 | C183 C184 N205 L206 | C183-C208 HydrophobicContact CB-CB 3.56Å; C183-C208 WeakPolarHBondContact CB-SG 3.37Å; C183-C208 WeakPolarHBondContact SG-CB 3.15Å; C183-C208 CovalentContact SG-SG 2.06Å; C183-C208 PolarHBondContact SG-SG 3.32Å; C184-C208 CarbonylContact O-C 3.6Å; C184-C208 VanDerWaalsContact O-O 3.1Å; N205-C208 WeakPolarHBondContact O-CB 3.47Å; N205-C208 PolarHBondContact O-N 3.11Å; L206-C208 PolarHBondContact O-N 3.01Å |
| 209 | I | 96.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -78.2 | 126 | -173.5 | -60.4 | 173.7 | 0 | 0 | 0 | 110.5 | C184 L187 V204 L206 D207 V212 M233 N235 L236 | C184-I209 HydrophobicContact CB-CG1 4.34Å; C184-I209 WeakPolarHBondContact O-CA 3.4Å; C184-I209 VanDerWaalsContact O-CG1 3.24Å; C184-I209 WeakPolarHBondContact O-CG1 3.12Å; C184-I209 PolarHBondContact O-N 3.02Å; L187-I209 HydrophobicContact CD2-CD1 4.34Å; V204-I209 HydrophobicContact CG1-CD1 4.37Å; L206-I209 HydrophobicContact CD2-CD1 3.76Å; L206-I209 WeakPolarHBondContact O-CB 3.35Å; L206-I209 PolarHBondContact O-N 3.06Å; L206-I209 VanDerWaalsContact O-N 3.13Å; D207-I209 VanDerWaalsContact C-N 3.27Å; D207-I209 PolarHBondContact O-N 3.32Å; I209-V212 HydrophobicContact CG2-CG2 3.45Å; I209-V212 VanDerWaalsContact CG2-CG2 3.45Å; I209-M233 HydrophobicContact CB-CG 4.25Å; I209-M233 HydrophobicContact CB-SD 4.46Å; I209-M233 HydrophobicContact CD1-CE 3.86Å; I209-M233 HydrophobicContact CD1-CG 4.15Å; I209-M233 HydrophobicContact CD1-SD 4.11Å; I209-M233 HydrophobicContact CG2-CG 4.49Å; I209-M233 HydrophobicContact CG2-SD 4.11Å; I209-N235 CarbonylContact O-C 3.56Å; I209-L236 HydrophobicContact CG2-CD1 4.18Å; I209-L236 PolarHBondContact O-N 2.94Å | ||
| 210 | Q | 96.8 | Very high | 92.6 | Very high | 68 Ų | 68 | 42 Ų | 42 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | trans | -114.5 | -28.9 | -179.7 | -64.5 | -179.9 | -2.6 | 0 | 0 | 112.4 | K185 Q237 K238 | K185-Q210 PolarHBondContact O-N 2.85Å; Q210-Q237 PolarHBondContact O-N 2.79Å; Q210-K238 PolarHBondContact O-N 3.08Å; Q210-K238 VanDerWaalsContact O-N 3.09Å | ||
| 211 | E | 98.2 | Very high | 92.3 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.7 | 177 | -51.3 | -174 | -153.9 | 0 | 0 | 111 | K185 K186 L187 K238 | K185-E211 PolarHBondContact O-N 3.33Å; K186-E211 WeakPolarHBondContact CA-O 3.32Å; K186-E211 WeakPolarHBondContact CE-OE1 3.13Å; K186-E211 HydrophobicContact CG-CB 4.13Å; K186-E211 HydrophobicContact CG-CG 4.26Å; L187-E211 PolarHBondContact N-O 2.78Å; E211-K238 WeakPolarHBondContact CA-O 3.36Å; E211-K238 HydrophobicContact CB-CB 4.24Å; E211-K238 HydrophobicContact CG-CB 4.02Å; E211-K238 HydrophobicContact CG-CD 4.48Å |
| 212 | V | 97.9 | Very high | 92 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.3 | 174.2 | 174 | 0 | 0 | 0 | 0 | 109.5 | L187 I209 V214 F226 M233 L236 K238 L239 V240 | L187-V212 HydrophobicContact CB-CG2 4.38Å; L187-V212 HydrophobicContact CD2-CG2 4.48Å; L187-V212 CarbonylContact O-C 3.52Å; L187-V212 WeakPolarHBondContact O-CA 3.25Å; I209-V212 HydrophobicContact CG2-CG2 3.45Å; I209-V212 VanDerWaalsContact CG2-CG2 3.45Å; V212-V214 HydrophobicContact CG1-CG2 3.75Å; V212-F226 HydrophobicContact CG1-CZ 4.35Å; V212-M233 HydrophobicContact CG2-CE 4.45Å; V212-M233 HydrophobicContact CG2-SD 3.57Å; V212-M233 VanDerWaalsContact CG2-SD 3.57Å; V212-L236 HydrophobicContact CB-CD1 3.97Å; V212-L236 HydrophobicContact CG2-CD1 3.54Å; V212-K238 PolarHBondContact N-O 3.38Å; V212-L239 HydrophobicContact CB-CD1 3.91Å; V212-L239 HydrophobicContact CG1-CD1 3.9Å; V212-L239 CarbonylContact O-C 3.59Å; V212-V240 PolarHBondContact O-N 2.91Å |
| 213 | E | 97.4 | Very high | 91.8 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 20% | 0.201 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.2 | 170.4 | -176.8 | -177.7 | 147.1 | 0 | 0 | 109.3 | L187 K188 I189 V240 | L187-E213 PolarHBondContact O-N 3.01Å; K188-E213 CarbonylContact C-O 3.58Å; K188-E213 WeakPolarHBondContact CA-O 3.33Å; K188-E213 WeakPolarHBondContact CE-OE2 3.41Å; K188-E213 HydrophobicContact CG-CB 4.19Å; K188-E213 IonicContact NZ-OE1 2.67Å; K188-E213 IonicContact NZ-OE2 3.65Å; K188-E213 PolarHBondContact NZ-OE2 3.27Å; I189-E213 PolarHBondContact N-O 3.32Å; E213-V240 HydrophobicContact CB-CB 4.15Å; E213-V240 HydrophobicContact CG-CB 3.96Å; E213-V240 HydrophobicContact CG-CG1 4.05Å |
| 214 | V | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 102.2 | 174.8 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | I189 V212 C216 W218 F226 V240 L241 S242 M244 | I189-V214 HydrophobicContact CD1-CG2 4.19Å; V212-V214 HydrophobicContact CG1-CG2 3.75Å; V214-C216 HydrophobicContact CG1-CB 4.38Å; V214-W218 HydrophobicContact CG1-CD2 4.04Å; V214-W218 HydrophobicContact CG1-CE3 3.74Å; V214-W218 HydrophobicContact CG1-CH2 3.64Å; V214-W218 HydrophobicContact CG1-CZ2 3.94Å; V214-W218 HydrophobicContact CG1-CZ3 3.53Å; V214-W218 HydrophobicContact CG2-CH2 4.37Å; V214-W218 HydrophobicContact CG2-CZ3 4.39Å; V214-F226 HydrophobicContact CG2-CE1 4.27Å; V214-F226 HydrophobicContact CG2-CZ 4.28Å; V214-V240 PolarHBondContact N-O 3.43Å; V214-L241 HydrophobicContact CB-CD2 4.29Å; V214-L241 HydrophobicContact CG2-CD2 4.34Å; V214-L241 CarbonylContact O-C 3.56Å; V214-S242 PolarHBondContact O-N 3.29Å; V214-M244 HydrophobicContact CB-CE 3.89Å; V214-M244 HydrophobicContact CG1-CE 3.62Å |
| 215 | N | 91.9 | Very high | 91.8 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 84.1 | 173.9 | 178 | -15.1 | 0 | 0 | 0 | 107.8 | I189 L190 H243 | I189-N215 CarbonylContact O-C 3.57Å; I189-N215 PolarHBondContact O-N 3.01Å; L190-N215 WeakPolarHBondContact CA-O 3.49Å; L190-N215 HydrophobicContact CD2-CB 3.68Å; N215-H243 PolarHBondContact OD1-CD2 3.3Å |
| 216 | C | 85.4 | Confident | 91.8 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 143.3 | -176.1 | -68.1 | 0 | 0 | 0 | 0 | 108.8 | I189 G191 V214 W218 S242 | I189-C216 PolarHBondContact O-SG 2.99Å; I189-C216 VanDerWaalsContact O-SG 3.32Å; G191-C216 PolarHBondContact N-SG 3.26Å; V214-C216 HydrophobicContact CG1-CB 4.38Å; C216-W218 HydrophobicContact CB-CD2 4.18Å; C216-W218 HydrophobicContact CB-CG 3.86Å; C216-W218 VanDerWaalsContact CB-NE1 3.26Å; C216-W218 PolarHBondContact O-N 3.28Å; C216-S242 PolarHBondContact N-O 3.17Å; C216-S242 VanDerWaalsContact O-O 3.12Å |
| 217 | K | 86.4 | Confident | 91.8 | Very high | 191 Ų | 191 | 39.9 Ų | 39.9 | 83% | 0.83 | 20% | 0.203 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 62.2 | 169.5 | -62.6 | -175.4 | -180 | -175.7 | 0 | 111 | H243 | K217-H243 WeakPolarHBondContact CA-O 3.32Å; K217-H243 HydrophobicContact CG-CB 4.3Å |
| 218 | W | 87.1 | Confident | 91.9 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.4 | 179.3 | -76 | -0.6 | 0 | 0 | 0 | 110 | I189 F194 I197 V214 C216 I222 L223 F226 M244 D245 | I189-W218 HydrophobicContact CD1-CH2 4.12Å; I189-W218 HydrophobicContact CD1-CZ2 4.41Å; I189-W218 HydrophobicContact CG2-CZ2 4.04Å; F194-W218 HydrophobicContact CD2-CH2 4.21Å; F194-W218 HydrophobicContact CD2-CZ2 4.04Å; F194-W218 HydrophobicContact CE2-CH2 4.42Å; I197-W218 HydrophobicContact CD1-CZ2 3.91Å; V214-W218 HydrophobicContact CG1-CD2 4.04Å; V214-W218 HydrophobicContact CG1-CE3 3.74Å; V214-W218 HydrophobicContact CG1-CH2 3.64Å; V214-W218 HydrophobicContact CG1-CZ2 3.94Å; V214-W218 HydrophobicContact CG1-CZ3 3.53Å; V214-W218 HydrophobicContact CG2-CH2 4.37Å; V214-W218 HydrophobicContact CG2-CZ3 4.39Å; C216-W218 HydrophobicContact CB-CD2 4.18Å; C216-W218 HydrophobicContact CB-CG 3.86Å; C216-W218 VanDerWaalsContact CB-NE1 3.26Å; C216-W218 PolarHBondContact O-N 3.28Å; W218-I222 HydrophobicContact CB-CB 4.41Å; W218-I222 HydrophobicContact CB-CG2 4.35Å; W218-I222 HydrophobicContact CD2-CG2 3.76Å; W218-I222 HydrophobicContact CE3-CG2 4.32Å; W218-I222 HydrophobicContact CG-CB 4.33Å; W218-I222 HydrophobicContact CG-CG2 3.76Å; W218-L223 HydrophobicContact CE3-CD1 4.41Å; W218-F226 HydrophobicContact CH2-CB 4.07Å; W218-F226 HydrophobicContact CH2-CD1 4.25Å; W218-F226 AromaticContact CH2-CD2 3.91Å; W218-F226 HydrophobicContact CH2-CD2 3.91Å; W218-F226 HydrophobicContact CH2-CE2 4.41Å; W218-F226 AromaticContact CH2-CG 3.8Å; W218-F226 HydrophobicContact CH2-CG 3.8Å; W218-F226 HydrophobicContact CZ3-CB 3.65Å; W218-F226 AromaticContact CZ3-CD1 3.69Å; W218-F226 HydrophobicContact CZ3-CD1 3.69Å; W218-F226 HydrophobicContact CZ3-CD2 4.14Å; W218-F226 HydrophobicContact CZ3-CE1 4.35Å; W218-F226 AromaticContact CZ3-CG 3.54Å; W218-F226 HydrophobicContact CZ3-CG 3.54Å; W218-M244 HydrophobicContact CE3-CE 4.26Å; W218-D245 PolarHBondContact O-N 2.9Å |
| 219 | V | 86.8 | Confident | 92 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 36% | 0.358 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 156.9 | 165 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | I222 L223 | V219-I222 HydrophobicContact CG2-CD1 3.97Å; V219-I222 HydrophobicContact CG2-CG1 4.03Å; V219-I222 WeakPolarHBondContact O-CB 3.36Å; V219-I222 PolarHBondContact O-N 3.44Å; V219-L223 PolarHBondContact O-N 3.04Å |
| 220 | L | 85.2 | Confident | 92 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -45.7 | -45.9 | -178.4 | -77.1 | -177.2 | 0 | 0 | 0 | 115.6 | I222 L223 T224 V246 V250 K255 I258 F282 | L220-I222 VanDerWaalsContact C-N 3.25Å; L220-I222 PolarHBondContact O-N 3.09Å; L220-L223 HydrophobicContact CD2-CD2 4.05Å; L220-L223 WeakPolarHBondContact O-CA 3.28Å; L220-L223 WeakPolarHBondContact O-CB 3.1Å; L220-L223 PolarHBondContact O-N 3.46Å; L220-T224 PolarHBondContact O-N 2.78Å; L220-T224 PolarHBondContact O-OG1 3.5Å; L220-T224 VanDerWaalsContact O-OG1 3.05Å; L220-V246 HydrophobicContact CD1-CB 4.45Å; L220-V246 HydrophobicContact CD1-CG1 3.99Å; L220-V246 HydrophobicContact CD1-CG2 4.3Å; L220-V250 HydrophobicContact CD1-CB 4.5Å; L220-V250 HydrophobicContact CD1-CG1 4.06Å; L220-V250 HydrophobicContact CD1-CG2 4.43Å; L220-K255 HydrophobicContact CD1-CG 4.37Å; L220-I258 HydrophobicContact CB-CD1 4.02Å; L220-I258 HydrophobicContact CB-CG2 4.35Å; L220-I258 HydrophobicContact CD1-CD1 4.47Å; L220-I258 HydrophobicContact CD2-CG2 3.91Å; L220-F282 HydrophobicContact CD1-CB 4.44Å; L220-F282 HydrophobicContact CD2-CB 3.53Å; L220-F282 HydrophobicContact CD2-CD1 4.29Å; L220-F282 HydrophobicContact CD2-CD2 4Å; L220-F282 HydrophobicContact CD2-CG 3.69Å; L220-F282 HydrophobicContact CG-CB 4.3Å |
| 221 | P | 86.3 | Confident | 92 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 43% | 0.429 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.5 | -28.3 | 178.5 | -26.9 | 35.5 | 0 | 0 | 0 | 115.1 | Q225 | P221-Q225 WeakPolarHBondContact O-CG 2.99Å; P221-Q225 PolarHBondContact O-N 3.45Å; P221-Q225 PolarHBondContact O-NE2 2.95Å |
| 222 | I | 89.1 | Confident | 91.8 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 25% | 0.246 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75 | -42.3 | 174.7 | -62.7 | 174.9 | 0 | 0 | 0 | 109.3 | F194 W218 V219 L220 T224 Q225 F226 | F194-I222 HydrophobicContact CB-CG2 3.72Å; F194-I222 HydrophobicContact CD2-CG2 4.02Å; F194-I222 HydrophobicContact CG-CG2 3.84Å; W218-I222 HydrophobicContact CB-CB 4.41Å; W218-I222 HydrophobicContact CB-CG2 4.35Å; W218-I222 HydrophobicContact CD2-CG2 3.76Å; W218-I222 HydrophobicContact CE3-CG2 4.32Å; W218-I222 HydrophobicContact CG-CB 4.33Å; W218-I222 HydrophobicContact CG-CG2 3.76Å; V219-I222 HydrophobicContact CG2-CD1 3.97Å; V219-I222 HydrophobicContact CG2-CG1 4.03Å; V219-I222 WeakPolarHBondContact O-CB 3.36Å; V219-I222 PolarHBondContact O-N 3.44Å; L220-I222 VanDerWaalsContact C-N 3.25Å; L220-I222 PolarHBondContact O-N 3.09Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 3.27Å; I222-Q225 PolarHBondContact O-N 3.11Å; I222-Q225 VanDerWaalsContact O-N 3.12Å; I222-F226 PolarHBondContact O-N 3.22Å; I222-F226 VanDerWaalsContact O-N 3.09Å |
| 223 | L | 89.3 | Confident | 91.8 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.3 | -47 | 174.5 | -177.2 | 66.3 | 0 | 0 | 0 | 110.7 | W218 V219 L220 Q225 F226 T227 M244 F262 F282 | W218-L223 HydrophobicContact CE3-CD1 4.41Å; V219-L223 PolarHBondContact O-N 3.04Å; L220-L223 HydrophobicContact CD2-CD2 4.05Å; L220-L223 WeakPolarHBondContact O-CA 3.28Å; L220-L223 WeakPolarHBondContact O-CB 3.1Å; L220-L223 PolarHBondContact O-N 3.46Å; L223-Q225 PolarHBondContact O-N 3.23Å; L223-F226 CarbonylContact O-C 3.3Å; L223-F226 WeakPolarHBondContact O-CA 3.44Å; L223-F226 WeakPolarHBondContact O-CB 3.38Å; L223-F226 PolarHBondContact O-N 3.3Å; L223-T227 PolarHBondContact O-N 3.22Å; L223-T227 PolarHBondContact O-OG1 3.14Å; L223-M244 HydrophobicContact CD1-CE 4.29Å; L223-M244 HydrophobicContact CD1-SD 3.91Å; L223-F262 HydrophobicContact CD1-CD2 3.88Å; L223-F262 HydrophobicContact CD1-CE2 3.7Å; L223-F262 HydrophobicContact CD2-CD2 4.11Å; L223-F262 HydrophobicContact CD2-CE2 4.46Å; L223-F262 HydrophobicContact CD2-CG 4.34Å; L223-F262 HydrophobicContact CG-CD2 3.96Å; L223-F262 HydrophobicContact CG-CE2 4.29Å; L223-F282 HydrophobicContact CD2-CD1 4.05Å; L223-F282 HydrophobicContact CD2-CD2 4.23Å; L223-F282 HydrophobicContact CD2-CE1 3.55Å; L223-F282 HydrophobicContact CD2-CE2 3.79Å; L223-F282 HydrophobicContact CD2-CG 4.38Å; L223-F282 HydrophobicContact CD2-CZ 3.44Å; L223-F282 VanDerWaalsContact CD2-CZ 3.44Å |
| 224 | T | 90.3 | Very high | 91.6 | Very high | 35 Ų | 35 | 44 Ų | 44 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.6 | -38.3 | 176.7 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | L220 I222 F226 T227 P228 I258 Q261 | L220-T224 PolarHBondContact O-N 2.78Å; L220-T224 PolarHBondContact O-OG1 3.5Å; L220-T224 VanDerWaalsContact O-OG1 3.05Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 3.27Å; T224-F226 VanDerWaalsContact C-N 3.35Å; T224-T227 WeakPolarHBondContact O-CB 3.32Å; T224-P228 VanDerWaalsContact O-CD 3.27Å; T224-P228 WeakPolarHBondContact O-CD 3.47Å; T224-I258 VanDerWaalsContact OG1-CG2 3.29Å; T224-I258 WeakPolarHBondContact OG1-CG2 3.36Å; T224-Q261 VanDerWaalsContact CG2-OE1 3.31Å |
| 225 | Q | 93.1 | Very high | 91.7 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -72.8 | -28 | 176.5 | -66.9 | 176.4 | 58.8 | 0 | 0 | 113 | F194 P221 I222 L223 Y229 | F194-Q225 HydrophobicContact CD1-CB 4.04Å; F194-Q225 HydrophobicContact CE1-CB 3.38Å; F194-Q225 HydrophobicContact CE1-CG 4.43Å; F194-Q225 HydrophobicContact CZ-CB 3.84Å; F194-Q225 WeakPolarHBondContact CZ-O 3.46Å; P221-Q225 WeakPolarHBondContact O-CG 2.99Å; P221-Q225 PolarHBondContact O-N 3.45Å; P221-Q225 PolarHBondContact O-NE2 2.95Å; I222-Q225 PolarHBondContact O-N 3.11Å; I222-Q225 VanDerWaalsContact O-N 3.12Å; L223-Q225 PolarHBondContact O-N 3.23Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.42Å; Q225-Y229 VanDerWaalsContact O-CE2 3.32Å; Q225-Y229 WeakPolarHBondContact O-CE2 3.19Å |
| 226 | F | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -77.7 | -33.7 | 175 | 178.9 | -110.6 | 0 | 0 | 0 | 112.4 | I189 F194 L201 V212 V214 W218 I222 L223 T224 Y229 L230 M233 | I189-F226 HydrophobicContact CD1-CE2 4.34Å; F194-F226 HydrophobicContact CE2-CB 3.65Å; F194-F226 AromaticContact CE2-CD2 3.99Å; F194-F226 HydrophobicContact CE2-CD2 3.99Å; F194-F226 HydrophobicContact CE2-CG 4.29Å; F194-F226 HydrophobicContact CZ-CB 4.11Å; L201-F226 HydrophobicContact CD1-CD2 4.2Å; L201-F226 HydrophobicContact CD1-CE2 4.06Å; V212-F226 HydrophobicContact CG1-CZ 4.35Å; V214-F226 HydrophobicContact CG2-CE1 4.27Å; V214-F226 HydrophobicContact CG2-CZ 4.28Å; W218-F226 HydrophobicContact CH2-CB 4.07Å; W218-F226 HydrophobicContact CH2-CD1 4.25Å; W218-F226 AromaticContact CH2-CD2 3.91Å; W218-F226 HydrophobicContact CH2-CD2 3.91Å; W218-F226 HydrophobicContact CH2-CE2 4.41Å; W218-F226 AromaticContact CH2-CG 3.8Å; W218-F226 HydrophobicContact CH2-CG 3.8Å; W218-F226 HydrophobicContact CZ3-CB 3.65Å; W218-F226 AromaticContact CZ3-CD1 3.69Å; W218-F226 HydrophobicContact CZ3-CD1 3.69Å; W218-F226 HydrophobicContact CZ3-CD2 4.14Å; W218-F226 HydrophobicContact CZ3-CE1 4.35Å; W218-F226 AromaticContact CZ3-CG 3.54Å; W218-F226 HydrophobicContact CZ3-CG 3.54Å; I222-F226 PolarHBondContact O-N 3.22Å; I222-F226 VanDerWaalsContact O-N 3.09Å; L223-F226 CarbonylContact O-C 3.3Å; L223-F226 WeakPolarHBondContact O-CA 3.44Å; L223-F226 WeakPolarHBondContact O-CB 3.38Å; L223-F226 PolarHBondContact O-N 3.3Å; T224-F226 VanDerWaalsContact C-N 3.35Å; F226-Y229 WeakPolarHBondContact O-CA 3.3Å; F226-Y229 WeakPolarHBondContact O-CB 3.45Å; F226-Y229 PolarHBondContact O-N 3.02Å; F226-L230 HydrophobicContact CD1-CB 4.41Å; F226-L230 HydrophobicContact CE1-CB 3.97Å; F226-L230 HydrophobicContact CE1-CD1 4.41Å; F226-L230 HydrophobicContact CZ-CB 4.44Å; F226-L230 PolarHBondContact O-N 3.09Å; F226-M233 HydrophobicContact CE2-CE 4.19Å; F226-M233 HydrophobicContact CZ-CE 4.16Å |
| 227 | T | 94.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -44.2 | -49.4 | -175.9 | -65.7 | 0 | 0 | 0 | 0 | 114.2 | L223 T224 Y229 L230 G231 Q261 F262 Q265 | L223-T227 PolarHBondContact O-N 3.22Å; L223-T227 PolarHBondContact O-OG1 3.14Å; T224-T227 WeakPolarHBondContact O-CB 3.32Å; T227-Y229 VanDerWaalsContact C-N 3.29Å; T227-Y229 PolarHBondContact O-N 3.25Å; T227-L230 WeakPolarHBondContact O-CB 3.5Å; T227-L230 PolarHBondContact O-N 2.82Å; T227-G231 PolarHBondContact O-N 2.95Å; T227-G231 VanDerWaalsContact O-N 3.16Å; T227-Q261 WeakPolarHBondContact CG2-O 3.39Å; T227-F262 HydrophobicContact CG2-CB 4.49Å; T227-Q265 HydrophobicContact CG2-CG 3.32Å; T227-Q265 WeakPolarHBondContact O-CG 3.36Å |
| 228 | P | 94.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 40% | 0.403 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.5 | -39.2 | 178.8 | -24.3 | 34.4 | 0 | 0 | 0 | 112.7 | T224 G231 H232 | T224-P228 VanDerWaalsContact O-CD 3.27Å; T224-P228 WeakPolarHBondContact O-CD 3.47Å; P228-G231 PolarHBondContact O-N 2.96Å; P228-H232 PolarHBondContact O-N 2.76Å; P228-H232 PolarHBondContact O-ND1 3.41Å |
| 229 | Y | 96.6 | Very high | 93.6 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 16% | 0.161 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 179.2 | -60.9 | -88.4 | 0 | 0 | 0 | 111.1 | F194 R198 L201 L206 Q225 F226 T227 G231 H232 M233 | F194-Y229 HydrophobicContact CZ-CD2 4.41Å; F194-Y229 HydrophobicContact CZ-CE2 4.24Å; R198-Y229 HydrophobicContact CG-CE2 4.37Å; R198-Y229 VanDerWaalsContact CG-OH 3.31Å; R198-Y229 WeakPolarHBondContact CG-OH 3.31Å; L201-Y229 HydrophobicContact CB-CD1 3.76Å; L201-Y229 HydrophobicContact CB-CE1 4.01Å; L201-Y229 HydrophobicContact CD1-CD1 4.01Å; L201-Y229 HydrophobicContact CD1-CD2 4.45Å; L201-Y229 HydrophobicContact CD1-CG 3.92Å; L206-Y229 HydrophobicContact CD1-CD1 3.96Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.42Å; Q225-Y229 VanDerWaalsContact O-CE2 3.32Å; Q225-Y229 WeakPolarHBondContact O-CE2 3.19Å; F226-Y229 WeakPolarHBondContact O-CA 3.3Å; F226-Y229 WeakPolarHBondContact O-CB 3.45Å; F226-Y229 PolarHBondContact O-N 3.02Å; T227-Y229 VanDerWaalsContact C-N 3.29Å; T227-Y229 PolarHBondContact O-N 3.25Å; Y229-G231 VanDerWaalsContact C-N 3.3Å; Y229-G231 PolarHBondContact O-N 3.3Å; Y229-H232 PolarHBondContact O-N 3.06Å; Y229-H232 VanDerWaalsContact O-N 3.08Å; Y229-M233 WeakPolarHBondContact O-CG 3.14Å |
| 230 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.6 | -45.6 | 175.4 | -178.6 | 63.7 | 0 | 0 | 0 | 111 | F226 T227 H232 M233 L236 L239 F262 F266 L269 | F226-L230 HydrophobicContact CD1-CB 4.41Å; F226-L230 HydrophobicContact CE1-CB 3.97Å; F226-L230 HydrophobicContact CE1-CD1 4.41Å; F226-L230 HydrophobicContact CZ-CB 4.44Å; F226-L230 PolarHBondContact O-N 3.09Å; T227-L230 WeakPolarHBondContact O-CB 3.5Å; T227-L230 PolarHBondContact O-N 2.82Å; L230-H232 PolarHBondContact O-N 3.33Å; L230-H232 VanDerWaalsContact O-N 3.13Å; L230-M233 HydrophobicContact CD1-SD 4.27Å; L230-M233 WeakPolarHBondContact O-CB 3.42Å; L230-M233 PolarHBondContact O-N 2.86Å; L230-L236 HydrophobicContact CD1-CD2 3.69Å; L230-L239 HydrophobicContact CD1-CD1 4.04Å; L230-L239 HydrophobicContact CD1-CD2 4.21Å; L230-L239 HydrophobicContact CD2-CD2 4.23Å; L230-F262 HydrophobicContact CD2-CD2 4.49Å; L230-F262 HydrophobicContact CD2-CE2 3.68Å; L230-F262 HydrophobicContact CD2-CZ 4.05Å; L230-F266 HydrophobicContact CD2-CE2 4.38Å; L230-L269 HydrophobicContact CD1-CD1 4.34Å; L230-L269 HydrophobicContact CG-CD1 4.29Å; L230-L269 WeakPolarHBondContact O-CD2 3.48Å |
| 231 | G | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -14.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T227 P228 Y229 K268 | T227-G231 PolarHBondContact O-N 2.95Å; T227-G231 VanDerWaalsContact O-N 3.16Å; P228-G231 PolarHBondContact O-N 2.96Å; Y229-G231 VanDerWaalsContact C-N 3.3Å; Y229-G231 PolarHBondContact O-N 3.3Å; G231-K268 WeakPolarHBondContact O-CB 3.13Å; G231-K268 WeakPolarHBondContact O-CD 3.42Å |
| 232 | H | 95.8 | Very high | 95 | Very high | 97 Ų | 97 | 36.6 Ų | 36.6 | 45% | 0.449 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -4.2 | 173.7 | -68.4 | 88.9 | 0 | 0 | 0 | 113.1 | L206 D207 P228 Y229 L230 R234 | L206-H232 HydrophobicContact CB-CB 4.15Å; L206-H232 HydrophobicContact CD1-CB 3.72Å; D207-H232 VanDerWaalsContact OD1-O 3.13Å; P228-H232 PolarHBondContact O-N 2.76Å; P228-H232 PolarHBondContact O-ND1 3.41Å; Y229-H232 PolarHBondContact O-N 3.06Å; Y229-H232 VanDerWaalsContact O-N 3.08Å; L230-H232 PolarHBondContact O-N 3.33Å; L230-H232 VanDerWaalsContact O-N 3.13Å; H232-R234 VanDerWaalsContact C-N 3.31Å; H232-R234 PolarHBondContact O-N 3.38Å; H232-R234 VanDerWaalsContact O-N 3.11Å |
| 233 | M | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -88.4 | 66.9 | 179.5 | -59.7 | 171.2 | -169.7 | 0 | 0 | 110.3 | L187 L201 L206 I209 V212 F226 Y229 L230 N235 L236 L269 | L187-M233 HydrophobicContact CD2-CE 4.46Å; L201-M233 HydrophobicContact CD2-CE 4.44Å; L206-M233 HydrophobicContact CB-CG 4.2Å; L206-M233 HydrophobicContact CD2-CE 4.18Å; I209-M233 HydrophobicContact CB-CG 4.25Å; I209-M233 HydrophobicContact CB-SD 4.46Å; I209-M233 HydrophobicContact CD1-CE 3.86Å; I209-M233 HydrophobicContact CD1-CG 4.15Å; I209-M233 HydrophobicContact CD1-SD 4.11Å; I209-M233 HydrophobicContact CG2-CG 4.49Å; I209-M233 HydrophobicContact CG2-SD 4.11Å; V212-M233 HydrophobicContact CG2-CE 4.45Å; V212-M233 HydrophobicContact CG2-SD 3.57Å; V212-M233 VanDerWaalsContact CG2-SD 3.57Å; F226-M233 HydrophobicContact CE2-CE 4.19Å; F226-M233 HydrophobicContact CZ-CE 4.16Å; Y229-M233 WeakPolarHBondContact O-CG 3.14Å; L230-M233 HydrophobicContact CD1-SD 4.27Å; L230-M233 WeakPolarHBondContact O-CB 3.42Å; L230-M233 PolarHBondContact O-N 2.86Å; M233-N235 PolarHBondContact O-N 3.05Å; M233-L236 HydrophobicContact CB-CB 4.12Å; M233-L236 WeakPolarHBondContact O-CB 3.38Å; M233-L236 PolarHBondContact O-N 3.09Å; M233-L236 VanDerWaalsContact O-N 3.08Å; M233-L269 WeakPolarHBondContact O-CD2 3.29Å | ||
| 234 | R | 94.2 | Very high | 95 | Very high | 147 Ų | 147 | 37.7 Ų | 37.7 | 56% | 0.555 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.9 | -168.8 | -62.2 | 178.7 | -179.2 | -170 | 2.2 | 114.3 | H232 | H232-R234 VanDerWaalsContact C-N 3.31Å; H232-R234 PolarHBondContact O-N 3.38Å; H232-R234 VanDerWaalsContact O-N 3.11Å |
| 235 | N | 95.8 | Very high | 94.4 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 13.3 | 178.8 | -63.6 | -52.3 | 0 | 0 | 0 | 113.4 | D207 I209 M233 Q237 | D207-N235 WeakPolarHBondContact O-CB 3.36Å; D207-N235 PolarHBondContact O-ND2 2.8Å; I209-N235 CarbonylContact O-C 3.56Å; M233-N235 PolarHBondContact O-N 3.05Å; N235-Q237 PolarHBondContact O-N 2.87Å |
