| 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 | 36.3 | Very low | 33.2 | Very low | 248 Ų | 248 | 150.5 Ų | 150.5 | 100% | 1.222 | 86% | 0.861 | S | S | * | * | 0 | 134.9 | 0 | -112.2 | 171.5 | 170.7 | 0 | 0 | 107.9 | |||||
| 2 | S | 34.9 | Very low | 33.8 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 86% | 0.857 | S | S | * | * | trans | -60.2 | 151.2 | -161.7 | -48.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3 | T | 29.8 | Very low | 34 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 85% | 0.847 | 84% | 0.843 | S | S | * | * | trans | -158.8 | 91.5 | 148.5 | -1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | A | 30.9 | Very low | 34.4 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 74% | 0.744 | 84% | 0.837 | S | S | * | * | 72.6 | 103.6 | 89.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 5 | T | 29.9 | Very low | 34.6 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 87% | 0.871 | 83% | 0.833 | S | S | * | * | trans | -61.4 | 131.4 | -179.9 | -23.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 6 | T | 29.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 82% | 0.816 | 83% | 0.829 | S | S | * | * | trans | -113.3 | 114.8 | 159.1 | 19.3 | 0 | 0 | 0 | 0 | 108.6 | N8 | T6-N8 PolarHBondContact O-N 3.1Š| ||
| 7 | K | 34.7 | Very low | 35.8 | Very low | 207 Ų | 207 | 138.7 Ų | 138.7 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | trans | -70.8 | 110.3 | 165.9 | -93.6 | -179.3 | 171.8 | 177.9 | 0 | 107.8 | ||||
| 8 | N | 31.1 | Very low | 37.2 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -105.8 | 123.1 | 156.4 | -89.2 | -12.8 | 0 | 0 | 0 | 108.6 | T6 P10 | T6-N8 PolarHBondContact O-N 3.1Å; N8-P10 WeakPolarHBondContact O-CD 3.4Å | ||
| 9 | M | 39.7 | Very low | 39 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 94% | 0.941 | 80% | 0.798 | S | S | * | * | trans | -75.1 | 125.9 | 167.7 | -144.4 | 176.7 | 163.4 | 0 | 0 | 107.7 | ||||
| 10 | P | 35.1 | Very low | 41.1 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -105.5 | 112.4 | 163.5 | 4.4 | 17.5 | 0 | 0 | 0 | 109.7 | N8 | N8-P10 WeakPolarHBondContact O-CD 3.4Š| ||
| 11 | T | 32.8 | Very low | 43.3 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 28.4 | 115.9 | 131 | -27.3 | 0 | 0 | 0 | 0 | 117.3 | A13 | T11-A13 PolarHBondContact O-N 3.45Š| ||
| 12 | V | 40.5 | Very low | 45.7 | Very low | 133 Ų | 133 | 115.4 Ų | 115.4 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | trans | -57.3 | 102.7 | 162 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | T14 | V12-T14 PolarHBondContact O-N 2.96Š| ||
| 13 | A | 35.7 | Very low | 48.3 | Very low | 82 Ų | 82 | 113.6 Ų | 113.6 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | trans | -78.6 | 110.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | T11 T15 | T11-A13 PolarHBondContact O-N 3.45Å; A13-T15 PolarHBondContact O-N 3.34Å | ||
| 14 | T | 39.5 | Very low | 51.1 | Low | 125 Ų | 125 | 109.4 Ų | 109.4 | 77% | 0.767 | 66% | 0.658 | S | S | * | * | trans | -66.3 | 98.4 | 165.9 | -40.5 | 0 | 0 | 0 | 0 | 107.1 | V12 T16 | V12-T14 PolarHBondContact O-N 2.96Å; T14-T16 PolarHBondContact O-N 3.22Å; T14-T16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | T | 37.7 | Very low | 54 | Low | 125 Ų | 125 | 108 Ų | 108 | 77% | 0.767 | 64% | 0.64 | S | S | * | * | trans | -70.8 | 103 | 174.2 | -18.5 | 0 | 0 | 0 | 0 | 107.8 | A13 T17 | A13-T15 PolarHBondContact O-N 3.34Å; T15-T17 PolarHBondContact O-N 3.32Å | ||
| 16 | T | 42.5 | Very low | 56.8 | Low | 127 Ų | 127 | 101.6 Ų | 101.6 | 78% | 0.779 | 60% | 0.6 | S | S | * | * | trans | -61.8 | 105 | 166.9 | -35 | 0 | 0 | 0 | 0 | 107.3 | T14 V18 | T14-T16 PolarHBondContact O-N 3.22Å; T14-T16 VanDerWaalsContact O-N 3.1Å; T16-V18 PolarHBondContact O-N 3.06Å | ||
| 17 | T | 48.3 | Very low | 59.6 | Low | 110 Ų | 110 | 97 Ų | 97 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | trans | -65.2 | 104.9 | 174.7 | 31.2 | 0 | 0 | 0 | 0 | 108.5 | T15 A19 | T15-T17 PolarHBondContact O-N 3.32Å; T17-A19 PolarHBondContact O-N 3.02Å | ||
| 18 | V | 60.3 | Low | 62.1 | Low | 128 Ų | 128 | 87.1 Ų | 87.1 | 78% | 0.776 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 116.9 | 173.3 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | T16 S20 | T16-V18 PolarHBondContact O-N 3.06Å; V18-S20 PolarHBondContact O-N 3.02Å |
| 19 | A | 70.6 | Confident | 64.6 | Low | 54 Ų | 54 | 82.7 Ų | 82.7 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 125.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | T17 I82 | T17-A19 PolarHBondContact O-N 3.02Å; A19-I82 HydrophobicContact CB-CG2 3.97Å |
| 20 | S | 81.9 | Confident | 66.9 | Low | 28 Ų | 28 | 75.6 Ų | 75.6 | 20% | 0.196 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.1 | 175.8 | 66.7 | 0 | 0 | 0 | 0 | 110 | V18 I82 S83 S85 G86 | V18-S20 PolarHBondContact O-N 3.02Å; S20-I82 WeakPolarHBondContact O-CA 3.25Å; S20-S83 PolarHBondContact N-O 3.13Å; S20-S83 PolarHBondContact O-N 2.69Å; S20-S83 VanDerWaalsContact O-N 3.11Å; S20-S83 PolarHBondContact OG-O 3.31Å; S20-S85 PolarHBondContact OG-O 3.07Å; S20-S85 VanDerWaalsContact OG-O 3.1Å; S20-G86 WeakPolarHBondContact OG-CA 3.19Å |
| 21 | V | 86.9 | Confident | 69.4 | Low | 84 Ų | 84 | 77.1 Ų | 77.1 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.7 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | T80 L81 I82 | V21-T80 HydrophobicContact CG1-CG2 3.5Å; V21-L81 WeakPolarHBondContact CA-O 3.48Å; V21-I82 HydrophobicContact CG2-CG1 4.4Å |
| 22 | I | 87.3 | Confident | 72.1 | Confident | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.097 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.6 | -172.1 | -57.4 | 157.3 | 0 | 0 | 0 | 109.3 | R24 T80 L81 V91 | I22-R24 HydrophobicContact CG2-CG 4.29Å; I22-T80 CarbonylContact O-C 3.57Å; I22-T80 WeakPolarHBondContact O-CA 3.34Å; I22-L81 PolarHBondContact N-O 3.04Å; I22-L81 PolarHBondContact O-N 3.09Å; I22-V91 HydrophobicContact CD1-CG2 3.64Å; I22-V91 HydrophobicContact CG2-CG1 4.11Å |
| 23 | S | 89 | Confident | 74.4 | Confident | 77 Ų | 77 | 71.6 Ų | 71.6 | 54% | 0.538 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138.6 | 175.4 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | Y79 T80 | S23-Y79 WeakPolarHBondContact CA-O 3.31Å; S23-T80 PolarHBondContact OG-OG1 2.74Å |
| 24 | R | 89.3 | Confident | 76.8 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 19% | 0.192 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 161.9 | -179 | -72.6 | -65.6 | -170.8 | -96 | 7.1 | 109.6 | I22 Y79 V91 D92 | I22-R24 HydrophobicContact CG2-CG 4.29Å; R24-Y79 HydrophobicContact CB-CD1 4.18Å; R24-Y79 HydrophobicContact CB-CE1 3.45Å; R24-Y79 VanDerWaalsContact CB-CE1 3.45Å; R24-Y79 HydrophobicContact CB-CE2 3.91Å; R24-Y79 WeakPolarHBondContact CB-OH 3.33Å; R24-Y79 PolarHBondContact N-O 2.87Å; R24-Y79 WeakPolarHBondContact O-CD1 3.26Å; R24-Y79 PolarHBondContact O-N 2.98Å; R24-V91 HydrophobicContact CG-CG1 4.43Å; R24-D92 IonicContact CZ-OD1 3.87Å; R24-D92 IonicContact NE-OD1 2.73Å; R24-D92 PolarHBondContact NE-OD1 3.45Å; R24-D92 IonicContact NH2-OD1 3.05Å; R24-D92 PolarHBondContact NH2-OD1 2.84Å |
| 25 | T | 90.5 | Very high | 79.1 | Confident | 59 Ų | 59 | 69.4 Ų | 69.4 | 36% | 0.362 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.5 | 178.3 | -167.8 | 0 | 0 | 0 | 0 | 110.6 | I76 A77 D78 K95 | T25-I76 VanDerWaalsContact OG1-CG2 3.31Å; T25-I76 WeakPolarHBondContact OG1-CG2 3.44Å; T25-A77 VanDerWaalsContact CA-O 3.28Å; T25-A77 WeakPolarHBondContact CA-O 3.43Å; T25-A77 PolarHBondContact OG1-O 2.89Å; T25-D78 VanDerWaalsContact CB-OD1 3.25Å; T25-D78 WeakPolarHBondContact CB-OD1 3.44Å; T25-D78 PolarHBondContact OG1-OD1 3.21Å; T25-K95 WeakPolarHBondContact O-CE 3.17Å; T25-K95 PolarHBondContact O-NZ 3.32Å |
| 26 | F | 89.1 | Confident | 81.6 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 165.1 | 170.2 | 71.3 | -91 | 0 | 0 | 0 | 111 | L28 I47 A77 Y79 M98 L99 L102 | F26-L28 HydrophobicContact CD2-CD2 4.4Å; F26-L28 HydrophobicContact CD2-CG 4.47Å; F26-L28 HydrophobicContact CE2-CD1 4.46Å; F26-L28 HydrophobicContact CE2-CD2 3.9Å; F26-L28 HydrophobicContact CE2-CG 3.95Å; F26-I47 HydrophobicContact CE1-CG2 4.08Å; F26-I47 HydrophobicContact CZ-CD1 4.36Å; F26-I47 HydrophobicContact CZ-CG1 4.22Å; F26-I47 HydrophobicContact CZ-CG2 3.65Å; F26-A77 HydrophobicContact CD1-CB 3.92Å; F26-A77 HydrophobicContact CD2-CB 4.29Å; F26-A77 HydrophobicContact CE1-CB 3.49Å; F26-A77 VanDerWaalsContact CE1-CB 3.49Å; F26-A77 HydrophobicContact CE2-CB 3.89Å; F26-A77 HydrophobicContact CG-CB 4.3Å; F26-A77 HydrophobicContact CZ-CB 3.48Å; F26-A77 VanDerWaalsContact CZ-CB 3.48Å; F26-A77 PolarHBondContact N-O 3.12Å; F26-A77 VanDerWaalsContact N-O 3.13Å; F26-A77 PolarHBondContact O-N 3.45Å; F26-Y79 HydrophobicContact CD1-CD1 4.12Å; F26-Y79 AromaticContact CD1-CE1 3.78Å; F26-Y79 HydrophobicContact CD1-CE1 3.78Å; F26-Y79 HydrophobicContact CE1-CD1 4.19Å; F26-Y79 HydrophobicContact CE1-CE1 4.16Å; F26-M98 HydrophobicContact CD1-CE 3.65Å; F26-M98 HydrophobicContact CE1-CE 3.66Å; F26-M98 HydrophobicContact CE1-SD 4.29Å; F26-M98 HydrophobicContact CG-CE 4.27Å; F26-M98 HydrophobicContact CZ-CE 4.3Å; F26-L99 HydrophobicContact CB-CD2 3.72Å; F26-L99 HydrophobicContact CD1-CD2 4.26Å; F26-L99 HydrophobicContact CD2-CD2 3.45Å; F26-L99 VanDerWaalsContact CD2-CD2 3.45Å; F26-L99 HydrophobicContact CE2-CD2 4.07Å; F26-L99 HydrophobicContact CG-CD2 3.56Å; F26-L102 HydrophobicContact CE2-CD1 3.82Å; F26-L102 HydrophobicContact CZ-CD1 3.71Å |
| 27 | T | 87.9 | Confident | 83.9 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 22% | 0.221 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.3 | -172.5 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | S74 D109 | T27-S74 WeakPolarHBondContact CG2-O 3.47Å; T27-D109 HydrophobicContact CG2-CB 4.14Å; T27-D109 PolarHBondContact O-N 2.86Å |
| 28 | L | 88.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.4 | 164.3 | -61.2 | 175.4 | 0 | 0 | 0 | 107.7 | F26 M30 V43 I47 S74 T75 P107 V108 | F26-L28 HydrophobicContact CD2-CD2 4.4Å; F26-L28 HydrophobicContact CD2-CG 4.47Å; F26-L28 HydrophobicContact CE2-CD1 4.46Å; F26-L28 HydrophobicContact CE2-CD2 3.9Å; F26-L28 HydrophobicContact CE2-CG 3.95Å; L28-M30 HydrophobicContact CB-CG 3.95Å; L28-M30 HydrophobicContact CB-SD 4.25Å; L28-M30 HydrophobicContact CD1-SD 4.39Å; L28-M30 PolarHBondContact O-N 2.96Å; L28-V43 HydrophobicContact CD1-CG1 4.45Å; L28-I47 HydrophobicContact CD1-CD1 3.7Å; L28-I47 HydrophobicContact CD1-CG1 4.4Å; L28-S74 CarbonylContact O-C 3.56Å; L28-S74 WeakPolarHBondContact O-CB 3.3Å; L28-T75 HydrophobicContact CB-CG2 4.47Å; L28-T75 HydrophobicContact CD1-CG2 4.37Å; L28-T75 PolarHBondContact N-O 2.9Å; L28-T75 PolarHBondContact O-N 2.96Å; L28-P107 CarbonylContact C-O 3.56Å; L28-P107 WeakPolarHBondContact CA-O 3.48Å; L28-V108 HydrophobicContact CD2-CB 4.39Å; L28-V108 HydrophobicContact CD2-CG2 3.7Å |