| 236 | L | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -64.8 | 122.2 | 179.7 | -171.9 | 70.5 | 0 | 0 | 0 | 111 | I209 V212 L230 M233 K238 L239 L269 C271 L272 | I209-L236 HydrophobicContact CG2-CD1 4.18Å; I209-L236 PolarHBondContact O-N 2.94Å; V212-L236 HydrophobicContact CB-CD1 3.97Å; V212-L236 HydrophobicContact CG2-CD1 3.54Å; L230-L236 HydrophobicContact CD1-CD2 3.69Å; M233-L236 HydrophobicContact CB-CB 4.12Å; M233-L236 WeakPolarHBondContact O-CB 3.38Å; M233-L236 PolarHBondContact O-N 3.09Å; M233-L236 VanDerWaalsContact O-N 3.08Å; L236-K238 WeakPolarHBondContact CD1-O 3.42Å; L236-L239 HydrophobicContact CD2-CB 4.13Å; L236-L239 HydrophobicContact CD2-CD1 4.24Å; L236-L269 HydrophobicContact CB-CD2 4.24Å; L236-L269 HydrophobicContact CD2-CD1 4.14Å; L236-L269 HydrophobicContact CD2-CD2 4.15Å; L236-C271 CarbonylContact O-C 3.52Å; L236-C271 WeakPolarHBondContact O-CB 3.45Å; L236-L272 HydrophobicContact CD2-CD1 4.46Å; L236-L272 HydrophobicContact CG-CD1 4.41Å; L236-L272 VanDerWaalsContact O-CA 3.26Å; L236-L272 WeakPolarHBondContact O-CA 3.39Å; L236-L272 PolarHBondContact O-N 2.98Å | ||
| 237 | Q | 97.6 | Very high | 92.7 | Very high | 86 Ų | 86 | 39.8 Ų | 39.8 | 40% | 0.402 | 20% | 0.197 | S | C | . | . | trans | -105.6 | -31.2 | 179.5 | -63.6 | 176.8 | 7 | 0 | 0 | 112.4 | Q210 N235 C271 Q273 K274 | Q210-Q237 PolarHBondContact O-N 2.79Å; N235-Q237 PolarHBondContact O-N 2.87Å; Q237-C271 WeakPolarHBondContact CA-O 3.42Å; Q237-C271 HydrophobicContact CG-CB 4.22Å; Q237-Q273 PolarHBondContact O-N 2.77Å; Q237-K274 PolarHBondContact O-N 2.97Å | ||
| 238 | K | 98.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 24% | 0.243 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126 | -179 | 178.5 | 177.5 | 174.1 | -174.2 | 0 | 111 | Q210 E211 V212 L236 V240 K274 Y276 | Q210-K238 PolarHBondContact O-N 3.08Å; Q210-K238 VanDerWaalsContact O-N 3.09Å; E211-K238 WeakPolarHBondContact CA-O 3.36Å; E211-K238 HydrophobicContact CB-CB 4.24Å; E211-K238 HydrophobicContact CG-CB 4.02Å; E211-K238 HydrophobicContact CG-CD 4.48Å; V212-K238 PolarHBondContact N-O 3.38Å; L236-K238 WeakPolarHBondContact CD1-O 3.42Å; K238-V240 HydrophobicContact CD-CG2 4.5Å; K238-V240 VanDerWaalsContact CE-CG2 3.5Å; K238-V240 HydrophobicContact CG-CG2 4.27Å; K238-K274 WeakPolarHBondContact CA-O 3.36Å; K238-K274 HydrophobicContact CB-CB 4.24Å; K238-K274 HydrophobicContact CG-CB 4.2Å; K238-Y276 HydrophobicContact CD-CE2 4.14Å; K238-Y276 HydrophobicContact CG-CD2 4.3Å; K238-Y276 HydrophobicContact CG-CE2 3.97Å |
| 239 | L | 98.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.8 | 172.4 | -176.6 | 59.2 | 0 | 0 | 0 | 109.8 | V212 L230 L236 L241 F266 L272 K274 L275 Y276 | V212-L239 HydrophobicContact CB-CD1 3.91Å; V212-L239 HydrophobicContact CG1-CD1 3.9Å; V212-L239 CarbonylContact O-C 3.59Å; L230-L239 HydrophobicContact CD1-CD1 4.04Å; L230-L239 HydrophobicContact CD1-CD2 4.21Å; L230-L239 HydrophobicContact CD2-CD2 4.23Å; L236-L239 HydrophobicContact CD2-CB 4.13Å; L236-L239 HydrophobicContact CD2-CD1 4.24Å; L239-L241 HydrophobicContact CD1-CD2 3.81Å; L239-L241 HydrophobicContact CD1-CG 4.35Å; L239-L241 HydrophobicContact CD2-CD1 4.19Å; L239-L241 HydrophobicContact CD2-CD2 4.35Å; L239-L241 HydrophobicContact CD2-CG 4.32Å; L239-L241 HydrophobicContact CG-CD1 4.43Å; L239-L241 HydrophobicContact CG-CD2 4.04Å; L239-L241 HydrophobicContact CG-CG 4.04Å; L239-F266 HydrophobicContact CD2-CE1 4.2Å; L239-F266 HydrophobicContact CD2-CZ 3.72Å; L239-L272 HydrophobicContact CB-CD1 3.88Å; L239-K274 PolarHBondContact N-O 3.29Å; L239-L275 HydrophobicContact CB-CD1 4.16Å; L239-L275 HydrophobicContact CD2-CD1 4.13Å; L239-L275 HydrophobicContact CG-CD1 4.28Å; L239-Y276 PolarHBondContact O-N 3.24Å |
| 240 | V | 97.9 | Very high | 89.8 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125 | 172.5 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | V212 E213 V214 K238 Y276 | V212-V240 PolarHBondContact O-N 2.91Å; E213-V240 HydrophobicContact CB-CB 4.15Å; E213-V240 HydrophobicContact CG-CB 3.96Å; E213-V240 HydrophobicContact CG-CG1 4.05Å; V214-V240 PolarHBondContact N-O 3.43Å; K238-V240 HydrophobicContact CD-CG2 4.5Å; K238-V240 VanDerWaalsContact CE-CG2 3.5Å; K238-V240 HydrophobicContact CG-CG2 4.27Å; V240-Y276 CarbonylContact C-O 3.43Å; V240-Y276 WeakPolarHBondContact CA-O 3.41Å; V240-Y276 HydrophobicContact CG2-CD2 3.74Å; V240-Y276 HydrophobicContact CG2-CG 4.08Å |
| 241 | L | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.7 | 177.6 | -55.4 | 174.6 | 0 | 0 | 0 | 108.3 | V214 L239 M244 F262 Y276 M277 N278 V280 | V214-L241 HydrophobicContact CB-CD2 4.29Å; V214-L241 HydrophobicContact CG2-CD2 4.34Å; V214-L241 CarbonylContact O-C 3.56Å; L239-L241 HydrophobicContact CD1-CD2 3.81Å; L239-L241 HydrophobicContact CD1-CG 4.35Å; L239-L241 HydrophobicContact CD2-CD1 4.19Å; L239-L241 HydrophobicContact CD2-CD2 4.35Å; L239-L241 HydrophobicContact CD2-CG 4.32Å; L239-L241 HydrophobicContact CG-CD1 4.43Å; L239-L241 HydrophobicContact CG-CD2 4.04Å; L239-L241 HydrophobicContact CG-CG 4.04Å; L241-M244 HydrophobicContact CB-CE 3.84Å; L241-M244 HydrophobicContact CB-SD 4.03Å; L241-M244 HydrophobicContact CD1-SD 4.48Å; L241-M244 HydrophobicContact CD2-CE 3.52Å; L241-M244 HydrophobicContact CD2-SD 4.27Å; L241-M244 HydrophobicContact CG-CE 4.19Å; L241-M244 HydrophobicContact CG-SD 4.48Å; L241-F262 HydrophobicContact CD1-CE1 4.34Å; L241-F262 HydrophobicContact CD1-CZ 3.75Å; L241-Y276 PolarHBondContact N-O 3.04Å; L241-M277 CarbonylContact O-C 3.58Å; L241-M277 WeakPolarHBondContact O-CA 3.33Å; L241-N278 PolarHBondContact O-N 3.13Å; L241-V280 HydrophobicContact CB-CG2 4.16Å |
| 242 | S | 94.1 | Very high | 89 | Confident | 11 Ų | 11 | 64 Ų | 64 | 8% | 0.077 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.3 | 179.9 | -51.9 | 0 | 0 | 0 | 0 | 112.9 | V214 C216 N278 | V214-S242 PolarHBondContact O-N 3.29Å; C216-S242 PolarHBondContact N-O 3.17Å; C216-S242 VanDerWaalsContact O-O 3.12Å; S242-N278 CarbonylContact C-O 3.55Å; S242-N278 WeakPolarHBondContact CA-O 3.46Å |
| 243 | H | 89.4 | Confident | 88.7 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 32% | 0.324 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60 | 48.4 | 176.4 | -49.1 | -70 | 0 | 0 | 0 | 114 | N215 K217 N278 S279 | N215-H243 PolarHBondContact OD1-CD2 3.3Å; K217-H243 WeakPolarHBondContact CA-O 3.32Å; K217-H243 HydrophobicContact CG-CB 4.3Å; H243-N278 PolarHBondContact N-O 3.44Å; H243-S279 WeakPolarHBondContact CA-O 3.37Å; H243-S279 PolarHBondContact N-O 2.84Å |
| 244 | M | 88.4 | Confident | 88.3 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.3 | 178 | -61.4 | -169.9 | 174.7 | 0 | 0 | 109.7 | V214 W218 L223 L241 S279 V280 S281 F282 | V214-M244 HydrophobicContact CB-CE 3.89Å; V214-M244 HydrophobicContact CG1-CE 3.62Å; W218-M244 HydrophobicContact CE3-CE 4.26Å; L223-M244 HydrophobicContact CD1-CE 4.29Å; L223-M244 HydrophobicContact CD1-SD 3.91Å; L241-M244 HydrophobicContact CB-CE 3.84Å; L241-M244 HydrophobicContact CB-SD 4.03Å; L241-M244 HydrophobicContact CD1-SD 4.48Å; L241-M244 HydrophobicContact CD2-CE 3.52Å; L241-M244 HydrophobicContact CD2-SD 4.27Å; L241-M244 HydrophobicContact CG-CE 4.19Å; L241-M244 HydrophobicContact CG-SD 4.48Å; M244-S279 PolarHBondContact N-O 3.45Å; M244-V280 HydrophobicContact CB-CG1 4.35Å; M244-V280 HydrophobicContact CB-CG2 4.32Å; M244-S281 PolarHBondContact O-N 2.88Å; M244-S281 PolarHBondContact O-OG 3.1Å; M244-F282 HydrophobicContact CB-CD1 3.96Å; M244-F282 HydrophobicContact CB-CE1 3.99Å; M244-F282 HydrophobicContact SD-CE1 3.94Å |
| 245 | D | 77.8 | Confident | 88.1 | Confident | 100 Ų | 100 | 64.9 Ų | 64.9 | 54% | 0.535 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 148.5 | -173.4 | -158.2 | 10.8 | 0 | 0 | 0 | 113 | W218 S247 S281 | W218-D245 PolarHBondContact O-N 2.9Å; D245-S247 PolarHBondContact O-N 3.29Å; D245-S281 WeakPolarHBondContact CA-OG 3.49Å; D245-S281 PolarHBondContact OD1-OG 3.36Å |
| 246 | V | 76.8 | Confident | 87.8 | Confident | 36 Ų | 36 | 67 Ų | 67 | 22% | 0.218 | 32% | 0.318 | C | S | . | . | trans | -77.8 | 117.5 | 169.8 | -175.6 | 0 | 0 | 0 | 0 | 107.5 | L220 R248 S281 F282 | L220-V246 HydrophobicContact CD1-CB 4.45Å; L220-V246 HydrophobicContact CD1-CG1 3.99Å; L220-V246 HydrophobicContact CD1-CG2 4.3Å; V246-R248 PolarHBondContact O-N 3.47Å; V246-S281 PolarHBondContact N-OG 2.59Å; V246-F282 HydrophobicContact CG2-CB 3.57Å | ||
| 247 | S | 73.8 | Confident | 87.5 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | trans | -61.2 | 135 | 171.5 | 169.8 | 0 | 0 | 0 | 0 | 109.7 | D245 Y249 V250 | D245-S247 PolarHBondContact O-N 3.29Å; S247-Y249 PolarHBondContact O-N 2.82Å; S247-Y249 PolarHBondContact OG-N 3.42Å; S247-V250 PolarHBondContact O-N 3.45Å; S247-V250 VanDerWaalsContact O-N 3.08Å | ||
| 248 | R | 69.4 | Low | 87.2 | Confident | 243 Ų | 243 | 69.4 Ų | 69.4 | 92% | 0.917 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.4 | 178.9 | -64 | -175.3 | -178 | -172.8 | -0.4 | 114.2 | V246 | V246-R248 PolarHBondContact O-N 3.47Š|
| 249 | Y | 74.7 | Confident | 86.9 | Confident | 212 Ų | 212 | 66.8 Ų | 66.8 | 83% | 0.831 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 2.2 | -176.4 | -53.1 | -75.9 | 0 | 0 | 0 | 113.7 | S247 | S247-Y249 PolarHBondContact O-N 2.82Å; S247-Y249 PolarHBondContact OG-N 3.42Å |
| 250 | V | 81.4 | Confident | 86.7 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | trans | -91.9 | 125.7 | -179.5 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | L220 S247 Q254 K255 | L220-V250 HydrophobicContact CD1-CB 4.5Å; L220-V250 HydrophobicContact CD1-CG1 4.06Å; L220-V250 HydrophobicContact CD1-CG2 4.43Å; S247-V250 PolarHBondContact O-N 3.45Å; S247-V250 VanDerWaalsContact O-N 3.08Å; V250-Q254 HydrophobicContact CG1-CB 3.74Å; V250-K255 HydrophobicContact CG1-CB 4.18Å | ||
| 251 | S | 88.1 | Confident | 86.5 | Confident | 40 Ų | 40 | 72 Ų | 72 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | trans | -69.1 | 157.1 | 176.5 | 91.2 | 0 | 0 | 0 | 0 | 111.3 | E253 Q254 K255 | S251-E253 WeakPolarHBondContact CB-OE2 3.35Å; S251-E253 PolarHBondContact O-N 3.17Å; S251-E253 PolarHBondContact OG-N 2.9Å; S251-E253 PolarHBondContact OG-OE2 2.79Å; S251-Q254 PolarHBondContact O-N 3.45Å; S251-Q254 PolarHBondContact OG-N 2.82Å; S251-K255 PolarHBondContact O-N 3.15Å | ||
| 252 | P | 86.6 | Confident | 86.5 | Confident | 96 Ų | 96 | 72 Ų | 72 | 62% | 0.623 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.5 | -36.8 | 175.9 | -26.4 | 35.9 | 0 | 0 | 0 | 113.6 | K255 K256 | P252-K255 WeakPolarHBondContact O-CB 3.46Å; P252-K255 PolarHBondContact O-N 3.4Å; P252-K256 WeakPolarHBondContact O-CB 3.45Å; P252-K256 PolarHBondContact O-N 2.88Å |
| 253 | E | 88.8 | Confident | 86.6 | Confident | 132 Ų | 132 | 71.5 Ų | 71.5 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.8 | -45.7 | 178.8 | -57.3 | 69.7 | -148.8 | 0 | 0 | 111 | S251 K255 K256 E257 | S251-E253 WeakPolarHBondContact CB-OE2 3.35Å; S251-E253 PolarHBondContact O-N 3.17Å; S251-E253 PolarHBondContact OG-N 2.9Å; S251-E253 PolarHBondContact OG-OE2 2.79Å; E253-K255 VanDerWaalsContact C-N 3.34Å; E253-K256 PolarHBondContact O-N 3.4Å; E253-E257 PolarHBondContact O-N 3.37Å |
| 254 | Q | 88.8 | Confident | 86.9 | Confident | 100 Ų | 100 | 70.7 Ų | 70.7 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.3 | -70.8 | 176.7 | -13.5 | 0 | 0 | 111.5 | V250 S251 K256 E257 I258 | V250-Q254 HydrophobicContact CG1-CB 3.74Å; S251-Q254 PolarHBondContact O-N 3.45Å; S251-Q254 PolarHBondContact OG-N 2.82Å; Q254-K256 VanDerWaalsContact C-N 3.33Å; Q254-K256 PolarHBondContact O-N 3.12Å; Q254-E257 PolarHBondContact O-N 3.2Å; Q254-I258 VanDerWaalsContact O-CG1 3.28Å; Q254-I258 WeakPolarHBondContact O-CG1 3.2Å; Q254-I258 PolarHBondContact O-N 3.14Å |
| 255 | K | 89.2 | Confident | 87.2 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 14% | 0.135 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56 | -51.2 | 173.3 | 178.8 | -169.8 | 172.9 | -168.7 | 0 | 109.6 | L220 V250 S251 P252 E253 E257 I258 V259 F282 E284 | L220-K255 HydrophobicContact CD1-CG 4.37Å; V250-K255 HydrophobicContact CG1-CB 4.18Å; S251-K255 PolarHBondContact O-N 3.15Å; P252-K255 WeakPolarHBondContact O-CB 3.46Å; P252-K255 PolarHBondContact O-N 3.4Å; E253-K255 VanDerWaalsContact C-N 3.34Å; K255-E257 VanDerWaalsContact C-N 3.34Å; K255-E257 PolarHBondContact O-N 2.76Å; K255-I258 PolarHBondContact O-N 2.93Å; K255-V259 HydrophobicContact CG-CG2 4.19Å; K255-V259 WeakPolarHBondContact O-CB 3.32Å; K255-V259 WeakPolarHBondContact O-CG2 3.24Å; K255-V259 PolarHBondContact O-N 3.37Å; K255-F282 WeakPolarHBondContact CE-O 3.49Å; K255-E284 PolarHBondContact NZ-O 3.49Å; K255-E284 VanDerWaalsContact NZ-O 3.13Å |
| 256 | K | 90.7 | Very high | 88.1 | Confident | 118 Ų | 118 | 67.1 Ų | 67.1 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | -179.2 | -172.2 | 178.5 | -179.4 | 179.5 | 0 | 112.2 | P252 E253 Q254 V259 T260 | P252-K256 WeakPolarHBondContact O-CB 3.45Å; P252-K256 PolarHBondContact O-N 2.88Å; E253-K256 PolarHBondContact O-N 3.4Å; Q254-K256 VanDerWaalsContact C-N 3.33Å; Q254-K256 PolarHBondContact O-N 3.12Å; K256-V259 PolarHBondContact O-N 3.11Å; K256-T260 WeakPolarHBondContact O-CB 3.46Å; K256-T260 PolarHBondContact O-N 2.86Å; K256-T260 PolarHBondContact O-OG1 3.37Å |
| 257 | E | 91.7 | Very high | 89 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 176.2 | -169.9 | -173.3 | 166 | 0 | 0 | 111.5 | E253 Q254 K255 V259 T260 Q261 | E253-E257 PolarHBondContact O-N 3.37Å; Q254-E257 PolarHBondContact O-N 3.2Å; K255-E257 VanDerWaalsContact C-N 3.34Å; K255-E257 PolarHBondContact O-N 2.76Å; E257-V259 PolarHBondContact O-N 3.23Å; E257-T260 WeakPolarHBondContact O-CB 3.31Å; E257-T260 PolarHBondContact O-N 3.22Å; E257-Q261 WeakPolarHBondContact O-CG 3.43Å; E257-Q261 PolarHBondContact O-N 3.18Å; E257-Q261 PolarHBondContact OE1-NE2 3Å |
| 258 | I | 90.8 | Very high | 90.1 | Very high | 22 Ų | 22 | 71.5 Ų | 71.5 | 11% | 0.113 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 179.9 | -67.1 | 170 | 0 | 0 | 0 | 111.1 | L220 T224 Q254 K255 T260 Q261 F262 | L220-I258 HydrophobicContact CB-CD1 4.02Å; L220-I258 HydrophobicContact CB-CG2 4.35Å; L220-I258 HydrophobicContact CD1-CD1 4.47Å; L220-I258 HydrophobicContact CD2-CG2 3.91Å; T224-I258 VanDerWaalsContact OG1-CG2 3.29Å; T224-I258 WeakPolarHBondContact OG1-CG2 3.36Å; Q254-I258 VanDerWaalsContact O-CG1 3.28Å; Q254-I258 WeakPolarHBondContact O-CG1 3.2Å; Q254-I258 PolarHBondContact O-N 3.14Å; K255-I258 PolarHBondContact O-N 2.93Å; I258-T260 VanDerWaalsContact C-N 3.32Å; I258-T260 PolarHBondContact O-N 2.66Å; I258-Q261 PolarHBondContact O-N 3.39Å; I258-F262 WeakPolarHBondContact O-CB 3.23Å; I258-F262 PolarHBondContact O-N 2.91Å |
| 259 | V | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | K255 K256 E257 Q261 F262 T263 F282 L283 H286 | K255-V259 HydrophobicContact CG-CG2 4.19Å; K255-V259 WeakPolarHBondContact O-CB 3.32Å; K255-V259 WeakPolarHBondContact O-CG2 3.24Å; K255-V259 PolarHBondContact O-N 3.37Å; K256-V259 PolarHBondContact O-N 3.11Å; E257-V259 PolarHBondContact O-N 3.23Å; V259-Q261 PolarHBondContact O-N 3.27Å; V259-F262 PolarHBondContact O-N 3.32Å; V259-T263 HydrophobicContact CG1-CG2 4.02Å; V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 VanDerWaalsContact O-CG2 3.27Å; V259-T263 WeakPolarHBondContact O-CG2 3.5Å; V259-T263 PolarHBondContact O-N 3.34Å; V259-T263 PolarHBondContact O-OG1 2.69Å; V259-F282 HydrophobicContact CG2-CD2 3.86Å; V259-F282 VanDerWaalsContact CG2-O 3.32Å; V259-F282 WeakPolarHBondContact CG2-O 3.26Å; V259-L283 HydrophobicContact CG1-CD2 4.13Å; V259-H286 HydrophobicContact CG1-CB 3.71Å |
| 260 | T | 94.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 55 Ų | 55 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | K256 E257 I258 F262 T263 T264 Q289 | K256-T260 WeakPolarHBondContact O-CB 3.46Å; K256-T260 PolarHBondContact O-N 2.86Å; K256-T260 PolarHBondContact O-OG1 3.37Å; E257-T260 WeakPolarHBondContact O-CB 3.31Å; E257-T260 PolarHBondContact O-N 3.22Å; I258-T260 VanDerWaalsContact C-N 3.32Å; I258-T260 PolarHBondContact O-N 2.66Å; T260-F262 VanDerWaalsContact C-N 3.29Å; T260-F262 PolarHBondContact O-N 2.99Å; T260-T263 PolarHBondContact O-OG1 2.76Å; T260-T264 HydrophobicContact CG2-CG2 4.18Å; T260-T264 WeakPolarHBondContact O-CB 3.44Å; T260-T264 WeakPolarHBondContact O-CG2 3.34Å; T260-T264 PolarHBondContact O-N 3.06Å; T260-T264 PolarHBondContact O-OG1 3.12Å; T260-Q289 PolarHBondContact OG1-OE1 2.95Å |
| 261 | Q | 94.3 | Very high | 92.9 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 177.5 | -72.4 | 177.8 | 5.3 | 0 | 0 | 112.1 | T224 T227 E257 I258 V259 T264 Q265 | T224-Q261 VanDerWaalsContact CG2-OE1 3.31Å; T227-Q261 WeakPolarHBondContact CG2-O 3.39Å; E257-Q261 WeakPolarHBondContact O-CG 3.43Å; E257-Q261 PolarHBondContact O-N 3.18Å; E257-Q261 PolarHBondContact OE1-NE2 3Å; I258-Q261 PolarHBondContact O-N 3.39Å; V259-Q261 PolarHBondContact O-N 3.27Å; Q261-T264 PolarHBondContact O-OG1 2.87Å; Q261-T264 VanDerWaalsContact O-OG1 3.04Å; Q261-Q265 PolarHBondContact O-NE2 3.1Å |
| 262 | F | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -54.9 | 177.7 | 178.8 | -100.2 | 0 | 0 | 0 | 112.4 | L223 T227 L230 L241 I258 V259 T260 T264 Q265 F266 F282 | L223-F262 HydrophobicContact CD1-CD2 3.88Å; L223-F262 HydrophobicContact CD1-CE2 3.7Å; L223-F262 HydrophobicContact CD2-CD2 4.11Å; L223-F262 HydrophobicContact CD2-CE2 4.46Å; L223-F262 HydrophobicContact CD2-CG 4.34Å; L223-F262 HydrophobicContact CG-CD2 3.96Å; L223-F262 HydrophobicContact CG-CE2 4.29Å; T227-F262 HydrophobicContact CG2-CB 4.49Å; L230-F262 HydrophobicContact CD2-CD2 4.49Å; L230-F262 HydrophobicContact CD2-CE2 3.68Å; L230-F262 HydrophobicContact CD2-CZ 4.05Å; L241-F262 HydrophobicContact CD1-CE1 4.34Å; L241-F262 HydrophobicContact CD1-CZ 3.75Å; I258-F262 WeakPolarHBondContact O-CB 3.23Å; I258-F262 PolarHBondContact O-N 2.91Å; V259-F262 PolarHBondContact O-N 3.32Å; T260-F262 VanDerWaalsContact C-N 3.29Å; T260-F262 PolarHBondContact O-N 2.99Å; F262-T264 VanDerWaalsContact C-N 3.35Å; F262-T264 PolarHBondContact O-N 3.32Å; F262-Q265 WeakPolarHBondContact O-CB 3.43Å; F262-Q265 PolarHBondContact O-N 3.07Å; F262-Q265 VanDerWaalsContact O-N 3.14Å; F262-F266 HydrophobicContact CD1-CE2 4.24Å; F262-F266 AromaticContact CE1-CE2 3.59Å; F262-F266 HydrophobicContact CE1-CE2 3.59Å; F262-F266 HydrophobicContact CE1-CZ 4.16Å; F262-F266 AromaticContact CZ-CE2 3.83Å; F262-F266 HydrophobicContact CZ-CE2 3.83Å; F262-F266 HydrophobicContact CZ-CZ 4.31Å; F262-F282 AromaticContact CD1-CE2 3.78Å; F262-F282 HydrophobicContact CD1-CE2 3.78Å; F262-F282 AromaticContact CD1-CZ 3.76Å; F262-F282 HydrophobicContact CD1-CZ 3.76Å; F262-F282 HydrophobicContact CE1-CE2 4.22Å; F262-F282 AromaticContact CE1-CZ 3.74Å; F262-F282 HydrophobicContact CE1-CZ 3.74Å; F262-F282 HydrophobicContact CG-CE2 4.26Å; F262-F282 HydrophobicContact CG-CZ 4.31Å; F262-F282 HydrophobicContact CZ-CZ 4.3Å |
| 263 | T | 95.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -37.1 | -174.8 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | V259 T260 Q265 F266 L283 Q289 L290 C293 | V259-T263 HydrophobicContact CG1-CG2 4.02Å; V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 VanDerWaalsContact O-CG2 3.27Å; V259-T263 WeakPolarHBondContact O-CG2 3.5Å; V259-T263 PolarHBondContact O-N 3.34Å; V259-T263 PolarHBondContact O-OG1 2.69Å; T260-T263 PolarHBondContact O-OG1 2.76Å; T263-Q265 PolarHBondContact O-N 2.81Å; T263-Q265 VanDerWaalsContact O-N 3.08Å; T263-F266 VanDerWaalsContact O-CB 3.29Å; T263-F266 WeakPolarHBondContact O-CB 3.47Å; T263-F266 PolarHBondContact O-N 3.33Å; T263-L283 HydrophobicContact CG2-CD2 4.12Å; T263-Q289 HydrophobicContact CG2-CB 4.12Å; T263-L290 HydrophobicContact CG2-CB 3.77Å; T263-L290 HydrophobicContact CG2-CG 4.46Å; T263-C293 WeakPolarHBondContact O-CB 3.23Å |
| 264 | T | 96.1 | Very high | 94.3 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 32% | 0.319 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -60.7 | -21 | 176.3 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | T260 Q261 F262 F266 L267 | T260-T264 HydrophobicContact CG2-CG2 4.18Å; T260-T264 WeakPolarHBondContact O-CB 3.44Å; T260-T264 WeakPolarHBondContact O-CG2 3.34Å; T260-T264 PolarHBondContact O-N 3.06Å; T260-T264 PolarHBondContact O-OG1 3.12Å; Q261-T264 PolarHBondContact O-OG1 2.87Å; Q261-T264 VanDerWaalsContact O-OG1 3.04Å; F262-T264 VanDerWaalsContact C-N 3.35Å; F262-T264 PolarHBondContact O-N 3.32Å; T264-F266 PolarHBondContact O-N 2.79Å; T264-L267 WeakPolarHBondContact O-CB 3.33Å; T264-L267 PolarHBondContact O-N 2.91Å |
| 265 | Q | 96.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -68.2 | -23.9 | 173.5 | -56.3 | -48.2 | -52.3 | 0 | 0 | 112.7 | T227 Q261 F262 T263 L267 K268 | T227-Q265 HydrophobicContact CG2-CG 3.32Å; T227-Q265 WeakPolarHBondContact O-CG 3.36Å; Q261-Q265 PolarHBondContact O-NE2 3.1Å; F262-Q265 WeakPolarHBondContact O-CB 3.43Å; F262-Q265 PolarHBondContact O-N 3.07Å; F262-Q265 VanDerWaalsContact O-N 3.14Å; T263-Q265 PolarHBondContact O-N 2.81Å; T263-Q265 VanDerWaalsContact O-N 3.08Å; Q265-L267 PolarHBondContact O-N 3.25Å; Q265-K268 WeakPolarHBondContact O-CB 3.32Å; Q265-K268 PolarHBondContact O-N 2.95Å |
| 266 | F | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -63.5 | -22.7 | 177 | -76.4 | -112.9 | 0 | 0 | 0 | 112.3 | L230 L239 F262 T263 T264 K268 L269 L272 L275 L290 C293 L294 | L230-F266 HydrophobicContact CD2-CE2 4.38Å; L239-F266 HydrophobicContact CD2-CE1 4.2Å; L239-F266 HydrophobicContact CD2-CZ 3.72Å; F262-F266 HydrophobicContact CD1-CE2 4.24Å; F262-F266 AromaticContact CE1-CE2 3.59Å; F262-F266 HydrophobicContact CE1-CE2 3.59Å; F262-F266 HydrophobicContact CE1-CZ 4.16Å; F262-F266 AromaticContact CZ-CE2 3.83Å; F262-F266 HydrophobicContact CZ-CE2 3.83Å; F262-F266 HydrophobicContact CZ-CZ 4.31Å; T263-F266 VanDerWaalsContact O-CB 3.29Å; T263-F266 WeakPolarHBondContact O-CB 3.47Å; T263-F266 PolarHBondContact O-N 3.33Å; T264-F266 PolarHBondContact O-N 2.79Å; F266-K268 PolarHBondContact O-N 2.92Å; F266-K268 VanDerWaalsContact O-N 3.15Å; F266-L269 HydrophobicContact CD1-CD1 4.14Å; F266-L269 HydrophobicContact CD2-CD1 4.41Å; F266-L269 HydrophobicContact CE1-CD1 4.45Å; F266-L269 HydrophobicContact CG-CD1 4.13Å; F266-L269 PolarHBondContact O-N 3.33Å; F266-L272 HydrophobicContact CD1-CD2 3.79Å; F266-L272 HydrophobicContact CE1-CD2 3.69Å; F266-L275 HydrophobicContact CE1-CD1 4.27Å; F266-L275 HydrophobicContact CE1-CD2 4.36Å; F266-L275 HydrophobicContact CZ-CD1 4.49Å; F266-L290 HydrophobicContact CD1-CD2 4.3Å; F266-L290 HydrophobicContact CD1-CG 4.28Å; F266-L290 HydrophobicContact CE1-CD1 4.12Å; F266-L290 HydrophobicContact CE1-CD2 4.14Å; F266-L290 HydrophobicContact CE1-CG 4.13Å; F266-L290 HydrophobicContact CE2-CD1 4.13Å; F266-L290 HydrophobicContact CE2-CG 4.41Å; F266-L290 HydrophobicContact CG-CG 4.48Å; F266-L290 HydrophobicContact CZ-CD1 3.79Å; F266-L290 HydrophobicContact CZ-CG 4.2Å; F266-C293 CarbonylContact C-O 3.52Å; F266-C293 HydrophobicContact CB-CB 3.76Å; F266-L294 HydrophobicContact CD1-CD2 3.79Å; F266-L294 HydrophobicContact CE1-CD2 4.49Å |
| 267 | L | 95.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -58.8 | -25.8 | 171.9 | -67.7 | 169.8 | 0 | 0 | 0 | 112.8 | T264 Q265 H270 C293 | T264-L267 WeakPolarHBondContact O-CB 3.33Å; T264-L267 PolarHBondContact O-N 2.91Å; Q265-L267 PolarHBondContact O-N 3.25Å; L267-H270 PolarHBondContact O-CE1 2.94Å; L267-H270 PolarHBondContact O-ND1 3.01Å; L267-C293 HydrophobicContact CD2-CB 4.04Å; L267-C293 HydrophobicContact CG-CB 3.96Å |
| 268 | K | 95.6 | Very high | 95.7 | Very high | 89 Ų | 89 | 38.8 Ų | 38.8 | 39% | 0.387 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -93.4 | -10.3 | -180 | -56.5 | 173.8 | -174.9 | 166.2 | 0 | 112.8 | G231 Q265 F266 H270 | G231-K268 WeakPolarHBondContact O-CB 3.13Å; G231-K268 WeakPolarHBondContact O-CD 3.42Å; Q265-K268 WeakPolarHBondContact O-CB 3.32Å; Q265-K268 PolarHBondContact O-N 2.95Å; F266-K268 PolarHBondContact O-N 2.92Å; F266-K268 VanDerWaalsContact O-N 3.15Å; K268-H270 VanDerWaalsContact C-N 3.31Å; K268-H270 PolarHBondContact O-N 2.9Å; K268-H270 VanDerWaalsContact O-N 3.15Å |
| 269 | L | 95.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | trans | -90.7 | 62.5 | -175.6 | -58.3 | -177.8 | 0 | 0 | 0 | 110.9 | L230 M233 L236 F266 C271 L272 | L230-L269 HydrophobicContact CD1-CD1 4.34Å; L230-L269 HydrophobicContact CG-CD1 4.29Å; L230-L269 WeakPolarHBondContact O-CD2 3.48Å; M233-L269 WeakPolarHBondContact O-CD2 3.29Å; L236-L269 HydrophobicContact CB-CD2 4.24Å; L236-L269 HydrophobicContact CD2-CD1 4.14Å; L236-L269 HydrophobicContact CD2-CD2 4.15Å; F266-L269 HydrophobicContact CD1-CD1 4.14Å; F266-L269 HydrophobicContact CD2-CD1 4.41Å; F266-L269 HydrophobicContact CE1-CD1 4.45Å; F266-L269 HydrophobicContact CG-CD1 4.13Å; F266-L269 PolarHBondContact O-N 3.33Å; L269-C271 PolarHBondContact O-N 2.96Å; L269-C271 VanDerWaalsContact O-N 3.13Å; L269-L272 HydrophobicContact CB-CB 4.18Å; L269-L272 HydrophobicContact CD1-CD2 4.41Å; L269-L272 PolarHBondContact O-N 3.16Å | ||
| 270 | H | 93.6 | Very high | 95.8 | Very high | 106 Ų | 106 | 39.9 Ų | 39.9 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -11.7 | -173.1 | -54.7 | -57.8 | 0 | 0 | 0 | 114.9 | L267 K268 T296 | L267-H270 PolarHBondContact O-CE1 2.94Å; L267-H270 PolarHBondContact O-ND1 3.01Å; K268-H270 VanDerWaalsContact C-N 3.31Å; K268-H270 PolarHBondContact O-N 2.9Å; K268-H270 VanDerWaalsContact O-N 3.15Å; H270-T296 WeakPolarHBondContact O-CG2 3.23Å |
| 271 | C | 95.8 | Very high | 95.5 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 29% | 0.291 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -0.7 | 179.9 | -60.6 | 0 | 0 | 0 | 0 | 113 | L236 Q237 L269 Q273 | L236-C271 CarbonylContact O-C 3.52Å; L236-C271 WeakPolarHBondContact O-CB 3.45Å; Q237-C271 WeakPolarHBondContact CA-O 3.42Å; Q237-C271 HydrophobicContact CG-CB 4.22Å; L269-C271 PolarHBondContact O-N 2.96Å; L269-C271 VanDerWaalsContact O-N 3.13Å; C271-Q273 PolarHBondContact O-N 2.98Å |
| 272 | L | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -68 | 124.6 | -171.5 | -172.1 | 69.1 | 0 | 0 | 0 | 110.3 | L236 L239 F266 L269 L294 T296 L298 | L236-L272 HydrophobicContact CD2-CD1 4.46Å; L236-L272 HydrophobicContact CG-CD1 4.41Å; L236-L272 VanDerWaalsContact O-CA 3.26Å; L236-L272 WeakPolarHBondContact O-CA 3.39Å; L236-L272 PolarHBondContact O-N 2.98Å; L239-L272 HydrophobicContact CB-CD1 3.88Å; F266-L272 HydrophobicContact CD1-CD2 3.79Å; F266-L272 HydrophobicContact CE1-CD2 3.69Å; L269-L272 HydrophobicContact CB-CB 4.18Å; L269-L272 HydrophobicContact CD1-CD2 4.41Å; L269-L272 PolarHBondContact O-N 3.16Å; L272-L294 HydrophobicContact CD2-CD2 4.15Å; L272-T296 PolarHBondContact O-OG1 3.14Å; L272-L298 HydrophobicContact CG-CD2 4.24Å | ||
| 273 | Q | 97.2 | Very high | 95.1 | Very high | 84 Ų | 84 | 35.1 Ų | 35.1 | 39% | 0.393 | 18% | 0.178 | S | C | . | . | trans | -127.6 | -19.5 | 179.3 | -69.4 | 179 | 1.6 | 0 | 0 | 112.7 | Q237 C271 L298 K299 V300 | Q237-Q273 PolarHBondContact O-N 2.77Å; C271-Q273 PolarHBondContact O-N 2.98Å; Q273-L298 WeakPolarHBondContact O-CA 3.28Å; Q273-K299 HydrophobicContact CB-CG 4.47Å; Q273-K299 PolarHBondContact O-N 2.84Å; Q273-V300 PolarHBondContact O-N 2.87Å; Q273-V300 VanDerWaalsContact O-N 3.14Å | ||
| 274 | K | 98.5 | Very high | 94.9 | Very high | 87 Ų | 87 | 38.3 Ų | 38.3 | 38% | 0.378 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 115.9 | -176.7 | -50.4 | -178.9 | -179.2 | 176.7 | 0 | 110 | Q237 K238 L239 Y276 V300 | Q237-K274 PolarHBondContact O-N 2.97Å; K238-K274 WeakPolarHBondContact CA-O 3.36Å; K238-K274 HydrophobicContact CB-CB 4.24Å; K238-K274 HydrophobicContact CG-CB 4.2Å; L239-K274 PolarHBondContact N-O 3.29Å; K274-Y276 HydrophobicContact CB-CD2 4.46Å; K274-Y276 HydrophobicContact CB-CE2 3.65Å; K274-V300 WeakPolarHBondContact CA-O 3.45Å; K274-V300 HydrophobicContact CB-CB 4.08Å; K274-V300 HydrophobicContact CD-CG2 4.33Å; K274-V300 HydrophobicContact CG-CB 4.08Å; K274-V300 HydrophobicContact CG-CG2 4.06Å |
| 275 | L | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.9 | 178.5 | -179.7 | 61.2 | 0 | 0 | 0 | 109.4 | L239 F266 M277 L290 L298 V300 L301 T302 | L239-L275 HydrophobicContact CB-CD1 4.16Å; L239-L275 HydrophobicContact CD2-CD1 4.13Å; L239-L275 HydrophobicContact CG-CD1 4.28Å; F266-L275 HydrophobicContact CE1-CD1 4.27Å; F266-L275 HydrophobicContact CE1-CD2 4.36Å; F266-L275 HydrophobicContact CZ-CD1 4.49Å; L275-M277 HydrophobicContact CD1-CG 4.24Å; L275-M277 HydrophobicContact CD2-CE 4.17Å; L275-M277 HydrophobicContact CD2-SD 4.4Å; L275-M277 HydrophobicContact CG-CG 4.29Å; L275-L290 HydrophobicContact CD2-CD2 3.88Å; L275-L298 HydrophobicContact CB-CD1 4.21Å; L275-L298 HydrophobicContact CB-CD2 4.46Å; L275-V300 PolarHBondContact N-O 3Å; L275-L301 HydrophobicContact CB-CD1 4.19Å; L275-L301 HydrophobicContact CD2-CD1 4.08Å; L275-L301 HydrophobicContact CG-CD1 4.27Å; L275-L301 WeakPolarHBondContact O-CA 3.34Å; L275-T302 PolarHBondContact O-N 3.13Å |
| 276 | Y | 98.3 | Very high | 94.5 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.9 | 176.4 | -54 | -103.9 | 0 | 0 | 0 | 108.7 | K238 L239 V240 L241 K274 V300 T302 | K238-Y276 HydrophobicContact CD-CE2 4.14Å; K238-Y276 HydrophobicContact CG-CD2 4.3Å; K238-Y276 HydrophobicContact CG-CE2 3.97Å; L239-Y276 PolarHBondContact O-N 3.24Å; V240-Y276 CarbonylContact C-O 3.43Å; V240-Y276 WeakPolarHBondContact CA-O 3.41Å; V240-Y276 HydrophobicContact CG2-CD2 3.74Å; V240-Y276 HydrophobicContact CG2-CG 4.08Å; L241-Y276 PolarHBondContact N-O 3.04Å; K274-Y276 HydrophobicContact CB-CD2 4.46Å; K274-Y276 HydrophobicContact CB-CE2 3.65Å; Y276-V300 HydrophobicContact CD1-CG1 4.48Å; Y276-V300 HydrophobicContact CE1-CG1 3.65Å; Y276-V300 HydrophobicContact CE2-CG1 4.25Å; Y276-V300 WeakPolarHBondContact OH-CG1 3.32Å; Y276-T302 CarbonylContact C-O 3.18Å; Y276-T302 WeakPolarHBondContact CA-O 3.42Å; Y276-T302 HydrophobicContact CD1-CG2 4.06Å; Y276-T302 WeakPolarHBondContact CD1-OG1 3.49Å |
| 277 | M | 97 | Very high | 94.4 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.8 | 177.7 | -63.9 | -172.7 | -66.3 | 0 | 0 | 107.6 | L241 L275 V280 L283 L287 L290 T302 I303 T304 | L241-M277 CarbonylContact O-C 3.58Å; L241-M277 WeakPolarHBondContact O-CA 3.33Å; L275-M277 HydrophobicContact CD1-CG 4.24Å; L275-M277 HydrophobicContact CD2-CE 4.17Å; L275-M277 HydrophobicContact CD2-SD 4.4Å; L275-M277 HydrophobicContact CG-CG 4.29Å; M277-V280 HydrophobicContact CB-CB 4.39Å; M277-V280 HydrophobicContact CB-CG2 4Å; M277-L283 HydrophobicContact CE-CD1 4.37Å; M277-L283 HydrophobicContact SD-CD1 3.56Å; M277-L283 VanDerWaalsContact SD-CD1 3.56Å; M277-L287 HydrophobicContact CE-CD1 4.28Å; M277-L290 HydrophobicContact SD-CD1 4.41Å; M277-T302 PolarHBondContact N-O 3.08Å; M277-I303 HydrophobicContact CE-CD1 3.68Å; M277-I303 HydrophobicContact CE-CG1 3.67Å; M277-I303 HydrophobicContact CE-CG2 4.33Å; M277-I303 CarbonylContact O-C 3.58Å; M277-I303 WeakPolarHBondContact O-CA 3.46Å; M277-T304 PolarHBondContact O-N 3.4Å; M277-T304 PolarHBondContact O-OG1 2.88Å |
| 278 | N | 96.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 37 Ų | 37 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.3 | 176.9 | 178.6 | 37.5 | 0 | 0 | 0 | 110.2 | L241 S242 H243 V280 T304 N305 | L241-N278 PolarHBondContact O-N 3.13Å; S242-N278 CarbonylContact C-O 3.55Å; S242-N278 WeakPolarHBondContact CA-O 3.46Å; H243-N278 PolarHBondContact N-O 3.44Å; N278-V280 PolarHBondContact O-N 2.92Å; N278-T304 CarbonylContact C-O 3.55Å; N278-T304 VanDerWaalsContact CA-O 3.24Å; N278-T304 WeakPolarHBondContact CA-O 3.36Å; N278-T304 WeakPolarHBondContact CB-OG1 3.15Å; N278-T304 PolarHBondContact OD1-O 3.39Å; N278-T304 PolarHBondContact OD1-OG1 3.42Å; N278-N305 PolarHBondContact OD1-ND2 3.11Å |
| 279 | S | 93.3 | Very high | 94.3 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.1 | 52.2 | -177 | -48.9 | 0 | 0 | 0 | 0 | 112.7 | H243 M244 T304 N305 | H243-S279 WeakPolarHBondContact CA-O 3.37Å; H243-S279 PolarHBondContact N-O 2.84Å; M244-S279 PolarHBondContact N-O 3.45Å; S279-T304 PolarHBondContact N-O 3.28Å; S279-N305 VanDerWaalsContact CA-O 3.32Å; S279-N305 WeakPolarHBondContact CA-O 3.34Å |
| 280 | V | 92.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 100.6 | 177 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | L241 M244 M277 N278 F282 L283 C306 | L241-V280 HydrophobicContact CB-CG2 4.16Å; M244-V280 HydrophobicContact CB-CG1 4.35Å; M244-V280 HydrophobicContact CB-CG2 4.32Å; M277-V280 HydrophobicContact CB-CB 4.39Å; M277-V280 HydrophobicContact CB-CG2 4Å; N278-V280 PolarHBondContact O-N 2.92Å; V280-F282 HydrophobicContact CG1-CD1 3.57Å; V280-F282 HydrophobicContact CG1-CE1 3.33Å; V280-F282 HydrophobicContact CG1-CZ 4.17Å; V280-L283 HydrophobicContact CG1-CD1 4.1Å; V280-L283 HydrophobicContact CG1-CG 4.27Å; V280-C306 PolarHBondContact N-SG 3.39Å |
| 281 | S | 88.4 | Confident | 94.4 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 17% | 0.168 | 16% | 0.156 | C | C | . | . | trans | -89.6 | -22.9 | -173.8 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | M244 D245 V246 L283 E284 | M244-S281 PolarHBondContact O-N 2.88Å; M244-S281 PolarHBondContact O-OG 3.1Å; D245-S281 WeakPolarHBondContact CA-OG 3.49Å; D245-S281 PolarHBondContact OD1-OG 3.36Å; V246-S281 PolarHBondContact N-OG 2.59Å; S281-L283 PolarHBondContact O-N 2.95Å; S281-L283 VanDerWaalsContact O-N 3.16Å; S281-E284 WeakPolarHBondContact O-CB 3.49Å; S281-E284 PolarHBondContact O-N 2.97Å | ||
| 282 | F | 89 | Confident | 94.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.6 | -172.4 | 77.7 | -89.4 | 0 | 0 | 0 | 115.4 | L220 L223 M244 V246 K255 V259 F262 V280 | L220-F282 HydrophobicContact CD1-CB 4.44Å; L220-F282 HydrophobicContact CD2-CB 3.53Å; L220-F282 HydrophobicContact CD2-CD1 4.29Å; L220-F282 HydrophobicContact CD2-CD2 4Å; L220-F282 HydrophobicContact CD2-CG 3.69Å; L220-F282 HydrophobicContact CG-CB 4.3Å; L223-F282 HydrophobicContact CD2-CD1 4.05Å; L223-F282 HydrophobicContact CD2-CD2 4.23Å; L223-F282 HydrophobicContact CD2-CE1 3.55Å; L223-F282 HydrophobicContact CD2-CE2 3.79Å; L223-F282 HydrophobicContact CD2-CG 4.38Å; L223-F282 HydrophobicContact CD2-CZ 3.44Å; L223-F282 VanDerWaalsContact CD2-CZ 3.44Å; M244-F282 HydrophobicContact CB-CD1 3.96Å; M244-F282 HydrophobicContact CB-CE1 3.99Å; M244-F282 HydrophobicContact SD-CE1 3.94Å; V246-F282 HydrophobicContact CG2-CB 3.57Å; K255-F282 WeakPolarHBondContact CE-O 3.49Å; V259-F282 HydrophobicContact CG2-CD2 3.86Å; V259-F282 VanDerWaalsContact CG2-O 3.32Å; V259-F282 WeakPolarHBondContact CG2-O 3.26Å; F262-F282 AromaticContact CD1-CE2 3.78Å; F262-F282 HydrophobicContact CD1-CE2 3.78Å; F262-F282 AromaticContact CD1-CZ 3.76Å; F262-F282 HydrophobicContact CD1-CZ 3.76Å; F262-F282 HydrophobicContact CE1-CE2 4.22Å; F262-F282 AromaticContact CE1-CZ 3.74Å; F262-F282 HydrophobicContact CE1-CZ 3.74Å; F262-F282 HydrophobicContact CG-CE2 4.26Å; F262-F282 HydrophobicContact CG-CZ 4.31Å; F262-F282 HydrophobicContact CZ-CZ 4.3Å; V280-F282 HydrophobicContact CG1-CD1 3.57Å; V280-F282 HydrophobicContact CG1-CE1 3.33Å; V280-F282 HydrophobicContact CG1-CZ 4.17Å |
| 283 | L | 90.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2.4 | 177.2 | -67.8 | 175.7 | 0 | 0 | 0 | 113.7 | V259 T263 M277 V280 S281 G285 H286 L287 L290 | V259-L283 HydrophobicContact CG1-CD2 4.13Å; T263-L283 HydrophobicContact CG2-CD2 4.12Å; M277-L283 HydrophobicContact CE-CD1 4.37Å; M277-L283 HydrophobicContact SD-CD1 3.56Å; M277-L283 VanDerWaalsContact SD-CD1 3.56Å; V280-L283 HydrophobicContact CG1-CD1 4.1Å; V280-L283 HydrophobicContact CG1-CG 4.27Å; S281-L283 PolarHBondContact O-N 2.95Å; S281-L283 VanDerWaalsContact O-N 3.16Å; L283-G285 PolarHBondContact O-N 2.97Å; L283-G285 VanDerWaalsContact O-N 3.16Å; L283-H286 CarbonylContact O-C 3.57Å; L283-H286 PolarHBondContact O-N 3.01Å; L283-L287 PolarHBondContact O-N 2.93Å; L283-L290 HydrophobicContact CD1-CD1 3.82Å |
| 284 | E | 91.3 | Very high | 94.1 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 32% | 0.318 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 120 | 175.6 | -178.9 | -171.7 | -170 | 0 | 0 | 110.6 | K255 S281 H286 V307 L309 | K255-E284 PolarHBondContact NZ-O 3.49Å; K255-E284 VanDerWaalsContact NZ-O 3.13Å; S281-E284 WeakPolarHBondContact O-CB 3.49Å; S281-E284 PolarHBondContact O-N 2.97Å; E284-H286 VanDerWaalsContact C-N 3.29Å; E284-H286 PolarHBondContact O-CD2 2.93Å; E284-H286 PolarHBondContact O-N 3.2Å; E284-V307 HydrophobicContact CG-CB 4.34Å; E284-V307 HydrophobicContact CG-CG1 3.95Å; E284-V307 WeakPolarHBondContact OE1-CG1 3.05Å; E284-L309 HydrophobicContact CG-CD2 4.32Å; E284-L309 HydrophobicContact CG-CG 4.18Å |
| 285 | G | 91.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 25% | 0.247 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 8.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L283 D312 | L283-G285 PolarHBondContact O-N 2.97Å; L283-G285 VanDerWaalsContact O-N 3.16Å; G285-D312 WeakPolarHBondContact CA-OD1 3.22Å; G285-D312 WeakPolarHBondContact CA-OD2 3.29Å; G285-D312 PolarHBondContact N-OD2 3.44Å |
| 286 | H | 93 | Very high | 93.3 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 18% | 0.176 | 18% | 0.179 | C | C | . | . | trans | -136 | 18.6 | -176.6 | -57.6 | -50.5 | 0 | 0 | 0 | 113.3 | V259 L283 E284 D288 Q289 D312 | V259-H286 HydrophobicContact CG1-CB 3.71Å; L283-H286 CarbonylContact O-C 3.57Å; L283-H286 PolarHBondContact O-N 3.01Å; E284-H286 VanDerWaalsContact C-N 3.29Å; E284-H286 PolarHBondContact O-CD2 2.93Å; E284-H286 PolarHBondContact O-N 3.2Å; H286-D288 VanDerWaalsContact CA-OD1 3.32Å; H286-D288 WeakPolarHBondContact CA-OD1 3.49Å; H286-D288 PolarHBondContact O-N 3.22Å; H286-Q289 PolarHBondContact O-N 2.81Å; H286-D312 PolarHBondContact N-OD1 3.29Å | ||
| 287 | L | 94.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -27.8 | -178.7 | -173.2 | 61.1 | 0 | 0 | 0 | 111.7 | M277 L283 Q289 L290 L291 I303 L308 D312 | M277-L287 HydrophobicContact CE-CD1 4.28Å; L283-L287 PolarHBondContact O-N 2.93Å; L287-Q289 VanDerWaalsContact C-N 3.28Å; L287-Q289 PolarHBondContact O-N 3.11Å; L287-L290 PolarHBondContact O-N 2.85Å; L287-L290 VanDerWaalsContact O-N 3.16Å; L287-L291 HydrophobicContact CD1-CG 4.44Å; L287-L291 HydrophobicContact CD2-CD1 4.16Å; L287-L291 HydrophobicContact CG-CD1 3.8Å; L287-L291 HydrophobicContact CG-CG 4.04Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 2.88Å; L287-I303 HydrophobicContact CD2-CD1 4.25Å; L287-L308 HydrophobicContact CD2-CD2 4.41Å; L287-D312 HydrophobicContact CB-CB 3.9Å; L287-D312 WeakPolarHBondContact CB-OD1 3.3Å; L287-D312 HydrophobicContact CD2-CB 4.09Å; L287-D312 PolarHBondContact N-OD1 2.95Å; L287-D312 VanDerWaalsContact N-OD1 3.16Å |
| 288 | D | 94.9 | Very high | 93.1 | Very high | 58 Ų | 58 | 32 Ų | 32 | 31% | 0.31 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -54.3 | -39.8 | 174.5 | 69.3 | -51 | 0 | 0 | 0 | 113.3 | H286 L290 L291 S292 H315 | H286-D288 VanDerWaalsContact CA-OD1 3.32Å; H286-D288 WeakPolarHBondContact CA-OD1 3.49Å; H286-D288 PolarHBondContact O-N 3.22Å; D288-L290 PolarHBondContact O-N 3.39Å; D288-L291 PolarHBondContact O-N 3.14Å; D288-S292 VanDerWaalsContact O-CB 3.26Å; D288-S292 WeakPolarHBondContact O-CB 3.33Å; D288-S292 PolarHBondContact O-N 2.69Å; D288-S292 PolarHBondContact O-OG 3.02Å; D288-H315 HydrophobicContact CB-CB 4.01Å |
| 289 | Q | 95.5 | Very high | 93.2 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 178.9 | -64.6 | -179.8 | 33.1 | 0 | 0 | 111.5 | T260 T263 H286 L287 S292 C293 | T260-Q289 PolarHBondContact OG1-OE1 2.95Å; T263-Q289 HydrophobicContact CG2-CB 4.12Å; H286-Q289 PolarHBondContact O-N 2.81Å; L287-Q289 VanDerWaalsContact C-N 3.28Å; L287-Q289 PolarHBondContact O-N 3.11Å; Q289-S292 PolarHBondContact O-OG 2.84Å; Q289-C293 PolarHBondContact O-SG 2.86Å |
| 290 | L | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.2 | -49.9 | 175.7 | -171 | 152 | 0 | 0 | 0 | 110.5 | T263 F266 L275 M277 L283 L287 D288 S292 C293 L294 | T263-L290 HydrophobicContact CG2-CB 3.77Å; T263-L290 HydrophobicContact CG2-CG 4.46Å; F266-L290 HydrophobicContact CD1-CD2 4.3Å; F266-L290 HydrophobicContact CD1-CG 4.28Å; F266-L290 HydrophobicContact CE1-CD1 4.12Å; F266-L290 HydrophobicContact CE1-CD2 4.14Å; F266-L290 HydrophobicContact CE1-CG 4.13Å; F266-L290 HydrophobicContact CE2-CD1 4.13Å; F266-L290 HydrophobicContact CE2-CG 4.41Å; F266-L290 HydrophobicContact CG-CG 4.48Å; F266-L290 HydrophobicContact CZ-CD1 3.79Å; F266-L290 HydrophobicContact CZ-CG 4.2Å; L275-L290 HydrophobicContact CD2-CD2 3.88Å; M277-L290 HydrophobicContact SD-CD1 4.41Å; L283-L290 HydrophobicContact CD1-CD1 3.82Å; L287-L290 PolarHBondContact O-N 2.85Å; L287-L290 VanDerWaalsContact O-N 3.16Å; D288-L290 PolarHBondContact O-N 3.39Å; L290-S292 VanDerWaalsContact C-N 3.33Å; L290-S292 PolarHBondContact O-N 3.22Å; L290-C293 WeakPolarHBondContact O-CB 3.47Å; L290-C293 PolarHBondContact O-N 2.96Å; L290-C293 VanDerWaalsContact O-N 3.08Å; L290-L294 HydrophobicContact CD2-CD1 4.3Å; L290-L294 HydrophobicContact CD2-CD2 4.47Å; L290-L294 HydrophobicContact CD2-CG 4.37Å; L290-L294 PolarHBondContact O-N 3.42Å |
| 291 | L | 94.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | -175.4 | -68.7 | 173.5 | 0 | 0 | 0 | 112.5 | L287 D288 C293 L294 H315 L316 C319 | L287-L291 HydrophobicContact CD1-CG 4.44Å; L287-L291 HydrophobicContact CD2-CD1 4.16Å; L287-L291 HydrophobicContact CG-CD1 3.8Å; L287-L291 HydrophobicContact CG-CG 4.04Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 2.88Å; D288-L291 PolarHBondContact O-N 3.14Å; L291-C293 PolarHBondContact O-N 2.8Å; L291-L294 HydrophobicContact CD2-CD1 3.95Å; L291-L294 PolarHBondContact O-N 2.77Å; L291-H315 HydrophobicContact CD1-CB 4.27Å; L291-L316 HydrophobicContact CD1-CB 4.25Å; L291-L316 HydrophobicContact CD1-CD1 4.11Å; L291-L316 HydrophobicContact CD2-CD1 4.01Å; L291-C319 HydrophobicContact CB-CB 4.3Å; L291-C319 HydrophobicContact CD1-CB 4.31Å; L291-C319 HydrophobicContact CD2-CB 4.35Å |
| 292 | S | 94.8 | Very high | 94.2 | Very high | 88 Ų | 88 | 31.4 Ų | 31.4 | 62% | 0.615 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -66.4 | -22.2 | 176.2 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | D288 Q289 L290 | D288-S292 VanDerWaalsContact O-CB 3.26Å; D288-S292 WeakPolarHBondContact O-CB 3.33Å; D288-S292 PolarHBondContact O-N 2.69Å; D288-S292 PolarHBondContact O-OG 3.02Å; Q289-S292 PolarHBondContact O-OG 2.84Å; L290-S292 VanDerWaalsContact C-N 3.33Å; L290-S292 PolarHBondContact O-N 3.22Å |
| 293 | C | 95.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 7% | 0.074 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -85.9 | -13.6 | 178.3 | -68 | 0 | 0 | 0 | 0 | 113.7 | T263 F266 L267 Q289 L290 L291 K295 | T263-C293 WeakPolarHBondContact O-CB 3.23Å; F266-C293 CarbonylContact C-O 3.52Å; F266-C293 HydrophobicContact CB-CB 3.76Å; L267-C293 HydrophobicContact CD2-CB 4.04Å; L267-C293 HydrophobicContact CG-CB 3.96Å; Q289-C293 PolarHBondContact O-SG 2.86Å; L290-C293 WeakPolarHBondContact O-CB 3.47Å; L290-C293 PolarHBondContact O-N 2.96Å; L290-C293 VanDerWaalsContact O-N 3.08Å; L291-C293 PolarHBondContact O-N 2.8Å; C293-K295 PolarHBondContact O-N 3.18Å |
| 294 | L | 94.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | trans | -70.7 | 114.7 | -179.4 | -66.6 | 173.4 | 0 | 0 | 0 | 111.5 | F266 L272 L290 L291 L298 S321 | F266-L294 HydrophobicContact CD1-CD2 3.79Å; F266-L294 HydrophobicContact CE1-CD2 4.49Å; L272-L294 HydrophobicContact CD2-CD2 4.15Å; L290-L294 HydrophobicContact CD2-CD1 4.3Å; L290-L294 HydrophobicContact CD2-CD2 4.47Å; L290-L294 HydrophobicContact CD2-CG 4.37Å; L290-L294 PolarHBondContact O-N 3.42Å; L291-L294 HydrophobicContact CD2-CD1 3.95Å; L291-L294 PolarHBondContact O-N 2.77Å; L294-L298 HydrophobicContact CD1-CD1 3.78Å; L294-L298 HydrophobicContact CD1-CG 4.23Å; L294-S321 PolarHBondContact O-OG 3.12Å | ||
| 295 | K | 89.5 | Confident | 95 | Very high | 132 Ų | 132 | 33 Ų | 33 | 57% | 0.574 | 19% | 0.185 | S | C | * | . | trans | -89.7 | -23.2 | 177.1 | -63.3 | -57.3 | -174.3 | -171.3 | 0 | 114.1 | C293 | C293-K295 PolarHBondContact O-N 3.18Š| ||
| 296 | T | 91.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 24% | 0.239 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -112 | 147.7 | -179.7 | 34.4 | 0 | 0 | 0 | 0 | 111.9 | H270 L272 L298 | H270-T296 WeakPolarHBondContact O-CG2 3.23Å; L272-T296 PolarHBondContact O-OG1 3.14Å; T296-L298 PolarHBondContact O-N 2.8Å |
| 297 | S | 93.7 | Very high | 94.9 | Very high | 50 Ų | 50 | 34 Ų | 34 | 35% | 0.35 | 19% | 0.189 | S | C | . | . | trans | -69.6 | 123.1 | 175.8 | -53 | 0 | 0 | 0 | 0 | 110.8 | S321 | S297-S321 CarbonylContact C-O 3.58Å; S297-S321 WeakPolarHBondContact CA-O 3.28Å | ||
| 298 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -69.2 | 141 | 173.1 | -64.5 | -179.3 | 0 | 0 | 0 | 110.2 | L272 Q273 L275 L294 T296 L301 S321 I322 Q324 L325 | L272-L298 HydrophobicContact CG-CD2 4.24Å; Q273-L298 WeakPolarHBondContact O-CA 3.28Å; L275-L298 HydrophobicContact CB-CD1 4.21Å; L275-L298 HydrophobicContact CB-CD2 4.46Å; L294-L298 HydrophobicContact CD1-CD1 3.78Å; L294-L298 HydrophobicContact CD1-CG 4.23Å; T296-L298 PolarHBondContact O-N 2.8Å; L298-L301 HydrophobicContact CD1-CD1 4.24Å; L298-S321 PolarHBondContact N-O 2.77Å; L298-I322 HydrophobicContact CD1-CG2 4.42Å; L298-Q324 CarbonylContact O-C 3.46Å; L298-L325 HydrophobicContact CB-CD2 3.82Å; L298-L325 PolarHBondContact O-N 3.39Å | ||
| 299 | K | 98.1 | Very high | 94.7 | Very high | 64 Ų | 64 | 34.5 Ų | 34.5 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -99.8 | -30.1 | 169.9 | -63.2 | -57.7 | -175.5 | 178.9 | 0 | 111.7 | Q273 Q324 K326 T327 | Q273-K299 HydrophobicContact CB-CG 4.47Å; Q273-K299 PolarHBondContact O-N 2.84Å; K299-Q324 VanDerWaalsContact CD-O 3.28Å; K299-Q324 WeakPolarHBondContact CD-O 3.38Å; K299-K326 PolarHBondContact O-N 3.3Å; K299-T327 PolarHBondContact O-N 2.96Å; K299-T327 VanDerWaalsContact O-N 3.16Å |
| 300 | V | 98.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.6 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | Q273 K274 L275 Y276 T327 | Q273-V300 PolarHBondContact O-N 2.87Å; Q273-V300 VanDerWaalsContact O-N 3.14Å; K274-V300 WeakPolarHBondContact CA-O 3.45Å; K274-V300 HydrophobicContact CB-CB 4.08Å; K274-V300 HydrophobicContact CD-CG2 4.33Å; K274-V300 HydrophobicContact CG-CB 4.08Å; K274-V300 HydrophobicContact CG-CG2 4.06Å; L275-V300 PolarHBondContact N-O 3Å; Y276-V300 HydrophobicContact CD1-CG1 4.48Å; Y276-V300 HydrophobicContact CE1-CG1 3.65Å; Y276-V300 HydrophobicContact CE2-CG1 4.25Å; Y276-V300 WeakPolarHBondContact OH-CG1 3.32Å; V300-T327 HydrophobicContact CG1-CG2 3.88Å |
| 301 | L | 98.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117 | 169.6 | 179 | 64.4 | 0 | 0 | 0 | 109 | L275 L298 I303 L316 I322 L325 T327 L328 D329 | L275-L301 HydrophobicContact CB-CD1 4.19Å; L275-L301 HydrophobicContact CD2-CD1 4.08Å; L275-L301 HydrophobicContact CG-CD1 4.27Å; L275-L301 WeakPolarHBondContact O-CA 3.34Å; L298-L301 HydrophobicContact CD1-CD1 4.24Å; L301-I303 HydrophobicContact CD1-CD1 4.12Å; L301-I303 HydrophobicContact CD1-CG1 3.9Å; L301-I303 HydrophobicContact CD2-CD1 4.3Å; L301-I303 HydrophobicContact CG-CD1 4.32Å; L301-I303 HydrophobicContact CG-CG1 4.1Å; L301-L316 HydrophobicContact CD2-CD1 3.53Å; L301-L316 HydrophobicContact CD2-CD2 4.43Å; L301-I322 HydrophobicContact CD2-CG2 4.49Å; L301-L325 HydrophobicContact CB-CD1 4.04Å; L301-L325 HydrophobicContact CB-CD2 3.69Å; L301-L325 HydrophobicContact CD2-CD1 4.38Å; L301-T327 PolarHBondContact N-O 3.01Å; L301-L328 HydrophobicContact CD2-CD1 4.3Å; L301-L328 WeakPolarHBondContact O-CA 3.34Å; L301-D329 PolarHBondContact O-N 3.18Å |
| 302 | T | 98.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.5 | 175.5 | -62.4 | 0 | 0 | 0 | 0 | 107.8 | L275 Y276 M277 T304 D329 | L275-T302 PolarHBondContact O-N 3.13Å; Y276-T302 CarbonylContact C-O 3.18Å; Y276-T302 WeakPolarHBondContact CA-O 3.42Å; Y276-T302 HydrophobicContact CD1-CG2 4.06Å; Y276-T302 WeakPolarHBondContact CD1-OG1 3.49Å; M277-T302 PolarHBondContact N-O 3.08Å; T302-T304 HydrophobicContact CG2-CG2 3.61Å; T302-D329 CarbonylContact C-O 3.58Å; T302-D329 WeakPolarHBondContact CA-O 3.43Å; T302-D329 HydrophobicContact CG2-CB 3.91Å; T302-D329 WeakPolarHBondContact CG2-OD2 3.26Å |