| 29 | N | 84.6 | Confident | 87.2 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 31% | 0.305 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 61 | -178.2 | -157.7 | 18.7 | 0 | 0 | 0 | 112 | S74 P107 G192 | N29-S74 PolarHBondContact OD1-OG 2.72Å; N29-P107 HydrophobicContact CB-CB 4.3Å; N29-P107 PolarHBondContact N-O 2.84Å; N29-P107 VanDerWaalsContact O-CG 3.27Å; N29-P107 WeakPolarHBondContact O-CG 3.37Å; N29-G192 WeakPolarHBondContact CB-O 3.46Å; N29-G192 PolarHBondContact ND2-O 3.47Å |
| 30 | M | 86.8 | Confident | 88.1 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 21% | 0.207 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 154.5 | 179.7 | 62.6 | -176.7 | -68.2 | 0 | 0 | 110.6 | L28 Y36 T75 Y106 P107 | L28-M30 HydrophobicContact CB-CG 3.95Å; L28-M30 HydrophobicContact CB-SD 4.25Å; L28-M30 HydrophobicContact CD1-SD 4.39Å; L28-M30 PolarHBondContact O-N 2.96Å; M30-Y36 HydrophobicContact CE-CE2 3.84Å; M30-T75 PolarHBondContact O-N 2.99Å; M30-T75 PolarHBondContact O-OG1 2.58Å; M30-Y106 HydrophobicContact SD-CD1 4.05Å; M30-P107 HydrophobicContact CB-CG 4.16Å |
| 31 | D | 87.3 | Confident | 88.6 | Confident | 146 Ų | 146 | 64.1 Ų | 64.1 | 78% | 0.781 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 139.1 | -179.6 | -69 | -35.1 | 0 | 0 | 0 | 112.1 | Y36 T75 | D31-Y36 WeakPolarHBondContact O-CE2 3.48Å; D31-T75 PolarHBondContact O-OG1 3.24Å |
| 32 | F | 89.9 | Confident | 88.7 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | trans | -81.2 | 126.9 | 179.6 | 171.7 | -95.5 | 0 | 0 | 0 | 112.1 | T34 L70 R72 T75 | F32-T34 HydrophobicContact CE1-CG2 4.05Å; F32-L70 HydrophobicContact CD2-CB 4.47Å; F32-L70 VanDerWaalsContact CE2-C 3.49Å; F32-L70 HydrophobicContact CE2-CB 3.97Å; F32-L70 VanDerWaalsContact CE2-O 3.23Å; F32-L70 WeakPolarHBondContact CE2-O 3.39Å; F32-R72 HydrophobicContact CD1-CB 4.33Å; F32-R72 HydrophobicContact CD1-CG 3.4Å; F32-R72 VanDerWaalsContact CD1-CG 3.4Å; F32-R72 HydrophobicContact CE1-CG 3.8Å; F32-R72 HydrophobicContact CG-CG 4.15Å; F32-T75 VanDerWaalsContact CA-OG1 3.27Å; F32-T75 WeakPolarHBondContact CA-OG1 3.27Å; F32-T75 HydrophobicContact CD2-CG2 4.48Å; F32-T75 PolarHBondContact N-OG1 2.95Å | ||
| 33 | E | 89.2 | Confident | 88.8 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | trans | -110.2 | 141.6 | 165.5 | -64.7 | 178.1 | -143.1 | 0 | 0 | 111.9 | S35 Y36 | E33-S35 WeakPolarHBondContact CB-OG 3.36Å; E33-S35 PolarHBondContact O-N 2.76Å; E33-S35 VanDerWaalsContact O-N 3.13Å; E33-S35 PolarHBondContact OE2-OG 3.45Å; E33-Y36 HydrophobicContact CB-CD1 3.93Å; E33-Y36 HydrophobicContact CB-CD2 4.17Å; E33-Y36 HydrophobicContact CB-CE1 3.66Å; E33-Y36 HydrophobicContact CB-CE2 3.95Å; E33-Y36 HydrophobicContact CB-CG 4.16Å; E33-Y36 HydrophobicContact CG-CE1 3.96Å; E33-Y36 HydrophobicContact CG-CE2 4.22Å; E33-Y36 WeakPolarHBondContact O-CB 3.38Å; E33-Y36 PolarHBondContact O-N 3.41Å; E33-Y36 PolarHBondContact OE1-OH 2.82Å | ||
| 34 | T | 86.3 | Confident | 89 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -61.1 | -24.6 | 175.3 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | F32 Y36 | F32-T34 HydrophobicContact CE1-CG2 4.05Å; T34-Y36 PolarHBondContact O-N 2.79Å |
| 35 | S | 88.1 | Confident | 89.1 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -61.7 | -25.5 | 175.8 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | E33 N37 N38 | E33-S35 WeakPolarHBondContact CB-OG 3.36Å; E33-S35 PolarHBondContact O-N 2.76Å; E33-S35 VanDerWaalsContact O-N 3.13Å; E33-S35 PolarHBondContact OE2-OG 3.45Å; S35-N37 VanDerWaalsContact C-N 3.29Å; S35-N37 PolarHBondContact O-N 3.25Å; S35-N38 WeakPolarHBondContact O-CB 3.33Å; S35-N38 PolarHBondContact O-N 3.01Å |
| 36 | Y | 90.4 | Very high | 89.1 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -70.7 | -20.5 | -175.9 | -58 | -15.8 | 0 | 0 | 0 | 113.7 | M30 D31 E33 T34 N38 V43 Y44 L70 T75 | M30-Y36 HydrophobicContact CE-CE2 3.84Å; D31-Y36 WeakPolarHBondContact O-CE2 3.48Å; E33-Y36 HydrophobicContact CB-CD1 3.93Å; E33-Y36 HydrophobicContact CB-CD2 4.17Å; E33-Y36 HydrophobicContact CB-CE1 3.66Å; E33-Y36 HydrophobicContact CB-CE2 3.95Å; E33-Y36 HydrophobicContact CB-CG 4.16Å; E33-Y36 HydrophobicContact CG-CE1 3.96Å; E33-Y36 HydrophobicContact CG-CE2 4.22Å; E33-Y36 WeakPolarHBondContact O-CB 3.38Å; E33-Y36 PolarHBondContact O-N 3.41Å; E33-Y36 PolarHBondContact OE1-OH 2.82Å; T34-Y36 PolarHBondContact O-N 2.79Å; Y36-N38 PolarHBondContact O-N 2.87Å; Y36-V43 HydrophobicContact CD1-CB 4.37Å; Y36-V43 HydrophobicContact CD1-CG2 4.12Å; Y36-V43 HydrophobicContact CE1-CG2 4.19Å; Y36-V43 HydrophobicContact CG-CB 4.41Å; Y36-V43 HydrophobicContact CG-CG1 4.44Å; Y36-V43 HydrophobicContact CG-CG2 4.49Å; Y36-Y44 WeakPolarHBondContact O-CB 3.45Å; Y36-L70 VanDerWaalsContact O-CD1 3.23Å; Y36-L70 WeakPolarHBondContact O-CD1 3.3Å; Y36-T75 HydrophobicContact CD2-CG2 4.19Å |
| 37 | N | 90.3 | Very high | 89.2 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 32% | 0.321 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -79 | -5.4 | 171.9 | -80 | -50.6 | 0 | 0 | 0 | 113.7 | S35 K39 L70 | S35-N37 VanDerWaalsContact C-N 3.29Å; S35-N37 PolarHBondContact O-N 3.25Å; N37-K39 PolarHBondContact O-N 3.18Å; N37-L70 PolarHBondContact ND2-O 2.89Å; N37-L70 PolarHBondContact OD1-N 3.48Å; N37-L70 PolarHBondContact OD1-O 2.75Å |
| 38 | N | 89.3 | Confident | 89.5 | Confident | 91 Ų | 91 | 63.3 Ų | 63.3 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -72.9 | 124.9 | 173.2 | -172.9 | -22 | 0 | 0 | 0 | 109.5 | S35 Y36 N40 S41 Y44 | S35-N38 WeakPolarHBondContact O-CB 3.33Å; S35-N38 PolarHBondContact O-N 3.01Å; Y36-N38 PolarHBondContact O-N 2.87Å; N38-N40 PolarHBondContact O-N 2.8Å; N38-N40 PolarHBondContact OD1-N 3.4Å; N38-S41 WeakPolarHBondContact O-CB 3.19Å; N38-S41 PolarHBondContact O-N 2.91Å; N38-Y44 WeakPolarHBondContact O-CB 3.38Å |
| 39 | K | 88.9 | Confident | 89.6 | Confident | 147 Ų | 147 | 67.4 Ų | 67.4 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20.2 | 177.3 | -64.5 | -174.5 | 178.4 | -176.7 | 0 | 114 | N37 Y44 K45 | N37-K39 PolarHBondContact O-N 3.18Å; K39-Y44 HydrophobicContact CB-CD1 4.39Å; K39-Y44 HydrophobicContact CB-CE1 4.33Å; K39-Y44 HydrophobicContact CG-CD1 4.44Å; K39-Y44 HydrophobicContact CG-CE1 3.96Å; K39-K45 WeakPolarHBondContact O-CE 3.33Å; K39-K45 WeakPolarHBondContact O-CG 3.36Å |
| 40 | N | 88.3 | Confident | 90 | Very high | 120 Ų | 120 | 64.7 Ų | 64.7 | 64% | 0.642 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -11.3 | 175.8 | -74.1 | -22.9 | 0 | 0 | 0 | 114.5 | N38 | N38-N40 PolarHBondContact O-N 2.8Å; N38-N40 PolarHBondContact OD1-N 3.4Å |
| 41 | S | 92.3 | Very high | 90.2 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -61.7 | 141.8 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | N38 V43 Y44 K45 | N38-S41 WeakPolarHBondContact O-CB 3.19Å; N38-S41 PolarHBondContact O-N 2.91Å; S41-V43 VanDerWaalsContact C-N 3.3Å; S41-V43 PolarHBondContact O-N 3.25Å; S41-V43 PolarHBondContact OG-N 3.11Å; S41-Y44 PolarHBondContact O-N 2.79Å; S41-K45 WeakPolarHBondContact O-CG 3.36Å; S41-K45 PolarHBondContact O-N 2.97Å; S41-K45 VanDerWaalsContact O-N 3.1Å |
| 42 | T | 90.2 | Very high | 90.4 | Very high | 99 Ų | 99 | 57.4 Ų | 57.4 | 61% | 0.607 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.3 | -42 | 175.5 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | K45 D46 | T42-K45 PolarHBondContact O-N 3.11Å; T42-D46 WeakPolarHBondContact O-CB 3.34Å; T42-D46 PolarHBondContact O-N 2.92Å |
| 43 | V | 89.8 | Confident | 90.5 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | L28 Y36 S41 K45 I47 Y106 | L28-V43 HydrophobicContact CD1-CG1 4.45Å; Y36-V43 HydrophobicContact CD1-CB 4.37Å; Y36-V43 HydrophobicContact CD1-CG2 4.12Å; Y36-V43 HydrophobicContact CE1-CG2 4.19Å; Y36-V43 HydrophobicContact CG-CB 4.41Å; Y36-V43 HydrophobicContact CG-CG1 4.44Å; Y36-V43 HydrophobicContact CG-CG2 4.49Å; S41-V43 VanDerWaalsContact C-N 3.3Å; S41-V43 PolarHBondContact O-N 3.25Å; S41-V43 PolarHBondContact OG-N 3.11Å; V43-K45 PolarHBondContact O-N 2.84Å; V43-I47 HydrophobicContact CG1-CD1 3.82Å; V43-I47 WeakPolarHBondContact O-CD1 3.45Å; V43-I47 VanDerWaalsContact O-CG1 3.24Å; V43-I47 WeakPolarHBondContact O-CG1 3.41Å; V43-I47 PolarHBondContact O-N 3.1Å; V43-I47 VanDerWaalsContact O-N 3.09Å; V43-Y106 HydrophobicContact CG2-CE1 4.04Å |
| 44 | Y | 91.8 | Very high | 90.6 | Very high | 26 Ų | 26 | 55 Ų | 55 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 178.6 | -169.7 | -80.7 | 0 | 0 | 0 | 111.5 | Y36 N38 K39 S41 I47 H48 L68 L70 | Y36-Y44 WeakPolarHBondContact O-CB 3.45Å; N38-Y44 WeakPolarHBondContact O-CB 3.38Å; K39-Y44 HydrophobicContact CB-CD1 4.39Å; K39-Y44 HydrophobicContact CB-CE1 4.33Å; K39-Y44 HydrophobicContact CG-CD1 4.44Å; K39-Y44 HydrophobicContact CG-CE1 3.96Å; S41-Y44 PolarHBondContact O-N 2.79Å; Y44-I47 PolarHBondContact O-N 3.32Å; Y44-H48 HydrophobicContact CD1-CB 4.31Å; Y44-H48 HydrophobicContact CE1-CB 4.18Å; Y44-H48 WeakPolarHBondContact O-CB 3.31Å; Y44-H48 PolarHBondContact O-N 3.44Å; Y44-L68 HydrophobicContact CD1-CD2 4.45Å; Y44-L68 HydrophobicContact CD2-CD2 4.09Å; Y44-L68 HydrophobicContact CD2-CG 4.47Å; Y44-L68 HydrophobicContact CE1-CD2 4.23Å; Y44-L68 HydrophobicContact CE2-CB 4.19Å; Y44-L68 HydrophobicContact CE2-CD2 3.88Å; Y44-L68 HydrophobicContact CE2-CG 3.97Å; Y44-L68 HydrophobicContact CG-CD2 4.38Å; Y44-L70 HydrophobicContact CD2-CD1 4.28Å |
| 45 | K | 91.5 | Very high | 90.8 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 179.9 | -73.8 | 176.9 | 176 | 165.3 | 0 | 111.5 | K39 S41 T42 V43 I47 H48 D49 | K39-K45 WeakPolarHBondContact O-CE 3.33Å; K39-K45 WeakPolarHBondContact O-CG 3.36Å; S41-K45 WeakPolarHBondContact O-CG 3.36Å; S41-K45 PolarHBondContact O-N 2.97Å; S41-K45 VanDerWaalsContact O-N 3.1Å; T42-K45 PolarHBondContact O-N 3.11Å; V43-K45 PolarHBondContact O-N 2.84Å; K45-I47 VanDerWaalsContact C-N 3.3Å; K45-I47 PolarHBondContact O-N 3.41Å; K45-H48 PolarHBondContact O-N 3.45Å; K45-D49 VanDerWaalsContact O-CB 3.27Å; K45-D49 WeakPolarHBondContact O-CB 3.03Å; K45-D49 PolarHBondContact O-N 2.96Å |