| 303 | I | 97.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 102.1 | 174 | -49.1 | -176.4 | 0 | 0 | 0 | 106.7 | M277 L287 L301 C306 L308 D329 L330 I333 | M277-I303 HydrophobicContact CE-CD1 3.68Å; M277-I303 HydrophobicContact CE-CG1 3.67Å; M277-I303 HydrophobicContact CE-CG2 4.33Å; M277-I303 CarbonylContact O-C 3.58Å; M277-I303 WeakPolarHBondContact O-CA 3.46Å; L287-I303 HydrophobicContact CD2-CD1 4.25Å; L301-I303 HydrophobicContact CD1-CD1 4.12Å; L301-I303 HydrophobicContact CD1-CG1 3.9Å; L301-I303 HydrophobicContact CD2-CD1 4.3Å; L301-I303 HydrophobicContact CG-CD1 4.32Å; L301-I303 HydrophobicContact CG-CG1 4.1Å; I303-C306 HydrophobicContact CG2-CB 3.77Å; I303-L308 HydrophobicContact CG2-CD1 4.24Å; I303-L308 HydrophobicContact CG2-CD2 4.5Å; I303-D329 PolarHBondContact N-O 3.5Å; I303-L330 HydrophobicContact CB-CD2 4.09Å; I303-L330 HydrophobicContact CG1-CD2 4.41Å; I303-L330 CarbonylContact O-C 3.55Å; I303-L330 WeakPolarHBondContact O-CA 3.45Å; I303-I333 HydrophobicContact CB-CD1 4.03Å; I303-I333 HydrophobicContact CG2-CD1 3.92Å; I303-I333 WeakPolarHBondContact O-CD1 3.32Å |
| 304 | T | 96.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.2 | -171.6 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | M277 N278 S279 T302 C306 D329 S331 | M277-T304 PolarHBondContact O-N 3.4Å; M277-T304 PolarHBondContact O-OG1 2.88Å; N278-T304 CarbonylContact C-O 3.55Å; N278-T304 VanDerWaalsContact CA-O 3.24Å; N278-T304 WeakPolarHBondContact CA-O 3.36Å; N278-T304 WeakPolarHBondContact CB-OG1 3.15Å; N278-T304 PolarHBondContact OD1-O 3.39Å; N278-T304 PolarHBondContact OD1-OG1 3.42Å; S279-T304 PolarHBondContact N-O 3.28Å; T302-T304 HydrophobicContact CG2-CG2 3.61Å; T304-C306 PolarHBondContact O-N 3.16Å; T304-C306 PolarHBondContact O-SG 2.7Å; T304-D329 VanDerWaalsContact CG2-OD1 3.27Å; T304-D329 WeakPolarHBondContact CG2-OD1 3.21Å; T304-S331 CarbonylContact C-O 3.41Å; T304-S331 WeakPolarHBondContact CA-O 3.28Å; T304-S331 WeakPolarHBondContact CB-O 3.42Å; T304-S331 WeakPolarHBondContact CG2-OG 3.4Å |
| 305 | N | 93.1 | Very high | 94.6 | Very high | 92 Ų | 92 | 42.7 Ų | 42.7 | 49% | 0.492 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 50.6 | 29.6 | 178.9 | -52.8 | -65.7 | 0 | 0 | 0 | 113.5 | N278 S279 S331 | N278-N305 PolarHBondContact OD1-ND2 3.11Å; S279-N305 VanDerWaalsContact CA-O 3.32Å; S279-N305 WeakPolarHBondContact CA-O 3.34Å; N305-S331 PolarHBondContact N-O 3.11Å |
| 306 | C | 92.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.054 | 20% | 0.195 | C | C | . | . | trans | -99 | 156.8 | 178.4 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | V280 I303 T304 | V280-C306 PolarHBondContact N-SG 3.39Å; I303-C306 HydrophobicContact CG2-CB 3.77Å; T304-C306 PolarHBondContact O-N 3.16Å; T304-C306 PolarHBondContact O-SG 2.7Å | ||
| 307 | V | 90.1 | Very high | 95 | Very high | 74 Ų | 74 | 34.8 Ų | 34.8 | 45% | 0.448 | 19% | 0.185 | S | C | . | . | trans | -92.6 | 114.1 | 169.9 | -171.9 | 0 | 0 | 0 | 0 | 107.8 | E284 | E284-V307 HydrophobicContact CG-CB 4.34Å; E284-V307 HydrophobicContact CG-CG1 3.95Å; E284-V307 WeakPolarHBondContact OE1-CG1 3.05Å | ||
| 308 | L | 91.3 | Very high | 95 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | trans | -119 | 142.5 | 175.5 | -62.8 | -171.7 | 0 | 0 | 0 | 109.5 | L287 I303 D312 L313 I333 Y338 | L287-L308 HydrophobicContact CD2-CD2 4.41Å; I303-L308 HydrophobicContact CG2-CD1 4.24Å; I303-L308 HydrophobicContact CG2-CD2 4.5Å; L308-D312 HydrophobicContact CB-CB 4.25Å; L308-D312 HydrophobicContact CD2-CB 4.33Å; L308-L313 HydrophobicContact CD1-CD2 4.44Å; L308-I333 HydrophobicContact CB-CG2 4.16Å; L308-I333 HydrophobicContact CD1-CD1 3.55Å; L308-I333 HydrophobicContact CD1-CG1 4.38Å; L308-I333 HydrophobicContact CD1-CG2 4.28Å; L308-I333 HydrophobicContact CG-CD1 4.2Å; L308-I333 HydrophobicContact CG-CG2 4.28Å; L308-Y338 PolarHBondContact O-OH 2.57Å | ||
| 309 | L | 92.9 | Very high | 94.9 | Very high | 63 Ų | 63 | 38.2 Ų | 38.2 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | trans | -87 | 162.7 | 169.9 | -58.2 | -177.3 | 0 | 0 | 0 | 110.7 | E284 S311 D312 L313 | E284-L309 HydrophobicContact CG-CD2 4.32Å; E284-L309 HydrophobicContact CG-CG 4.18Å; L309-S311 PolarHBondContact O-N 2.6Å; L309-D312 PolarHBondContact N-OD2 2.98Å; L309-D312 WeakPolarHBondContact O-CB 3.43Å; L309-D312 PolarHBondContact O-N 2.89Å; L309-L313 PolarHBondContact O-N 2.9Å | ||
| 310 | E | 92.8 | Very high | 94.5 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.4 | -33.4 | 173.2 | -172.1 | 174.7 | -176.4 | 0 | 0 | 112.2 | D312 L313 K314 Y338 S339 | E310-D312 VanDerWaalsContact C-N 3.32Å; E310-D312 PolarHBondContact O-N 3.28Å; E310-L313 PolarHBondContact O-N 3.19Å; E310-K314 PolarHBondContact O-N 3.29Å; E310-K314 VanDerWaalsContact O-N 3.09Å; E310-Y338 HydrophobicContact CB-CD2 4.22Å; E310-Y338 HydrophobicContact CB-CE2 4.4Å; E310-Y338 HydrophobicContact CB-CG 4.28Å; E310-S339 WeakPolarHBondContact OE1-CB 3.34Å; E310-S339 PolarHBondContact OE1-N 3.3Å |
| 311 | S | 94.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 39.6 Ų | 39.6 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -38.9 | 172.2 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | L309 L313 K314 H315 | L309-S311 PolarHBondContact O-N 2.6Å; S311-L313 VanDerWaalsContact C-N 3.32Å; S311-L313 PolarHBondContact O-N 3.24Å; S311-K314 WeakPolarHBondContact O-CB 3.12Å; S311-K314 PolarHBondContact O-N 2.89Å; S311-K314 VanDerWaalsContact O-N 3.16Å; S311-H315 PolarHBondContact O-CD2 2.9Å; S311-H315 PolarHBondContact O-N 2.68Å |
| 312 | D | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 178.7 | -64.6 | -45.5 | 0 | 0 | 0 | 110.9 | G285 H286 L287 L308 L309 E310 H315 L316 | G285-D312 WeakPolarHBondContact CA-OD1 3.22Å; G285-D312 WeakPolarHBondContact CA-OD2 3.29Å; G285-D312 PolarHBondContact N-OD2 3.44Å; H286-D312 PolarHBondContact N-OD1 3.29Å; L287-D312 HydrophobicContact CB-CB 3.9Å; L287-D312 WeakPolarHBondContact CB-OD1 3.3Å; L287-D312 HydrophobicContact CD2-CB 4.09Å; L287-D312 PolarHBondContact N-OD1 2.95Å; L287-D312 VanDerWaalsContact N-OD1 3.16Å; L308-D312 HydrophobicContact CB-CB 4.25Å; L308-D312 HydrophobicContact CD2-CB 4.33Å; L309-D312 PolarHBondContact N-OD2 2.98Å; L309-D312 WeakPolarHBondContact O-CB 3.43Å; L309-D312 PolarHBondContact O-N 2.89Å; E310-D312 VanDerWaalsContact C-N 3.32Å; E310-D312 PolarHBondContact O-N 3.28Å; D312-H315 PolarHBondContact O-N 3.14Å; D312-L316 WeakPolarHBondContact O-CB 3.47Å; D312-L316 PolarHBondContact O-N 2.81Å |
| 313 | L | 94.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 173.4 | -65 | 172.5 | 0 | 0 | 0 | 112 | L308 L309 E310 S311 L316 S317 L335 Y338 P342 | L308-L313 HydrophobicContact CD1-CD2 4.44Å; L309-L313 PolarHBondContact O-N 2.9Å; E310-L313 PolarHBondContact O-N 3.19Å; S311-L313 VanDerWaalsContact C-N 3.32Å; S311-L313 PolarHBondContact O-N 3.24Å; L313-L316 WeakPolarHBondContact O-CB 3.14Å; L313-L316 PolarHBondContact O-N 3.02Å; L313-S317 PolarHBondContact O-N 3.49Å; L313-L335 HydrophobicContact CD1-CD2 3.5Å; L313-L335 HydrophobicContact CD2-CD2 4.27Å; L313-L335 HydrophobicContact CG-CD2 4.43Å; L313-Y338 HydrophobicContact CD1-CD2 4.05Å; L313-P342 HydrophobicContact CB-CB 4.03Å |
| 314 | K | 95.4 | Very high | 93.4 | Very high | 114 Ų | 114 | 44.3 Ų | 44.3 | 50% | 0.496 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 174.1 | -173.9 | 177.9 | 178.5 | 179.1 | 0 | 111.1 | E310 S311 L316 S317 Q318 P342 | E310-K314 PolarHBondContact O-N 3.29Å; E310-K314 VanDerWaalsContact O-N 3.09Å; S311-K314 WeakPolarHBondContact O-CB 3.12Å; S311-K314 PolarHBondContact O-N 2.89Å; S311-K314 VanDerWaalsContact O-N 3.16Å; K314-L316 VanDerWaalsContact C-N 3.3Å; K314-L316 PolarHBondContact O-N 3.06Å; K314-S317 PolarHBondContact O-N 2.95Å; K314-S317 PolarHBondContact O-OG 2.93Å; K314-Q318 WeakPolarHBondContact O-CG 3.12Å; K314-Q318 PolarHBondContact O-N 3.23Å; K314-Q318 VanDerWaalsContact O-N 3.11Å; K314-P342 HydrophobicContact CB-CG 4.39Å |
| 315 | H | 95.6 | Very high | 93.5 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 30% | 0.296 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 177.2 | -66.5 | -55.4 | 0 | 0 | 0 | 112.3 | D288 L291 S311 D312 Q318 C319 | D288-H315 HydrophobicContact CB-CB 4.01Å; L291-H315 HydrophobicContact CD1-CB 4.27Å; S311-H315 PolarHBondContact O-CD2 2.9Å; S311-H315 PolarHBondContact O-N 2.68Å; D312-H315 PolarHBondContact O-N 3.14Å; H315-Q318 PolarHBondContact O-N 3.06Å; H315-C319 PolarHBondContact O-N 3.43Å; H315-C319 VanDerWaalsContact O-N 3.12Å |
| 316 | L | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -56.8 | 173.1 | -172.3 | 64.8 | 0 | 0 | 0 | 110 | L291 L301 D312 L313 K314 Q318 C319 I322 L330 L346 | L291-L316 HydrophobicContact CD1-CB 4.25Å; L291-L316 HydrophobicContact CD1-CD1 4.11Å; L291-L316 HydrophobicContact CD2-CD1 4.01Å; L301-L316 HydrophobicContact CD2-CD1 3.53Å; L301-L316 HydrophobicContact CD2-CD2 4.43Å; D312-L316 WeakPolarHBondContact O-CB 3.47Å; D312-L316 PolarHBondContact O-N 2.81Å; L313-L316 WeakPolarHBondContact O-CB 3.14Å; L313-L316 PolarHBondContact O-N 3.02Å; K314-L316 VanDerWaalsContact C-N 3.3Å; K314-L316 PolarHBondContact O-N 3.06Å; L316-Q318 PolarHBondContact O-N 3.23Å; L316-C319 WeakPolarHBondContact O-CB 3.16Å; L316-C319 PolarHBondContact O-N 3.09Å; L316-I322 HydrophobicContact CD1-CD1 3.81Å; L316-I322 HydrophobicContact CG-CD1 4Å; L316-I322 WeakPolarHBondContact O-CD1 3.27Å; L316-L330 HydrophobicContact CD2-CD2 4.41Å; L316-L346 HydrophobicContact CD2-CD2 3.75Å; L316-L346 HydrophobicContact CG-CD2 4.02Å |
| 317 | S | 94.1 | Very high | 94 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.2 | -31.3 | -179.7 | 76.6 | 0 | 0 | 0 | 0 | 114.1 | L313 K314 P342 K349 | L313-S317 PolarHBondContact O-N 3.49Å; K314-S317 PolarHBondContact O-N 2.95Å; K314-S317 PolarHBondContact O-OG 2.93Å; S317-P342 WeakPolarHBondContact CB-O 3.48Å; S317-K349 PolarHBondContact O-NZ 2.86Å |
| 318 | Q | 93.9 | Very high | 94.4 | Very high | 115 Ų | 115 | 41 Ų | 41 | 54% | 0.537 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -84.8 | -18.5 | -178.5 | -69.1 | 176.5 | -12 | 0 | 0 | 113.4 | K314 H315 L316 K349 | K314-Q318 WeakPolarHBondContact O-CG 3.12Å; K314-Q318 PolarHBondContact O-N 3.23Å; K314-Q318 VanDerWaalsContact O-N 3.11Å; H315-Q318 PolarHBondContact O-N 3.06Å; L316-Q318 PolarHBondContact O-N 3.23Å; Q318-K349 PolarHBondContact O-NZ 3.15Å |
| 319 | C | 94.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | trans | -61.5 | 129.5 | -176.7 | -175 | 0 | 0 | 0 | 0 | 111.5 | L291 H315 L316 I322 K349 | L291-C319 HydrophobicContact CB-CB 4.3Å; L291-C319 HydrophobicContact CD1-CB 4.31Å; L291-C319 HydrophobicContact CD2-CB 4.35Å; H315-C319 PolarHBondContact O-N 3.43Å; H315-C319 VanDerWaalsContact O-N 3.12Å; L316-C319 WeakPolarHBondContact O-CB 3.16Å; L316-C319 PolarHBondContact O-N 3.09Å; C319-I322 HydrophobicContact CB-CD1 4.09Å; C319-I322 HydrophobicContact CB-CG1 4.04Å; C319-I322 HydrophobicContact CB-CG2 4.45Å; C319-I322 WeakPolarHBondContact O-CG1 3.36Å; C319-K349 PolarHBondContact O-NZ 3.19Å | ||
| 320 | P | 91.7 | Very high | 95 | Very high | 94 Ų | 94 | 38.7 Ų | 38.7 | 61% | 0.61 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -75.4 | -31.1 | 175.8 | 28.1 | -33.2 | 0 | 0 | 0 | 112.1 | I322 S323 | P320-I322 PolarHBondContact O-N 3.43Å; P320-S323 WeakPolarHBondContact O-CB 3.43Å; P320-S323 PolarHBondContact O-N 3.28Å; P320-S323 PolarHBondContact O-OG 2.95Å |
| 321 | S | 91.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -71.3 | 2.9 | -175.6 | -53.6 | 0 | 0 | 0 | 0 | 114.1 | L294 S297 L298 | L294-S321 PolarHBondContact O-OG 3.12Å; S297-S321 CarbonylContact C-O 3.58Å; S297-S321 WeakPolarHBondContact CA-O 3.28Å; L298-S321 PolarHBondContact N-O 2.77Å |
| 322 | I | 91.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -115.6 | 2.7 | 175.9 | 65.6 | 173.2 | 0 | 0 | 0 | 113.4 | L298 L301 L316 C319 P320 Q324 L325 L346 V350 | L298-I322 HydrophobicContact CD1-CG2 4.42Å; L301-I322 HydrophobicContact CD2-CG2 4.49Å; L316-I322 HydrophobicContact CD1-CD1 3.81Å; L316-I322 HydrophobicContact CG-CD1 4Å; L316-I322 WeakPolarHBondContact O-CD1 3.27Å; C319-I322 HydrophobicContact CB-CD1 4.09Å; C319-I322 HydrophobicContact CB-CG1 4.04Å; C319-I322 HydrophobicContact CB-CG2 4.45Å; C319-I322 WeakPolarHBondContact O-CG1 3.36Å; P320-I322 PolarHBondContact O-N 3.43Å; I322-Q324 PolarHBondContact O-N 3.2Å; I322-L325 HydrophobicContact CB-CD1 3.78Å; I322-L325 HydrophobicContact CB-CG 4.04Å; I322-L325 HydrophobicContact CG2-CD1 4.35Å; I322-L325 VanDerWaalsContact O-CG 3.27Å; I322-L325 WeakPolarHBondContact O-CG 3.36Å; I322-L325 PolarHBondContact O-N 3.22Å; I322-L346 HydrophobicContact CD1-CD1 3.31Å; I322-L346 HydrophobicContact CG1-CD1 4.19Å; I322-V350 VanDerWaalsContact O-CG1 3.23Å; I322-V350 WeakPolarHBondContact O-CG1 3.12Å |
| 323 | S | 91.9 | Very high | 95.1 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 27% | 0.266 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -4.9 | -178.6 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | P320 | P320-S323 WeakPolarHBondContact O-CB 3.43Å; P320-S323 PolarHBondContact O-N 3.28Å; P320-S323 PolarHBondContact O-OG 2.95Å |
| 324 | Q | 94.1 | Very high | 95 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 19.4 | -174.6 | -65.4 | -67.8 | -50.7 | 0 | 0 | 112 | L298 K299 I322 | L298-Q324 CarbonylContact O-C 3.46Å; K299-Q324 VanDerWaalsContact CD-O 3.28Å; K299-Q324 WeakPolarHBondContact CD-O 3.38Å; I322-Q324 PolarHBondContact O-N 3.2Å |
| 325 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -63.8 | 133.9 | 179.3 | -78.3 | 176.1 | 0 | 0 | 0 | 110.8 | L298 L301 I322 L328 V350 T353 L354 | L298-L325 HydrophobicContact CB-CD2 3.82Å; L298-L325 PolarHBondContact O-N 3.39Å; L301-L325 HydrophobicContact CB-CD1 4.04Å; L301-L325 HydrophobicContact CB-CD2 3.69Å; L301-L325 HydrophobicContact CD2-CD1 4.38Å; I322-L325 HydrophobicContact CB-CD1 3.78Å; I322-L325 HydrophobicContact CB-CG 4.04Å; I322-L325 HydrophobicContact CG2-CD1 4.35Å; I322-L325 VanDerWaalsContact O-CG 3.27Å; I322-L325 WeakPolarHBondContact O-CG 3.36Å; I322-L325 PolarHBondContact O-N 3.22Å; L325-L328 HydrophobicContact CD1-CD1 4.33Å; L325-V350 HydrophobicContact CB-CG1 4.1Å; L325-T353 CarbonylContact O-C 3.47Å; L325-T353 VanDerWaalsContact O-C 3.3Å; L325-T353 WeakPolarHBondContact O-CB 3.48Å; L325-T353 PolarHBondContact O-OG1 2.98Å; L325-L354 PolarHBondContact O-N 2.9Å | ||
| 326 | K | 98.3 | Very high | 94.8 | Very high | 84 Ų | 84 | 37 Ų | 37 | 37% | 0.365 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -99.5 | -28.3 | 168 | -66.1 | -178.8 | 166.7 | -121.1 | 0 | 111.9 | K299 T353 E355 Y356 | K299-K326 PolarHBondContact O-N 3.3Å; K326-T353 WeakPolarHBondContact CA-O 3.34Å; K326-E355 HydrophobicContact CB-CG 4.45Å; K326-E355 WeakPolarHBondContact CD-OE1 3.43Å; K326-E355 WeakPolarHBondContact CE-OE1 3.4Å; K326-E355 IonicContact NZ-OE1 3.52Å; K326-E355 PolarHBondContact NZ-OE1 2.92Å; K326-E355 WeakPolarHBondContact O-CA 3.37Å; K326-E355 PolarHBondContact O-N 2.9Å; K326-Y356 PolarHBondContact O-N 3.02Å |
| 327 | T | 98.6 | Very high | 94.5 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 20% | 0.202 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.7 | -178.6 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | K299 V300 L301 Y356 | K299-T327 PolarHBondContact O-N 2.96Å; K299-T327 VanDerWaalsContact O-N 3.16Å; V300-T327 HydrophobicContact CG1-CG2 3.88Å; L301-T327 PolarHBondContact N-O 3.01Å; T327-Y356 WeakPolarHBondContact CA-O 3.28Å; T327-Y356 HydrophobicContact CG2-CD1 3.61Å; T327-Y356 HydrophobicContact CG2-CE1 4.39Å; T327-Y356 HydrophobicContact CG2-CG 4.11Å |
| 328 | L | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.3 | 169.8 | 179.2 | 62.8 | 0 | 0 | 0 | 108.6 | L301 L325 L330 L346 L354 Y356 L357 D358 | L301-L328 HydrophobicContact CD2-CD1 4.3Å; L301-L328 WeakPolarHBondContact O-CA 3.34Å; L325-L328 HydrophobicContact CD1-CD1 4.33Å; L328-L330 HydrophobicContact CD1-CD1 4.25Å; L328-L330 HydrophobicContact CD1-CD2 4.05Å; L328-L330 HydrophobicContact CD1-CG 3.93Å; L328-L330 HydrophobicContact CD2-CD1 4.31Å; L328-L330 HydrophobicContact CG-CD1 4.34Å; L328-L330 HydrophobicContact CG-CG 4.16Å; L328-L346 HydrophobicContact CD1-CD2 4.39Å; L328-L346 HydrophobicContact CD2-CD2 3.61Å; L328-L346 HydrophobicContact CD2-CG 4.11Å; L328-L354 HydrophobicContact CB-CD1 3.83Å; L328-Y356 PolarHBondContact N-O 2.89Å; L328-L357 HydrophobicContact CB-CD1 4.23Å; L328-L357 HydrophobicContact CD2-CD1 4Å; L328-L357 HydrophobicContact CG-CD1 4.19Å; L328-L357 WeakPolarHBondContact O-CA 3.27Å; L328-D358 PolarHBondContact O-N 3.32Å |
| 329 | D | 98.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 116.3 | 176.2 | 174.8 | -1.4 | 0 | 0 | 0 | 108.1 | L301 T302 I303 T304 S331 Y356 D358 | L301-D329 PolarHBondContact O-N 3.18Å; T302-D329 CarbonylContact C-O 3.58Å; T302-D329 WeakPolarHBondContact CA-O 3.43Å; T302-D329 HydrophobicContact CG2-CB 3.91Å; T302-D329 WeakPolarHBondContact CG2-OD2 3.26Å; I303-D329 PolarHBondContact N-O 3.5Å; T304-D329 VanDerWaalsContact CG2-OD1 3.27Å; T304-D329 WeakPolarHBondContact CG2-OD1 3.21Å; D329-S331 VanDerWaalsContact OD1-CB 3.29Å; D329-S331 WeakPolarHBondContact OD1-CB 3.49Å; D329-S331 PolarHBondContact OD1-N 2.93Å; D329-S331 PolarHBondContact OD1-OG 3.16Å; D329-Y356 HydrophobicContact CB-CE1 4.27Å; D329-D358 HydrophobicContact CB-CB 4.13Å |
| 330 | L | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -118.5 | 20.6 | 179 | -61.8 | 177.4 | 0 | 0 | 0 | 111.4 | I303 L316 L328 I333 L343 D358 L359 C362 | I303-L330 HydrophobicContact CB-CD2 4.09Å; I303-L330 HydrophobicContact CG1-CD2 4.41Å; I303-L330 CarbonylContact O-C 3.55Å; I303-L330 WeakPolarHBondContact O-CA 3.45Å; L316-L330 HydrophobicContact CD2-CD2 4.41Å; L328-L330 HydrophobicContact CD1-CD1 4.25Å; L328-L330 HydrophobicContact CD1-CD2 4.05Å; L328-L330 HydrophobicContact CD1-CG 3.93Å; L328-L330 HydrophobicContact CD2-CD1 4.31Å; L328-L330 HydrophobicContact CG-CD1 4.34Å; L328-L330 HydrophobicContact CG-CG 4.16Å; L330-I333 HydrophobicContact CB-CD1 3.89Å; L330-I333 HydrophobicContact CD2-CD1 3.8Å; L330-I333 HydrophobicContact CG-CD1 4.43Å; L330-I333 WeakPolarHBondContact O-CB 3.24Å; L330-I333 WeakPolarHBondContact O-CG1 3.44Å; L330-I333 PolarHBondContact O-N 3.33Å; L330-L343 HydrophobicContact CD1-CD1 3.96Å; L330-D358 PolarHBondContact N-O 2.89Å; L330-L359 HydrophobicContact CB-CD2 3.99Å; L330-L359 HydrophobicContact CD1-CD2 4.21Å; L330-C362 PolarHBondContact O-SG 3.29Å; L330-C362 VanDerWaalsContact O-SG 3.37Å | ||
| 331 | S | 95.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 141.6 | -172.6 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | T304 N305 D329 I333 D360 | T304-S331 CarbonylContact C-O 3.41Å; T304-S331 WeakPolarHBondContact CA-O 3.28Å; T304-S331 WeakPolarHBondContact CB-O 3.42Å; T304-S331 WeakPolarHBondContact CG2-OG 3.4Å; N305-S331 PolarHBondContact N-O 3.11Å; D329-S331 VanDerWaalsContact OD1-CB 3.29Å; D329-S331 WeakPolarHBondContact OD1-CB 3.49Å; D329-S331 PolarHBondContact OD1-N 2.93Å; D329-S331 PolarHBondContact OD1-OG 3.16Å; S331-I333 PolarHBondContact O-N 3.06Å; S331-D360 CarbonylContact C-O 3.51Å; S331-D360 WeakPolarHBondContact CA-O 3.49Å |
| 332 | G | 93.5 | Very high | 94.9 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 8.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D360 | G332-D360 PolarHBondContact N-O 3.41Š|
| 333 | I | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | trans | -82.1 | 123.4 | 167.8 | -65.5 | 166 | 0 | 0 | 0 | 108.6 | I303 L308 L330 S331 L335 C362 | I303-I333 HydrophobicContact CB-CD1 4.03Å; I303-I333 HydrophobicContact CG2-CD1 3.92Å; I303-I333 WeakPolarHBondContact O-CD1 3.32Å; L308-I333 HydrophobicContact CB-CG2 4.16Å; L308-I333 HydrophobicContact CD1-CD1 3.55Å; L308-I333 HydrophobicContact CD1-CG1 4.38Å; L308-I333 HydrophobicContact CD1-CG2 4.28Å; L308-I333 HydrophobicContact CG-CD1 4.2Å; L308-I333 HydrophobicContact CG-CG2 4.28Å; L330-I333 HydrophobicContact CB-CD1 3.89Å; L330-I333 HydrophobicContact CD2-CD1 3.8Å; L330-I333 HydrophobicContact CG-CD1 4.43Å; L330-I333 WeakPolarHBondContact O-CB 3.24Å; L330-I333 WeakPolarHBondContact O-CG1 3.44Å; L330-I333 PolarHBondContact O-N 3.33Å; S331-I333 PolarHBondContact O-N 3.06Å; I333-L335 HydrophobicContact CG2-CD2 3.82Å; I333-L335 HydrophobicContact CG2-CG 4.27Å; I333-L335 PolarHBondContact O-N 3.19Å; I333-C362 WeakPolarHBondContact O-CA 2.93Å | ||
| 334 | R | 93.3 | Very high | 95.3 | Very high | 197 Ų | 197 | 42.2 Ų | 42.2 | 74% | 0.743 | 21% | 0.214 | S | C | * | . | trans | -69.3 | 106.6 | 176.8 | -171.7 | -179.4 | -60.5 | -161.9 | -0.2 | 111 | ||||
| 335 | L | 94.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -105.6 | 1.5 | 177 | -60.4 | -177.6 | 0 | 0 | 0 | 113.1 | L313 I333 N337 Y338 L340 L343 C362 I364 Q368 | L313-L335 HydrophobicContact CD1-CD2 3.5Å; L313-L335 HydrophobicContact CD2-CD2 4.27Å; L313-L335 HydrophobicContact CG-CD2 4.43Å; I333-L335 HydrophobicContact CG2-CD2 3.82Å; I333-L335 HydrophobicContact CG2-CG 4.27Å; I333-L335 PolarHBondContact O-N 3.19Å; L335-N337 PolarHBondContact O-N 3.15Å; L335-Y338 HydrophobicContact CD2-CD2 4.29Å; L335-Y338 PolarHBondContact O-N 3.41Å; L335-Y338 VanDerWaalsContact O-N 3.15Å; L335-L340 HydrophobicContact CB-CD2 4.19Å; L335-L340 HydrophobicContact CD1-CD2 4.2Å; L335-L343 HydrophobicContact CD1-CD2 4.39Å; L335-C362 WeakPolarHBondContact CA-O 3.42Å; L335-C362 HydrophobicContact CB-CB 4.21Å; L335-C362 HydrophobicContact CD1-CB 3.87Å; L335-C362 HydrophobicContact CG-CB 4.03Å; L335-C362 PolarHBondContact N-O 3.05Å; L335-I364 HydrophobicContact CB-CG1 4.09Å; L335-I364 HydrophobicContact CD1-CD1 4.12Å; L335-I364 HydrophobicContact CD1-CG1 4.32Å; L335-Q368 PolarHBondContact O-NE2 3.19Å | ||
| 336 | T | 91.4 | Very high | 95.4 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 29% | 0.288 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 129.9 | 176.9 | -45.5 | 0 | 0 | 0 | 0 | 111 | Y338 C362 G363 | T336-Y338 PolarHBondContact O-N 2.92Å; T336-C362 PolarHBondContact N-O 2.77Å; T336-G363 WeakPolarHBondContact CA-O 3.46Å; T336-G363 WeakPolarHBondContact CB-O 3.47Å; T336-G363 WeakPolarHBondContact OG1-CA 3.43Å; T336-G363 PolarHBondContact OG1-O 3.37Å |
| 337 | N | 88.8 | Confident | 95.4 | Very high | 134 Ų | 134 | 38.2 Ų | 38.2 | 72% | 0.717 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 7.8 | -179.6 | -52.4 | -38.8 | 0 | 0 | 0 | 116.4 | L335 | L335-N337 PolarHBondContact O-N 3.15Š|
| 338 | Y | 93.3 | Very high | 95.3 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 26% | 0.263 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -86.9 | 154.1 | 172.4 | -71 | -0.9 | 0 | 0 | 0 | 112.1 | L308 E310 L313 L335 T336 L340 Q368 | L308-Y338 PolarHBondContact O-OH 2.57Å; E310-Y338 HydrophobicContact CB-CD2 4.22Å; E310-Y338 HydrophobicContact CB-CE2 4.4Å; E310-Y338 HydrophobicContact CB-CG 4.28Å; L313-Y338 HydrophobicContact CD1-CD2 4.05Å; L335-Y338 HydrophobicContact CD2-CD2 4.29Å; L335-Y338 PolarHBondContact O-N 3.41Å; L335-Y338 VanDerWaalsContact O-N 3.15Å; T336-Y338 PolarHBondContact O-N 2.92Å; Y338-L340 PolarHBondContact O-N 2.93Å; Y338-Q368 PolarHBondContact O-NE2 3.21Å |
| 339 | S | 93.9 | Very high | 95.1 | Very high | 49 Ų | 49 | 43.8 Ų | 43.8 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | trans | -68 | 126.4 | 164.6 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | E310 V341 P342 | E310-S339 WeakPolarHBondContact OE1-CB 3.34Å; E310-S339 PolarHBondContact OE1-N 3.3Å; S339-V341 VanDerWaalsContact C-N 3.3Å; S339-V341 WeakPolarHBondContact OG-CG2 3.32Å; S339-V341 PolarHBondContact OG-N 3.41Å; S339-P342 VanDerWaalsContact O-CD 3.32Å; S339-P342 WeakPolarHBondContact O-CD 3.36Å | ||
| 340 | L | 95.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -88.9 | 6.6 | 173.8 | -62.5 | -166.8 | 0 | 0 | 0 | 113.3 | L335 Y338 P342 L343 Q344 I364 Q368 A371 I372 | L335-L340 HydrophobicContact CB-CD2 4.19Å; L335-L340 HydrophobicContact CD1-CD2 4.2Å; Y338-L340 PolarHBondContact O-N 2.93Å; L340-P342 VanDerWaalsContact C-N 3.34Å; L340-L343 HydrophobicContact CD2-CD2 4.48Å; L340-L343 WeakPolarHBondContact O-CA 3.43Å; L340-L343 WeakPolarHBondContact O-CB 3.44Å; L340-L343 PolarHBondContact O-N 3.42Å; L340-Q344 PolarHBondContact O-N 2.83Å; L340-I364 HydrophobicContact CD1-CD1 4.15Å; L340-I364 HydrophobicContact CD1-CG1 4.18Å; L340-I364 HydrophobicContact CD1-CG2 3.82Å; L340-Q368 HydrophobicContact CD1-CB 3.75Å; L340-Q368 HydrophobicContact CG-CB 4.04Å; L340-A371 HydrophobicContact CB-CB 4.12Å; L340-I372 HydrophobicContact CB-CG2 3.9Å; L340-I372 HydrophobicContact CD1-CG2 4.08Å | ||
| 341 | V | 95.6 | Very high | 95 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.4 | -42.1 | 174.2 | 175 | 0 | 0 | 0 | 0 | 112.2 | S339 L343 Q344 I345 | S339-V341 VanDerWaalsContact C-N 3.3Å; S339-V341 WeakPolarHBondContact OG-CG2 3.32Å; S339-V341 PolarHBondContact OG-N 3.41Å; V341-L343 VanDerWaalsContact C-N 3.32Å; V341-L343 PolarHBondContact O-N 2.73Å; V341-Q344 WeakPolarHBondContact O-CB 3.27Å; V341-Q344 PolarHBondContact O-N 3.25Å; V341-I345 HydrophobicContact CG1-CD1 3.97Å; V341-I345 HydrophobicContact CG1-CG1 4.49Å; V341-I345 WeakPolarHBondContact O-CG1 3.48Å; V341-I345 PolarHBondContact O-N 3.48Å |
| 342 | P | 95.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -39 | 172.7 | -26 | 37.1 | 0 | 0 | 0 | 113.7 | L313 K314 S317 S339 L340 I345 L346 | L313-P342 HydrophobicContact CB-CB 4.03Å; K314-P342 HydrophobicContact CB-CG 4.39Å; S317-P342 WeakPolarHBondContact CB-O 3.48Å; S339-P342 VanDerWaalsContact O-CD 3.32Å; S339-P342 WeakPolarHBondContact O-CD 3.36Å; L340-P342 VanDerWaalsContact C-N 3.34Å; P342-I345 PolarHBondContact O-N 2.87Å; P342-L346 WeakPolarHBondContact O-CB 3.45Å; P342-L346 PolarHBondContact O-N 3.13Å |
| 343 | L | 96.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 177.2 | -177.7 | 57.6 | 0 | 0 | 0 | 111 | L330 L335 L340 V341 L346 L347 L359 I372 | L330-L343 HydrophobicContact CD1-CD1 3.96Å; L335-L343 HydrophobicContact CD1-CD2 4.39Å; L340-L343 HydrophobicContact CD2-CD2 4.48Å; L340-L343 WeakPolarHBondContact O-CA 3.43Å; L340-L343 WeakPolarHBondContact O-CB 3.44Å; L340-L343 PolarHBondContact O-N 3.42Å; V341-L343 VanDerWaalsContact C-N 3.32Å; V341-L343 PolarHBondContact O-N 2.73Å; L343-L346 HydrophobicContact CD1-CD2 4.2Å; L343-L346 WeakPolarHBondContact O-CB 3.44Å; L343-L346 PolarHBondContact O-N 3.47Å; L343-L347 HydrophobicContact CD1-CG 4.43Å; L343-L347 HydrophobicContact CG-CD1 4.45Å; L343-L347 WeakPolarHBondContact O-CG 3.31Å; L343-L347 PolarHBondContact O-N 3.44Å; L343-L359 HydrophobicContact CD2-CD1 4.1Å; L343-L359 HydrophobicContact CD2-CD2 4.09Å; L343-I372 HydrophobicContact CB-CG2 4.24Å; L343-I372 HydrophobicContact CD2-CG2 4.04Å; L343-I372 HydrophobicContact CG-CG2 4.04Å |
| 344 | Q | 96.5 | Very high | 95.4 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.8 | -52 | 171.3 | -176.6 | -165.7 | -14.8 | 0 | 0 | 111.2 | L340 V341 L346 L347 E348 A371 A375 | L340-Q344 PolarHBondContact O-N 2.83Å; V341-Q344 WeakPolarHBondContact O-CB 3.27Å; V341-Q344 PolarHBondContact O-N 3.25Å; Q344-L346 VanDerWaalsContact C-N 3.27Å; Q344-L346 PolarHBondContact O-N 2.85Å; Q344-L347 PolarHBondContact O-N 3.24Å; Q344-L347 VanDerWaalsContact O-N 3.16Å; Q344-E348 PolarHBondContact NE2-OE1 2.79Å; Q344-E348 WeakPolarHBondContact O-CG 3.42Å; Q344-E348 PolarHBondContact O-N 3.41Å; Q344-A371 WeakPolarHBondContact CB-O 3.45Å; Q344-A371 WeakPolarHBondContact CG-O 3.39Å; Q344-A371 PolarHBondContact OE1-O 3.04Å; Q344-A371 VanDerWaalsContact OE1-O 3.12Å; Q344-A375 HydrophobicContact CG-CB 3.75Å; Q344-A375 WeakPolarHBondContact O-CB 3.18Å |
| 345 | I | 96.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 40.8 Ų | 40.8 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 179 | -67.1 | 165.5 | 0 | 0 | 0 | 111 | V341 P342 E348 K349 | V341-I345 HydrophobicContact CG1-CD1 3.97Å; V341-I345 HydrophobicContact CG1-CG1 4.49Å; V341-I345 WeakPolarHBondContact O-CG1 3.48Å; V341-I345 PolarHBondContact O-N 3.48Å; P342-I345 PolarHBondContact O-N 2.87Å; I345-E348 PolarHBondContact O-N 3.35Å; I345-K349 WeakPolarHBondContact O-CB 3.48Å; I345-K349 PolarHBondContact O-N 2.92Å |
| 346 | L | 96.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 175.6 | 174.1 | 57.5 | 0 | 0 | 0 | 111.2 | L316 I322 L328 P342 L343 Q344 E348 K349 V350 | L316-L346 HydrophobicContact CD2-CD2 3.75Å; L316-L346 HydrophobicContact CG-CD2 4.02Å; I322-L346 HydrophobicContact CD1-CD1 3.31Å; I322-L346 HydrophobicContact CG1-CD1 4.19Å; L328-L346 HydrophobicContact CD1-CD2 4.39Å; L328-L346 HydrophobicContact CD2-CD2 3.61Å; L328-L346 HydrophobicContact CD2-CG 4.11Å; P342-L346 WeakPolarHBondContact O-CB 3.45Å; P342-L346 PolarHBondContact O-N 3.13Å; L343-L346 HydrophobicContact CD1-CD2 4.2Å; L343-L346 WeakPolarHBondContact O-CB 3.44Å; L343-L346 PolarHBondContact O-N 3.47Å; Q344-L346 VanDerWaalsContact C-N 3.27Å; Q344-L346 PolarHBondContact O-N 2.85Å; L346-E348 PolarHBondContact O-N 2.8Å; L346-K349 WeakPolarHBondContact O-CB 3.33Å; L346-K349 PolarHBondContact O-N 3.46Å; L346-K349 VanDerWaalsContact O-N 3.16Å; L346-V350 HydrophobicContact CD1-CG1 4.29Å; L346-V350 WeakPolarHBondContact O-CG2 3.39Å; L346-V350 PolarHBondContact O-N 3.45Å; L346-V350 VanDerWaalsContact O-N 3.09Å |
| 347 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 178.9 | -70.1 | 176.4 | 0 | 0 | 0 | 111.7 | L343 Q344 K349 V350 A351 L354 L357 I372 A375 | L343-L347 HydrophobicContact CD1-CG 4.43Å; L343-L347 HydrophobicContact CG-CD1 4.45Å; L343-L347 WeakPolarHBondContact O-CG 3.31Å; L343-L347 PolarHBondContact O-N 3.44Å; Q344-L347 PolarHBondContact O-N 3.24Å; Q344-L347 VanDerWaalsContact O-N 3.16Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 2.86Å; L347-V350 CarbonylContact O-C 3.59Å; L347-V350 PolarHBondContact O-N 3.45Å; L347-A351 WeakPolarHBondContact O-CA 3.39Å; L347-A351 WeakPolarHBondContact O-CB 3.49Å; L347-A351 PolarHBondContact O-N 2.91Å; L347-L354 HydrophobicContact CD2-CD2 3.76Å; L347-L357 HydrophobicContact CD1-CD2 4.46Å; L347-L357 HydrophobicContact CD2-CD1 4.1Å; L347-L357 HydrophobicContact CD2-CD2 3.82Å; L347-I372 HydrophobicContact CD1-CB 4.16Å; L347-A375 HydrophobicContact CB-CB 3.66Å; L347-A375 HydrophobicContact CD1-CB 4.47Å |
| 348 | E | 96.8 | Very high | 96.6 | Very high | 76 Ų | 76 | 36.4 Ų | 36.4 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.8 | -41.3 | 174.5 | -71.7 | 176.5 | -176.8 | 0 | 0 | 111.7 | Q344 I345 L346 V350 A375 | Q344-E348 PolarHBondContact NE2-OE1 2.79Å; Q344-E348 WeakPolarHBondContact O-CG 3.42Å; Q344-E348 PolarHBondContact O-N 3.41Å; I345-E348 PolarHBondContact O-N 3.35Å; L346-E348 PolarHBondContact O-N 2.8Å; E348-V350 VanDerWaalsContact C-N 3.33Å; E348-V350 PolarHBondContact O-N 3.27Å; E348-A375 HydrophobicContact CG-CB 3.58Å |
| 349 | K | 95.8 | Very high | 96.8 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.1 | -34.1 | 178.2 | 175.7 | -179.6 | -82.7 | 175.7 | 0 | 112.7 | S317 Q318 C319 I345 L346 L347 | S317-K349 PolarHBondContact O-NZ 2.86Å; Q318-K349 PolarHBondContact O-NZ 3.15Å; C319-K349 PolarHBondContact O-NZ 3.19Å; I345-K349 WeakPolarHBondContact O-CB 3.48Å; I345-K349 PolarHBondContact O-N 2.92Å; L346-K349 WeakPolarHBondContact O-CB 3.33Å; L346-K349 PolarHBondContact O-N 3.46Å; L346-K349 VanDerWaalsContact O-N 3.16Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 2.86Å |
| 350 | V | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -104.2 | 4 | -176.6 | -55.8 | 0 | 0 | 0 | 0 | 113.9 | I322 L325 L346 L347 E348 A352 T353 L354 | I322-V350 VanDerWaalsContact O-CG1 3.23Å; I322-V350 WeakPolarHBondContact O-CG1 3.12Å; L325-V350 HydrophobicContact CB-CG1 4.1Å; L346-V350 HydrophobicContact CD1-CG1 4.29Å; L346-V350 WeakPolarHBondContact O-CG2 3.39Å; L346-V350 PolarHBondContact O-N 3.45Å; L346-V350 VanDerWaalsContact O-N 3.09Å; L347-V350 CarbonylContact O-C 3.59Å; L347-V350 PolarHBondContact O-N 3.45Å; E348-V350 VanDerWaalsContact C-N 3.33Å; E348-V350 PolarHBondContact O-N 3.27Å; V350-A352 PolarHBondContact O-N 3.05Å; V350-T353 PolarHBondContact O-N 3.15Å; V350-T353 PolarHBondContact O-OG1 2.81Å; V350-L354 HydrophobicContact CB-CB 4.41Å; V350-L354 HydrophobicContact CG2-CB 3.98Å; V350-L354 HydrophobicContact CG2-CD1 4.17Å; V350-L354 HydrophobicContact CG2-CD2 3.96Å; V350-L354 HydrophobicContact CG2-CG 4.27Å; V350-L354 WeakPolarHBondContact O-CB 3.34Å; V350-L354 PolarHBondContact O-N 3.26Å |
| 351 | A | 96.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -34.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L347 T353 R378 C379 | L347-A351 WeakPolarHBondContact O-CA 3.39Å; L347-A351 WeakPolarHBondContact O-CB 3.49Å; L347-A351 PolarHBondContact O-N 2.91Å; A351-T353 VanDerWaalsContact C-N 3.35Å; A351-T353 PolarHBondContact O-N 3.02Å; A351-R378 HydrophobicContact CB-CB 4.16Å; A351-C379 WeakPolarHBondContact O-CA 3.44Å |
| 352 | A | 96.3 | Very high | 96.8 | Very high | 87 Ų | 87 | 31.4 Ų | 31.4 | 72% | 0.719 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V350 E381 | V350-A352 PolarHBondContact O-N 3.05Å; A352-E381 WeakPolarHBondContact O-CG 3.45Å |
| 353 | T | 97.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 17% | 0.172 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | -16.3 | -175 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | L325 K326 V350 A351 E355 | L325-T353 CarbonylContact O-C 3.47Å; L325-T353 VanDerWaalsContact O-C 3.3Å; L325-T353 WeakPolarHBondContact O-CB 3.48Å; L325-T353 PolarHBondContact O-OG1 2.98Å; K326-T353 WeakPolarHBondContact CA-O 3.34Å; V350-T353 PolarHBondContact O-N 3.15Å; V350-T353 PolarHBondContact O-OG1 2.81Å; A351-T353 VanDerWaalsContact C-N 3.35Å; A351-T353 PolarHBondContact O-N 3.02Å; T353-E355 PolarHBondContact O-N 3.08Å |
| 354 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -71.2 | 117.5 | -173.5 | -169.4 | 68.4 | 0 | 0 | 0 | 111.4 | L325 L328 L347 V350 Y356 L357 E381 L382 | L325-L354 PolarHBondContact O-N 2.9Å; L328-L354 HydrophobicContact CB-CD1 3.83Å; L347-L354 HydrophobicContact CD2-CD2 3.76Å; V350-L354 HydrophobicContact CB-CB 4.41Å; V350-L354 HydrophobicContact CG2-CB 3.98Å; V350-L354 HydrophobicContact CG2-CD1 4.17Å; V350-L354 HydrophobicContact CG2-CD2 3.96Å; V350-L354 HydrophobicContact CG2-CG 4.27Å; V350-L354 WeakPolarHBondContact O-CB 3.34Å; V350-L354 PolarHBondContact O-N 3.26Å; L354-Y356 WeakPolarHBondContact CD1-O 3.44Å; L354-L357 HydrophobicContact CD2-CB 4.09Å; L354-L357 HydrophobicContact CD2-CD1 4.48Å; L354-E381 CarbonylContact O-C 3.54Å; L354-L382 HydrophobicContact CD2-CD1 4.23Å; L354-L382 HydrophobicContact CG-CD1 4.1Å; L354-L382 VanDerWaalsContact O-CA 3.29Å; L354-L382 WeakPolarHBondContact O-CA 3.37Å; L354-L382 PolarHBondContact O-N 3.34Å; L354-L382 VanDerWaalsContact O-N 3.1Å | ||
| 355 | E | 98.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 34% | 0.336 | 17% | 0.174 | S | C | . | . | trans | -104.8 | -28 | 179.7 | -66 | 170.9 | -158.7 | 0 | 0 | 112.1 | K326 T353 E381 N383 A384 | K326-E355 HydrophobicContact CB-CG 4.45Å; K326-E355 WeakPolarHBondContact CD-OE1 3.43Å; K326-E355 WeakPolarHBondContact CE-OE1 3.4Å; K326-E355 IonicContact NZ-OE1 3.52Å; K326-E355 PolarHBondContact NZ-OE1 2.92Å; K326-E355 WeakPolarHBondContact O-CA 3.37Å; K326-E355 PolarHBondContact O-N 2.9Å; T353-E355 PolarHBondContact O-N 3.08Å; E355-E381 WeakPolarHBondContact CA-O 3.48Å; E355-N383 WeakPolarHBondContact O-CA 3.42Å; E355-N383 WeakPolarHBondContact O-CB 3.42Å; E355-N383 PolarHBondContact O-N 3.01Å; E355-A384 PolarHBondContact O-N 2.92Å | ||
| 356 | Y | 98.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 30 Ų | 30 | 30% | 0.302 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.7 | -179.3 | -179.6 | -82.5 | 0 | 0 | 0 | 110.6 | K326 T327 L328 D329 L354 D358 A384 | K326-Y356 PolarHBondContact O-N 3.02Å; T327-Y356 WeakPolarHBondContact CA-O 3.28Å; T327-Y356 HydrophobicContact CG2-CD1 3.61Å; T327-Y356 HydrophobicContact CG2-CE1 4.39Å; T327-Y356 HydrophobicContact CG2-CG 4.11Å; L328-Y356 PolarHBondContact N-O 2.89Å; D329-Y356 HydrophobicContact CB-CE1 4.27Å; L354-Y356 WeakPolarHBondContact CD1-O 3.44Å; Y356-D358 HydrophobicContact CD1-CB 4.35Å; Y356-D358 HydrophobicContact CE1-CB 3.41Å; Y356-D358 VanDerWaalsContact CE1-CB 3.41Å; Y356-D358 PolarHBondContact OH-OD2 2.92Å; Y356-A384 WeakPolarHBondContact CA-O 3.43Å; Y356-A384 HydrophobicContact CD2-CB 3.59Å; Y356-A384 HydrophobicContact CE2-CB 4.09Å; Y356-A384 HydrophobicContact CG-CB 4.48Å |
| 357 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.6 | 173.4 | 178.6 | 61.5 | 0 | 0 | 0 | 110.4 | L328 L347 L354 L359 L376 L382 A384 F385 S386 | L328-L357 HydrophobicContact CB-CD1 4.23Å; L328-L357 HydrophobicContact CD2-CD1 4Å; L328-L357 HydrophobicContact CG-CD1 4.19Å; L328-L357 WeakPolarHBondContact O-CA 3.27Å; L347-L357 HydrophobicContact CD1-CD2 4.46Å; L347-L357 HydrophobicContact CD2-CD1 4.1Å; L347-L357 HydrophobicContact CD2-CD2 3.82Å; L354-L357 HydrophobicContact CD2-CB 4.09Å; L354-L357 HydrophobicContact CD2-CD1 4.48Å; L357-L359 HydrophobicContact CD1-CD1 4.38Å; L357-L359 HydrophobicContact CD1-CD2 4.18Å; L357-L359 HydrophobicContact CD1-CG 4.03Å; L357-L359 HydrophobicContact CD2-CD1 4.22Å; L357-L359 HydrophobicContact CG-CD1 4.38Å; L357-L359 HydrophobicContact CG-CG 4.19Å; L357-L376 HydrophobicContact CD2-CD1 3.76Å; L357-L382 HydrophobicContact CB-CD1 3.82Å; L357-A384 PolarHBondContact N-O 2.86Å; L357-F385 HydrophobicContact CB-CD2 4.08Å; L357-F385 HydrophobicContact CD2-CD2 3.9Å; L357-F385 HydrophobicContact CD2-CE2 3.79Å; L357-F385 HydrophobicContact CG-CD2 4.01Å; L357-F385 HydrophobicContact CG-CE2 4.14Å; L357-F385 CarbonylContact O-C 3.53Å; L357-F385 WeakPolarHBondContact O-CA 3.29Å; L357-S386 PolarHBondContact O-N 3.05Å |
| 358 | D | 98.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121 | 176.1 | -168.9 | -21.3 | 0 | 0 | 0 | 110.5 | L328 D329 L330 Y356 D360 | L328-D358 PolarHBondContact O-N 3.32Å; D329-D358 HydrophobicContact CB-CB 4.13Å; L330-D358 PolarHBondContact N-O 2.89Å; Y356-D358 HydrophobicContact CD1-CB 4.35Å; Y356-D358 HydrophobicContact CE1-CB 3.41Å; Y356-D358 VanDerWaalsContact CE1-CB 3.41Å; Y356-D358 PolarHBondContact OH-OD2 2.92Å; D358-D360 VanDerWaalsContact OD1-CB 3.28Å; D358-D360 WeakPolarHBondContact OD1-CB 3.19Å; D358-D360 PolarHBondContact OD1-N 2.82Å |
| 359 | L | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -128.7 | 31 | 179.1 | -59.6 | 175.4 | 0 | 0 | 0 | 110 | L330 L343 L357 C362 I364 I372 S386 F387 N390 | L330-L359 HydrophobicContact CB-CD2 3.99Å; L330-L359 HydrophobicContact CD1-CD2 4.21Å; L343-L359 HydrophobicContact CD2-CD1 4.1Å; L343-L359 HydrophobicContact CD2-CD2 4.09Å; L357-L359 HydrophobicContact CD1-CD1 4.38Å; L357-L359 HydrophobicContact CD1-CD2 4.18Å; L357-L359 HydrophobicContact CD1-CG 4.03Å; L357-L359 HydrophobicContact CD2-CD1 4.22Å; L357-L359 HydrophobicContact CG-CD1 4.38Å; L357-L359 HydrophobicContact CG-CG 4.19Å; L359-C362 PolarHBondContact O-SG 2.8Å; L359-C362 VanDerWaalsContact O-SG 3.41Å; L359-I364 HydrophobicContact CB-CD1 4.49Å; L359-I372 HydrophobicContact CD1-CD1 4.03Å; L359-S386 PolarHBondContact N-O 3.36Å; L359-F387 HydrophobicContact CB-CD2 3.76Å; L359-F387 HydrophobicContact CB-CE2 3.94Å; L359-F387 HydrophobicContact CD1-CD2 4.08Å; L359-F387 HydrophobicContact CD1-CE2 3.86Å; L359-N390 PolarHBondContact O-ND2 3.26Å | ||
| 360 | D | 95.3 | Very high | 95.8 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 9% | 0.086 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 144.9 | 176.6 | -84.6 | 20.2 | 0 | 0 | 0 | 111.6 | S331 G332 D358 C362 S386 F387 C388 R466 | S331-D360 CarbonylContact C-O 3.51Å; S331-D360 WeakPolarHBondContact CA-O 3.49Å; G332-D360 PolarHBondContact N-O 3.41Å; D358-D360 VanDerWaalsContact OD1-CB 3.28Å; D358-D360 WeakPolarHBondContact OD1-CB 3.19Å; D358-D360 PolarHBondContact OD1-N 2.82Å; D360-C362 PolarHBondContact O-N 3.37Å; D360-S386 VanDerWaalsContact CG-OG 3.24Å; D360-S386 VanDerWaalsContact OD1-CB 3.23Å; D360-S386 WeakPolarHBondContact OD1-CB 3.5Å; D360-S386 PolarHBondContact OD1-OG 3.18Å; D360-S386 PolarHBondContact OD2-OG 3.45Å; D360-F387 PolarHBondContact OD1-N 3.09Å; D360-F387 VanDerWaalsContact OD1-N 3.1Å; D360-C388 CarbonylContact C-O 3.07Å; D360-C388 VanDerWaalsContact CA-O 3.22Å; D360-C388 WeakPolarHBondContact CA-O 3.43Å; D360-C388 PolarHBondContact OD1-N 2.96Å; D360-R466 IonicContact OD2-NH1 2.73Å; D360-R466 PolarHBondContact OD2-NH1 3.25Å |
| 361 | D | 93.6 | Very high | 95.5 | Very high | 64 Ų | 64 | 33 Ų | 33 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 26.9 | 173.5 | -57.5 | -53.6 | 0 | 0 | 0 | 115.5 | G363 C388 R466 | D361-G363 VanDerWaalsContact C-N 3.26Å; D361-G363 PolarHBondContact O-N 2.92Å; D361-C388 PolarHBondContact N-O 2.79Å; D361-R466 IonicContact OD1-CZ 3.94Å; D361-R466 IonicContact OD1-NH1 2.85Å; D361-R466 IonicContact OD1-NH2 3.78Å; D361-R466 PolarHBondContact OD1-NH2 2.98Å; D361-R466 IonicContact OD2-CZ 2.66Å; D361-R466 IonicContact OD2-NH1 3.48Å; D361-R466 PolarHBondContact OD2-NH1 3.48Å; D361-R466 IonicContact OD2-NH2 3.37Å; D361-R466 PolarHBondContact OD2-NH2 3.35Å |
| 362 | C | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -79.7 | -11.6 | 179.4 | -72.1 | 0 | 0 | 0 | 0 | 113.2 | L330 I333 L335 T336 L359 D360 I364 N390 | L330-C362 PolarHBondContact O-SG 3.29Å; L330-C362 VanDerWaalsContact O-SG 3.37Å; I333-C362 WeakPolarHBondContact O-CA 2.93Å; L335-C362 WeakPolarHBondContact CA-O 3.42Å; L335-C362 HydrophobicContact CB-CB 4.21Å; L335-C362 HydrophobicContact CD1-CB 3.87Å; L335-C362 HydrophobicContact CG-CB 4.03Å; L335-C362 PolarHBondContact N-O 3.05Å; T336-C362 PolarHBondContact N-O 2.77Å; L359-C362 PolarHBondContact O-SG 2.8Å; L359-C362 VanDerWaalsContact O-SG 3.41Å; D360-C362 PolarHBondContact O-N 3.37Å; C362-I364 HydrophobicContact CB-CD1 3.73Å; C362-I364 HydrophobicContact CB-CG1 3.68Å; C362-I364 PolarHBondContact O-N 3.08Å; C362-N390 PolarHBondContact N-OD1 3.16Å | ||
| 363 | G | 94.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | trans | 62.8 | 30.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T336 D361 N390 | T336-G363 WeakPolarHBondContact CA-O 3.46Å; T336-G363 WeakPolarHBondContact CB-O 3.47Å; T336-G363 WeakPolarHBondContact OG1-CA 3.43Å; T336-G363 PolarHBondContact OG1-O 3.37Å; D361-G363 VanDerWaalsContact C-N 3.26Å; D361-G363 PolarHBondContact O-N 2.92Å; G363-N390 PolarHBondContact N-OD1 2.92Å | ||
| 364 | I | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -71.8 | 125.8 | 176.6 | -62.5 | 167.7 | 0 | 0 | 0 | 108.7 | L335 L340 L359 C362 Q368 V369 F387 N390 P391 | L335-I364 HydrophobicContact CB-CG1 4.09Å; L335-I364 HydrophobicContact CD1-CD1 4.12Å; L335-I364 HydrophobicContact CD1-CG1 4.32Å; L340-I364 HydrophobicContact CD1-CD1 4.15Å; L340-I364 HydrophobicContact CD1-CG1 4.18Å; L340-I364 HydrophobicContact CD1-CG2 3.82Å; L359-I364 HydrophobicContact CB-CD1 4.49Å; C362-I364 HydrophobicContact CB-CD1 3.73Å; C362-I364 HydrophobicContact CB-CG1 3.68Å; C362-I364 PolarHBondContact O-N 3.08Å; I364-Q368 HydrophobicContact CG2-CB 3.85Å; I364-V369 HydrophobicContact CG2-CG2 3.75Å; I364-F387 HydrophobicContact CB-CZ 3.99Å; I364-F387 HydrophobicContact CD1-CE2 3.69Å; I364-F387 HydrophobicContact CD1-CZ 3.77Å; I364-F387 HydrophobicContact CG1-CZ 4.49Å; I364-F387 HydrophobicContact CG2-CZ 3.95Å; I364-N390 HydrophobicContact CB-CB 4.49Å; I364-N390 WeakPolarHBondContact CB-OD1 3.32Å; I364-N390 PolarHBondContact N-OD1 3.04Å; I364-P391 WeakPolarHBondContact O-CD 3.36Å | ||
| 365 | I | 94.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 29.7 Ų | 29.7 | 28% | 0.282 | 17% | 0.168 | S | C | . | . | trans | -97.8 | 167.5 | 179.5 | 66.5 | 172.2 | 0 | 0 | 0 | 112.2 | S367 Q368 V369 P391 | I365-S367 VanDerWaalsContact C-N 3.31Å; I365-S367 WeakPolarHBondContact CD1-OG 3.17Å; I365-S367 WeakPolarHBondContact CG1-OG 3.47Å; I365-S367 PolarHBondContact O-N 3.28Å; I365-S367 VanDerWaalsContact O-N 3.16Å; I365-Q368 HydrophobicContact CG1-CG 3.97Å; I365-Q368 VanDerWaalsContact N-OE1 3.13Å; I365-Q368 WeakPolarHBondContact O-CB 3.49Å; I365-Q368 PolarHBondContact O-N 3.14Å; I365-V369 PolarHBondContact O-N 2.98Å; I365-P391 HydrophobicContact CG2-CG 4.18Å | ||
| 366 | D | 94.3 | Very high | 95 | Very high | 38 Ų | 38 | 26.3 Ų | 26.3 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -44.4 | -48.7 | -179.5 | -69.5 | -21.9 | 0 | 0 | 0 | 114.8 | Q368 V369 I392 S393 T396 | D366-Q368 PolarHBondContact O-N 3.45Å; D366-V369 PolarHBondContact O-N 3.07Å; D366-I392 VanDerWaalsContact OD1-CA 3.22Å; D366-I392 WeakPolarHBondContact OD1-CA 3.44Å; D366-I392 WeakPolarHBondContact OD1-CB 3.41Å; D366-S393 PolarHBondContact OD1-N 3.27Å; D366-S393 PolarHBondContact OD1-OG 2.97Å; D366-S393 VanDerWaalsContact OD2-CB 3.27Å; D366-S393 WeakPolarHBondContact OD2-CB 3.23Å; D366-S393 PolarHBondContact OD2-OG 3.12Å; D366-T396 WeakPolarHBondContact CB-OG1 3.34Å; D366-T396 VanDerWaalsContact OD1-CB 3.23Å; D366-T396 WeakPolarHBondContact OD1-CB 2.9Å; D366-T396 PolarHBondContact OD1-OG1 3.33Å |
| 367 | S | 91.4 | Very high | 94.9 | Very high | 89 Ų | 89 | 23.5 Ų | 23.5 | 62% | 0.622 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -65.7 | -24 | -177.6 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | I365 | I365-S367 VanDerWaalsContact C-N 3.31Å; I365-S367 WeakPolarHBondContact CD1-OG 3.17Å; I365-S367 WeakPolarHBondContact CG1-OG 3.47Å; I365-S367 PolarHBondContact O-N 3.28Å; I365-S367 VanDerWaalsContact O-N 3.16Å |
| 368 | Q | 94.8 | Very high | 94.7 | Very high | 16 Ų | 16 | 30 Ų | 30 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -88.4 | -32.5 | -178.2 | -66.6 | 177.6 | -68.9 | 0 | 0 | 112.4 | L335 Y338 L340 I364 I365 D366 N370 A371 | L335-Q368 PolarHBondContact O-NE2 3.19Å; Y338-Q368 PolarHBondContact O-NE2 3.21Å; L340-Q368 HydrophobicContact CD1-CB 3.75Å; L340-Q368 HydrophobicContact CG-CB 4.04Å; I364-Q368 HydrophobicContact CG2-CB 3.85Å; I365-Q368 HydrophobicContact CG1-CG 3.97Å; I365-Q368 VanDerWaalsContact N-OE1 3.13Å; I365-Q368 WeakPolarHBondContact O-CB 3.49Å; I365-Q368 PolarHBondContact O-N 3.14Å; D366-Q368 PolarHBondContact O-N 3.45Å; Q368-N370 VanDerWaalsContact C-N 3.26Å; Q368-N370 PolarHBondContact O-N 3.38Å; Q368-A371 WeakPolarHBondContact O-CB 3.07Å; Q368-A371 PolarHBondContact O-N 3.26Å; Q368-A371 VanDerWaalsContact O-N 3.09Å |
| 369 | V | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56 | -42.1 | -176.8 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | I364 I365 D366 A371 I372 L373 F387 I392 T396 | I364-V369 HydrophobicContact CG2-CG2 3.75Å; I365-V369 PolarHBondContact O-N 2.98Å; D366-V369 PolarHBondContact O-N 3.07Å; V369-A371 PolarHBondContact O-N 2.79Å; V369-I372 WeakPolarHBondContact O-CG1 3.32Å; V369-I372 PolarHBondContact O-N 2.9Å; V369-L373 HydrophobicContact CG1-CD1 4.29Å; V369-L373 HydrophobicContact CG1-CD2 3.94Å; V369-L373 HydrophobicContact CG1-CG 4.07Å; V369-L373 WeakPolarHBondContact O-CG 3.29Å; V369-L373 PolarHBondContact O-N 3.45Å; V369-F387 HydrophobicContact CG2-CE1 4.21Å; V369-F387 HydrophobicContact CG2-CZ 4.12Å; V369-I392 HydrophobicContact CG2-CG2 3.86Å; V369-T396 HydrophobicContact CB-CG2 3.68Å; V369-T396 HydrophobicContact CG1-CG2 3.83Å; V369-T396 HydrophobicContact CG2-CG2 3.7Å |