| 46 | D | 91.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 179.6 | -79.3 | -23.3 | 0 | 0 | 0 | 111.9 | T42 A50 K105 Y106 | T42-D46 WeakPolarHBondContact O-CB 3.34Å; T42-D46 PolarHBondContact O-N 2.92Å; D46-A50 VanDerWaalsContact O-CB 3.26Å; D46-A50 WeakPolarHBondContact O-CB 3.15Å; D46-A50 PolarHBondContact O-N 3Å; D46-A50 VanDerWaalsContact O-N 3.09Å; D46-K105 VanDerWaalsContact CG-NZ 3.28Å; D46-K105 IonicContact OD1-NZ 3.74Å; D46-K105 PolarHBondContact OD1-NZ 3.04Å; D46-K105 WeakPolarHBondContact OD2-CD 3.32Å; D46-K105 IonicContact OD2-NZ 2.67Å; D46-K105 PolarHBondContact OD2-NZ 2.69Å; D46-Y106 HydrophobicContact CB-CE2 3.82Å; D46-Y106 WeakPolarHBondContact OD2-CE2 3.43Å; D46-Y106 PolarHBondContact OD2-OH 3.16Å |
| 47 | I | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.5 | -49 | 176.7 | -65.9 | 168.9 | 0 | 0 | 0 | 111.1 | F26 L28 V43 Y44 K45 D49 A50 I51 L68 L70 L102 | F26-I47 HydrophobicContact CE1-CG2 4.08Å; F26-I47 HydrophobicContact CZ-CD1 4.36Å; F26-I47 HydrophobicContact CZ-CG1 4.22Å; F26-I47 HydrophobicContact CZ-CG2 3.65Å; L28-I47 HydrophobicContact CD1-CD1 3.7Å; L28-I47 HydrophobicContact CD1-CG1 4.4Å; V43-I47 HydrophobicContact CG1-CD1 3.82Å; V43-I47 WeakPolarHBondContact O-CD1 3.45Å; V43-I47 VanDerWaalsContact O-CG1 3.24Å; V43-I47 WeakPolarHBondContact O-CG1 3.41Å; V43-I47 PolarHBondContact O-N 3.1Å; V43-I47 VanDerWaalsContact O-N 3.09Å; Y44-I47 PolarHBondContact O-N 3.32Å; K45-I47 VanDerWaalsContact C-N 3.3Å; K45-I47 PolarHBondContact O-N 3.41Å; I47-D49 VanDerWaalsContact C-N 3.34Å; I47-D49 PolarHBondContact O-N 2.91Å; I47-A50 PolarHBondContact O-N 2.93Å; I47-I51 HydrophobicContact CG2-CD1 3.55Å; I47-I51 HydrophobicContact CG2-CG1 4.24Å; I47-I51 WeakPolarHBondContact O-CD1 3.23Å; I47-I51 WeakPolarHBondContact O-CG1 3.41Å; I47-I51 PolarHBondContact O-N 3.05Å; I47-L68 HydrophobicContact CB-CD2 4.14Å; I47-L68 HydrophobicContact CG2-CD1 3.84Å; I47-L68 HydrophobicContact CG2-CD2 3.66Å; I47-L68 HydrophobicContact CG2-CG 4.42Å; I47-L70 HydrophobicContact CD1-CD1 4.38Å; I47-L70 HydrophobicContact CD1-CD2 3.76Å; I47-L102 HydrophobicContact CG1-CD1 4.34Å; I47-L102 HydrophobicContact CG1-CD2 4.26Å |
| 48 | H | 92.5 | Very high | 90.7 | Very high | 58 Ų | 58 | 55.6 Ų | 55.6 | 27% | 0.269 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | -178.1 | -174.3 | 79.3 | 0 | 0 | 0 | 112.1 | Y44 K45 I51 T52 L68 | Y44-H48 HydrophobicContact CD1-CB 4.31Å; Y44-H48 HydrophobicContact CE1-CB 4.18Å; Y44-H48 WeakPolarHBondContact O-CB 3.31Å; Y44-H48 PolarHBondContact O-N 3.44Å; K45-H48 PolarHBondContact O-N 3.45Å; H48-I51 PolarHBondContact O-N 3.28Å; H48-T52 WeakPolarHBondContact O-CB 3.5Å; H48-T52 PolarHBondContact O-N 3.1Å; H48-T52 PolarHBondContact O-OG1 2.67Å; H48-L68 HydrophobicContact CB-CD2 4.1Å |
| 49 | D | 91.9 | Very high | 90.7 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 179.2 | -68 | -14.8 | 0 | 0 | 0 | 110.8 | K45 I47 T52 T53 | K45-D49 VanDerWaalsContact O-CB 3.27Å; K45-D49 WeakPolarHBondContact O-CB 3.03Å; K45-D49 PolarHBondContact O-N 2.96Å; I47-D49 VanDerWaalsContact C-N 3.34Å; I47-D49 PolarHBondContact O-N 2.91Å; D49-T52 PolarHBondContact O-N 3.37Å; D49-T53 VanDerWaalsContact O-CB 3.25Å; D49-T53 WeakPolarHBondContact O-CB 3.46Å; D49-T53 PolarHBondContact O-N 2.84Å; D49-T53 PolarHBondContact O-OG1 3.39Å |
| 50 | A | 91.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D46 I47 K54 M98 L102 | D46-A50 VanDerWaalsContact O-CB 3.26Å; D46-A50 WeakPolarHBondContact O-CB 3.15Å; D46-A50 PolarHBondContact O-N 3Å; D46-A50 VanDerWaalsContact O-N 3.09Å; I47-A50 PolarHBondContact O-N 2.93Å; A50-K54 WeakPolarHBondContact O-CB 3.27Å; A50-K54 WeakPolarHBondContact O-CG 3.23Å; A50-K54 PolarHBondContact O-N 3.49Å; A50-K54 VanDerWaalsContact O-N 3.11Å; A50-M98 HydrophobicContact CB-CG 3.83Å; A50-L102 HydrophobicContact CB-CD1 4.48Å; A50-L102 HydrophobicContact CB-CD2 3.98Å; A50-L102 HydrophobicContact CB-CG 4.05Å |
| 51 | I | 91.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 177 | -65.1 | 161.1 | 0 | 0 | 0 | 110.1 | I47 H48 C55 V65 L68 Y79 L81 M98 | I47-I51 HydrophobicContact CG2-CD1 3.55Å; I47-I51 HydrophobicContact CG2-CG1 4.24Å; I47-I51 WeakPolarHBondContact O-CD1 3.23Å; I47-I51 WeakPolarHBondContact O-CG1 3.41Å; I47-I51 PolarHBondContact O-N 3.05Å; H48-I51 PolarHBondContact O-N 3.28Å; I51-C55 VanDerWaalsContact O-CB 3.25Å; I51-C55 WeakPolarHBondContact O-CB 3.49Å; I51-C55 PolarHBondContact O-N 3.37Å; I51-V65 HydrophobicContact CB-CG2 4.01Å; I51-V65 HydrophobicContact CG2-CG2 3.42Å; I51-V65 VanDerWaalsContact CG2-CG2 3.42Å; I51-L68 HydrophobicContact CD1-CD1 4.05Å; I51-L68 HydrophobicContact CD1-CD2 4.38Å; I51-Y79 HydrophobicContact CD1-CD1 4.29Å; I51-Y79 HydrophobicContact CD1-CD2 4.04Å; I51-Y79 HydrophobicContact CD1-CG 3.84Å; I51-Y79 HydrophobicContact CG1-CD2 4.3Å; I51-Y79 HydrophobicContact CG1-CE2 4.46Å; I51-Y79 HydrophobicContact CG1-CG 4.49Å; I51-Y79 HydrophobicContact CG2-CD2 3.78Å; I51-Y79 HydrophobicContact CG2-CE2 3.92Å; I51-L81 HydrophobicContact CG2-CD2 3.57Å; I51-M98 HydrophobicContact CB-SD 4.02Å; I51-M98 HydrophobicContact CD1-SD 4.4Å; I51-M98 HydrophobicContact CG1-CG 4.33Å; I51-M98 HydrophobicContact CG1-SD 3.2Å; I51-M98 WeakPolarHBondContact CG1-SD 3.43Å |
| 52 | T | 91.2 | Very high | 90.5 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | -174.8 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | H48 D49 K54 C55 Q56 V65 | H48-T52 WeakPolarHBondContact O-CB 3.5Å; H48-T52 PolarHBondContact O-N 3.1Å; H48-T52 PolarHBondContact O-OG1 2.67Å; D49-T52 PolarHBondContact O-N 3.37Å; T52-K54 PolarHBondContact O-N 3.09Å; T52-C55 PolarHBondContact O-N 2.73Å; T52-Q56 WeakPolarHBondContact O-CB 3.24Å; T52-Q56 WeakPolarHBondContact O-CG 3.38Å; T52-Q56 PolarHBondContact O-N 2.88Å; T52-V65 WeakPolarHBondContact OG1-CG2 3.25Å |
| 53 | T | 91.9 | Very high | 90.5 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -50.1 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 111 | D49 Q56 E57 | D49-T53 VanDerWaalsContact O-CB 3.25Å; D49-T53 WeakPolarHBondContact O-CB 3.46Å; D49-T53 PolarHBondContact O-N 2.84Å; D49-T53 PolarHBondContact O-OG1 3.39Å; T53-Q56 PolarHBondContact O-N 2.93Å; T53-E57 WeakPolarHBondContact O-CB 3.25Å; T53-E57 PolarHBondContact O-N 3.13Å |
| 54 | K | 91.8 | Very high | 90.4 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.6 | -31.2 | -175.8 | -62.6 | -56.8 | 178.2 | -179.8 | 0 | 113.5 | A50 T52 E57 L58 E97 M98 | A50-K54 WeakPolarHBondContact O-CB 3.27Å; A50-K54 WeakPolarHBondContact O-CG 3.23Å; A50-K54 PolarHBondContact O-N 3.49Å; A50-K54 VanDerWaalsContact O-N 3.11Å; T52-K54 PolarHBondContact O-N 3.09Å; K54-E57 VanDerWaalsContact CD-OE2 3.32Å; K54-E57 WeakPolarHBondContact CD-OE2 3.2Å; K54-E57 IonicContact NZ-OE2 2.67Å; K54-E57 PolarHBondContact NZ-OE2 3.34Å; K54-E57 PolarHBondContact O-N 3.44Å; K54-L58 WeakPolarHBondContact O-CB 3.28Å; K54-L58 PolarHBondContact O-N 2.83Å; K54-E97 HydrophobicContact CD-CB 4.24Å; K54-E97 HydrophobicContact CD-CG 3.76Å; K54-E97 HydrophobicContact CG-CG 4.47Å; K54-M98 HydrophobicContact CB-CB 4.16Å; K54-M98 HydrophobicContact CG-CB 4.14Å |
| 55 | C | 89.9 | Confident | 90.4 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 172.3 | -160.3 | 0 | 0 | 0 | 0 | 112.1 | I51 T52 E57 V59 S60 C63 L81 | I51-C55 VanDerWaalsContact O-CB 3.25Å; I51-C55 WeakPolarHBondContact O-CB 3.49Å; I51-C55 PolarHBondContact O-N 3.37Å; T52-C55 PolarHBondContact O-N 2.73Å; C55-E57 VanDerWaalsContact C-N 3.34Å; C55-V59 WeakPolarHBondContact O-CA 3.22Å; C55-V59 VanDerWaalsContact O-CB 3.3Å; C55-V59 WeakPolarHBondContact O-CB 3.41Å; C55-V59 PolarHBondContact O-N 3.23Å; C55-S60 PolarHBondContact O-N 2.91Å; C55-C63 HydrophobicContact CB-CB 3.79Å; C55-C63 WeakPolarHBondContact CB-SG 3.05Å; C55-C63 WeakPolarHBondContact SG-CB 3.27Å; C55-C63 CovalentContact SG-SG 2.01Å; C55-C63 PolarHBondContact SG-SG 2.92Å; C55-L81 HydrophobicContact CB-CD2 4.37Å |
| 56 | Q | 91 | Very high | 90.3 | Very high | 83 Ų | 83 | 52 Ų | 52 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 178.1 | -72.5 | 175.9 | -5.3 | 0 | 0 | 113.3 | T52 T53 S60 C63 | T52-Q56 WeakPolarHBondContact O-CB 3.24Å; T52-Q56 WeakPolarHBondContact O-CG 3.38Å; T52-Q56 PolarHBondContact O-N 2.88Å; T53-Q56 PolarHBondContact O-N 2.93Å; Q56-S60 VanDerWaalsContact CA-O 3.3Å; Q56-S60 WeakPolarHBondContact CA-O 3.2Å; Q56-C63 WeakPolarHBondContact CG-O 3.07Å; Q56-C63 PolarHBondContact NE2-O 3.49Å |
| 57 | E | 90.1 | Very high | 90.3 | Very high | 124 Ų | 124 | 52.7 Ų | 52.7 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.7 | -43 | 179 | -171.3 | 178 | -178.4 | 0 | 0 | 112.5 | T53 K54 C55 | T53-E57 WeakPolarHBondContact O-CB 3.25Å; T53-E57 PolarHBondContact O-N 3.13Å; K54-E57 VanDerWaalsContact CD-OE2 3.32Å; K54-E57 WeakPolarHBondContact CD-OE2 3.2Å; K54-E57 IonicContact NZ-OE2 2.67Å; K54-E57 PolarHBondContact NZ-OE2 3.34Å; K54-E57 PolarHBondContact O-N 3.44Å; C55-E57 VanDerWaalsContact C-N 3.34Å |
| 58 | L | 87.3 | Confident | 90.3 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -111.7 | -22.5 | -166.1 | -67.4 | 168 | 0 | 0 | 0 | 115.2 | K54 Q90 L93 A94 E97 | K54-L58 WeakPolarHBondContact O-CB 3.28Å; K54-L58 PolarHBondContact O-N 2.83Å; L58-Q90 WeakPolarHBondContact O-CB 3.38Å; L58-Q90 PolarHBondContact O-OE1 3.32Å; L58-L93 HydrophobicContact CD1-CG 4.33Å; L58-L93 HydrophobicContact CD2-CD2 4.19Å; L58-A94 HydrophobicContact CB-CB 3.96Å; L58-A94 HydrophobicContact CD1-CB 4.2Å; L58-E97 HydrophobicContact CD1-CB 3.98Å; L58-E97 HydrophobicContact CD1-CG 4.43Å |
| 59 | V | 87.9 | Confident | 90.3 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -62.3 | -177.8 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | C55 Q90 V91 A94 | C55-V59 WeakPolarHBondContact O-CA 3.22Å; C55-V59 VanDerWaalsContact O-CB 3.3Å; C55-V59 WeakPolarHBondContact O-CB 3.41Å; C55-V59 PolarHBondContact O-N 3.23Å; V59-Q90 HydrophobicContact CG2-CB 4.47Å; V59-Q90 PolarHBondContact O-OE1 3.49Å; V59-V91 HydrophobicContact CG1-CG2 3.91Å; V59-V91 HydrophobicContact CG2-CB 4.44Å; V59-V91 HydrophobicContact CG2-CG2 3.9Å; V59-A94 HydrophobicContact CG2-CB 3.84Å |
| 60 | S | 88.7 | Confident | 90.3 | Very high | 18 Ų | 18 | 50 Ų | 50 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | trans | -167 | 149.8 | 174.9 | 76.4 | 0 | 0 | 0 | 0 | 111.4 | C55 Q56 D62 C63 S83 | C55-S60 PolarHBondContact O-N 2.91Å; Q56-S60 VanDerWaalsContact CA-O 3.3Å; Q56-S60 WeakPolarHBondContact CA-O 3.2Å; S60-D62 WeakPolarHBondContact CB-OD1 3.46Å; S60-D62 PolarHBondContact O-N 2.76Å; S60-D62 VanDerWaalsContact O-N 3.11Å; S60-D62 PolarHBondContact OG-OD1 2.95Å; S60-C63 VanDerWaalsContact O-CB 3.29Å; S60-C63 WeakPolarHBondContact O-CB 3.33Å; S60-C63 PolarHBondContact O-N 2.94Å; S60-C63 PolarHBondContact OG-N 3.46Å; S60-S83 PolarHBondContact OG-OG 3.2Å | ||
| 61 | K | 88.3 | Confident | 90.3 | Very high | 196 Ų | 196 | 55.4 Ų | 55.4 | 85% | 0.852 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.5 | 179.7 | -71.4 | -170.5 | 177 | -176.8 | 0 | 114 | ||
| 62 | D | 89 | Confident | 89.9 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 4.3 | 178.2 | 67.8 | -52.3 | 0 | 0 | 0 | 113.6 | S60 T64 S84 | S60-D62 WeakPolarHBondContact CB-OD1 3.46Å; S60-D62 PolarHBondContact O-N 2.76Å; S60-D62 VanDerWaalsContact O-N 3.11Å; S60-D62 PolarHBondContact OG-OD1 2.95Å; D62-T64 PolarHBondContact O-N 2.01Å; D62-S84 PolarHBondContact OD1-OG 3.49Å; D62-S84 WeakPolarHBondContact OD2-CB 3.32Å; D62-S84 PolarHBondContact OD2-N 3.04Å; D62-S84 PolarHBondContact OD2-OG 3.05Å |
| 63 | C | 89.1 | Confident | 89 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -64 | 130.7 | 178.1 | -175.4 | 0 | 0 | 0 | 0 | 112 | C55 Q56 S60 I82 | C55-C63 HydrophobicContact CB-CB 3.79Å; C55-C63 WeakPolarHBondContact CB-SG 3.05Å; C55-C63 WeakPolarHBondContact SG-CB 3.27Å; C55-C63 CovalentContact SG-SG 2.01Å; C55-C63 PolarHBondContact SG-SG 2.92Å; Q56-C63 WeakPolarHBondContact CG-O 3.07Å; Q56-C63 PolarHBondContact NE2-O 3.49Å; S60-C63 VanDerWaalsContact O-CB 3.29Å; S60-C63 WeakPolarHBondContact O-CB 3.33Å; S60-C63 PolarHBondContact O-N 2.94Å; S60-C63 PolarHBondContact OG-N 3.46Å; C63-I82 WeakPolarHBondContact CA-O 3.5Å | ||
| 64 | T | 89.6 | Confident | 88.1 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.5 | -179.9 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | D62 L81 I82 | D62-T64 PolarHBondContact O-N 2.01Å; T64-L81 CarbonylContact O-C 3.54Å; T64-L81 WeakPolarHBondContact O-CA 3.46Å; T64-I82 PolarHBondContact N-O 3.07Å; T64-I82 PolarHBondContact O-N 3.11Å |
| 65 | V | 90.6 | Very high | 87.9 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 113.3 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | I51 T52 L68 T80 L81 | I51-V65 HydrophobicContact CB-CG2 4.01Å; I51-V65 HydrophobicContact CG2-CG2 3.42Å; I51-V65 VanDerWaalsContact CG2-CG2 3.42Å; T52-V65 WeakPolarHBondContact OG1-CG2 3.25Å; V65-L68 HydrophobicContact CG1-CB 4.4Å; V65-T80 CarbonylContact C-O 3.54Å; V65-L81 HydrophobicContact CG2-CD2 4.03Å |
| 66 | K | 90.4 | Very high | 87.9 | Confident | 130 Ų | 130 | 64.4 Ų | 64.4 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -42.6 | 175.9 | -173.5 | -175.3 | -172.7 | 176.6 | 0 | 112.1 | T80 I82 | K66-T80 HydrophobicContact CB-CG2 4.17Å; K66-T80 WeakPolarHBondContact CB-O 3.22Å; K66-T80 HydrophobicContact CD-CG2 3.95Å; K66-T80 PolarHBondContact N-O 2.61Å; K66-I82 HydrophobicContact CB-CD1 3.76Å; K66-I82 HydrophobicContact CB-CG1 3.98Å; K66-I82 HydrophobicContact CD-CD1 3.84Å; K66-I82 HydrophobicContact CD-CG1 4.17Å; K66-I82 HydrophobicContact CG-CD1 3.77Å; K66-I82 HydrophobicContact CG-CG1 4.36Å |
| 67 | S | 91.3 | Very high | 87.9 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147.5 | -179.1 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | Y79 T80 | S67-Y79 CarbonylContact O-C 3.58Å; S67-Y79 WeakPolarHBondContact O-CA 3.33Å; S67-T80 PolarHBondContact N-O 3.22Å; S67-T80 PolarHBondContact O-N 3.05Å; S67-T80 WeakPolarHBondContact OG-CB 3.48Å; S67-T80 PolarHBondContact OG-OG1 2.84Å |
| 68 | L | 92.2 | Very high | 87.9 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 124.1 | 170.3 | 169.6 | 64.5 | 0 | 0 | 0 | 107 | Y44 I47 H48 I51 V65 A77 D78 | Y44-L68 HydrophobicContact CD1-CD2 4.45Å; Y44-L68 HydrophobicContact CD2-CD2 4.09Å; Y44-L68 HydrophobicContact CD2-CG 4.47Å; Y44-L68 HydrophobicContact CE1-CD2 4.23Å; Y44-L68 HydrophobicContact CE2-CB 4.19Å; Y44-L68 HydrophobicContact CE2-CD2 3.88Å; Y44-L68 HydrophobicContact CE2-CG 3.97Å; Y44-L68 HydrophobicContact CG-CD2 4.38Å; I47-L68 HydrophobicContact CB-CD2 4.14Å; I47-L68 HydrophobicContact CG2-CD1 3.84Å; I47-L68 HydrophobicContact CG2-CD2 3.66Å; I47-L68 HydrophobicContact CG2-CG 4.42Å; H48-L68 HydrophobicContact CB-CD2 4.1Å; I51-L68 HydrophobicContact CD1-CD1 4.05Å; I51-L68 HydrophobicContact CD1-CD2 4.38Å; V65-L68 HydrophobicContact CG1-CB 4.4Å; L68-A77 HydrophobicContact CD1-CB 4.19Å; L68-D78 CarbonylContact C-O 3.52Å; L68-D78 WeakPolarHBondContact CA-O 3.46Å |
| 69 | T | 91.5 | Very high | 88.1 | Confident | 75 Ų | 75 | 55 Ų | 55 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.4 | 177.8 | -48.8 | 0 | 0 | 0 | 0 | 109.4 | D78 | T69-D78 PolarHBondContact N-O 3.38Å; T69-D78 PolarHBondContact O-N 3.39Å |
| 70 | L | 91.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.9 | 176 | -66.6 | 142.7 | 0 | 0 | 0 | 108.8 | F32 Y36 N37 Y44 I47 T75 I76 A77 | F32-L70 HydrophobicContact CD2-CB 4.47Å; F32-L70 VanDerWaalsContact CE2-C 3.49Å; F32-L70 HydrophobicContact CE2-CB 3.97Å; F32-L70 VanDerWaalsContact CE2-O 3.23Å; F32-L70 WeakPolarHBondContact CE2-O 3.39Å; Y36-L70 VanDerWaalsContact O-CD1 3.23Å; Y36-L70 WeakPolarHBondContact O-CD1 3.3Å; N37-L70 PolarHBondContact ND2-O 2.89Å; N37-L70 PolarHBondContact OD1-N 3.48Å; N37-L70 PolarHBondContact OD1-O 2.75Å; Y44-L70 HydrophobicContact CD2-CD1 4.28Å; I47-L70 HydrophobicContact CD1-CD1 4.38Å; I47-L70 HydrophobicContact CD1-CD2 3.76Å; L70-T75 HydrophobicContact CD2-CG2 3.54Å; L70-I76 CarbonylContact C-O 3.53Å; L70-I76 VanDerWaalsContact CA-O 3.27Å; L70-I76 WeakPolarHBondContact CA-O 3.34Å; L70-A77 HydrophobicContact CD2-CB 3.79Å |
| 71 | R | 91.8 | Very high | 88.4 | Confident | 114 Ų | 114 | 55 Ų | 55 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 164.6 | -177.9 | 62.9 | 177.8 | 172.2 | 91.3 | 0.9 | 113.2 | I76 D78 | R71-I76 HydrophobicContact CG-CB 4.02Å; R71-I76 PolarHBondContact N-O 3.02Å; R71-I76 PolarHBondContact O-N 3.5Å; R71-D78 VanDerWaalsContact CD-OD2 3.31Å; R71-D78 WeakPolarHBondContact CD-OD2 3.29Å; R71-D78 IonicContact CZ-OD2 3.87Å; R71-D78 IonicContact NE-OD1 3.8Å; R71-D78 IonicContact NE-OD2 3.97Å; R71-D78 PolarHBondContact NE-OD2 2.91Å; R71-D78 IonicContact NH2-OD1 3.64Å; R71-D78 IonicContact NH2-OD2 3.6Å |
| 72 | R | 83.9 | Confident | 88.4 | Confident | 198 Ų | 198 | 48.1 Ų | 48.1 | 75% | 0.747 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 140.6 | 178.8 | -72.8 | -176.2 | -177.8 | -164.9 | 1.1 | 111.9 | F32 | F32-R72 HydrophobicContact CD1-CB 4.33Å; F32-R72 HydrophobicContact CD1-CG 3.4Å; F32-R72 VanDerWaalsContact CD1-CG 3.4Å; F32-R72 HydrophobicContact CE1-CG 3.8Å; F32-R72 HydrophobicContact CG-CG 4.15Å |
| 73 | G | 71.7 | Confident | 88.4 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 46% | 0.464 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 143.4 | -166.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | T75 | G73-T75 PolarHBondContact O-N 3.49Å; G73-T75 VanDerWaalsContact O-N 3.12Å |
| 74 | S | 72 | Confident | 88.1 | Confident | 51 Ų | 51 | 47.2 Ų | 47.2 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 109.5 | 147.3 | -73.5 | 0 | 0 | 0 | 0 | 105.5 | T27 L28 N29 I76 | T27-S74 WeakPolarHBondContact CG2-O 3.47Å; L28-S74 CarbonylContact O-C 3.56Å; L28-S74 WeakPolarHBondContact O-CB 3.3Å; N29-S74 PolarHBondContact OD1-OG 2.72Å; S74-I76 WeakPolarHBondContact O-CG1 3.11Å; S74-I76 PolarHBondContact O-N 2.95Å |
| 75 | T | 88.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -22.6 | 101.3 | -167.4 | -65.5 | 0 | 0 | 0 | 0 | 114.1 | L28 M30 D31 F32 Y36 L70 G73 | L28-T75 HydrophobicContact CB-CG2 4.47Å; L28-T75 HydrophobicContact CD1-CG2 4.37Å; L28-T75 PolarHBondContact N-O 2.9Å; L28-T75 PolarHBondContact O-N 2.96Å; M30-T75 PolarHBondContact O-N 2.99Å; M30-T75 PolarHBondContact O-OG1 2.58Å; D31-T75 PolarHBondContact O-OG1 3.24Å; F32-T75 VanDerWaalsContact CA-OG1 3.27Å; F32-T75 WeakPolarHBondContact CA-OG1 3.27Å; F32-T75 HydrophobicContact CD2-CG2 4.48Å; F32-T75 PolarHBondContact N-OG1 2.95Å; Y36-T75 HydrophobicContact CD2-CG2 4.19Å; L70-T75 HydrophobicContact CD2-CG2 3.54Å; G73-T75 PolarHBondContact O-N 3.49Å; G73-T75 VanDerWaalsContact O-N 3.12Å |
| 76 | I | 88.4 | Confident | 86.8 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 14% | 0.138 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.8 | -174.5 | -54.7 | 176 | 0 | 0 | 0 | 109.2 | T25 L70 R71 S74 | T25-I76 VanDerWaalsContact OG1-CG2 3.31Å; T25-I76 WeakPolarHBondContact OG1-CG2 3.44Å; L70-I76 CarbonylContact C-O 3.53Å; L70-I76 VanDerWaalsContact CA-O 3.27Å; L70-I76 WeakPolarHBondContact CA-O 3.34Å; R71-I76 HydrophobicContact CG-CB 4.02Å; R71-I76 PolarHBondContact N-O 3.02Å; R71-I76 PolarHBondContact O-N 3.5Å; S74-I76 WeakPolarHBondContact O-CG1 3.11Å; S74-I76 PolarHBondContact O-N 2.95Å |
| 77 | A | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 109.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T25 F26 L68 L70 | T25-A77 VanDerWaalsContact CA-O 3.28Å; T25-A77 WeakPolarHBondContact CA-O 3.43Å; T25-A77 PolarHBondContact OG1-O 2.89Å; F26-A77 HydrophobicContact CD1-CB 3.92Å; F26-A77 HydrophobicContact CD2-CB 4.29Å; F26-A77 HydrophobicContact CE1-CB 3.49Å; F26-A77 VanDerWaalsContact CE1-CB 3.49Å; F26-A77 HydrophobicContact CE2-CB 3.89Å; F26-A77 HydrophobicContact CG-CB 4.3Å; F26-A77 HydrophobicContact CZ-CB 3.48Å; F26-A77 VanDerWaalsContact CZ-CB 3.48Å; F26-A77 PolarHBondContact N-O 3.12Å; F26-A77 VanDerWaalsContact N-O 3.13Å; F26-A77 PolarHBondContact O-N 3.45Å; L68-A77 HydrophobicContact CD1-CB 4.19Å; L70-A77 HydrophobicContact CD2-CB 3.79Å |
| 78 | D | 91.3 | Very high | 86 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.9 | 172.8 | -62.3 | -44.3 | 0 | 0 | 0 | 109.4 | T25 L68 T69 R71 | T25-D78 VanDerWaalsContact CB-OD1 3.25Å; T25-D78 WeakPolarHBondContact CB-OD1 3.44Å; T25-D78 PolarHBondContact OG1-OD1 3.21Å; L68-D78 CarbonylContact C-O 3.52Å; L68-D78 WeakPolarHBondContact CA-O 3.46Å; T69-D78 PolarHBondContact N-O 3.38Å; T69-D78 PolarHBondContact O-N 3.39Å; R71-D78 VanDerWaalsContact CD-OD2 3.31Å; R71-D78 WeakPolarHBondContact CD-OD2 3.29Å; R71-D78 IonicContact CZ-OD2 3.87Å; R71-D78 IonicContact NE-OD1 3.8Å; R71-D78 IonicContact NE-OD2 3.97Å; R71-D78 PolarHBondContact NE-OD2 2.91Å; R71-D78 IonicContact NH2-OD1 3.64Å; R71-D78 IonicContact NH2-OD2 3.6Å |