| 370 | N | 89.9 | Confident | 94.6 | Very high | 84 Ų | 84 | 34.6 Ų | 34.6 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58 | -24.5 | -178.3 | -68.3 | -30.9 | 0 | 0 | 0 | 113.8 | Q368 I372 P374 N399 | Q368-N370 VanDerWaalsContact C-N 3.26Å; Q368-N370 PolarHBondContact O-N 3.38Å; N370-I372 VanDerWaalsContact C-N 3.35Å; N370-P374 WeakPolarHBondContact O-CD 3.36Å; N370-N399 PolarHBondContact OD1-ND2 3.42Å |
| 371 | A | 91.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 24% | 0.24 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.7 | -32.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L340 Q344 Q368 V369 | L340-A371 HydrophobicContact CB-CB 4.12Å; Q344-A371 WeakPolarHBondContact CB-O 3.45Å; Q344-A371 WeakPolarHBondContact CG-O 3.39Å; Q344-A371 PolarHBondContact OE1-O 3.04Å; Q344-A371 VanDerWaalsContact OE1-O 3.12Å; Q368-A371 WeakPolarHBondContact O-CB 3.07Å; Q368-A371 PolarHBondContact O-N 3.26Å; Q368-A371 VanDerWaalsContact O-N 3.09Å; V369-A371 PolarHBondContact O-N 2.79Å |
| 372 | I | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -95.2 | -19.9 | -174.8 | 62.5 | 165.8 | 0 | 0 | 0 | 113.7 | L340 L343 L347 L359 V369 N370 A375 L376 F387 | L340-I372 HydrophobicContact CB-CG2 3.9Å; L340-I372 HydrophobicContact CD1-CG2 4.08Å; L343-I372 HydrophobicContact CB-CG2 4.24Å; L343-I372 HydrophobicContact CD2-CG2 4.04Å; L343-I372 HydrophobicContact CG-CG2 4.04Å; L347-I372 HydrophobicContact CD1-CB 4.16Å; L359-I372 HydrophobicContact CD1-CD1 4.03Å; V369-I372 WeakPolarHBondContact O-CG1 3.32Å; V369-I372 PolarHBondContact O-N 2.9Å; N370-I372 VanDerWaalsContact C-N 3.35Å; I372-A375 PolarHBondContact O-N 3.48Å; I372-L376 WeakPolarHBondContact O-CB 3.48Å; I372-L376 PolarHBondContact O-N 3.09Å; I372-F387 HydrophobicContact CD1-CE2 4.18Å |
| 373 | L | 95.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.9 | -45.1 | -176.5 | -64.4 | 178.6 | 0 | 0 | 0 | 114.3 | V369 A375 L376 S377 N399 L400 H403 | V369-L373 HydrophobicContact CG1-CD1 4.29Å; V369-L373 HydrophobicContact CG1-CD2 3.94Å; V369-L373 HydrophobicContact CG1-CG 4.07Å; V369-L373 WeakPolarHBondContact O-CG 3.29Å; V369-L373 PolarHBondContact O-N 3.45Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.41Å; L373-L376 PolarHBondContact O-N 3.05Å; L373-S377 WeakPolarHBondContact O-CB 3.4Å; L373-S377 PolarHBondContact O-N 3.02Å; L373-S377 PolarHBondContact O-OG 3.34Å; L373-N399 HydrophobicContact CD1-CB 4.49Å; L373-N399 VanDerWaalsContact CD1-ND2 3.29Å; L373-N399 WeakPolarHBondContact CD1-ND2 3.43Å; L373-L400 HydrophobicContact CD2-CB 4.16Å; L373-L400 HydrophobicContact CD2-CD1 3.36Å; L373-L400 HydrophobicContact CD2-CG 4.36Å; L373-H403 HydrophobicContact CD2-CB 4.25Å |
| 374 | P | 94.2 | Very high | 94.9 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.2 | -40.5 | -179.8 | -23.8 | 35.3 | 0 | 0 | 0 | 112.2 | N370 S377 | N370-P374 WeakPolarHBondContact O-CD 3.36Å; P374-S377 PolarHBondContact O-OG 3.2Å |
| 375 | A | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.8 | -46.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q344 L347 E348 I372 L373 S377 R378 | Q344-A375 HydrophobicContact CG-CB 3.75Å; Q344-A375 WeakPolarHBondContact O-CB 3.18Å; L347-A375 HydrophobicContact CB-CB 3.66Å; L347-A375 HydrophobicContact CD1-CB 4.47Å; E348-A375 HydrophobicContact CG-CB 3.58Å; I372-A375 PolarHBondContact O-N 3.48Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.41Å; A375-S377 VanDerWaalsContact C-N 3.27Å; A375-S377 PolarHBondContact O-N 3.07Å; A375-R378 WeakPolarHBondContact O-CB 3.29Å; A375-R378 PolarHBondContact O-N 3.17Å |
| 376 | L | 96.6 | Very high | 95 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -41.2 | 178.9 | -178.8 | 63.3 | 0 | 0 | 0 | 111.9 | L357 I372 L373 R378 C379 L382 F385 L400 T404 | L357-L376 HydrophobicContact CD2-CD1 3.76Å; I372-L376 WeakPolarHBondContact O-CB 3.48Å; I372-L376 PolarHBondContact O-N 3.09Å; L373-L376 PolarHBondContact O-N 3.05Å; L376-R378 PolarHBondContact O-N 2.66Å; L376-R378 VanDerWaalsContact O-N 3.09Å; L376-C379 WeakPolarHBondContact O-CB 3.23Å; L376-C379 PolarHBondContact O-N 3.46Å; L376-L382 HydrophobicContact CD1-CD2 3.82Å; L376-F385 HydrophobicContact CD2-CE1 4.18Å; L376-F385 HydrophobicContact CD2-CE2 4.47Å; L376-F385 HydrophobicContact CD2-CZ 4Å; L376-L400 HydrophobicContact CD2-CD1 3.71Å; L376-T404 HydrophobicContact CD2-CG2 4.34Å |
| 377 | S | 95.1 | Very high | 95.1 | Very high | 17 Ų | 17 | 35 Ų | 35 | 12% | 0.119 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.2 | 179.2 | 77.3 | 0 | 0 | 0 | 0 | 113.7 | L373 P374 A375 I406 | L373-S377 WeakPolarHBondContact O-CB 3.4Å; L373-S377 PolarHBondContact O-N 3.02Å; L373-S377 PolarHBondContact O-OG 3.34Å; P374-S377 PolarHBondContact O-OG 3.2Å; A375-S377 VanDerWaalsContact C-N 3.27Å; A375-S377 PolarHBondContact O-N 3.07Å; S377-I406 VanDerWaalsContact O-CD1 3.23Å; S377-I406 WeakPolarHBondContact O-CD1 3.27Å |
| 378 | R | 95.9 | Very high | 95.1 | Very high | 136 Ų | 136 | 30.8 Ų | 30.8 | 51% | 0.513 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6 | 177.1 | -62.5 | 173.5 | 178.6 | 172.9 | 0.4 | 113.3 | A351 A375 L376 F380 | A351-R378 HydrophobicContact CB-CB 4.16Å; A375-R378 WeakPolarHBondContact O-CB 3.29Å; A375-R378 PolarHBondContact O-N 3.17Å; L376-R378 PolarHBondContact O-N 2.66Å; L376-R378 VanDerWaalsContact O-N 3.09Å; R378-F380 VanDerWaalsContact C-N 3.26Å; R378-F380 VanDerWaalsContact O-CD2 3.22Å; R378-F380 WeakPolarHBondContact O-CD2 3.44Å; R378-F380 PolarHBondContact O-N 3.31Å |
| 379 | C | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -80 | 65.4 | -178.2 | -62 | 0 | 0 | 0 | 0 | 111.9 | A351 L376 E381 L382 L407 | A351-C379 WeakPolarHBondContact O-CA 3.44Å; L376-C379 WeakPolarHBondContact O-CB 3.23Å; L376-C379 PolarHBondContact O-N 3.46Å; C379-E381 PolarHBondContact O-N 2.76Å; C379-L382 HydrophobicContact CB-CB 4.12Å; C379-L382 WeakPolarHBondContact O-CB 3.22Å; C379-L382 PolarHBondContact O-N 2.97Å; C379-L407 WeakPolarHBondContact O-CD2 3.45Å | ||
| 380 | F | 95.3 | Very high | 94.8 | Very high | 111 Ų | 111 | 31 Ų | 31 | 49% | 0.487 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.2 | -172.2 | -61.7 | -68.1 | 0 | 0 | 0 | 114.8 | R378 L382 I406 L407 N409 | R378-F380 VanDerWaalsContact C-N 3.26Å; R378-F380 VanDerWaalsContact O-CD2 3.22Å; R378-F380 WeakPolarHBondContact O-CD2 3.44Å; R378-F380 PolarHBondContact O-N 3.31Å; F380-L382 VanDerWaalsContact C-N 3.26Å; F380-I406 HydrophobicContact CE1-CD1 4.37Å; F380-L407 HydrophobicContact CD1-CD2 4.28Å; F380-N409 WeakPolarHBondContact O-CB 3.37Å; F380-N409 PolarHBondContact O-ND2 3.48Å |
| 381 | E | 96.5 | Very high | 95 | Very high | 92 Ų | 92 | 29.8 Ų | 29.8 | 43% | 0.43 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.9 | 175.3 | -62.2 | -55.5 | 130.8 | 0 | 0 | 113.1 | A352 L354 E355 C379 N383 | A352-E381 WeakPolarHBondContact O-CG 3.45Å; L354-E381 CarbonylContact O-C 3.54Å; E355-E381 WeakPolarHBondContact CA-O 3.48Å; C379-E381 PolarHBondContact O-N 2.76Å; E381-N383 PolarHBondContact O-N 3.35Å |
| 382 | L | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -65.6 | 120.4 | -175 | -165.6 | 69.5 | 0 | 0 | 0 | 110.8 | L354 L357 L376 C379 F380 A384 F385 L407 N409 L410 | L354-L382 HydrophobicContact CD2-CD1 4.23Å; L354-L382 HydrophobicContact CG-CD1 4.1Å; L354-L382 VanDerWaalsContact O-CA 3.29Å; L354-L382 WeakPolarHBondContact O-CA 3.37Å; L354-L382 PolarHBondContact O-N 3.34Å; L354-L382 VanDerWaalsContact O-N 3.1Å; L357-L382 HydrophobicContact CB-CD1 3.82Å; L376-L382 HydrophobicContact CD1-CD2 3.82Å; C379-L382 HydrophobicContact CB-CB 4.12Å; C379-L382 WeakPolarHBondContact O-CB 3.22Å; C379-L382 PolarHBondContact O-N 2.97Å; F380-L382 VanDerWaalsContact C-N 3.26Å; L382-A384 WeakPolarHBondContact CD1-O 3.41Å; L382-F385 HydrophobicContact CD2-CB 4.02Å; L382-F385 HydrophobicContact CD2-CG 4.45Å; L382-L407 HydrophobicContact CD2-CD1 4.01Å; L382-N409 CarbonylContact O-C 3.5Å; L382-N409 VanDerWaalsContact O-C 3.31Å; L382-L410 HydrophobicContact CD2-CD1 4.21Å; L382-L410 HydrophobicContact CG-CD1 4.05Å; L382-L410 VanDerWaalsContact O-CA 3.32Å; L382-L410 WeakPolarHBondContact O-CA 3.47Å; L382-L410 PolarHBondContact O-N 3.19Å; L382-L410 VanDerWaalsContact O-N 3.14Å | ||
| 383 | N | 95.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 29 Ų | 29 | 39% | 0.39 | 15% | 0.152 | S | C | . | . | trans | -106.5 | -32.9 | -178.3 | -178.3 | 14.8 | 0 | 0 | 0 | 111.6 | E355 E381 N409 C411 V412 | E355-N383 WeakPolarHBondContact O-CA 3.42Å; E355-N383 WeakPolarHBondContact O-CB 3.42Å; E355-N383 PolarHBondContact O-N 3.01Å; E381-N383 PolarHBondContact O-N 3.35Å; N383-N409 PolarHBondContact OD1-O 2.8Å; N383-C411 PolarHBondContact O-N 3.17Å; N383-C411 WeakPolarHBondContact OD1-CB 3.49Å; N383-C411 PolarHBondContact OD1-SG 3.16Å; N383-V412 PolarHBondContact O-N 3.41Å; N383-V412 VanDerWaalsContact O-N 3.14Å | ||
| 384 | A | 96.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E355 Y356 L357 L382 V412 | E355-A384 PolarHBondContact O-N 2.92Å; Y356-A384 WeakPolarHBondContact CA-O 3.43Å; Y356-A384 HydrophobicContact CD2-CB 3.59Å; Y356-A384 HydrophobicContact CE2-CB 4.09Å; Y356-A384 HydrophobicContact CG-CB 4.48Å; L357-A384 PolarHBondContact N-O 2.86Å; L382-A384 WeakPolarHBondContact CD1-O 3.41Å; A384-V412 VanDerWaalsContact CA-O 3.3Å; A384-V412 WeakPolarHBondContact CA-O 3.35Å; A384-V412 HydrophobicContact CB-CB 4.38Å |
| 385 | F | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.9 | 176.7 | 178.4 | -130.4 | 0 | 0 | 0 | 110.7 | L357 L376 L382 F387 L400 T404 L410 V412 E413 V414 Y415 | L357-F385 HydrophobicContact CB-CD2 4.08Å; L357-F385 HydrophobicContact CD2-CD2 3.9Å; L357-F385 HydrophobicContact CD2-CE2 3.79Å; L357-F385 HydrophobicContact CG-CD2 4.01Å; L357-F385 HydrophobicContact CG-CE2 4.14Å; L357-F385 CarbonylContact O-C 3.53Å; L357-F385 WeakPolarHBondContact O-CA 3.29Å; L376-F385 HydrophobicContact CD2-CE1 4.18Å; L376-F385 HydrophobicContact CD2-CE2 4.47Å; L376-F385 HydrophobicContact CD2-CZ 4Å; L382-F385 HydrophobicContact CD2-CB 4.02Å; L382-F385 HydrophobicContact CD2-CG 4.45Å; F385-F387 HydrophobicContact CE1-CB 4.08Å; F385-F387 HydrophobicContact CE2-CB 4.3Å; F385-F387 HydrophobicContact CE2-CD2 4.04Å; F385-F387 HydrophobicContact CZ-CB 3.74Å; F385-F387 AromaticContact CZ-CD2 3.64Å; F385-F387 HydrophobicContact CZ-CD2 3.64Å; F385-F387 AromaticContact CZ-CG 3.91Å; F385-F387 HydrophobicContact CZ-CG 3.91Å; F385-L400 HydrophobicContact CE1-CD1 4.02Å; F385-L400 HydrophobicContact CE1-CD2 4.11Å; F385-L400 HydrophobicContact CE1-CG 4.34Å; F385-L400 HydrophobicContact CZ-CD1 4.27Å; F385-L400 HydrophobicContact CZ-CD2 4.46Å; F385-T404 HydrophobicContact CD1-CG2 4.43Å; F385-L410 HydrophobicContact CB-CD1 4Å; F385-V412 PolarHBondContact N-O 2.86Å; F385-E413 CarbonylContact O-C 3.46Å; F385-E413 WeakPolarHBondContact O-CA 3.42Å; F385-V414 PolarHBondContact O-N 3.48Å; F385-Y415 HydrophobicContact CD1-CE1 4.05Å; F385-Y415 AromaticContact CE1-CE1 3.78Å; F385-Y415 HydrophobicContact CE1-CE1 3.78Å |
| 386 | S | 95.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.8 | 175.5 | -156.4 | 0 | 0 | 0 | 0 | 110.7 | L357 L359 D360 | L357-S386 PolarHBondContact O-N 3.05Å; L359-S386 PolarHBondContact N-O 3.36Å; D360-S386 VanDerWaalsContact CG-OG 3.24Å; D360-S386 VanDerWaalsContact OD1-CB 3.23Å; D360-S386 WeakPolarHBondContact OD1-CB 3.5Å; D360-S386 PolarHBondContact OD1-OG 3.18Å; D360-S386 PolarHBondContact OD2-OG 3.45Å |
| 387 | F | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -140.9 | 21.2 | -176.4 | -155.6 | -103.7 | 0 | 0 | 0 | 112.8 | L359 D360 I364 V369 I372 F385 N390 I392 L400 V414 P416 | L359-F387 HydrophobicContact CB-CD2 3.76Å; L359-F387 HydrophobicContact CB-CE2 3.94Å; L359-F387 HydrophobicContact CD1-CD2 4.08Å; L359-F387 HydrophobicContact CD1-CE2 3.86Å; D360-F387 PolarHBondContact OD1-N 3.09Å; D360-F387 VanDerWaalsContact OD1-N 3.1Å; I364-F387 HydrophobicContact CB-CZ 3.99Å; I364-F387 HydrophobicContact CD1-CE2 3.69Å; I364-F387 HydrophobicContact CD1-CZ 3.77Å; I364-F387 HydrophobicContact CG1-CZ 4.49Å; I364-F387 HydrophobicContact CG2-CZ 3.95Å; V369-F387 HydrophobicContact CG2-CE1 4.21Å; V369-F387 HydrophobicContact CG2-CZ 4.12Å; I372-F387 HydrophobicContact CD1-CE2 4.18Å; F385-F387 HydrophobicContact CE1-CB 4.08Å; F385-F387 HydrophobicContact CE2-CB 4.3Å; F385-F387 HydrophobicContact CE2-CD2 4.04Å; F385-F387 HydrophobicContact CZ-CB 3.74Å; F385-F387 AromaticContact CZ-CD2 3.64Å; F385-F387 HydrophobicContact CZ-CD2 3.64Å; F385-F387 AromaticContact CZ-CG 3.91Å; F385-F387 HydrophobicContact CZ-CG 3.91Å; F387-N390 HydrophobicContact CD1-CB 3.99Å; F387-N390 HydrophobicContact CE1-CB 3.67Å; F387-N390 HydrophobicContact CZ-CB 4.28Å; F387-N390 PolarHBondContact O-ND2 2.87Å; F387-I392 HydrophobicContact CD1-CD1 4.3Å; F387-I392 HydrophobicContact CE1-CD1 4.28Å; F387-I392 HydrophobicContact CE1-CG2 4.2Å; F387-L400 HydrophobicContact CD1-CD2 4.01Å; F387-L400 HydrophobicContact CE1-CD2 4.45Å; F387-L400 HydrophobicContact CG-CD2 4.31Å; F387-V414 PolarHBondContact N-O 2.98Å; F387-P416 HydrophobicContact CD1-CG 4.45Å; F387-P416 WeakPolarHBondContact O-CD 3.38Å | ||
| 388 | C | 92.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 159.9 | -173.4 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | D360 D361 N390 V414 Y415 C456 | D360-C388 CarbonylContact C-O 3.07Å; D360-C388 VanDerWaalsContact CA-O 3.22Å; D360-C388 WeakPolarHBondContact CA-O 3.43Å; D360-C388 PolarHBondContact OD1-N 2.96Å; D361-C388 PolarHBondContact N-O 2.79Å; C388-N390 PolarHBondContact O-N 3.2Å; C388-N390 VanDerWaalsContact O-N 3.14Å; C388-N390 PolarHBondContact O-ND2 3.04Å; C388-V414 VanDerWaalsContact SG-C 3.56Å; C388-V414 WeakPolarHBondContact SG-CG1 3.46Å; C388-Y415 PolarHBondContact SG-O 3.02Å; C388-C456 HydrophobicContact CB-CB 3.71Å; C388-C456 WeakPolarHBondContact SG-CB 3.41Å |
| 389 | G | 89.6 | Confident | 94.7 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 19% | 0.186 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 7.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 390 | N | 93.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | trans | -90.8 | 128.2 | 172.4 | -68.8 | -70.3 | 0 | 0 | 0 | 110.4 | L359 C362 G363 I364 F387 C388 I392 P416 | L359-N390 PolarHBondContact O-ND2 3.26Å; C362-N390 PolarHBondContact N-OD1 3.16Å; G363-N390 PolarHBondContact N-OD1 2.92Å; I364-N390 HydrophobicContact CB-CB 4.49Å; I364-N390 WeakPolarHBondContact CB-OD1 3.32Å; I364-N390 PolarHBondContact N-OD1 3.04Å; F387-N390 HydrophobicContact CD1-CB 3.99Å; F387-N390 HydrophobicContact CE1-CB 3.67Å; F387-N390 HydrophobicContact CZ-CB 4.28Å; F387-N390 PolarHBondContact O-ND2 2.87Å; C388-N390 PolarHBondContact O-N 3.2Å; C388-N390 VanDerWaalsContact O-N 3.14Å; C388-N390 PolarHBondContact O-ND2 3.04Å; N390-I392 VanDerWaalsContact C-N 3.28Å; N390-I392 HydrophobicContact CB-CG2 4.38Å; N390-I392 PolarHBondContact O-N 2.85Å; N390-P416 WeakPolarHBondContact O-CB 3.5Å; N390-P416 WeakPolarHBondContact O-CG 3.27Å | ||
| 391 | P | 92.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 24.7 Ų | 24.7 | 38% | 0.377 | 15% | 0.148 | S | C | . | . | trans | -81.1 | 68.5 | -172.4 | 34.4 | -38.5 | 0 | 0 | 0 | 112.4 | I364 I365 | I364-P391 WeakPolarHBondContact O-CD 3.36Å; I365-P391 HydrophobicContact CG2-CG 4.18Å | ||
| 392 | I | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -99.1 | 150 | -178.8 | 65.8 | 175.2 | 0 | 0 | 0 | 112.4 | D366 V369 F387 N390 T396 L397 P416 R419 | D366-I392 VanDerWaalsContact OD1-CA 3.22Å; D366-I392 WeakPolarHBondContact OD1-CA 3.44Å; D366-I392 WeakPolarHBondContact OD1-CB 3.41Å; V369-I392 HydrophobicContact CG2-CG2 3.86Å; F387-I392 HydrophobicContact CD1-CD1 4.3Å; F387-I392 HydrophobicContact CE1-CD1 4.28Å; F387-I392 HydrophobicContact CE1-CG2 4.2Å; N390-I392 VanDerWaalsContact C-N 3.28Å; N390-I392 HydrophobicContact CB-CG2 4.38Å; N390-I392 PolarHBondContact O-N 2.85Å; I392-T396 HydrophobicContact CB-CG2 4.15Å; I392-T396 HydrophobicContact CG2-CG2 4.27Å; I392-L397 HydrophobicContact CD1-CB 3.87Å; I392-L397 HydrophobicContact CD1-CD1 4.04Å; I392-L397 HydrophobicContact CD1-CG 4.43Å; I392-L397 HydrophobicContact CG1-CB 4.47Å; I392-P416 HydrophobicContact CD1-CG 3.63Å; I392-P416 HydrophobicContact CG1-CG 3.64Å; I392-R419 PolarHBondContact O-N 2.87Å | ||
| 393 | S | 95.2 | Very high | 93.8 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | trans | -75.5 | 163.1 | 171.9 | 57 | 0 | 0 | 0 | 0 | 112.1 | D366 A395 T396 L397 E420 | D366-S393 PolarHBondContact OD1-N 3.27Å; D366-S393 PolarHBondContact OD1-OG 2.97Å; D366-S393 VanDerWaalsContact OD2-CB 3.27Å; D366-S393 WeakPolarHBondContact OD2-CB 3.23Å; D366-S393 PolarHBondContact OD2-OG 3.12Å; S393-A395 VanDerWaalsContact C-N 3.28Å; S393-A395 PolarHBondContact O-N 2.8Å; S393-T396 PolarHBondContact O-N 3.16Å; S393-T396 PolarHBondContact OG-N 3.3Å; S393-T396 PolarHBondContact OG-OG1 3.49Å; S393-T396 VanDerWaalsContact OG-OG1 3.12Å; S393-L397 PolarHBondContact O-N 3.08Å; S393-E420 WeakPolarHBondContact CA-OE2 3.32Å; S393-E420 VanDerWaalsContact CB-OE1 3.28Å; S393-E420 WeakPolarHBondContact CB-OE1 3.37Å | ||
| 394 | M | 94.3 | Very high | 93.5 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 15% | 0.148 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.8 | -43 | 174.2 | -179.1 | 174.2 | 175.3 | 0 | 0 | 111.2 | T396 L397 E398 P418 E420 I436 E439 L440 | M394-T396 PolarHBondContact O-N 3.25Å; M394-L397 PolarHBondContact O-N 3.39Å; M394-E398 WeakPolarHBondContact O-CG 3.17Å; M394-E398 PolarHBondContact O-N 3.37Å; M394-P418 HydrophobicContact CB-CB 4Å; M394-P418 HydrophobicContact CB-CG 4.38Å; M394-E420 VanDerWaalsContact N-CD 3.35Å; M394-E420 PolarHBondContact N-OE1 2.67Å; M394-E420 PolarHBondContact N-OE2 3.46Å; M394-I436 HydrophobicContact CG-CG2 4.45Å; M394-I436 HydrophobicContact SD-CG1 4.21Å; M394-I436 HydrophobicContact SD-CG2 4.09Å; M394-E439 HydrophobicContact CE-CB 4.45Å; M394-E439 VanDerWaalsContact CE-CD 3.49Å; M394-E439 HydrophobicContact CE-CG 4.13Å; M394-L440 HydrophobicContact CE-CD2 4.44Å; M394-L440 HydrophobicContact CG-CD2 4.39Å |
| 395 | A | 94.3 | Very high | 93 | Very high | 65 Ų | 65 | 23.2 Ų | 23.2 | 54% | 0.537 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S393 E398 N399 | S393-A395 VanDerWaalsContact C-N 3.28Å; S393-A395 PolarHBondContact O-N 2.8Å; A395-E398 PolarHBondContact O-N 3.32Å; A395-N399 PolarHBondContact O-N 2.96Å |
| 396 | T | 95.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 175 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | D366 V369 I392 S393 M394 N399 L400 | D366-T396 WeakPolarHBondContact CB-OG1 3.34Å; D366-T396 VanDerWaalsContact OD1-CB 3.23Å; D366-T396 WeakPolarHBondContact OD1-CB 2.9Å; D366-T396 PolarHBondContact OD1-OG1 3.33Å; V369-T396 HydrophobicContact CB-CG2 3.68Å; V369-T396 HydrophobicContact CG1-CG2 3.83Å; V369-T396 HydrophobicContact CG2-CG2 3.7Å; I392-T396 HydrophobicContact CB-CG2 4.15Å; I392-T396 HydrophobicContact CG2-CG2 4.27Å; S393-T396 PolarHBondContact O-N 3.16Å; S393-T396 PolarHBondContact OG-N 3.3Å; S393-T396 PolarHBondContact OG-OG1 3.49Å; S393-T396 VanDerWaalsContact OG-OG1 3.12Å; M394-T396 PolarHBondContact O-N 3.25Å; T396-N399 WeakPolarHBondContact O-CB 3.48Å; T396-N399 PolarHBondContact O-N 3.16Å; T396-L400 PolarHBondContact O-N 3.49Å |
| 397 | L | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 178 | -178.3 | 54 | 0 | 0 | 0 | 111.8 | I392 S393 M394 N399 L400 L401 Y415 P418 L440 F455 | I392-L397 HydrophobicContact CD1-CB 3.87Å; I392-L397 HydrophobicContact CD1-CD1 4.04Å; I392-L397 HydrophobicContact CD1-CG 4.43Å; I392-L397 HydrophobicContact CG1-CB 4.47Å; S393-L397 PolarHBondContact O-N 3.08Å; M394-L397 PolarHBondContact O-N 3.39Å; L397-N399 VanDerWaalsContact C-N 3.29Å; L397-N399 PolarHBondContact O-N 3.3Å; L397-L400 HydrophobicContact CD1-CD2 4.24Å; L397-L400 PolarHBondContact O-N 3.2Å; L397-L401 HydrophobicContact CD1-CD1 4.38Å; L397-L401 HydrophobicContact CD1-CG 4.23Å; L397-L401 HydrophobicContact CG-CD1 4.14Å; L397-L401 HydrophobicContact CG-CG 4.48Å; L397-L401 WeakPolarHBondContact O-CB 3.34Å; L397-L401 VanDerWaalsContact O-CG 3.28Å; L397-L401 WeakPolarHBondContact O-CG 3.23Å; L397-L401 PolarHBondContact O-N 2.79Å; L397-Y415 HydrophobicContact CD1-CD1 3.48Å; L397-Y415 VanDerWaalsContact CD1-CD1 3.48Å; L397-Y415 HydrophobicContact CD1-CE1 4.15Å; L397-Y415 HydrophobicContact CD1-CG 3.78Å; L397-P418 HydrophobicContact CD2-CG 3.62Å; L397-L440 HydrophobicContact CD2-CD1 3.72Å; L397-L440 HydrophobicContact CG-CD1 4.38Å; L397-F455 HydrophobicContact CD2-CD1 4.41Å; L397-F455 HydrophobicContact CD2-CE1 3.93Å |
| 398 | E | 92.5 | Very high | 92 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58 | -43.9 | 171.3 | -74.7 | -177.6 | 161.7 | 0 | 0 | 111.4 | M394 A395 L401 S402 L440 R443 | M394-E398 WeakPolarHBondContact O-CG 3.17Å; M394-E398 PolarHBondContact O-N 3.37Å; A395-E398 PolarHBondContact O-N 3.32Å; E398-L401 PolarHBondContact O-N 3.01Å; E398-S402 WeakPolarHBondContact O-CB 3.38Å; E398-S402 PolarHBondContact O-N 3.4Å; E398-L440 HydrophobicContact CG-CD2 3.5Å; E398-R443 IonicContact OE1-CZ 2.76Å; E398-R443 IonicContact OE1-NE 3.53Å; E398-R443 PolarHBondContact OE1-NE 3.34Å; E398-R443 VanDerWaalsContact OE1-NE 3.13Å |
| 399 | N | 93.1 | Very high | 91.9 | Very high | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.6 | -166.6 | 21.2 | 0 | 0 | 0 | 111.3 | N370 L373 A395 T396 L397 L401 S402 H403 | N370-N399 PolarHBondContact OD1-ND2 3.42Å; L373-N399 HydrophobicContact CD1-CB 4.49Å; L373-N399 VanDerWaalsContact CD1-ND2 3.29Å; L373-N399 WeakPolarHBondContact CD1-ND2 3.43Å; A395-N399 PolarHBondContact O-N 2.96Å; T396-N399 WeakPolarHBondContact O-CB 3.48Å; T396-N399 PolarHBondContact O-N 3.16Å; L397-N399 VanDerWaalsContact C-N 3.29Å; L397-N399 PolarHBondContact O-N 3.3Å; N399-L401 PolarHBondContact O-N 3.15Å; N399-S402 WeakPolarHBondContact O-CB 3.29Å; N399-S402 PolarHBondContact O-N 2.77Å; N399-S402 VanDerWaalsContact O-N 3.15Å; N399-S402 PolarHBondContact O-OG 2.78Å; N399-H403 PolarHBondContact O-CD2 2.93Å; N399-H403 PolarHBondContact O-N 3.46Å |
| 400 | L | 94 | Very high | 92 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 176.8 | 176.5 | 61.3 | 0 | 0 | 0 | 112.2 | L373 L376 F385 F387 T396 L397 S402 H403 T404 Y415 | L373-L400 HydrophobicContact CD2-CB 4.16Å; L373-L400 HydrophobicContact CD2-CD1 3.36Å; L373-L400 HydrophobicContact CD2-CG 4.36Å; L376-L400 HydrophobicContact CD2-CD1 3.71Å; F385-L400 HydrophobicContact CE1-CD1 4.02Å; F385-L400 HydrophobicContact CE1-CD2 4.11Å; F385-L400 HydrophobicContact CE1-CG 4.34Å; F385-L400 HydrophobicContact CZ-CD1 4.27Å; F385-L400 HydrophobicContact CZ-CD2 4.46Å; F387-L400 HydrophobicContact CD1-CD2 4.01Å; F387-L400 HydrophobicContact CE1-CD2 4.45Å; F387-L400 HydrophobicContact CG-CD2 4.31Å; T396-L400 PolarHBondContact O-N 3.49Å; L397-L400 HydrophobicContact CD1-CD2 4.24Å; L397-L400 PolarHBondContact O-N 3.2Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 3.5Å; L400-H403 PolarHBondContact O-N 3.4Å; L400-T404 PolarHBondContact O-N 3.16Å; L400-Y415 HydrophobicContact CD2-CD1 3.88Å; L400-Y415 HydrophobicContact CD2-CE1 3.61Å; L400-Y415 HydrophobicContact CG-CE1 3.88Å |
| 401 | L | 91 | Very high | 91.8 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 175.8 | -72.7 | 167.3 | 0 | 0 | 0 | 111.4 | L397 E398 N399 H403 T404 I405 Y415 L440 V444 | L397-L401 HydrophobicContact CD1-CD1 4.38Å; L397-L401 HydrophobicContact CD1-CG 4.23Å; L397-L401 HydrophobicContact CG-CD1 4.14Å; L397-L401 HydrophobicContact CG-CG 4.48Å; L397-L401 WeakPolarHBondContact O-CB 3.34Å; L397-L401 VanDerWaalsContact O-CG 3.28Å; L397-L401 WeakPolarHBondContact O-CG 3.23Å; L397-L401 PolarHBondContact O-N 2.79Å; E398-L401 PolarHBondContact O-N 3.01Å; N399-L401 PolarHBondContact O-N 3.15Å; L401-H403 PolarHBondContact O-N 3.02Å; L401-T404 PolarHBondContact O-N 3.26Å; L401-T404 VanDerWaalsContact O-N 3.16Å; L401-T404 PolarHBondContact O-OG1 2.78Å; L401-T404 VanDerWaalsContact O-OG1 3.11Å; L401-I405 WeakPolarHBondContact O-CG1 3.28Å; L401-I405 PolarHBondContact O-N 3.36Å; L401-Y415 HydrophobicContact CD2-CD2 3.89Å; L401-Y415 HydrophobicContact CD2-CE1 4.23Å; L401-Y415 HydrophobicContact CD2-CE2 3.29Å; L401-Y415 VanDerWaalsContact CD2-CZ 3.49Å; L401-Y415 HydrophobicContact CG-CE2 4.46Å; L401-L440 HydrophobicContact CD1-CB 4.42Å; L401-L440 HydrophobicContact CD1-CD2 4.03Å; L401-V444 HydrophobicContact CB-CG2 4.29Å; L401-V444 HydrophobicContact CD1-CG2 3.92Å; L401-V444 HydrophobicContact CD2-CG2 3.88Å; L401-V444 HydrophobicContact CG-CG2 4.26Å |
| 402 | S | 89.9 | Confident | 91.8 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 38% | 0.378 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61 | -34.9 | 178.2 | 82.3 | 0 | 0 | 0 | 0 | 112.6 | E398 N399 L400 | E398-S402 WeakPolarHBondContact O-CB 3.38Å; E398-S402 PolarHBondContact O-N 3.4Å; N399-S402 WeakPolarHBondContact O-CB 3.29Å; N399-S402 PolarHBondContact O-N 2.77Å; N399-S402 VanDerWaalsContact O-N 3.15Å; N399-S402 PolarHBondContact O-OG 2.78Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 3.5Å |
| 403 | H | 90.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 39.2 Ų | 39.2 | 26% | 0.259 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -78.7 | -22.1 | 177.9 | -83.9 | -89.9 | 0 | 0 | 0 | 113.9 | L373 N399 L400 L401 | L373-H403 HydrophobicContact CD2-CB 4.25Å; N399-H403 PolarHBondContact O-CD2 2.93Å; N399-H403 PolarHBondContact O-N 3.46Å; L400-H403 PolarHBondContact O-N 3.4Å; L401-H403 PolarHBondContact O-N 3.02Å |
| 404 | T | 89.4 | Confident | 91.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -86.3 | -12.4 | 176.5 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | L376 F385 L400 L401 I406 L407 L410 E413 Y415 R448 | L376-T404 HydrophobicContact CD2-CG2 4.34Å; F385-T404 HydrophobicContact CD1-CG2 4.43Å; L400-T404 PolarHBondContact O-N 3.16Å; L401-T404 PolarHBondContact O-N 3.26Å; L401-T404 VanDerWaalsContact O-N 3.16Å; L401-T404 PolarHBondContact O-OG1 2.78Å; L401-T404 VanDerWaalsContact O-OG1 3.11Å; T404-I406 PolarHBondContact O-N 2.9Å; T404-L407 HydrophobicContact CG2-CD1 4.28Å; T404-L407 WeakPolarHBondContact O-CB 3.49Å; T404-L407 PolarHBondContact O-N 3.5Å; T404-L410 HydrophobicContact CG2-CD2 4.34Å; T404-E413 PolarHBondContact OG1-OE2 3.25Å; T404-Y415 WeakPolarHBondContact CG2-OH 3.35Å; T404-Y415 PolarHBondContact OG1-OH 2.84Å; T404-Y415 VanDerWaalsContact OG1-OH 3.06Å; T404-R448 PolarHBondContact O-NH1 3.27Å; T404-R448 PolarHBondContact OG1-NH2 2.88Å |
| 405 | I | 86.4 | Confident | 91.5 | Very high | 41 Ų | 41 | 38 Ų | 38 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -39.7 | 179 | -69.7 | 157.4 | 0 | 0 | 0 | 112.5 | L401 L407 L447 R448 | L401-I405 WeakPolarHBondContact O-CG1 3.28Å; L401-I405 PolarHBondContact O-N 3.36Å; I405-L407 PolarHBondContact O-N 3.28Å; I405-L447 HydrophobicContact CD1-CB 3.63Å; I405-L447 HydrophobicContact CD1-CD1 3.34Å; I405-L447 HydrophobicContact CD1-CG 3.98Å; I405-L447 HydrophobicContact CG1-CB 4.1Å; I405-L447 HydrophobicContact CG1-CD1 4.49Å; I405-L447 HydrophobicContact CG2-CB 4.44Å; I405-R448 HydrophobicContact CG2-CB 4.48Å |
| 406 | I | 88.9 | Confident | 91.5 | Very high | 86 Ų | 86 | 35.1 Ų | 35.1 | 44% | 0.441 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -11.6 | -177.1 | 64.4 | 172.7 | 0 | 0 | 0 | 113.2 | S377 F380 T404 K408 | S377-I406 VanDerWaalsContact O-CD1 3.23Å; S377-I406 WeakPolarHBondContact O-CD1 3.27Å; F380-I406 HydrophobicContact CE1-CD1 4.37Å; T404-I406 PolarHBondContact O-N 2.9Å; I406-K408 PolarHBondContact O-N 2.86Å; I406-K408 VanDerWaalsContact O-N 3.11Å |
| 407 | L | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -83.9 | 82.4 | 179.6 | -52.5 | -176.9 | 0 | 0 | 0 | 110.1 | C379 F380 L382 T404 I405 N409 L410 | C379-L407 WeakPolarHBondContact O-CD2 3.45Å; F380-L407 HydrophobicContact CD1-CD2 4.28Å; L382-L407 HydrophobicContact CD2-CD1 4.01Å; T404-L407 HydrophobicContact CG2-CD1 4.28Å; T404-L407 WeakPolarHBondContact O-CB 3.49Å; T404-L407 PolarHBondContact O-N 3.5Å; I405-L407 PolarHBondContact O-N 3.28Å; L407-N409 PolarHBondContact O-N 3.34Å; L407-L410 HydrophobicContact CB-CB 4.2Å; L407-L410 HydrophobicContact CB-CD2 4.28Å; L407-L410 HydrophobicContact CD1-CD2 4.37Å; L407-L410 VanDerWaalsContact O-CB 3.23Å; L407-L410 WeakPolarHBondContact O-CB 3.22Å; L407-L410 PolarHBondContact O-N 3.04Å | ||
| 408 | K | 87.3 | Confident | 91.2 | Very high | 183 Ų | 183 | 34.7 Ų | 34.7 | 80% | 0.796 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.6 | -174.2 | -62.3 | -179.1 | -178 | 178.3 | 0 | 114.5 | I406 L410 | I406-K408 PolarHBondContact O-N 2.86Å; I406-K408 VanDerWaalsContact O-N 3.11Å; K408-L410 VanDerWaalsContact C-N 3.32Å |
| 409 | N | 90.4 | Very high | 91.2 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.8 | -179.2 | -71.9 | -26.4 | 0 | 0 | 0 | 113.3 | F380 L382 N383 L407 C411 | F380-N409 WeakPolarHBondContact O-CB 3.37Å; F380-N409 PolarHBondContact O-ND2 3.48Å; L382-N409 CarbonylContact O-C 3.5Å; L382-N409 VanDerWaalsContact O-C 3.31Å; N383-N409 PolarHBondContact OD1-O 2.8Å; L407-N409 PolarHBondContact O-N 3.34Å; N409-C411 PolarHBondContact O-N 2.92Å; N409-C411 PolarHBondContact O-SG 3.13Å |
| 410 | L | 91 | Very high | 91.3 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -64.3 | 119.4 | -176.4 | -159.7 | 57.2 | 0 | 0 | 0 | 110.2 | L382 F385 T404 L407 K408 E413 | L382-L410 HydrophobicContact CD2-CD1 4.21Å; L382-L410 HydrophobicContact CG-CD1 4.05Å; L382-L410 VanDerWaalsContact O-CA 3.32Å; L382-L410 WeakPolarHBondContact O-CA 3.47Å; L382-L410 PolarHBondContact O-N 3.19Å; L382-L410 VanDerWaalsContact O-N 3.14Å; F385-L410 HydrophobicContact CB-CD1 4Å; T404-L410 HydrophobicContact CG2-CD2 4.34Å; L407-L410 HydrophobicContact CB-CB 4.2Å; L407-L410 HydrophobicContact CB-CD2 4.28Å; L407-L410 HydrophobicContact CD1-CD2 4.37Å; L407-L410 VanDerWaalsContact O-CB 3.23Å; L407-L410 WeakPolarHBondContact O-CB 3.22Å; L407-L410 PolarHBondContact O-N 3.04Å; K408-L410 VanDerWaalsContact C-N 3.32Å; L410-E413 HydrophobicContact CD1-CG 4.09Å; L410-E413 HydrophobicContact CD2-CG 3.45Å; L410-E413 VanDerWaalsContact CD2-CG 3.45Å; L410-E413 WeakPolarHBondContact CD2-OE2 3.43Å; L410-E413 HydrophobicContact CG-CG 3.44Å; L410-E413 VanDerWaalsContact CG-CG 3.44Å | ||
| 411 | C | 90.6 | Very high | 91.1 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | trans | -112.5 | -30.3 | -178.9 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | N383 N409 K451 R452 | N383-C411 PolarHBondContact O-N 3.17Å; N383-C411 WeakPolarHBondContact OD1-CB 3.49Å; N383-C411 PolarHBondContact OD1-SG 3.16Å; N409-C411 PolarHBondContact O-N 2.92Å; N409-C411 PolarHBondContact O-SG 3.13Å; C411-K451 HydrophobicContact CB-CD 3.96Å; C411-K451 VanDerWaalsContact SG-CD 3.58Å; C411-K451 PolarHBondContact SG-NZ 3.29Å; C411-R452 WeakPolarHBondContact O-CB 3.44Å; C411-R452 PolarHBondContact O-N 3.15Å | ||
| 412 | V | 91.4 | Very high | 91.1 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124 | 179.9 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | N383 A384 F385 V414 R452 F454 | N383-V412 PolarHBondContact O-N 3.41Å; N383-V412 VanDerWaalsContact O-N 3.14Å; A384-V412 VanDerWaalsContact CA-O 3.3Å; A384-V412 WeakPolarHBondContact CA-O 3.35Å; A384-V412 HydrophobicContact CB-CB 4.38Å; F385-V412 PolarHBondContact N-O 2.86Å; V412-V414 HydrophobicContact CG1-CG2 4.18Å; V412-R452 WeakPolarHBondContact CA-O 3.44Å; V412-F454 HydrophobicContact CG1-CD2 4.47Å; V412-F454 HydrophobicContact CG1-CE2 4.36Å |
| 413 | E | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132 | 177.7 | -56.2 | 172.1 | -111.3 | 0 | 0 | 108.9 | F385 T404 L410 Y415 R448 R452 I453 F454 | F385-E413 CarbonylContact O-C 3.46Å; F385-E413 WeakPolarHBondContact O-CA 3.42Å; T404-E413 PolarHBondContact OG1-OE2 3.25Å; L410-E413 HydrophobicContact CD1-CG 4.09Å; L410-E413 HydrophobicContact CD2-CG 3.45Å; L410-E413 VanDerWaalsContact CD2-CG 3.45Å; L410-E413 WeakPolarHBondContact CD2-OE2 3.43Å; L410-E413 HydrophobicContact CG-CG 3.44Å; L410-E413 VanDerWaalsContact CG-CG 3.44Å; E413-Y415 HydrophobicContact CB-CD2 4.23Å; E413-Y415 HydrophobicContact CB-CE2 3.55Å; E413-Y415 HydrophobicContact CG-CE2 4.4Å; E413-Y415 PolarHBondContact OE2-OH 3.46Å; E413-R448 IonicContact OE1-CZ 3.94Å; E413-R448 IonicContact OE1-NH1 3.87Å; E413-R448 IonicContact OE1-NH2 3.68Å; E413-R448 PolarHBondContact OE1-NH2 3.24Å; E413-R448 IonicContact OE2-CZ 3.74Å; E413-R448 IonicContact OE2-NH2 2.76Å; E413-R448 PolarHBondContact OE2-NH2 3.33Å; E413-R452 PolarHBondContact N-O 2.9Å; E413-I453 HydrophobicContact CB-CG1 4.13Å; E413-I453 CarbonylContact O-C 3.09Å; E413-I453 WeakPolarHBondContact O-CA 3.32Å; E413-F454 PolarHBondContact O-N 2.89Å |
| 414 | V | 92.9 | Very high | 90.6 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 115.3 | -179.6 | -152.9 | 0 | 0 | 0 | 0 | 108 | F385 F387 C388 V412 F454 F468 | F385-V414 PolarHBondContact O-N 3.48Å; F387-V414 PolarHBondContact N-O 2.98Å; C388-V414 VanDerWaalsContact SG-C 3.56Å; C388-V414 WeakPolarHBondContact SG-CG1 3.46Å; V412-V414 HydrophobicContact CG1-CG2 4.18Å; V414-F454 WeakPolarHBondContact CA-O 3.42Å; V414-F454 HydrophobicContact CG1-CB 3.92Å; V414-F468 HydrophobicContact CG1-CD1 3.75Å; V414-F468 HydrophobicContact CG1-CE1 3.72Å |
| 415 | Y | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 153.1 | -175.2 | -67.8 | -70 | 0 | 0 | 0 | 111.1 | F385 C388 L397 L400 L401 T404 E413 I453 F454 F455 C456 | F385-Y415 HydrophobicContact CD1-CE1 4.05Å; F385-Y415 AromaticContact CE1-CE1 3.78Å; F385-Y415 HydrophobicContact CE1-CE1 3.78Å; C388-Y415 PolarHBondContact SG-O 3.02Å; L397-Y415 HydrophobicContact CD1-CD1 3.48Å; L397-Y415 VanDerWaalsContact CD1-CD1 3.48Å; L397-Y415 HydrophobicContact CD1-CE1 4.15Å; L397-Y415 HydrophobicContact CD1-CG 3.78Å; L400-Y415 HydrophobicContact CD2-CD1 3.88Å; L400-Y415 HydrophobicContact CD2-CE1 3.61Å; L400-Y415 HydrophobicContact CG-CE1 3.88Å; L401-Y415 HydrophobicContact CD2-CD2 3.89Å; L401-Y415 HydrophobicContact CD2-CE1 4.23Å; L401-Y415 HydrophobicContact CD2-CE2 3.29Å; L401-Y415 VanDerWaalsContact CD2-CZ 3.49Å; L401-Y415 HydrophobicContact CG-CE2 4.46Å; T404-Y415 WeakPolarHBondContact CG2-OH 3.35Å; T404-Y415 PolarHBondContact OG1-OH 2.84Å; T404-Y415 VanDerWaalsContact OG1-OH 3.06Å; E413-Y415 HydrophobicContact CB-CD2 4.23Å; E413-Y415 HydrophobicContact CB-CE2 3.55Å; E413-Y415 HydrophobicContact CG-CE2 4.4Å; E413-Y415 PolarHBondContact OE2-OH 3.46Å; Y415-I453 HydrophobicContact CD2-CG2 3.89Å; Y415-I453 HydrophobicContact CE2-CG2 4.16Å; Y415-F454 PolarHBondContact N-O 3.24Å; Y415-F455 WeakPolarHBondContact O-CA 3.48Å; Y415-C456 PolarHBondContact O-N 3.44Å |
| 416 | P | 93.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 150.3 | 172.9 | 31.9 | -32.2 | 0 | 0 | 0 | 110 | F387 N390 I392 P418 | F387-P416 HydrophobicContact CD1-CG 4.45Å; F387-P416 WeakPolarHBondContact O-CD 3.38Å; N390-P416 WeakPolarHBondContact O-CB 3.5Å; N390-P416 WeakPolarHBondContact O-CG 3.27Å; I392-P416 HydrophobicContact CD1-CG 3.63Å; I392-P416 HydrophobicContact CG1-CG 3.64Å; P416-P418 WeakPolarHBondContact O-CD 3.14Å |
| 417 | A | 91.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 127.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y422 F433 C456 I457 | A417-Y422 HydrophobicContact CB-CE2 3.99Å; A417-F433 HydrophobicContact CB-CD2 3.86Å; A417-F433 HydrophobicContact CB-CE2 3.57Å; A417-C456 PolarHBondContact N-O 3.16Å; A417-I457 HydrophobicContact CB-CG2 4.08Å |
| 418 | P | 93.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 148.2 | 178.4 | -31.4 | 39.5 | 0 | 0 | 0 | 112.2 | M394 L397 P416 E420 S421 I436 L440 | M394-P418 HydrophobicContact CB-CB 4Å; M394-P418 HydrophobicContact CB-CG 4.38Å; L397-P418 HydrophobicContact CD2-CG 3.62Å; P416-P418 WeakPolarHBondContact O-CD 3.14Å; P418-E420 WeakPolarHBondContact CB-OE2 3.09Å; P418-E420 PolarHBondContact O-N 3.08Å; P418-E420 VanDerWaalsContact O-N 3.08Å; P418-S421 WeakPolarHBondContact O-CB 3.32Å; P418-S421 PolarHBondContact O-N 2.97Å; P418-S421 PolarHBondContact O-OG 3.16Å; P418-I436 HydrophobicContact CB-CG2 4.31Å; P418-I436 HydrophobicContact CG-CG2 3.72Å; P418-L440 HydrophobicContact CG-CD1 3.97Å |
| 419 | R | 91.9 | Very high | 89.8 | Confident | 148 Ų | 148 | 43.4 Ų | 43.4 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -56 | -30.2 | -179.1 | -161 | 175.6 | 68.1 | -157.6 | -2.3 | 112.9 | I392 S421 Y422 | I392-R419 PolarHBondContact O-N 2.87Å; R419-S421 PolarHBondContact O-N 3.02Å; R419-Y422 PolarHBondContact O-N 3.49Å; R419-Y422 VanDerWaalsContact O-N 3.11Å |
| 420 | E | 94.1 | Very high | 89.6 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -61.1 | -22.5 | 174.2 | -65.9 | 81.3 | 179.2 | 0 | 0 | 112.9 | S393 M394 P418 Y422 R432 I436 | S393-E420 WeakPolarHBondContact CA-OE2 3.32Å; S393-E420 VanDerWaalsContact CB-OE1 3.28Å; S393-E420 WeakPolarHBondContact CB-OE1 3.37Å; M394-E420 VanDerWaalsContact N-CD 3.35Å; M394-E420 PolarHBondContact N-OE1 2.67Å; M394-E420 PolarHBondContact N-OE2 3.46Å; P418-E420 WeakPolarHBondContact CB-OE2 3.09Å; P418-E420 PolarHBondContact O-N 3.08Å; P418-E420 VanDerWaalsContact O-N 3.08Å; E420-Y422 PolarHBondContact O-N 2.95Å; E420-R432 WeakPolarHBondContact O-CD 3.28Å; E420-R432 PolarHBondContact O-NE 2.94Å; E420-R432 PolarHBondContact O-NH1 3.23Å; E420-I436 HydrophobicContact CB-CD1 3.8Å |
| 421 | S | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -68.9 | -15.1 | 176.3 | -48 | 0 | 0 | 0 | 0 | 112.8 | P418 R419 C429 | P418-S421 WeakPolarHBondContact O-CB 3.32Å; P418-S421 PolarHBondContact O-N 2.97Å; P418-S421 PolarHBondContact O-OG 3.16Å; R419-S421 PolarHBondContact O-N 3.02Å; S421-C429 PolarHBondContact O-N 3.3Å |
| 422 | Y | 89.8 | Confident | 89.5 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 14% | 0.141 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -106.5 | 147.3 | -175.2 | -58.4 | -88.5 | 0 | 0 | 0 | 112.2 | A417 R419 E420 G426 T427 L428 D458 | A417-Y422 HydrophobicContact CB-CE2 3.99Å; R419-Y422 PolarHBondContact O-N 3.49Å; R419-Y422 VanDerWaalsContact O-N 3.11Å; E420-Y422 PolarHBondContact O-N 2.95Å; Y422-G426 WeakPolarHBondContact CD1-O 3.45Å; Y422-T427 CarbonylContact C-O 3.58Å; Y422-T427 VanDerWaalsContact CA-O 3.26Å; Y422-T427 WeakPolarHBondContact CA-O 3.13Å; Y422-L428 HydrophobicContact CD1-CB 4.14Å; Y422-L428 HydrophobicContact CD1-CD1 4.01Å; Y422-L428 HydrophobicContact CE1-CB 4.04Å; Y422-L428 HydrophobicContact CE1-CD1 3.64Å; Y422-L428 HydrophobicContact CE1-CG 4.46Å; Y422-L428 HydrophobicContact CE2-CD1 4.43Å; Y422-D458 PolarHBondContact OH-N 3.36Å; Y422-D458 PolarHBondContact OH-OD2 2.9Å |
| 423 | G | 86.8 | Confident | 89.4 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | trans | -73.6 | 172.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D425 G426 T427 | G423-D425 PolarHBondContact O-N 3.06Å; G423-G426 PolarHBondContact O-N 3.48Å; G423-T427 PolarHBondContact N-O 2.98Å | ||
| 424 | A | 84.4 | Confident | 89.2 | Confident | 122 Ų | 122 | 54.6 Ų | 54.6 | 100% | 1.008 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G426 | A424-G426 VanDerWaalsContact C-N 3.3Š|
| 425 | D | 83.1 | Confident | 89.1 | Confident | 118 Ų | 118 | 60.2 Ų | 60.2 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.2 | 174.6 | 62.5 | -7.6 | 0 | 0 | 0 | 113.3 | G423 T427 | G423-D425 PolarHBondContact O-N 3.06Å; D425-T427 VanDerWaalsContact C-N 3.29Å; D425-T427 VanDerWaalsContact CG-OG1 3.24Å; D425-T427 WeakPolarHBondContact OD1-CB 3.33Å; D425-T427 PolarHBondContact OD1-N 3.4Å; D425-T427 PolarHBondContact OD1-OG1 3.12Å; D425-T427 VanDerWaalsContact OD2-CG2 3.28Å; D425-T427 WeakPolarHBondContact OD2-CG2 3.49Å; D425-T427 PolarHBondContact OD2-OG1 3.34Å |
| 426 | G | 81.9 | Confident | 88.9 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 79.5 | 5.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y422 G423 A424 | Y422-G426 WeakPolarHBondContact CD1-O 3.45Å; G423-G426 PolarHBondContact O-N 3.48Å; A424-G426 VanDerWaalsContact C-N 3.3Å |
| 427 | T | 85.3 | Confident | 88.7 | Confident | 79 Ų | 79 | 62 Ų | 62 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | trans | -79.5 | 141.6 | 178.6 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | Y422 G423 D425 C429 | Y422-T427 CarbonylContact C-O 3.58Å; Y422-T427 VanDerWaalsContact CA-O 3.26Å; Y422-T427 WeakPolarHBondContact CA-O 3.13Å; G423-T427 PolarHBondContact N-O 2.98Å; D425-T427 VanDerWaalsContact C-N 3.29Å; D425-T427 VanDerWaalsContact CG-OG1 3.24Å; D425-T427 WeakPolarHBondContact OD1-CB 3.33Å; D425-T427 PolarHBondContact OD1-N 3.4Å; D425-T427 PolarHBondContact OD1-OG1 3.12Å; D425-T427 VanDerWaalsContact OD2-CG2 3.28Å; D425-T427 WeakPolarHBondContact OD2-CG2 3.49Å; D425-T427 PolarHBondContact OD2-OG1 3.34Å; T427-C429 PolarHBondContact O-N 2.93Å | ||
| 428 | L | 86.5 | Confident | 88.6 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 123.8 | 178.4 | -174.5 | 76.9 | 0 | 0 | 0 | 110.7 | Y422 W430 F433 I457 | Y422-L428 HydrophobicContact CD1-CB 4.14Å; Y422-L428 HydrophobicContact CD1-CD1 4.01Å; Y422-L428 HydrophobicContact CE1-CB 4.04Å; Y422-L428 HydrophobicContact CE1-CD1 3.64Å; Y422-L428 HydrophobicContact CE1-CG 4.46Å; Y422-L428 HydrophobicContact CE2-CD1 4.43Å; L428-W430 HydrophobicContact CD2-CD2 4.08Å; L428-W430 HydrophobicContact CD2-CE3 4.08Å; L428-W430 HydrophobicContact CD2-CH2 3.93Å; L428-W430 HydrophobicContact CD2-CZ2 3.98Å; L428-W430 HydrophobicContact CD2-CZ3 4Å; L428-W430 PolarHBondContact O-N 3.4Å; L428-F433 HydrophobicContact CD1-CB 4.08Å; L428-F433 HydrophobicContact CD1-CD2 4.44Å; L428-F433 HydrophobicContact CD1-CG 4.2Å; L428-F433 HydrophobicContact CD2-CD1 4.38Å; L428-F433 HydrophobicContact CG-CB 4.42Å; L428-I457 HydrophobicContact CD1-CG2 4.08Å; L428-I457 HydrophobicContact CD2-CB 4.16Å; L428-I457 HydrophobicContact CD2-CD1 3.83Å; L428-I457 HydrophobicContact CD2-CG2 3.69Å |
| 429 | C | 89.8 | Confident | 88.4 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 35% | 0.345 | 38% | 0.377 | S | S | . | . | trans | -88 | 100.7 | 170 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | S421 T427 S431 R432 F433 | S421-C429 PolarHBondContact O-N 3.3Å; T427-C429 PolarHBondContact O-N 2.93Å; C429-S431 PolarHBondContact O-N 3.27Å; C429-S431 PolarHBondContact SG-OG 2.88Å; C429-R432 HydrophobicContact CB-CB 3.98Å; C429-R432 PolarHBondContact O-N 2.75Å; C429-R432 VanDerWaalsContact O-N 3.17Å; C429-F433 WeakPolarHBondContact O-CB 3.41Å; C429-F433 PolarHBondContact O-N 3.31Å | ||
| 430 | W | 86.9 | Confident | 88.3 | Confident | 141 Ų | 141 | 60.1 Ų | 60.1 | 53% | 0.534 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.9 | -43.5 | -175.1 | -74.9 | 103.2 | 0 | 0 | 0 | 114.5 | L428 F433 A434 I457 Y469 | L428-W430 HydrophobicContact CD2-CD2 4.08Å; L428-W430 HydrophobicContact CD2-CE3 4.08Å; L428-W430 HydrophobicContact CD2-CH2 3.93Å; L428-W430 HydrophobicContact CD2-CZ2 3.98Å; L428-W430 HydrophobicContact CD2-CZ3 4Å; L428-W430 PolarHBondContact O-N 3.4Å; W430-F433 HydrophobicContact CE3-CD1 4.39Å; W430-F433 HydrophobicContact CZ3-CD1 4.41Å; W430-F433 PolarHBondContact O-N 2.97Å; W430-A434 VanDerWaalsContact O-CB 3.31Å; W430-A434 WeakPolarHBondContact O-CB 3.44Å; W430-A434 PolarHBondContact O-N 3.24Å; W430-I457 HydrophobicContact CH2-CD1 3.73Å; W430-I457 HydrophobicContact CZ2-CD1 4.31Å; W430-Y469 HydrophobicContact CH2-CE1 4.36Å; W430-Y469 HydrophobicContact CH2-CE2 4.34Å; W430-Y469 AromaticContact CH2-CZ 3.72Å; W430-Y469 WeakPolarHBondContact CH2-OH 3.32Å; W430-Y469 AromaticContact CZ3-CE1 4Å; W430-Y469 HydrophobicContact CZ3-CE1 4Å; W430-Y469 HydrophobicContact CZ3-CE2 4.3Å; W430-Y469 AromaticContact CZ3-CZ 3.72Å |
| 431 | S | 88.8 | Confident | 87.9 | Confident | 91 Ų | 91 | 57.9 Ų | 57.9 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 179.8 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | C429 Q435 | C429-S431 PolarHBondContact O-N 3.27Å; C429-S431 PolarHBondContact SG-OG 2.88Å; S431-Q435 WeakPolarHBondContact O-CB 3.39Å; S431-Q435 PolarHBondContact O-N 3.42Å |
| 432 | R | 89.8 | Confident | 87.7 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 177.7 | -169.6 | 167.6 | -176.2 | -164.8 | 2.4 | 111.8 | E420 C429 Q435 I436 | E420-R432 WeakPolarHBondContact O-CD 3.28Å; E420-R432 PolarHBondContact O-NE 2.94Å; E420-R432 PolarHBondContact O-NH1 3.23Å; C429-R432 HydrophobicContact CB-CB 3.98Å; C429-R432 PolarHBondContact O-N 2.75Å; C429-R432 VanDerWaalsContact O-N 3.17Å; R432-Q435 PolarHBondContact O-N 3.03Å; R432-I436 HydrophobicContact CG-CD1 3.85Å; R432-I436 HydrophobicContact CG-CG1 4.46Å; R432-I436 WeakPolarHBondContact O-CB 3.4Å; R432-I436 VanDerWaalsContact O-CG1 3.3Å; R432-I436 WeakPolarHBondContact O-CG1 3.44Å; R432-I436 PolarHBondContact O-N 3.28Å |
| 433 | F | 90 | Very high | 87.4 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 174.5 | 175.8 | -119.6 | 0 | 0 | 0 | 111.7 | A417 L428 C429 W430 Q435 I436 R437 F455 I457 Y469 | A417-F433 HydrophobicContact CB-CD2 3.86Å; A417-F433 HydrophobicContact CB-CE2 3.57Å; L428-F433 HydrophobicContact CD1-CB 4.08Å; L428-F433 HydrophobicContact CD1-CD2 4.44Å; L428-F433 HydrophobicContact CD1-CG 4.2Å; L428-F433 HydrophobicContact CD2-CD1 4.38Å; L428-F433 HydrophobicContact CG-CB 4.42Å; C429-F433 WeakPolarHBondContact O-CB 3.41Å; C429-F433 PolarHBondContact O-N 3.31Å; W430-F433 HydrophobicContact CE3-CD1 4.39Å; W430-F433 HydrophobicContact CZ3-CD1 4.41Å; W430-F433 PolarHBondContact O-N 2.97Å; F433-Q435 VanDerWaalsContact C-N 3.32Å; F433-Q435 PolarHBondContact O-N 3.09Å; F433-I436 PolarHBondContact O-N 3.12Å; F433-R437 WeakPolarHBondContact O-CB 3.21Å; F433-R437 PolarHBondContact O-N 3Å; F433-F455 HydrophobicContact CE2-CB 4.07Å; F433-F455 HydrophobicContact CZ-CB 3.93Å; F433-I457 HydrophobicContact CD1-CG2 4.34Å; F433-I457 HydrophobicContact CD2-CG2 4.49Å; F433-I457 HydrophobicContact CE1-CG2 3.86Å; F433-I457 HydrophobicContact CE2-CG2 4.04Å; F433-I457 HydrophobicContact CZ-CG2 3.69Å; F433-Y469 AromaticContact CE1-CD2 3.79Å; F433-Y469 HydrophobicContact CE1-CD2 3.79Å; F433-Y469 HydrophobicContact CE1-CE2 4.33Å; F433-Y469 HydrophobicContact CE1-CG 4Å; F433-Y469 HydrophobicContact CZ-CD2 4.02Å; F433-Y469 HydrophobicContact CZ-CG 4.38Å |
| 434 | A | 88.4 | Confident | 87.3 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W430 A438 | W430-A434 VanDerWaalsContact O-CB 3.31Å; W430-A434 WeakPolarHBondContact O-CB 3.44Å; W430-A434 PolarHBondContact O-N 3.24Å; A434-A438 WeakPolarHBondContact O-CB 3.35Å; A434-A438 PolarHBondContact O-N 3.4Å |
| 435 | Q | 90.3 | Very high | 87.3 | Confident | 134 Ų | 134 | 64.2 Ų | 64.2 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.8 | -51.3 | 176.2 | -176.5 | -179.7 | 1 | 0 | 0 | 112.1 | S431 R432 F433 R437 A438 E439 | S431-Q435 WeakPolarHBondContact O-CB 3.39Å; S431-Q435 PolarHBondContact O-N 3.42Å; R432-Q435 PolarHBondContact O-N 3.03Å; F433-Q435 VanDerWaalsContact C-N 3.32Å; F433-Q435 PolarHBondContact O-N 3.09Å; Q435-R437 VanDerWaalsContact C-N 3.33Å; Q435-R437 PolarHBondContact O-N 3.25Å; Q435-A438 PolarHBondContact O-N 3.06Å; Q435-E439 PolarHBondContact O-N 2.7Å |
| 436 | I | 90.3 | Very high | 87.3 | Confident | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 179.7 | -70.3 | 169.9 | 0 | 0 | 0 | 110.6 | M394 P418 E420 R432 F433 A438 E439 L440 | M394-I436 HydrophobicContact CG-CG2 4.45Å; M394-I436 HydrophobicContact SD-CG1 4.21Å; M394-I436 HydrophobicContact SD-CG2 4.09Å; P418-I436 HydrophobicContact CB-CG2 4.31Å; P418-I436 HydrophobicContact CG-CG2 3.72Å; E420-I436 HydrophobicContact CB-CD1 3.8Å; R432-I436 HydrophobicContact CG-CD1 3.85Å; R432-I436 HydrophobicContact CG-CG1 4.46Å; R432-I436 WeakPolarHBondContact O-CB 3.4Å; R432-I436 VanDerWaalsContact O-CG1 3.3Å; R432-I436 WeakPolarHBondContact O-CG1 3.44Å; R432-I436 PolarHBondContact O-N 3.28Å; F433-I436 PolarHBondContact O-N 3.12Å; I436-A438 VanDerWaalsContact C-N 3.35Å; I436-A438 PolarHBondContact O-N 3.11Å; I436-E439 PolarHBondContact O-N 3.27Å; I436-L440 HydrophobicContact CG2-CD1 3.78Å; I436-L440 HydrophobicContact CG2-CG 4.25Å; I436-L440 WeakPolarHBondContact O-CB 3.45Å; I436-L440 WeakPolarHBondContact O-CG 3.49Å; I436-L440 PolarHBondContact O-N 2.92Å |