| 79 | Y | 91.9 | Very high | 85.5 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 150.8 | -178 | 70.2 | -78.1 | 0 | 0 | 0 | 112.9 | S23 R24 F26 I51 S67 L81 | S23-Y79 WeakPolarHBondContact CA-O 3.31Å; R24-Y79 HydrophobicContact CB-CD1 4.18Å; R24-Y79 HydrophobicContact CB-CE1 3.45Å; R24-Y79 VanDerWaalsContact CB-CE1 3.45Å; R24-Y79 HydrophobicContact CB-CE2 3.91Å; R24-Y79 WeakPolarHBondContact CB-OH 3.33Å; R24-Y79 PolarHBondContact N-O 2.87Å; R24-Y79 WeakPolarHBondContact O-CD1 3.26Å; R24-Y79 PolarHBondContact O-N 2.98Å; F26-Y79 HydrophobicContact CD1-CD1 4.12Å; F26-Y79 AromaticContact CD1-CE1 3.78Å; F26-Y79 HydrophobicContact CD1-CE1 3.78Å; F26-Y79 HydrophobicContact CE1-CD1 4.19Å; F26-Y79 HydrophobicContact CE1-CE1 4.16Å; I51-Y79 HydrophobicContact CD1-CD1 4.29Å; I51-Y79 HydrophobicContact CD1-CD2 4.04Å; I51-Y79 HydrophobicContact CD1-CG 3.84Å; I51-Y79 HydrophobicContact CG1-CD2 4.3Å; I51-Y79 HydrophobicContact CG1-CE2 4.46Å; I51-Y79 HydrophobicContact CG1-CG 4.49Å; I51-Y79 HydrophobicContact CG2-CD2 3.78Å; I51-Y79 HydrophobicContact CG2-CE2 3.92Å; S67-Y79 CarbonylContact O-C 3.58Å; S67-Y79 WeakPolarHBondContact O-CA 3.33Å; Y79-L81 HydrophobicContact CD2-CD1 4.47Å; Y79-L81 HydrophobicContact CD2-CD2 4.05Å; Y79-L81 HydrophobicContact CD2-CG 4Å; Y79-L81 HydrophobicContact CE2-CD1 3.92Å; Y79-L81 HydrophobicContact CE2-CD2 4.19Å; Y79-L81 HydrophobicContact CE2-CG 3.95Å |
| 80 | T | 90.9 | Very high | 85.2 | Confident | 22 Ų | 22 | 55 Ų | 55 | 14% | 0.135 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.7 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | V21 I22 S23 V65 K66 S67 | V21-T80 HydrophobicContact CG1-CG2 3.5Å; I22-T80 CarbonylContact O-C 3.57Å; I22-T80 WeakPolarHBondContact O-CA 3.34Å; S23-T80 PolarHBondContact OG-OG1 2.74Å; V65-T80 CarbonylContact C-O 3.54Å; K66-T80 HydrophobicContact CB-CG2 4.17Å; K66-T80 WeakPolarHBondContact CB-O 3.22Å; K66-T80 HydrophobicContact CD-CG2 3.95Å; K66-T80 PolarHBondContact N-O 2.61Å; S67-T80 PolarHBondContact N-O 3.22Å; S67-T80 PolarHBondContact O-N 3.05Å; S67-T80 WeakPolarHBondContact OG-CB 3.48Å; S67-T80 PolarHBondContact OG-OG1 2.84Å |
| 81 | L | 91.1 | Very high | 84.9 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.5 | 179.1 | -60.1 | 173.1 | 0 | 0 | 0 | 110.7 | V21 I22 I51 C55 T64 V65 Y79 V91 | V21-L81 WeakPolarHBondContact CA-O 3.48Å; I22-L81 PolarHBondContact N-O 3.04Å; I22-L81 PolarHBondContact O-N 3.09Å; I51-L81 HydrophobicContact CG2-CD2 3.57Å; C55-L81 HydrophobicContact CB-CD2 4.37Å; T64-L81 CarbonylContact O-C 3.54Å; T64-L81 WeakPolarHBondContact O-CA 3.46Å; V65-L81 HydrophobicContact CG2-CD2 4.03Å; Y79-L81 HydrophobicContact CD2-CD1 4.47Å; Y79-L81 HydrophobicContact CD2-CD2 4.05Å; Y79-L81 HydrophobicContact CD2-CG 4Å; Y79-L81 HydrophobicContact CE2-CD1 3.92Å; Y79-L81 HydrophobicContact CE2-CD2 4.19Å; Y79-L81 HydrophobicContact CE2-CG 3.95Å; L81-V91 HydrophobicContact CD1-CG1 4.42Å |
| 82 | I | 88.9 | Confident | 84.5 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.2 | 166.9 | -63.1 | 165.6 | 0 | 0 | 0 | 107.7 | A19 S20 V21 C63 T64 K66 | A19-I82 HydrophobicContact CB-CG2 3.97Å; S20-I82 WeakPolarHBondContact O-CA 3.25Å; V21-I82 HydrophobicContact CG2-CG1 4.4Å; C63-I82 WeakPolarHBondContact CA-O 3.5Å; T64-I82 PolarHBondContact N-O 3.07Å; T64-I82 PolarHBondContact O-N 3.11Å; K66-I82 HydrophobicContact CB-CD1 3.76Å; K66-I82 HydrophobicContact CB-CG1 3.98Å; K66-I82 HydrophobicContact CD-CD1 3.84Å; K66-I82 HydrophobicContact CD-CG1 4.17Å; K66-I82 HydrophobicContact CG-CD1 3.77Å; K66-I82 HydrophobicContact CG-CG1 4.36Å |
| 83 | S | 87.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 146.1 | -176.4 | 164.4 | 0 | 0 | 0 | 0 | 111.4 | S20 S60 S85 | S20-S83 PolarHBondContact N-O 3.13Å; S20-S83 PolarHBondContact O-N 2.69Å; S20-S83 VanDerWaalsContact O-N 3.11Å; S20-S83 PolarHBondContact OG-O 3.31Å; S60-S83 PolarHBondContact OG-OG 3.2Å; S83-S85 WeakPolarHBondContact CB-O 3.44Å; S83-S85 PolarHBondContact O-N 2.91Å; S83-S85 PolarHBondContact OG-N 2.93Å; S83-S85 PolarHBondContact OG-O 3.36Å |
| 84 | S | 83.3 | Confident | 85.1 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 42% | 0.42 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -65.7 | -21 | 168.5 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | D62 | D62-S84 PolarHBondContact OD1-OG 3.49Å; D62-S84 WeakPolarHBondContact OD2-CB 3.32Å; D62-S84 PolarHBondContact OD2-N 3.04Å; D62-S84 PolarHBondContact OD2-OG 3.05Å |
| 85 | S | 78.3 | Confident | 85.8 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | trans | -106.3 | 128.3 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | S20 S83 | S20-S85 PolarHBondContact OG-O 3.07Å; S20-S85 VanDerWaalsContact OG-O 3.1Å; S83-S85 WeakPolarHBondContact CB-O 3.44Å; S83-S85 PolarHBondContact O-N 2.91Å; S83-S85 PolarHBondContact OG-N 2.93Å; S83-S85 PolarHBondContact OG-O 3.36Å | ||
| 86 | G | 74.9 | Confident | 85.5 | Confident | 42 Ų | 42 | 45.6 Ų | 45.6 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | trans | -107.4 | 21.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | S20 E88 | S20-G86 WeakPolarHBondContact OG-CA 3.19Å; G86-E88 PolarHBondContact O-N 2.92Å | ||
| 87 | D | 83.6 | Confident | 85.4 | Confident | 71 Ų | 71 | 47.9 Ų | 47.9 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | trans | -66.5 | 103.9 | -180 | -173.9 | -12.2 | 0 | 0 | 0 | 110.7 | K89 Q90 V91 | D87-K89 PolarHBondContact O-N 3.08Å; D87-K89 WeakPolarHBondContact OD1-CB 3.45Å; D87-K89 PolarHBondContact OD1-N 3.42Å; D87-Q90 HydrophobicContact CB-CB 4.19Å; D87-Q90 HydrophobicContact CB-CG 4.2Å; D87-Q90 PolarHBondContact O-N 3.47Å; D87-Q90 VanDerWaalsContact O-N 3.13Å; D87-V91 VanDerWaalsContact O-CG2 3.28Å; D87-V91 WeakPolarHBondContact O-CG2 3.43Å; D87-V91 PolarHBondContact O-N 3.21Å; D87-V91 VanDerWaalsContact O-N 3.08Å | ||
| 88 | E | 81.8 | Confident | 85.3 | Confident | 127 Ų | 127 | 48 Ų | 48 | 59% | 0.593 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.7 | -32.6 | -179 | -68.2 | -163 | 142 | 0 | 0 | 113 | G86 Q90 V91 D92 | G86-E88 PolarHBondContact O-N 2.92Å; E88-Q90 PolarHBondContact O-N 3.49Å; E88-V91 PolarHBondContact O-N 3.31Å; E88-D92 WeakPolarHBondContact O-CB 3.38Å; E88-D92 VanDerWaalsContact O-CG 3.24Å; E88-D92 PolarHBondContact O-N 2.92Å |
| 89 | K | 81.6 | Confident | 85.1 | Confident | 173 Ų | 173 | 45.6 Ų | 45.6 | 75% | 0.752 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.4 | -39 | 179.3 | -66.7 | -176.3 | 179.1 | 179.4 | 0 | 111.7 | D87 L93 | D87-K89 PolarHBondContact O-N 3.08Å; D87-K89 WeakPolarHBondContact OD1-CB 3.45Å; D87-K89 PolarHBondContact OD1-N 3.42Å; K89-L93 WeakPolarHBondContact O-CB 3.28Å; K89-L93 PolarHBondContact O-N 2.71Å |
| 90 | Q | 84.6 | Confident | 84.7 | Confident | 72 Ų | 72 | 46 Ų | 46 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.1 | -37.1 | 176.3 | -73.2 | -171.5 | -25 | 0 | 0 | 111.5 | L58 V59 D87 E88 L93 A94 | L58-Q90 WeakPolarHBondContact O-CB 3.38Å; L58-Q90 PolarHBondContact O-OE1 3.32Å; V59-Q90 HydrophobicContact CG2-CB 4.47Å; V59-Q90 PolarHBondContact O-OE1 3.49Å; D87-Q90 HydrophobicContact CB-CB 4.19Å; D87-Q90 HydrophobicContact CB-CG 4.2Å; D87-Q90 PolarHBondContact O-N 3.47Å; D87-Q90 VanDerWaalsContact O-N 3.13Å; E88-Q90 PolarHBondContact O-N 3.49Å; Q90-L93 PolarHBondContact O-N 2.97Å; Q90-A94 VanDerWaalsContact O-CB 3.32Å; Q90-A94 WeakPolarHBondContact O-CB 3.46Å; Q90-A94 PolarHBondContact O-N 2.92Å |
| 91 | V | 85.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66 | -40.3 | 177.2 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | I22 R24 V59 L81 D87 E88 A94 K95 | I22-V91 HydrophobicContact CD1-CG2 3.64Å; I22-V91 HydrophobicContact CG2-CG1 4.11Å; R24-V91 HydrophobicContact CG-CG1 4.43Å; V59-V91 HydrophobicContact CG1-CG2 3.91Å; V59-V91 HydrophobicContact CG2-CB 4.44Å; V59-V91 HydrophobicContact CG2-CG2 3.9Å; L81-V91 HydrophobicContact CD1-CG1 4.42Å; D87-V91 VanDerWaalsContact O-CG2 3.28Å; D87-V91 WeakPolarHBondContact O-CG2 3.43Å; D87-V91 PolarHBondContact O-N 3.21Å; D87-V91 VanDerWaalsContact O-N 3.08Å; E88-V91 PolarHBondContact O-N 3.31Å; V91-A94 PolarHBondContact O-N 3.13Å; V91-K95 WeakPolarHBondContact O-CB 3.42Å; V91-K95 PolarHBondContact O-N 3.01Å |
| 92 | D | 82.6 | Confident | 84.4 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | -38.8 | 177.1 | -70.1 | -13.2 | 0 | 0 | 0 | 111.5 | R24 E88 A94 K95 D96 V113 | R24-D92 IonicContact CZ-OD1 3.87Å; R24-D92 IonicContact NE-OD1 2.73Å; R24-D92 PolarHBondContact NE-OD1 3.45Å; R24-D92 IonicContact NH2-OD1 3.05Å; R24-D92 PolarHBondContact NH2-OD1 2.84Å; E88-D92 WeakPolarHBondContact O-CB 3.38Å; E88-D92 VanDerWaalsContact O-CG 3.24Å; E88-D92 PolarHBondContact O-N 2.92Å; D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 PolarHBondContact O-N 2.94Å; D92-K95 WeakPolarHBondContact O-CB 3.27Å; D92-K95 PolarHBondContact O-N 2.88Å; D92-D96 PolarHBondContact O-N 3.1Å; D92-V113 HydrophobicContact CB-CG2 4.21Å |
| 93 | L | 83.3 | Confident | 84.2 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 170.7 | -175.3 | 66.2 | 0 | 0 | 0 | 112 | L58 K89 Q90 K95 D96 E97 | L58-L93 HydrophobicContact CD1-CG 4.33Å; L58-L93 HydrophobicContact CD2-CD2 4.19Å; K89-L93 WeakPolarHBondContact O-CB 3.28Å; K89-L93 PolarHBondContact O-N 2.71Å; Q90-L93 PolarHBondContact O-N 2.97Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-D96 PolarHBondContact O-N 2.98Å; L93-E97 PolarHBondContact O-N 3.3Å |
| 94 | A | 85.6 | Confident | 84 | Confident | 7 Ų | 7 | 49 Ų | 49 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L58 V59 Q90 V91 D92 M98 | L58-A94 HydrophobicContact CB-CB 3.96Å; L58-A94 HydrophobicContact CD1-CB 4.2Å; V59-A94 HydrophobicContact CG2-CB 3.84Å; Q90-A94 VanDerWaalsContact O-CB 3.32Å; Q90-A94 WeakPolarHBondContact O-CB 3.46Å; Q90-A94 PolarHBondContact O-N 2.92Å; V91-A94 PolarHBondContact O-N 3.13Å; D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 PolarHBondContact O-N 2.94Å; A94-M98 VanDerWaalsContact O-CB 3.22Å; A94-M98 WeakPolarHBondContact O-CB 3.37Å; A94-M98 PolarHBondContact O-N 2.95Å |