| 437 | R | 88.9 | Confident | 87.3 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 177 | -174.4 | -179.5 | 74 | -164 | 7.9 | 111.5 | F433 Q435 M441 F455 Y469 | F433-R437 WeakPolarHBondContact O-CB 3.21Å; F433-R437 PolarHBondContact O-N 3Å; Q435-R437 VanDerWaalsContact C-N 3.33Å; Q435-R437 PolarHBondContact O-N 3.25Å; R437-M441 WeakPolarHBondContact O-CB 3.42Å; R437-M441 VanDerWaalsContact O-CG 3.32Å; R437-M441 WeakPolarHBondContact O-CG 3.39Å; R437-M441 PolarHBondContact O-N 3.01Å; R437-M441 VanDerWaalsContact O-N 3.09Å; R437-F455 HydrophobicContact CG-CD2 3.62Å; R437-F455 HydrophobicContact CG-CE2 3.95Å; R437-F455 HydrophobicContact CG-CG 4.25Å; R437-Y469 VanDerWaalsContact NH1-CB 3.26Å |
| 438 | A | 88.3 | Confident | 87.2 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A434 Q435 I436 M441 N442 | A434-A438 WeakPolarHBondContact O-CB 3.35Å; A434-A438 PolarHBondContact O-N 3.4Å; Q435-A438 PolarHBondContact O-N 3.06Å; I436-A438 VanDerWaalsContact C-N 3.35Å; I436-A438 PolarHBondContact O-N 3.11Å; A438-M441 PolarHBondContact O-N 3.33Å; A438-N442 WeakPolarHBondContact O-CB 3.06Å; A438-N442 PolarHBondContact O-N 2.89Å; A438-N442 PolarHBondContact O-ND2 2.83Å |
| 439 | E | 91 | Very high | 86.8 | Confident | 72 Ų | 72 | 73 Ų | 73 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -51.3 | 177.8 | -174.6 | 176.5 | 168.4 | 0 | 0 | 112.2 | M394 Q435 I436 M441 N442 R443 | M394-E439 HydrophobicContact CE-CB 4.45Å; M394-E439 VanDerWaalsContact CE-CD 3.49Å; M394-E439 HydrophobicContact CE-CG 4.13Å; Q435-E439 PolarHBondContact O-N 2.7Å; I436-E439 PolarHBondContact O-N 3.27Å; E439-M441 VanDerWaalsContact C-N 3.27Å; E439-M441 PolarHBondContact O-N 3.42Å; E439-N442 PolarHBondContact O-N 3.4Å; E439-R443 WeakPolarHBondContact O-CG 3.35Å; E439-R443 PolarHBondContact O-N 2.73Å; E439-R443 VanDerWaalsContact O-N 3.12Å; E439-R443 IonicContact OE1-CZ 3.7Å; E439-R443 IonicContact OE1-NE 3.13Å; E439-R443 IonicContact OE1-NH2 2.69Å; E439-R443 PolarHBondContact OE1-NH2 2.89Å |
| 440 | L | 88.3 | Confident | 86 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 179.5 | -72 | 172 | 0 | 0 | 0 | 111.6 | M394 L397 E398 L401 P418 I436 R443 V444 F455 | M394-L440 HydrophobicContact CE-CD2 4.44Å; M394-L440 HydrophobicContact CG-CD2 4.39Å; L397-L440 HydrophobicContact CD2-CD1 3.72Å; L397-L440 HydrophobicContact CG-CD1 4.38Å; E398-L440 HydrophobicContact CG-CD2 3.5Å; L401-L440 HydrophobicContact CD1-CB 4.42Å; L401-L440 HydrophobicContact CD1-CD2 4.03Å; P418-L440 HydrophobicContact CG-CD1 3.97Å; I436-L440 HydrophobicContact CG2-CD1 3.78Å; I436-L440 HydrophobicContact CG2-CG 4.25Å; I436-L440 WeakPolarHBondContact O-CB 3.45Å; I436-L440 WeakPolarHBondContact O-CG 3.49Å; I436-L440 PolarHBondContact O-N 2.92Å; L440-R443 PolarHBondContact O-N 3.38Å; L440-V444 WeakPolarHBondContact O-CG2 3.34Å; L440-V444 PolarHBondContact O-N 3.16Å; L440-F455 HydrophobicContact CB-CE1 4.49Å; L440-F455 HydrophobicContact CB-CZ 4.03Å; L440-F455 HydrophobicContact CD1-CE1 3.7Å; L440-F455 HydrophobicContact CD1-CZ 4.08Å |
| 441 | M | 85.7 | Confident | 85.7 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.3 | -35.1 | -179 | -75.2 | -57.7 | -64.9 | 0 | 0 | 113.8 | R437 A438 E439 R443 V444 R445 P450 I453 F455 L471 | R437-M441 WeakPolarHBondContact O-CB 3.42Å; R437-M441 VanDerWaalsContact O-CG 3.32Å; R437-M441 WeakPolarHBondContact O-CG 3.39Å; R437-M441 PolarHBondContact O-N 3.01Å; R437-M441 VanDerWaalsContact O-N 3.09Å; A438-M441 PolarHBondContact O-N 3.33Å; E439-M441 VanDerWaalsContact C-N 3.27Å; E439-M441 PolarHBondContact O-N 3.42Å; M441-R443 VanDerWaalsContact C-N 3.31Å; M441-V444 PolarHBondContact O-N 3.34Å; M441-R445 WeakPolarHBondContact O-CB 3.26Å; M441-R445 VanDerWaalsContact O-CG 3.28Å; M441-R445 WeakPolarHBondContact O-CG 3.47Å; M441-R445 PolarHBondContact O-N 2.85Å; M441-P450 HydrophobicContact CE-CG 4.05Å; M441-I453 HydrophobicContact CE-CB 4Å; M441-I453 HydrophobicContact CE-CD1 4.19Å; M441-I453 HydrophobicContact CE-CG1 4.45Å; M441-I453 HydrophobicContact CE-CG2 4.48Å; M441-I453 HydrophobicContact SD-CB 4Å; M441-I453 HydrophobicContact SD-CD1 4.2Å; M441-I453 HydrophobicContact SD-CG2 3.81Å; M441-F455 HydrophobicContact CG-CE2 3.67Å; M441-F455 HydrophobicContact CG-CZ 4.26Å; M441-F455 HydrophobicContact SD-CE2 3.67Å; M441-F455 HydrophobicContact SD-CZ 4.13Å; M441-L471 HydrophobicContact CB-CD1 3.5Å; M441-L471 VanDerWaalsContact CB-CD1 3.5Å; M441-L471 HydrophobicContact CB-CD2 3.86Å; M441-L471 HydrophobicContact CB-CG 4.1Å; M441-L471 HydrophobicContact CE-CD1 3.4Å; M441-L471 HydrophobicContact CE-CG 4.32Å; M441-L471 HydrophobicContact CG-CD1 3.57Å; M441-L471 HydrophobicContact CG-CD2 3.87Å; M441-L471 HydrophobicContact CG-CG 3.84Å; M441-L471 HydrophobicContact SD-CD1 4.25Å |
| 442 | N | 87.1 | Confident | 85.6 | Confident | 89 Ų | 89 | 73.7 Ų | 73.7 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 171.8 | -73.5 | -19.9 | 0 | 0 | 0 | 110 | A438 E439 V444 R445 D446 | A438-N442 WeakPolarHBondContact O-CB 3.06Å; A438-N442 PolarHBondContact O-N 2.89Å; A438-N442 PolarHBondContact O-ND2 2.83Å; E439-N442 PolarHBondContact O-N 3.4Å; N442-V444 PolarHBondContact O-N 3.16Å; N442-R445 PolarHBondContact O-N 2.93Å; N442-D446 PolarHBondContact O-N 3.09Å |
| 443 | R | 84.4 | Confident | 85.5 | Confident | 118 Ų | 118 | 68.3 Ų | 68.3 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 175.8 | -66.6 | 178.2 | -175.1 | -81.9 | -1.1 | 112.8 | E398 E439 L440 M441 R445 D446 L447 | E398-R443 IonicContact OE1-CZ 2.76Å; E398-R443 IonicContact OE1-NE 3.53Å; E398-R443 PolarHBondContact OE1-NE 3.34Å; E398-R443 VanDerWaalsContact OE1-NE 3.13Å; E439-R443 WeakPolarHBondContact O-CG 3.35Å; E439-R443 PolarHBondContact O-N 2.73Å; E439-R443 VanDerWaalsContact O-N 3.12Å; E439-R443 IonicContact OE1-CZ 3.7Å; E439-R443 IonicContact OE1-NE 3.13Å; E439-R443 IonicContact OE1-NH2 2.69Å; E439-R443 PolarHBondContact OE1-NH2 2.89Å; L440-R443 PolarHBondContact O-N 3.38Å; M441-R443 VanDerWaalsContact C-N 3.31Å; R443-R445 VanDerWaalsContact C-N 3.35Å; R443-D446 PolarHBondContact O-N 3.44Å; R443-L447 WeakPolarHBondContact O-CD1 3.45Å; R443-L447 VanDerWaalsContact O-CG 3.31Å; R443-L447 WeakPolarHBondContact O-CG 3.33Å; R443-L447 PolarHBondContact O-N 3.31Å |
| 444 | V | 83.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | L401 L440 M441 N442 D446 L447 R448 P450 I453 | L401-V444 HydrophobicContact CB-CG2 4.29Å; L401-V444 HydrophobicContact CD1-CG2 3.92Å; L401-V444 HydrophobicContact CD2-CG2 3.88Å; L401-V444 HydrophobicContact CG-CG2 4.26Å; L440-V444 WeakPolarHBondContact O-CG2 3.34Å; L440-V444 PolarHBondContact O-N 3.16Å; M441-V444 PolarHBondContact O-N 3.34Å; N442-V444 PolarHBondContact O-N 3.16Å; V444-D446 VanDerWaalsContact C-N 3.31Å; V444-D446 PolarHBondContact O-N 3.32Å; V444-L447 PolarHBondContact O-N 3.46Å; V444-L447 VanDerWaalsContact O-N 3.12Å; V444-R448 HydrophobicContact CG1-CG 4.28Å; V444-R448 PolarHBondContact O-N 2.89Å; V444-P450 HydrophobicContact CG1-CB 4.09Å; V444-P450 HydrophobicContact CG1-CG 4.08Å; V444-I453 HydrophobicContact CG1-CD1 3.7Å |
| 445 | R | 84.8 | Confident | 85.4 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -32.2 | 177.6 | -75.7 | 173 | 171.6 | -177.8 | -6 | 112.8 | M441 N442 R443 L447 R448 P450 | M441-R445 WeakPolarHBondContact O-CB 3.26Å; M441-R445 VanDerWaalsContact O-CG 3.28Å; M441-R445 WeakPolarHBondContact O-CG 3.47Å; M441-R445 PolarHBondContact O-N 2.85Å; N442-R445 PolarHBondContact O-N 2.93Å; R443-R445 VanDerWaalsContact C-N 3.35Å; R445-L447 PolarHBondContact O-N 2.95Å; R445-R448 CarbonylContact C-O 3.38Å; R445-R448 WeakPolarHBondContact CA-O 3.35Å; R445-P450 HydrophobicContact CG-CG 4.24Å |
| 446 | D | 83.9 | Confident | 85.3 | Confident | 135 Ų | 135 | 61 Ų | 61 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66 | -27.7 | 173.2 | -66.7 | -23.4 | 0 | 0 | 0 | 112 | N442 R443 V444 | N442-D446 PolarHBondContact O-N 3.09Å; R443-D446 PolarHBondContact O-N 3.44Å; V444-D446 VanDerWaalsContact C-N 3.31Å; V444-D446 PolarHBondContact O-N 3.32Å |
| 447 | L | 81.3 | Confident | 85 | Confident | 109 Ų | 109 | 61 Ų | 61 | 57% | 0.571 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -101 | -30.1 | -172.9 | -62.9 | 167.9 | 0 | 0 | 0 | 113.6 | I405 R443 V444 R445 | I405-L447 HydrophobicContact CD1-CB 3.63Å; I405-L447 HydrophobicContact CD1-CD1 3.34Å; I405-L447 HydrophobicContact CD1-CG 3.98Å; I405-L447 HydrophobicContact CG1-CB 4.1Å; I405-L447 HydrophobicContact CG1-CD1 4.49Å; I405-L447 HydrophobicContact CG2-CB 4.44Å; R443-L447 WeakPolarHBondContact O-CD1 3.45Å; R443-L447 VanDerWaalsContact O-CG 3.31Å; R443-L447 WeakPolarHBondContact O-CG 3.33Å; R443-L447 PolarHBondContact O-N 3.31Å; V444-L447 PolarHBondContact O-N 3.46Å; V444-L447 VanDerWaalsContact O-N 3.12Å; R445-L447 PolarHBondContact O-N 2.95Å |
| 448 | R | 82.5 | Confident | 84 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | trans | -159.4 | 171.8 | 174.8 | 61.8 | 172.6 | 173.8 | 164.8 | 5.3 | 111.9 | T404 I405 E413 V444 R445 P450 | T404-R448 PolarHBondContact O-NH1 3.27Å; T404-R448 PolarHBondContact OG1-NH2 2.88Å; I405-R448 HydrophobicContact CG2-CB 4.48Å; E413-R448 IonicContact OE1-CZ 3.94Å; E413-R448 IonicContact OE1-NH1 3.87Å; E413-R448 IonicContact OE1-NH2 3.68Å; E413-R448 PolarHBondContact OE1-NH2 3.24Å; E413-R448 IonicContact OE2-CZ 3.74Å; E413-R448 IonicContact OE2-NH2 2.76Å; E413-R448 PolarHBondContact OE2-NH2 3.33Å; V444-R448 HydrophobicContact CG1-CG 4.28Å; V444-R448 PolarHBondContact O-N 2.89Å; R445-R448 CarbonylContact C-O 3.38Å; R445-R448 WeakPolarHBondContact CA-O 3.35Å; R448-P450 WeakPolarHBondContact O-CD 3.38Å | ||
| 449 | H | 78.5 | Confident | 83 | Confident | 185 Ų | 185 | 66.1 Ų | 66.1 | 86% | 0.856 | 31% | 0.308 | S | S | * | . | trans | -91.2 | 94.8 | 169.4 | -67.2 | 76.2 | 0 | 0 | 0 | 109.5 | ||||
| 450 | P | 72.1 | Confident | 81.3 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | trans | -65.7 | 141.5 | 178 | 29.1 | -36.4 | 0 | 0 | 0 | 110.6 | M441 V444 R445 R448 I453 | M441-P450 HydrophobicContact CE-CG 4.05Å; V444-P450 HydrophobicContact CG1-CB 4.09Å; V444-P450 HydrophobicContact CG1-CG 4.08Å; R445-P450 HydrophobicContact CG-CG 4.24Å; R448-P450 WeakPolarHBondContact O-CD 3.38Å; P450-I453 HydrophobicContact CB-CD1 3.4Å; P450-I453 VanDerWaalsContact CB-CD1 3.4Å; P450-I453 HydrophobicContact CB-CG1 3.76Å; P450-I453 HydrophobicContact CG-CD1 4.25Å | ||
| 451 | K | 81 | Confident | 79.6 | Confident | 128 Ų | 128 | 70.5 Ų | 70.5 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -81.3 | -62.3 | 176.6 | -67.7 | 179.7 | -171.6 | 160.7 | 0 | 111.3 | C411 | C411-K451 HydrophobicContact CB-CD 3.96Å; C411-K451 VanDerWaalsContact SG-CD 3.58Å; C411-K451 PolarHBondContact SG-NZ 3.29Å |
| 452 | R | 86.7 | Confident | 78 | Confident | 137 Ų | 137 | 77.8 Ų | 77.8 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | trans | -143.6 | 111.3 | 177.4 | -58.7 | 176 | 67 | -169.4 | -0.4 | 109.5 | C411 V412 E413 F454 | C411-R452 WeakPolarHBondContact O-CB 3.44Å; C411-R452 PolarHBondContact O-N 3.15Å; V412-R452 WeakPolarHBondContact CA-O 3.44Å; E413-R452 PolarHBondContact N-O 2.9Å; R452-F454 HydrophobicContact CB-CE2 3.78Å; R452-F454 HydrophobicContact CB-CZ 4.13Å | ||
| 453 | I | 87.4 | Confident | 76.6 | Confident | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.2 | 175.4 | -61.1 | -174.7 | 0 | 0 | 0 | 108.1 | E413 Y415 M441 V444 P450 F455 | E413-I453 HydrophobicContact CB-CG1 4.13Å; E413-I453 CarbonylContact O-C 3.09Å; E413-I453 WeakPolarHBondContact O-CA 3.32Å; Y415-I453 HydrophobicContact CD2-CG2 3.89Å; Y415-I453 HydrophobicContact CE2-CG2 4.16Å; M441-I453 HydrophobicContact CE-CB 4Å; M441-I453 HydrophobicContact CE-CD1 4.19Å; M441-I453 HydrophobicContact CE-CG1 4.45Å; M441-I453 HydrophobicContact CE-CG2 4.48Å; M441-I453 HydrophobicContact SD-CB 4Å; M441-I453 HydrophobicContact SD-CD1 4.2Å; M441-I453 HydrophobicContact SD-CG2 3.81Å; V444-I453 HydrophobicContact CG1-CD1 3.7Å; P450-I453 HydrophobicContact CB-CD1 3.4Å; P450-I453 VanDerWaalsContact CB-CD1 3.4Å; P450-I453 HydrophobicContact CB-CG1 3.76Å; P450-I453 HydrophobicContact CG-CD1 4.25Å; I453-F455 HydrophobicContact CG2-CE2 4.02Å; I453-F455 HydrophobicContact CG2-CZ 4.31Å |
| 454 | F | 88.9 | Confident | 75.4 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 9% | 0.088 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.8 | 178.2 | -59.7 | -76.8 | 0 | 0 | 0 | 110 | V412 E413 V414 Y415 R452 F468 Y469 D470 | V412-F454 HydrophobicContact CG1-CD2 4.47Å; V412-F454 HydrophobicContact CG1-CE2 4.36Å; E413-F454 PolarHBondContact O-N 2.89Å; V414-F454 WeakPolarHBondContact CA-O 3.42Å; V414-F454 HydrophobicContact CG1-CB 3.92Å; Y415-F454 PolarHBondContact N-O 3.24Å; R452-F454 HydrophobicContact CB-CE2 3.78Å; R452-F454 HydrophobicContact CB-CZ 4.13Å; F454-F468 HydrophobicContact CB-CB 4.5Å; F454-F468 HydrophobicContact CD1-CB 4.43Å; F454-Y469 WeakPolarHBondContact CA-O 3.41Å; F454-D470 HydrophobicContact CD1-CB 4.16Å; F454-D470 HydrophobicContact CE1-CB 3.96Å |
| 455 | F | 89.1 | Confident | 74.4 | Confident | 3 Ų | 3 | 77 Ų | 77 | 1% | 0.013 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.1 | 165.1 | -64.1 | -90.6 | 0 | 0 | 0 | 108.8 | L397 Y415 F433 R437 L440 M441 I453 Y469 | L397-F455 HydrophobicContact CD2-CD1 4.41Å; L397-F455 HydrophobicContact CD2-CE1 3.93Å; Y415-F455 WeakPolarHBondContact O-CA 3.48Å; F433-F455 HydrophobicContact CE2-CB 4.07Å; F433-F455 HydrophobicContact CZ-CB 3.93Å; R437-F455 HydrophobicContact CG-CD2 3.62Å; R437-F455 HydrophobicContact CG-CE2 3.95Å; R437-F455 HydrophobicContact CG-CG 4.25Å; L440-F455 HydrophobicContact CB-CE1 4.49Å; L440-F455 HydrophobicContact CB-CZ 4.03Å; L440-F455 HydrophobicContact CD1-CE1 3.7Å; L440-F455 HydrophobicContact CD1-CZ 4.08Å; M441-F455 HydrophobicContact CG-CE2 3.67Å; M441-F455 HydrophobicContact CG-CZ 4.26Å; M441-F455 HydrophobicContact SD-CE2 3.67Å; M441-F455 HydrophobicContact SD-CZ 4.13Å; I453-F455 HydrophobicContact CG2-CE2 4.02Å; I453-F455 HydrophobicContact CG2-CZ 4.31Å; F455-Y469 PolarHBondContact N-O 3.21Å; F455-Y469 PolarHBondContact O-N 3.42Å |
| 456 | C | 87.8 | Confident | 73.7 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.1 | 177.7 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | C388 Y415 A417 R466 F468 | C388-C456 HydrophobicContact CB-CB 3.71Å; C388-C456 WeakPolarHBondContact SG-CB 3.41Å; Y415-C456 PolarHBondContact O-N 3.44Å; A417-C456 PolarHBondContact N-O 3.16Å; C456-R466 WeakPolarHBondContact SG-CD 3.5Å; C456-R466 VanDerWaalsContact SG-CG 3.6Å; C456-F468 HydrophobicContact CB-CD1 4.04Å; C456-F468 HydrophobicContact CB-CE1 4.03Å |
| 457 | I | 82.8 | Confident | 73.1 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 155.4 | 168.3 | 65 | 175.8 | 0 | 0 | 0 | 109.8 | A417 L428 W430 F433 S467 Y469 | A417-I457 HydrophobicContact CB-CG2 4.08Å; L428-I457 HydrophobicContact CD1-CG2 4.08Å; L428-I457 HydrophobicContact CD2-CB 4.16Å; L428-I457 HydrophobicContact CD2-CD1 3.83Å; L428-I457 HydrophobicContact CD2-CG2 3.69Å; W430-I457 HydrophobicContact CH2-CD1 3.73Å; W430-I457 HydrophobicContact CZ2-CD1 4.31Å; F433-I457 HydrophobicContact CD1-CG2 4.34Å; F433-I457 HydrophobicContact CD2-CG2 4.49Å; F433-I457 HydrophobicContact CE1-CG2 3.86Å; F433-I457 HydrophobicContact CE2-CG2 4.04Å; F433-I457 HydrophobicContact CZ-CG2 3.69Å; I457-S467 PolarHBondContact N-O 3.25Å; I457-Y469 HydrophobicContact CD1-CE2 3.64Å; I457-Y469 HydrophobicContact CG1-CE2 3.87Å; I457-Y469 HydrophobicContact CG2-CD2 4.31Å; I457-Y469 HydrophobicContact CG2-CE2 4.12Å |
| 458 | D | 69.4 | Low | 73.1 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -60.9 | 156.7 | 175.7 | -66.2 | -31.5 | 0 | 0 | 0 | 111.4 | Y422 C460 | Y422-D458 PolarHBondContact OH-N 3.36Å; Y422-D458 PolarHBondContact OH-OD2 2.9Å; D458-C460 PolarHBondContact O-N 3.46Å |
| 459 | N | 67.3 | Low | 72.7 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 135 | -167.4 | -66.1 | -27.8 | 0 | 0 | 0 | 113.4 | R466 | N459-R466 WeakPolarHBondContact OD1-CG 3.34Š|
| 460 | C | 54.9 | Low | 72.5 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 128.4 | 169.7 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | D458 D462 C463 G464 N465 | D458-C460 PolarHBondContact O-N 3.46Å; C460-D462 PolarHBondContact O-N 2.75Å; C460-C463 VanDerWaalsContact CB-SG 3.57Å; C460-G464 WeakPolarHBondContact O-CA 3.36Å; C460-G464 PolarHBondContact O-N 3.18Å; C460-N465 PolarHBondContact N-O 2.98Å |
| 461 | P | 53 | Low | 71.8 | Confident | 129 Ų | 129 | 58.3 Ų | 58.3 | 84% | 0.838 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.7 | 179.3 | -21.5 | 30.7 | 0 | 0 | 0 | 113.5 | ||
| 462 | D | 50.9 | Low | 70.6 | Confident | 158 Ų | 158 | 60.4 Ų | 60.4 | 85% | 0.845 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -34.1 | -171.7 | -61.2 | -42.2 | 0 | 0 | 0 | 113.5 | C460 | C460-D462 PolarHBondContact O-N 2.75Š|
| 463 | C | 58.9 | Low | 68.7 | Low | 74 Ų | 74 | 56 Ų | 56 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -9.5 | -176.7 | 69.2 | 0 | 0 | 0 | 0 | 114.6 | C460 N465 | C460-C463 VanDerWaalsContact CB-SG 3.57Å; C463-N465 PolarHBondContact O-N 3.5Å; C463-N465 VanDerWaalsContact O-N 3.13Å |
| 464 | G | 58.5 | Low | 66.8 | Low | 46 Ų | 46 | 62.6 Ų | 62.6 | 47% | 0.474 | 35% | 0.353 | S | S | . | . | trans | 69.4 | 1.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C460 | C460-G464 WeakPolarHBondContact O-CA 3.36Å; C460-G464 PolarHBondContact O-N 3.18Å | ||
| 465 | N | 62 | Low | 64.9 | Low | 76 Ų | 76 | 67.1 Ų | 67.1 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | trans | -90.1 | 150.9 | 178.3 | -69.6 | -22.9 | 0 | 0 | 0 | 111.7 | C460 C463 C478 | C460-N465 PolarHBondContact N-O 2.98Å; C463-N465 PolarHBondContact O-N 3.5Å; C463-N465 VanDerWaalsContact O-N 3.13Å; N465-C478 PolarHBondContact ND2-O 3.23Å | ||
| 466 | R | 71.3 | Confident | 62.9 | Low | 42 Ų | 42 | 75.1 Ų | 75.1 | 16% | 0.158 | 41% | 0.406 | C | S | . | . | trans | -71.8 | 142.4 | 166.9 | -78.5 | -177.2 | 156.7 | 130.4 | 59 | 111.2 | D360 D361 C456 N459 F468 | D360-R466 IonicContact OD2-NH1 2.73Å; D360-R466 PolarHBondContact OD2-NH1 3.25Å; D361-R466 IonicContact OD1-CZ 3.94Å; D361-R466 IonicContact OD1-NH1 2.85Å; D361-R466 IonicContact OD1-NH2 3.78Å; D361-R466 PolarHBondContact OD1-NH2 2.98Å; D361-R466 IonicContact OD2-CZ 2.66Å; D361-R466 IonicContact OD2-NH1 3.48Å; D361-R466 PolarHBondContact OD2-NH1 3.48Å; D361-R466 IonicContact OD2-NH2 3.37Å; D361-R466 PolarHBondContact OD2-NH2 3.35Å; C456-R466 WeakPolarHBondContact SG-CD 3.5Å; C456-R466 VanDerWaalsContact SG-CG 3.6Å; N459-R466 WeakPolarHBondContact OD1-CG 3.34Å; R466-F468 HydrophobicContact CB-CE2 3.88Å; R466-F468 HydrophobicContact CB-CZ 3.85Å | ||
| 467 | S | 71.7 | Confident | 60.9 | Low | 12 Ų | 12 | 78.2 Ų | 78.2 | 8% | 0.084 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.3 | 170.5 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | I457 Y469 | I457-S467 PolarHBondContact N-O 3.25Å; S467-Y469 WeakPolarHBondContact CB-OH 3.03Å |
| 468 | F | 80 | Confident | 58.9 | Low | 66 Ų | 66 | 84.9 Ų | 84.9 | 29% | 0.289 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.2 | -177.8 | -59.1 | -85.9 | 0 | 0 | 0 | 109.8 | V414 F454 C456 R466 Y476 | V414-F468 HydrophobicContact CG1-CD1 3.75Å; V414-F468 HydrophobicContact CG1-CE1 3.72Å; F454-F468 HydrophobicContact CB-CB 4.5Å; F454-F468 HydrophobicContact CD1-CB 4.43Å; C456-F468 HydrophobicContact CB-CD1 4.04Å; C456-F468 HydrophobicContact CB-CE1 4.03Å; R466-F468 HydrophobicContact CB-CE2 3.88Å; R466-F468 HydrophobicContact CB-CZ 3.85Å; F468-Y476 PolarHBondContact N-O 3.47Å; F468-Y476 PolarHBondContact O-N 2.76Å |
| 469 | Y | 73.8 | Confident | 58.4 | Low | 9 Ų | 9 | 84.7 Ų | 84.7 | 4% | 0.035 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.7 | -177.1 | -62.6 | -87.2 | 0 | 0 | 0 | 111.5 | W430 F433 R437 F454 F455 I457 S467 Q475 | W430-Y469 HydrophobicContact CH2-CE1 4.36Å; W430-Y469 HydrophobicContact CH2-CE2 4.34Å; W430-Y469 AromaticContact CH2-CZ 3.72Å; W430-Y469 WeakPolarHBondContact CH2-OH 3.32Å; W430-Y469 AromaticContact CZ3-CE1 4Å; W430-Y469 HydrophobicContact CZ3-CE1 4Å; W430-Y469 HydrophobicContact CZ3-CE2 4.3Å; W430-Y469 AromaticContact CZ3-CZ 3.72Å; F433-Y469 AromaticContact CE1-CD2 3.79Å; F433-Y469 HydrophobicContact CE1-CD2 3.79Å; F433-Y469 HydrophobicContact CE1-CE2 4.33Å; F433-Y469 HydrophobicContact CE1-CG 4Å; F433-Y469 HydrophobicContact CZ-CD2 4.02Å; F433-Y469 HydrophobicContact CZ-CG 4.38Å; R437-Y469 VanDerWaalsContact NH1-CB 3.26Å; F454-Y469 WeakPolarHBondContact CA-O 3.41Å; F455-Y469 PolarHBondContact N-O 3.21Å; F455-Y469 PolarHBondContact O-N 3.42Å; I457-Y469 HydrophobicContact CD1-CE2 3.64Å; I457-Y469 HydrophobicContact CG1-CE2 3.87Å; I457-Y469 HydrophobicContact CG2-CD2 4.31Å; I457-Y469 HydrophobicContact CG2-CE2 4.12Å; S467-Y469 WeakPolarHBondContact CB-OH 3.03Å; Y469-Q475 HydrophobicContact CE1-CG 3.79Å |
| 470 | D | 74 | Confident | 57.9 | Low | 44 Ų | 44 | 84.4 Ų | 84.4 | 24% | 0.235 | 47% | 0.472 | C | S | . | . | trans | -93.9 | 172.4 | 162.8 | -158.7 | -21.1 | 0 | 0 | 0 | 109.2 | F454 | F454-D470 HydrophobicContact CD1-CB 4.16Å; F454-D470 HydrophobicContact CE1-CB 3.96Å | ||
| 471 | L | 58.8 | Low | 58.1 | Low | 48 Ų | 48 | 87.1 Ų | 87.1 | 25% | 0.251 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -79.9 | -27.8 | 177.6 | -72.1 | 164.2 | 0 | 0 | 0 | 114.3 | M441 | M441-L471 HydrophobicContact CB-CD1 3.5Å; M441-L471 VanDerWaalsContact CB-CD1 3.5Å; M441-L471 HydrophobicContact CB-CD2 3.86Å; M441-L471 HydrophobicContact CB-CG 4.1Å; M441-L471 HydrophobicContact CE-CD1 3.4Å; M441-L471 HydrophobicContact CE-CG 4.32Å; M441-L471 HydrophobicContact CG-CD1 3.57Å; M441-L471 HydrophobicContact CG-CD2 3.87Å; M441-L471 HydrophobicContact CG-CG 3.84Å; M441-L471 HydrophobicContact SD-CD1 4.25Å |
| 472 | E | 55.3 | Low | 58.4 | Low | 172 Ų | 172 | 84.6 Ų | 84.6 | 80% | 0.804 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -92.4 | -13.7 | -169.8 | -66 | -173.7 | 176.4 | 0 | 0 | 113.9 | ||
| 473 | A | 46.9 | Very low | 58.9 | Low | 43 Ų | 43 | 80.1 Ų | 80.1 | 36% | 0.355 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -139.7 | 128.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q475 | A473-Q475 PolarHBondContact O-N 3.26Å; A473-Q475 VanDerWaalsContact O-N 3.12Å |
| 474 | D | 47.7 | Very low | 58.9 | Low | 144 Ų | 144 | 80.5 Ų | 80.5 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -63.6 | 111.6 | 160.6 | -76.5 | -39.8 | 0 | 0 | 0 | 108 | ||
| 475 | Q | 49.8 | Very low | 58.9 | Low | 115 Ų | 115 | 82.9 Ų | 82.9 | 54% | 0.537 | 43% | 0.434 | S | S | . | . | trans | 72.7 | 114.8 | 172.9 | -63.6 | 171.5 | -14.4 | 0 | 0 | 117.1 | Y469 A473 | Y469-Q475 HydrophobicContact CE1-CG 3.79Å; A473-Q475 PolarHBondContact O-N 3.26Å; A473-Q475 VanDerWaalsContact O-N 3.12Å | ||
| 476 | Y | 46.2 | Very low | 58.7 | Low | 171 Ų | 171 | 83.5 Ų | 83.5 | 67% | 0.671 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -97.9 | 94.1 | 134.8 | -95.1 | -87.6 | 0 | 0 | 0 | 107.4 | F468 | F468-Y476 PolarHBondContact N-O 3.47Å; F468-Y476 PolarHBondContact O-N 2.76Å |
| 477 | C | 45.8 | Very low | 57.6 | Low | 67 Ų | 67 | 86.9 Ų | 86.9 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | trans | -89.3 | 141.8 | 161.1 | -86.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 478 | C | 41.6 | Very low | 56.3 | Low | 152 Ų | 152 | 93.7 Ų | 93.7 | 100% | 1.027 | 49% | 0.493 | S | S | * | . | trans | -84.7 | 0 | 149.4 | -81.9 | 0 | 0 | 0 | 0 | 108.7 | N465 | N465-C478 PolarHBondContact ND2-O 3.23Š|
Retrieved 478 of 478 residues in 379.1 ms
(Link to these results)