| 95 | K | 86.9 | Confident | 84.1 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 21% | 0.213 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 172.9 | -177.8 | -172.8 | 177.3 | -172.6 | 0 | 110.9 | T25 V91 D92 L93 E97 M98 L99 | T25-K95 WeakPolarHBondContact O-CE 3.17Å; T25-K95 PolarHBondContact O-NZ 3.32Å; V91-K95 WeakPolarHBondContact O-CB 3.42Å; V91-K95 PolarHBondContact O-N 3.01Å; D92-K95 WeakPolarHBondContact O-CB 3.27Å; D92-K95 PolarHBondContact O-N 2.88Å; L93-K95 VanDerWaalsContact C-N 3.33Å; K95-E97 PolarHBondContact O-N 3.46Å; K95-M98 HydrophobicContact CG-CE 4.15Å; K95-M98 WeakPolarHBondContact O-CB 3.44Å; K95-M98 PolarHBondContact O-N 3.25Å; K95-L99 HydrophobicContact CG-CD1 4.14Å; K95-L99 VanDerWaalsContact O-CG 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.27Å; K95-L99 PolarHBondContact O-N 3.34Å |
| 96 | D | 82.9 | Confident | 84.6 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 179.7 | -79.5 | 1.6 | 0 | 0 | 0 | 111.6 | D92 L93 L99 N100 F110 | D92-D96 PolarHBondContact O-N 3.1Å; L93-D96 PolarHBondContact O-N 2.98Å; D96-L99 PolarHBondContact O-N 3.18Å; D96-N100 PolarHBondContact O-N 3.49Å; D96-F110 HydrophobicContact CB-CE2 4.04Å; D96-F110 HydrophobicContact CB-CZ 3.82Å; D96-F110 WeakPolarHBondContact O-CE2 3.44Å |
| 97 | E | 86.1 | Confident | 85.1 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.2 | -34.6 | -179.6 | -166.4 | 58.7 | -156.4 | 0 | 0 | 112.6 | K54 L58 L93 K95 N100 Q101 | K54-E97 HydrophobicContact CD-CB 4.24Å; K54-E97 HydrophobicContact CD-CG 3.76Å; K54-E97 HydrophobicContact CG-CG 4.47Å; L58-E97 HydrophobicContact CD1-CB 3.98Å; L58-E97 HydrophobicContact CD1-CG 4.43Å; L93-E97 PolarHBondContact O-N 3.3Å; K95-E97 PolarHBondContact O-N 3.46Å; E97-N100 WeakPolarHBondContact O-CB 3.42Å; E97-N100 PolarHBondContact O-N 2.94Å; E97-Q101 PolarHBondContact O-N 3.03Å |
| 98 | M | 88.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 171.1 | 172.1 | -158.1 | 75.7 | 0 | 0 | 111.3 | F26 A50 I51 K54 A94 K95 N100 Q101 L102 | F26-M98 HydrophobicContact CD1-CE 3.65Å; F26-M98 HydrophobicContact CE1-CE 3.66Å; F26-M98 HydrophobicContact CE1-SD 4.29Å; F26-M98 HydrophobicContact CG-CE 4.27Å; F26-M98 HydrophobicContact CZ-CE 4.3Å; A50-M98 HydrophobicContact CB-CG 3.83Å; I51-M98 HydrophobicContact CB-SD 4.02Å; I51-M98 HydrophobicContact CD1-SD 4.4Å; I51-M98 HydrophobicContact CG1-CG 4.33Å; I51-M98 HydrophobicContact CG1-SD 3.2Å; I51-M98 WeakPolarHBondContact CG1-SD 3.43Å; K54-M98 HydrophobicContact CB-CB 4.16Å; K54-M98 HydrophobicContact CG-CB 4.14Å; A94-M98 VanDerWaalsContact O-CB 3.22Å; A94-M98 WeakPolarHBondContact O-CB 3.37Å; A94-M98 PolarHBondContact O-N 2.95Å; K95-M98 HydrophobicContact CG-CE 4.15Å; K95-M98 WeakPolarHBondContact O-CB 3.44Å; K95-M98 PolarHBondContact O-N 3.25Å; M98-N100 VanDerWaalsContact C-N 3.32Å; M98-N100 PolarHBondContact O-N 3.45Å; M98-Q101 WeakPolarHBondContact O-CB 3.44Å; M98-Q101 PolarHBondContact O-N 3.3Å; M98-L102 HydrophobicContact CG-CD1 4.2Å; M98-L102 WeakPolarHBondContact O-CG 3.32Å; M98-L102 PolarHBondContact O-N 3.3Å |
| 99 | L | 86.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 178.1 | -65.9 | 172.5 | 0 | 0 | 0 | 111.6 | F26 K95 D96 Q101 L102 A103 V108 F110 | F26-L99 HydrophobicContact CB-CD2 3.72Å; F26-L99 HydrophobicContact CD1-CD2 4.26Å; F26-L99 HydrophobicContact CD2-CD2 3.45Å; F26-L99 VanDerWaalsContact CD2-CD2 3.45Å; F26-L99 HydrophobicContact CE2-CD2 4.07Å; F26-L99 HydrophobicContact CG-CD2 3.56Å; K95-L99 HydrophobicContact CG-CD1 4.14Å; K95-L99 VanDerWaalsContact O-CG 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.27Å; K95-L99 PolarHBondContact O-N 3.34Å; D96-L99 PolarHBondContact O-N 3.18Å; L99-Q101 VanDerWaalsContact C-N 3.32Å; L99-Q101 PolarHBondContact O-N 3.03Å; L99-L102 PolarHBondContact O-N 3.47Å; L99-A103 WeakPolarHBondContact O-CB 3.5Å; L99-A103 PolarHBondContact O-N 2.97Å; L99-V108 HydrophobicContact CB-CG1 4.14Å; L99-V108 HydrophobicContact CD2-CG1 3.58Å; L99-V108 HydrophobicContact CG-CG1 4.33Å; L99-F110 HydrophobicContact CB-CD2 3.54Å; L99-F110 HydrophobicContact CB-CE2 3.88Å; L99-F110 HydrophobicContact CD1-CD2 3.81Å; L99-F110 HydrophobicContact CD1-CE2 4.18Å; L99-F110 HydrophobicContact CD1-CG 4.5Å; L99-F110 HydrophobicContact CG-CD2 4.33Å |
| 100 | N | 84.6 | Confident | 85.4 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 171.9 | -176.1 | 32.3 | 0 | 0 | 0 | 111.6 | D96 E97 M98 P139 N141 | D96-N100 PolarHBondContact O-N 3.49Å; E97-N100 WeakPolarHBondContact O-CB 3.42Å; E97-N100 PolarHBondContact O-N 2.94Å; M98-N100 VanDerWaalsContact C-N 3.32Å; M98-N100 PolarHBondContact O-N 3.45Å; N100-P139 HydrophobicContact CB-CB 3.93Å; N100-P139 WeakPolarHBondContact OD1-CB 3.47Å; N100-N141 VanDerWaalsContact O-CB 3.23Å; N100-N141 WeakPolarHBondContact O-CB 3.27Å; N100-N141 PolarHBondContact O-ND2 3.37Å; N100-N141 WeakPolarHBondContact OD1-CB 3.38Å; N100-N141 PolarHBondContact OD1-N 2.81Å |
| 101 | Q | 86.4 | Confident | 85.3 | Confident | 77 Ų | 77 | 37.2 Ų | 37.2 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 174.6 | -177.5 | 177.6 | -16 | 0 | 0 | 112 | E97 M98 L99 A104 | E97-Q101 PolarHBondContact O-N 3.03Å; M98-Q101 WeakPolarHBondContact O-CB 3.44Å; M98-Q101 PolarHBondContact O-N 3.3Å; L99-Q101 VanDerWaalsContact C-N 3.32Å; L99-Q101 PolarHBondContact O-N 3.03Å; Q101-A104 WeakPolarHBondContact O-CB 3.48Å; Q101-A104 PolarHBondContact O-N 2.98Å |
| 102 | L | 87.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -32 | 179.9 | -69.2 | 173.3 | 0 | 0 | 0 | 113 | F26 I47 A50 M98 L99 A104 K105 Y106 V108 | F26-L102 HydrophobicContact CE2-CD1 3.82Å; F26-L102 HydrophobicContact CZ-CD1 3.71Å; I47-L102 HydrophobicContact CG1-CD1 4.34Å; I47-L102 HydrophobicContact CG1-CD2 4.26Å; A50-L102 HydrophobicContact CB-CD1 4.48Å; A50-L102 HydrophobicContact CB-CD2 3.98Å; A50-L102 HydrophobicContact CB-CG 4.05Å; M98-L102 HydrophobicContact CG-CD1 4.2Å; M98-L102 WeakPolarHBondContact O-CG 3.32Å; M98-L102 PolarHBondContact O-N 3.3Å; L99-L102 PolarHBondContact O-N 3.47Å; L102-A104 PolarHBondContact O-N 3.48Å; L102-A104 VanDerWaalsContact O-N 3.1Å; L102-K105 PolarHBondContact O-N 2.77Å; L102-Y106 HydrophobicContact CD2-CD2 4.31Å; L102-Y106 PolarHBondContact O-N 2.91Å; L102-V108 HydrophobicContact CB-CG2 3.83Å |
| 103 | A | 84.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L99 K105 V108 L142 R189 | L99-A103 WeakPolarHBondContact O-CB 3.5Å; L99-A103 PolarHBondContact O-N 2.97Å; A103-K105 VanDerWaalsContact C-N 3.29Å; A103-V108 HydrophobicContact CB-CB 4.5Å; A103-V108 HydrophobicContact CB-CG2 4.21Å; A103-L142 HydrophobicContact CB-CD1 4.2Å; A103-R189 PolarHBondContact O-NH1 2.85Å; A103-R189 PolarHBondContact O-NH2 3.46Å |
| 104 | A | 84.2 | Confident | 84.6 | Confident | 62 Ų | 62 | 43.1 Ų | 43.1 | 51% | 0.512 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -26.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q101 L102 N141 | Q101-A104 WeakPolarHBondContact O-CB 3.48Å; Q101-A104 PolarHBondContact O-N 2.98Å; L102-A104 PolarHBondContact O-N 3.48Å; L102-A104 VanDerWaalsContact O-N 3.1Å; A104-N141 HydrophobicContact CB-CB 4.1Å |
| 105 | K | 86.4 | Confident | 84.6 | Confident | 136 Ų | 136 | 49 Ų | 49 | 59% | 0.591 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -30.2 | -174.2 | -69.9 | -176.2 | 175.6 | -175.6 | 0 | 113.9 | D46 L102 A103 | D46-K105 VanDerWaalsContact CG-NZ 3.28Å; D46-K105 IonicContact OD1-NZ 3.74Å; D46-K105 PolarHBondContact OD1-NZ 3.04Å; D46-K105 WeakPolarHBondContact OD2-CD 3.32Å; D46-K105 IonicContact OD2-NZ 2.67Å; D46-K105 PolarHBondContact OD2-NZ 2.69Å; L102-K105 PolarHBondContact O-N 2.77Å; A103-K105 VanDerWaalsContact C-N 3.29Å |
| 106 | Y | 88.1 | Confident | 84.8 | Confident | 29 Ų | 29 | 47 Ų | 47 | 11% | 0.114 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -130.9 | 152.6 | -171.5 | -57.1 | -74 | 0 | 0 | 0 | 111.1 | M30 V43 D46 L102 V108 | M30-Y106 HydrophobicContact SD-CD1 4.05Å; V43-Y106 HydrophobicContact CG2-CE1 4.04Å; D46-Y106 HydrophobicContact CB-CE2 3.82Å; D46-Y106 WeakPolarHBondContact OD2-CE2 3.43Å; D46-Y106 PolarHBondContact OD2-OH 3.16Å; L102-Y106 HydrophobicContact CD2-CD2 4.31Å; L102-Y106 PolarHBondContact O-N 2.91Å; Y106-V108 PolarHBondContact O-N 2.66Å; Y106-V108 VanDerWaalsContact O-N 3.09Å |
| 107 | P | 84.7 | Confident | 85.2 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 13% | 0.13 | 26% | 0.264 | C | S | . | . | trans | -72.8 | 100.6 | 170.8 | 30.2 | -33.3 | 0 | 0 | 0 | 108.9 | L28 N29 M30 D191 A193 | L28-P107 CarbonylContact C-O 3.56Å; L28-P107 WeakPolarHBondContact CA-O 3.48Å; N29-P107 HydrophobicContact CB-CB 4.3Å; N29-P107 PolarHBondContact N-O 2.84Å; N29-P107 VanDerWaalsContact O-CG 3.27Å; N29-P107 WeakPolarHBondContact O-CG 3.37Å; M30-P107 HydrophobicContact CB-CG 4.16Å; P107-D191 WeakPolarHBondContact CB-O 3.18Å; P107-A193 HydrophobicContact CB-CB 4.42Å | ||
| 108 | V | 86.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 140.8 | -179 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | L28 L99 L102 A103 Y106 A193 I194 | L28-V108 HydrophobicContact CD2-CB 4.39Å; L28-V108 HydrophobicContact CD2-CG2 3.7Å; L99-V108 HydrophobicContact CB-CG1 4.14Å; L99-V108 HydrophobicContact CD2-CG1 3.58Å; L99-V108 HydrophobicContact CG-CG1 4.33Å; L102-V108 HydrophobicContact CB-CG2 3.83Å; A103-V108 HydrophobicContact CB-CB 4.5Å; A103-V108 HydrophobicContact CB-CG2 4.21Å; Y106-V108 PolarHBondContact O-N 2.66Å; Y106-V108 VanDerWaalsContact O-N 3.09Å; V108-A193 WeakPolarHBondContact O-CA 3.41Å; V108-I194 PolarHBondContact O-N 2.83Å |
| 109 | D | 85.1 | Confident | 85.5 | Confident | 49 Ų | 49 | 51 Ų | 51 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 104 | 163.8 | -174.8 | 11 | 0 | 0 | 0 | 109.2 | T27 | T27-D109 HydrophobicContact CG2-CB 4.14Å; T27-D109 PolarHBondContact O-N 2.86Å |
| 110 | F | 82.4 | Confident | 85.5 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 112.9 | -175.8 | -174.5 | -75.1 | 0 | 0 | 0 | 109.3 | D96 L99 S112 P139 I194 F195 T196 | D96-F110 HydrophobicContact CB-CE2 4.04Å; D96-F110 HydrophobicContact CB-CZ 3.82Å; D96-F110 WeakPolarHBondContact O-CE2 3.44Å; L99-F110 HydrophobicContact CB-CD2 3.54Å; L99-F110 HydrophobicContact CB-CE2 3.88Å; L99-F110 HydrophobicContact CD1-CD2 3.81Å; L99-F110 HydrophobicContact CD1-CE2 4.18Å; L99-F110 HydrophobicContact CD1-CG 4.5Å; L99-F110 HydrophobicContact CG-CD2 4.33Å; F110-S112 VanDerWaalsContact CE1-CA 3.49Å; F110-P139 HydrophobicContact CD2-CG 4.26Å; F110-P139 HydrophobicContact CE1-CG 4.44Å; F110-P139 HydrophobicContact CE2-CG 4.04Å; F110-P139 HydrophobicContact CZ-CG 4.14Å; F110-I194 WeakPolarHBondContact CB-O 3.26Å; F110-I194 PolarHBondContact N-O 2.81Å; F110-F195 HydrophobicContact CB-CD2 4.3Å; F110-F195 AromaticContact CD1-CD2 3.14Å; F110-F195 HydrophobicContact CD1-CD2 3.14Å; F110-F195 AromaticContact CD1-CE2 3.44Å; F110-F195 HydrophobicContact CD1-CE2 3.44Å; F110-F195 VanDerWaalsContact CD1-CE2 3.44Å; F110-F195 HydrophobicContact CD1-CG 4.25Å; F110-F195 AromaticContact CE1-CD2 3.57Å; F110-F195 HydrophobicContact CE1-CD2 3.57Å; F110-F195 AromaticContact CE1-CE2 3.34Å; F110-F195 HydrophobicContact CE1-CE2 3.34Å; F110-F195 AromaticContact CG-CD2 3.88Å; F110-F195 HydrophobicContact CG-CD2 3.88Å; F110-F195 HydrophobicContact CG-CE2 4.49Å; F110-F195 HydrophobicContact CZ-CE2 4.33Å; F110-F195 CarbonylContact O-C 3.54Å; F110-F195 WeakPolarHBondContact O-CA 3.27Å; F110-T196 PolarHBondContact O-N 3Å |
| 111 | V | 82.8 | Confident | 85.6 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.9 | 169.2 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | ||
| 112 | S | 79.8 | Confident | 85.3 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 12% | 0.119 | 31% | 0.305 | C | S | . | . | trans | -71.4 | 140.7 | -177.3 | -163.2 | 0 | 0 | 0 | 0 | 111.5 | F110 K114 T196 | F110-S112 VanDerWaalsContact CE1-CA 3.49Å; S112-K114 PolarHBondContact OG-N 2.95Å; S112-K114 VanDerWaalsContact OG-N 3.13Å; S112-T196 PolarHBondContact N-O 3.01Å | ||
| 113 | V | 73.6 | Confident | 84.9 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -74.1 | -21.2 | 166.6 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | D92 E115 | D92-V113 HydrophobicContact CB-CG2 4.21Å; V113-E115 PolarHBondContact O-N 3.09Å |
| 114 | K | 82.3 | Confident | 84.8 | Confident | 151 Ų | 151 | 66 Ų | 66 | 66% | 0.657 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -77.7 | 116.7 | 173.2 | -65.1 | -178.9 | -176.6 | 174.6 | 0 | 109.5 | S112 Q197 | S112-K114 PolarHBondContact OG-N 2.95Å; S112-K114 VanDerWaalsContact OG-N 3.13Å; K114-Q197 WeakPolarHBondContact O-CG 3.27Å; K114-Q197 PolarHBondContact O-NE2 3.4Å |
| 115 | E | 86.4 | Confident | 84.7 | Confident | 129 Ų | 129 | 63.1 Ų | 63.1 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 166.4 | 172.4 | -61.6 | -175.5 | 161.1 | 0 | 0 | 111.9 | V113 S198 L199 | V113-E115 PolarHBondContact O-N 3.09Å; E115-S198 WeakPolarHBondContact CA-O 3.4Å; E115-S198 WeakPolarHBondContact CB-O 3.36Å; E115-L199 HydrophobicContact CB-CD1 4.29Å; E115-L199 WeakPolarHBondContact OE2-CD1 3.41Å |
| 116 | L | 90.9 | Very high | 84.6 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 144.7 | 169.4 | -63.2 | 165.4 | 0 | 0 | 0 | 110.2 | C135 W150 C185 Q197 S198 L199 | L116-C135 HydrophobicContact CD2-CB 3.7Å; L116-W150 HydrophobicContact CD1-CZ3 3.85Å; L116-W150 HydrophobicContact CD2-CH2 3.93Å; L116-W150 HydrophobicContact CD2-CZ3 3.99Å; L116-C185 HydrophobicContact CD2-CB 3.75Å; L116-Q197 HydrophobicContact CD2-CB 3.61Å; L116-Q197 HydrophobicContact CG-CB 4Å; L116-S198 PolarHBondContact N-O 2.52Å; L116-L199 HydrophobicContact CB-CB 3.78Å; L116-L199 HydrophobicContact CB-CD2 4.25Å; L116-L199 HydrophobicContact CD1-CB 3.96Å; L116-L199 HydrophobicContact CG-CB 4.2Å |
| 117 | T | 90.8 | Very high | 84.4 | Confident | 90 Ų | 90 | 59 Ų | 59 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.3 | 172.9 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | L133 T134 | T117-L133 CarbonylContact O-C 3.59Å; T117-L133 WeakPolarHBondContact O-CA 3.42Å; T117-T134 PolarHBondContact N-O 3.43Å; T117-T134 PolarHBondContact O-N 3.46Å |
| 118 | S | 90.6 | Very high | 84.2 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.6 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | V120 | S118-V120 VanDerWaalsContact CB-O 3.23Å; S118-V120 WeakPolarHBondContact CB-O 3.41Å; S118-V120 PolarHBondContact O-N 2.9Å; S118-V120 PolarHBondContact OG-N 3.34Å; S118-V120 PolarHBondContact OG-O 2.78Å |
| 119 | S | 90.3 | Very high | 84.1 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -63.4 | -17.5 | 172 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | T132 | S119-T132 PolarHBondContact N-O 2.91Å; S119-T132 PolarHBondContact OG-N 2.69Å |
| 120 | V | 87.4 | Confident | 84.3 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 28% | 0.279 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -130.4 | 152.8 | -177.9 | -129 | 0 | 0 | 0 | 0 | 110.1 | S118 P122 V129 V131 | S118-V120 VanDerWaalsContact CB-O 3.23Å; S118-V120 WeakPolarHBondContact CB-O 3.41Å; S118-V120 PolarHBondContact O-N 2.9Å; S118-V120 PolarHBondContact OG-N 3.34Å; S118-V120 PolarHBondContact OG-O 2.78Å; V120-P122 VanDerWaalsContact O-CD 3.25Å; V120-P122 WeakPolarHBondContact O-CD 3.49Å; V120-V129 HydrophobicContact CG2-CG2 4.48Å; V120-V131 HydrophobicContact CG2-CB 4.34Å; V120-V131 HydrophobicContact CG2-CG1 4.46Å; V120-V131 HydrophobicContact CG2-CG2 3.77Å |
| 121 | N | 84.9 | Confident | 84.7 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | trans | -64.5 | 117.6 | 177.6 | -179.6 | -12.3 | 0 | 0 | 0 | 110.6 | K123 T124 I125 | N121-K123 PolarHBondContact O-N 2.74Å; N121-K123 PolarHBondContact OD1-N 3.13Å; N121-K123 VanDerWaalsContact OD1-N 3.11Å; N121-T124 WeakPolarHBondContact CB-OG1 3.46Å; N121-T124 PolarHBondContact O-N 2.91Å; N121-T124 VanDerWaalsContact O-N 3.07Å; N121-I125 VanDerWaalsContact O-CG1 3.32Å; N121-I125 WeakPolarHBondContact O-CG1 3.23Å; N121-I125 PolarHBondContact O-N 3.39Å | ||
| 122 | P | 81.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 61 Ų | 61 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.2 | -175.6 | -27.4 | 36.4 | 0 | 0 | 0 | 114.9 | V120 L199 L201 | V120-P122 VanDerWaalsContact O-CD 3.25Å; V120-P122 WeakPolarHBondContact O-CD 3.49Å; P122-L199 HydrophobicContact CB-CD1 4.27Å; P122-L199 HydrophobicContact CG-CD1 4Å; P122-L199 HydrophobicContact CG-CD2 4.04Å; P122-L201 HydrophobicContact CB-CD2 3.93Å; P122-L201 HydrophobicContact CG-CD2 4.32Å |
| 123 | K | 79.6 | Confident | 85.8 | Confident | 169 Ų | 169 | 60.2 Ų | 60.2 | 74% | 0.735 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -9.7 | -177.3 | -62.7 | -174.9 | 180 | -178.6 | 0 | 114 | N121 | N121-K123 PolarHBondContact O-N 2.74Å; N121-K123 PolarHBondContact OD1-N 3.13Å; N121-K123 VanDerWaalsContact OD1-N 3.11Å |
| 124 | T | 81.3 | Confident | 86.7 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -133.7 | 25.8 | -173.2 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | N121 I126 | N121-T124 WeakPolarHBondContact CB-OG1 3.46Å; N121-T124 PolarHBondContact O-N 2.91Å; N121-T124 VanDerWaalsContact O-N 3.07Å; T124-I126 PolarHBondContact O-N 3.02Å |
| 125 | I | 83.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 121.7 | 178.7 | -58.2 | -178.5 | 0 | 0 | 0 | 108.8 | N121 V129 V131 F175 L201 K204 | N121-I125 VanDerWaalsContact O-CG1 3.32Å; N121-I125 WeakPolarHBondContact O-CG1 3.23Å; N121-I125 PolarHBondContact O-N 3.39Å; I125-V129 HydrophobicContact CG2-CG2 3.81Å; I125-V131 HydrophobicContact CD1-CG2 4.42Å; I125-V131 HydrophobicContact CG2-CG2 4.3Å; I125-F175 HydrophobicContact CG2-CB 4.5Å; I125-F175 HydrophobicContact CG2-CD1 3.66Å; I125-F175 HydrophobicContact CG2-CE1 4.25Å; I125-F175 HydrophobicContact CG2-CG 4.25Å; I125-L201 HydrophobicContact CD1-CB 4.28Å; I125-L201 HydrophobicContact CD1-CD1 4.46Å; I125-L201 HydrophobicContact CD1-CD2 3.82Å; I125-L201 HydrophobicContact CD1-CG 4.42Å; I125-K204 PolarHBondContact O-N 2.9Å |
| 126 | I | 83.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 28% | 0.277 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.8 | 172.3 | -60.4 | 173.9 | 0 | 0 | 0 | 107.6 | T124 G128 V129 A206 | T124-I126 PolarHBondContact O-N 3.02Å; I126-G128 PolarHBondContact O-N 3.09Å; I126-V129 WeakPolarHBondContact O-CG1 3.47Å; I126-V129 VanDerWaalsContact O-CG2 3.24Å; I126-V129 WeakPolarHBondContact O-CG2 3.11Å; I126-V129 PolarHBondContact O-N 2.66Å; I126-A206 HydrophobicContact CG2-CB 4.08Å |
| 127 | A | 83.9 | Confident | 86.9 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 21% | 0.207 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 134.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | F175 L176 K204 | A127-F175 CarbonylContact C-O 3.44Å; A127-F175 WeakPolarHBondContact CA-O 3.39Å; A127-L176 HydrophobicContact CB-CD2 4.29Å; A127-K204 PolarHBondContact N-O 3.13Å |
| 128 | G | 80.2 | Confident | 86.6 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 37% | 0.371 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.2 | -12.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | I126 F175 | I126-G128 PolarHBondContact O-N 3.09Å; G128-F175 PolarHBondContact N-O 2.94Å |
| 129 | V | 85.8 | Confident | 86.2 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 30% | 0.303 | 27% | 0.267 | S | S | . | . | trans | -81 | 151.4 | -179 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | V120 I125 I126 V131 F175 | V120-V129 HydrophobicContact CG2-CG2 4.48Å; I125-V129 HydrophobicContact CG2-CG2 3.81Å; I126-V129 WeakPolarHBondContact O-CG1 3.47Å; I126-V129 VanDerWaalsContact O-CG2 3.24Å; I126-V129 WeakPolarHBondContact O-CG2 3.11Å; I126-V129 PolarHBondContact O-N 2.66Å; V129-V131 HydrophobicContact CG2-CG2 4.12Å; V129-F175 WeakPolarHBondContact O-CB 3.35Å; V129-F175 PolarHBondContact O-N 3.11Å | ||
| 130 | L | 89.1 | Confident | 85.6 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | trans | -74.1 | 127.6 | 171.3 | -177.6 | 148 | 0 | 0 | 0 | 110.2 | T171 P173 | L130-T171 HydrophobicContact CD1-CG2 4.22Å; L130-T171 HydrophobicContact CD2-CG2 4.17Å; L130-T171 HydrophobicContact CG-CG2 4.15Å; L130-P173 WeakPolarHBondContact CA-O 3.18Å; L130-P173 WeakPolarHBondContact CB-O 3.41Å | ||
| 131 | V | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121.5 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | V120 I125 V129 L133 I172 F175 L201 | V120-V131 HydrophobicContact CG2-CB 4.34Å; V120-V131 HydrophobicContact CG2-CG1 4.46Å; V120-V131 HydrophobicContact CG2-CG2 3.77Å; I125-V131 HydrophobicContact CD1-CG2 4.42Å; I125-V131 HydrophobicContact CG2-CG2 4.3Å; V129-V131 HydrophobicContact CG2-CG2 4.12Å; V131-L133 HydrophobicContact CG1-CD2 4.11Å; V131-L133 HydrophobicContact CG1-CG 4.39Å; V131-I172 PolarHBondContact N-O 3.43Å; V131-I172 PolarHBondContact O-N 3.02Å; V131-F175 HydrophobicContact CB-CB 4.28Å; V131-F175 HydrophobicContact CB-CD2 4.17Å; V131-F175 HydrophobicContact CB-CG 4.48Å; V131-F175 HydrophobicContact CG2-CB 3.5Å; V131-F175 VanDerWaalsContact CG2-CB 3.5Å; V131-F175 HydrophobicContact CG2-CD2 3.9Å; V131-F175 HydrophobicContact CG2-CG 3.76Å; V131-L201 HydrophobicContact CG1-CD1 4.08Å |
| 132 | T | 92.8 | Very high | 85 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 16% | 0.16 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120 | 171.1 | -57.3 | 0 | 0 | 0 | 0 | 109 | S119 K169 Y170 T171 | S119-T132 PolarHBondContact N-O 2.91Å; S119-T132 PolarHBondContact OG-N 2.69Å; T132-K169 HydrophobicContact CG2-CB 4.14Å; T132-K169 HydrophobicContact CG2-CD 4.35Å; T132-K169 HydrophobicContact CG2-CG 4.42Å; T132-Y170 WeakPolarHBondContact CA-O 3.3Å; T132-T171 PolarHBondContact OG1-OG1 2.84Å |
| 133 | L | 93.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132 | 171.9 | -60.2 | -178.7 | 0 | 0 | 0 | 109.4 | T117 V131 W150 K169 Y170 Y183 L199 L201 | T117-L133 CarbonylContact O-C 3.59Å; T117-L133 WeakPolarHBondContact O-CA 3.42Å; V131-L133 HydrophobicContact CG1-CD2 4.11Å; V131-L133 HydrophobicContact CG1-CG 4.39Å; L133-W150 HydrophobicContact CB-CH2 3.88Å; L133-W150 HydrophobicContact CB-CZ3 3.9Å; L133-W150 HydrophobicContact CD1-CZ3 4.37Å; L133-K169 CarbonylContact O-C 3.57Å; L133-K169 VanDerWaalsContact O-CA 3.24Å; L133-K169 WeakPolarHBondContact O-CA 3.42Å; L133-Y170 PolarHBondContact N-O 2.77Å; L133-Y170 PolarHBondContact O-N 2.95Å; L133-Y183 HydrophobicContact CD1-CD1 3.63Å; L133-Y183 HydrophobicContact CD1-CD2 4.13Å; L133-Y183 HydrophobicContact CD1-CE1 4.34Å; L133-Y183 HydrophobicContact CD1-CG 3.51Å; L133-L199 HydrophobicContact CD2-CD2 3.96Å; L133-L201 HydrophobicContact CD1-CD1 4.16Å; L133-L201 HydrophobicContact CD2-CD1 4.06Å; L133-L201 HydrophobicContact CG-CD1 4.49Å |
| 134 | T | 92.5 | Very high | 84.1 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.3 | 176.8 | -51.7 | 0 | 0 | 0 | 0 | 109.1 | T117 T167 S168 K169 | T117-T134 PolarHBondContact N-O 3.43Å; T117-T134 PolarHBondContact O-N 3.46Å; T134-T167 HydrophobicContact CG2-CG2 4.47Å; T134-S168 WeakPolarHBondContact CA-O 3.44Å; T134-K169 HydrophobicContact CG2-CG 4.12Å |
| 135 | C | 92.2 | Very high | 84 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.7 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | L116 W150 T167 S168 C185 | L116-C135 HydrophobicContact CD2-CB 3.7Å; C135-W150 HydrophobicContact CB-CH2 3.54Å; C135-W150 HydrophobicContact CB-CZ2 3.46Å; C135-W150 VanDerWaalsContact CB-CZ2 3.46Å; C135-T167 CarbonylContact O-C 3.56Å; C135-T167 WeakPolarHBondContact O-CA 3.29Å; C135-T167 WeakPolarHBondContact O-CB 3.4Å; C135-S168 PolarHBondContact N-O 3.01Å; C135-S168 PolarHBondContact O-N 3.07Å; C135-C185 HydrophobicContact CB-CB 3.52Å; C135-C185 WeakPolarHBondContact CB-SG 2.94Å; C135-C185 WeakPolarHBondContact SG-CB 3.24Å; C135-C185 CovalentContact SG-SG 2.02Å; C135-C185 PolarHBondContact SG-SG 2.81Å |
| 136 | G | 85.4 | Confident | 84.2 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | trans | 86.5 | -169.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 137 | P | 84.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 40.7 Ų | 40.7 | 57% | 0.565 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | cis | -69.9 | 143.1 | 2.6 | 28.2 | -34.4 | 0 | 0 | 0 | 112.4 | R166 T167 | P137-R166 HydrophobicContact CB-CB 4.32Å; P137-T167 HydrophobicContact CB-CG2 4.45Å |
| 138 | P | 84.4 | Confident | 84.8 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.045 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 164.2 | 173 | 30.2 | -34.2 | 0 | 0 | 0 | 111.1 | L142 L146 R166 V187 F195 | P138-L142 HydrophobicContact CB-CD2 3.75Å; P138-L142 HydrophobicContact CG-CD2 4.44Å; P138-L146 HydrophobicContact CG-CD1 3.85Å; P138-R166 WeakPolarHBondContact CD-O 3.46Å; P138-V187 HydrophobicContact CG-CG1 4.34Å; P138-F195 HydrophobicContact CB-CB 4.3Å; P138-F195 HydrophobicContact CB-CD1 3.89Å; P138-F195 HydrophobicContact CB-CD2 4.32Å; P138-F195 HydrophobicContact CB-CE1 4.27Å; P138-F195 HydrophobicContact CB-CG 3.92Å |
| 139 | P | 82 | Confident | 85.4 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -53.3 | 144.9 | 178.3 | -23.8 | 31.5 | 0 | 0 | 0 | 112.7 | N100 F110 N141 L142 R166 F195 | N100-P139 HydrophobicContact CB-CB 3.93Å; N100-P139 WeakPolarHBondContact OD1-CB 3.47Å; F110-P139 HydrophobicContact CD2-CG 4.26Å; F110-P139 HydrophobicContact CE1-CG 4.44Å; F110-P139 HydrophobicContact CE2-CG 4.04Å; F110-P139 HydrophobicContact CZ-CG 4.14Å; P139-N141 VanDerWaalsContact C-N 3.29Å; P139-N141 PolarHBondContact O-N 3.28Å; P139-L142 VanDerWaalsContact O-CB 3.27Å; P139-L142 WeakPolarHBondContact O-CB 3.38Å; P139-L142 PolarHBondContact O-N 3.42Å; P139-R166 PolarHBondContact O-NH2 3.01Å; P139-F195 HydrophobicContact CG-CD2 4.1Å; P139-F195 HydrophobicContact CG-CE2 4.27Å |
| 140 | T | 79 | Confident | 85.7 | Confident | 98 Ų | 98 | 37.7 Ų | 37.7 | 60% | 0.601 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -57.1 | -42.1 | -170.8 | 37.6 | 0 | 0 | 0 | 0 | 112.5 | L142 G143 R166 | T140-L142 PolarHBondContact O-N 3.25Å; T140-G143 PolarHBondContact O-N 3.06Å; T140-R166 PolarHBondContact O-NH1 2.75Å |
| 141 | N | 80.6 | Confident | 85.8 | Confident | 68 Ų | 68 | 34 Ų | 34 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -75.1 | -4.9 | -177.2 | -65.3 | -24.6 | 0 | 0 | 0 | 114.4 | N100 A104 P139 G143 R189 | N100-N141 VanDerWaalsContact O-CB 3.23Å; N100-N141 WeakPolarHBondContact O-CB 3.27Å; N100-N141 PolarHBondContact O-ND2 3.37Å; N100-N141 WeakPolarHBondContact OD1-CB 3.38Å; N100-N141 PolarHBondContact OD1-N 2.81Å; A104-N141 HydrophobicContact CB-CB 4.1Å; P139-N141 VanDerWaalsContact C-N 3.29Å; P139-N141 PolarHBondContact O-N 3.28Å; N141-G143 PolarHBondContact O-N 3.24Å; N141-R189 PolarHBondContact O-NH1 3.31Å |
| 142 | L | 77.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -68.5 | -13.6 | 172.5 | -150 | 75.9 | 0 | 0 | 0 | 112.1 | A103 P138 P139 T140 L146 V187 R189 A193 F195 | A103-L142 HydrophobicContact CB-CD1 4.2Å; P138-L142 HydrophobicContact CB-CD2 3.75Å; P138-L142 HydrophobicContact CG-CD2 4.44Å; P139-L142 VanDerWaalsContact O-CB 3.27Å; P139-L142 WeakPolarHBondContact O-CB 3.38Å; P139-L142 PolarHBondContact O-N 3.42Å; T140-L142 PolarHBondContact O-N 3.25Å; L142-L146 HydrophobicContact CD2-CD2 4.13Å; L142-L146 HydrophobicContact CG-CD2 4.28Å; L142-V187 HydrophobicContact CD2-CG1 4.48Å; L142-R189 VanDerWaalsContact O-CD 3.27Å; L142-R189 WeakPolarHBondContact O-CD 3.2Å; L142-R189 PolarHBondContact O-NH1 3.18Å; L142-A193 HydrophobicContact CD1-CB 3.94Å; L142-F195 HydrophobicContact CD2-CB 3.63Å |
| 143 | G | 73.3 | Confident | 85.4 | Confident | 28 Ų | 28 | 37.5 Ų | 37.5 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | trans | 86.9 | -170.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T140 N141 L146 R166 | T140-G143 PolarHBondContact O-N 3.06Å; N141-G143 PolarHBondContact O-N 3.24Å; G143-L146 WeakPolarHBondContact O-CD1 3.27Å; G143-R166 VanDerWaalsContact O-CZ 3.26Å; G143-R166 PolarHBondContact O-NH2 2.88Å | ||
| 144 | S | 69.1 | Low | 84.8 | Confident | 116 Ų | 116 | 40.7 Ų | 40.7 | 81% | 0.811 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -111.4 | -22 | -170.1 | 50.6 | 0 | 0 | 0 | 0 | 115.6 | L146 | S144-L146 PolarHBondContact O-N 3.33Š|
| 145 | D | 79.8 | Confident | 84.4 | Confident | 82 Ų | 82 | 43.6 Ų | 43.6 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | trans | -89 | 77.1 | 178.4 | -166.4 | 14.1 | 0 | 0 | 0 | 110.6 | K190 | D145-K190 IonicContact OD1-NZ 3.5Å; D145-K190 VanDerWaalsContact OD2-CD 3.27Å; D145-K190 WeakPolarHBondContact OD2-CD 3.44Å; D145-K190 WeakPolarHBondContact OD2-CE 3.46Å; D145-K190 IonicContact OD2-NZ 2.74Å; D145-K190 PolarHBondContact OD2-NZ 3.36Å | ||
| 146 | L | 87 | Confident | 84.2 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 145.3 | -170.7 | -60.6 | 175.3 | 0 | 0 | 0 | 111.6 | P138 L142 G143 S144 P162 V187 K188 R189 | P138-L146 HydrophobicContact CG-CD1 3.85Å; L142-L146 HydrophobicContact CD2-CD2 4.13Å; L142-L146 HydrophobicContact CG-CD2 4.28Å; G143-L146 WeakPolarHBondContact O-CD1 3.27Å; S144-L146 PolarHBondContact O-N 3.33Å; L146-P162 HydrophobicContact CB-CG 3.74Å; L146-P162 HydrophobicContact CD1-CG 4.46Å; L146-P162 VanDerWaalsContact O-CD 3.24Å; L146-P162 WeakPolarHBondContact O-CD 3.44Å; L146-V187 HydrophobicContact CB-CG1 3.9Å; L146-V187 HydrophobicContact CD1-CG1 3.9Å; L146-V187 HydrophobicContact CD2-CG1 4.13Å; L146-V187 HydrophobicContact CG-CG1 4.19Å; L146-K188 WeakPolarHBondContact CA-O 3.5Å; L146-R189 HydrophobicContact CD2-CB 4.11Å |
| 147 | T | 88.7 | Confident | 84.2 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143 | 170.8 | 51.4 | 0 | 0 | 0 | 0 | 109 | V187 K188 | T147-V187 CarbonylContact O-C 3.55Å; T147-V187 VanDerWaalsContact O-CA 3.3Å; T147-V187 WeakPolarHBondContact O-CA 3.38Å; T147-K188 PolarHBondContact N-O 2.81Å; T147-K188 PolarHBondContact O-N 3.49Å; T147-K188 PolarHBondContact OG1-O 2.95Å |
| 148 | V | 91.3 | Very high | 84.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.9 | -178.6 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | T159 D160 P162 C185 K186 V187 | V148-T159 CarbonylContact O-C 3.54Å; V148-T159 VanDerWaalsContact O-CA 3.28Å; V148-T159 WeakPolarHBondContact O-CA 3.04Å; V148-D160 PolarHBondContact N-O 2.86Å; V148-D160 PolarHBondContact O-N 3.17Å; V148-P162 HydrophobicContact CG2-CB 4.23Å; V148-P162 HydrophobicContact CG2-CG 4.24Å; V148-C185 WeakPolarHBondContact CG1-SG 3.36Å; V148-K186 CarbonylContact C-O 3.51Å; V148-K186 WeakPolarHBondContact CA-O 3.34Å; V148-V187 HydrophobicContact CG1-CG2 4.41Å; V148-V187 HydrophobicContact CG2-CG1 4.32Å; V148-V187 HydrophobicContact CG2-CG2 4.06Å |
| 149 | E | 92.8 | Very high | 84.5 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.6 | 172.1 | -72.2 | 175.2 | -164.2 | 0 | 0 | 109.8 | L156 T159 C185 K186 K188 | E149-L156 HydrophobicContact CB-CD1 4.29Å; E149-L156 HydrophobicContact CG-CD1 4.41Å; E149-T159 HydrophobicContact CG-CG2 4.36Å; E149-C185 CarbonylContact O-C 3.52Å; E149-C185 WeakPolarHBondContact O-CA 3.31Å; E149-K186 HydrophobicContact CB-CB 4.4Å; E149-K186 PolarHBondContact N-O 2.8Å; E149-K186 PolarHBondContact O-N 2.84Å; E149-K188 VanDerWaalsContact CD-CE 3.5Å; E149-K188 WeakPolarHBondContact OE1-CE 3.39Å; E149-K188 IonicContact OE1-NZ 3.22Å; E149-K188 PolarHBondContact OE1-NZ 3.02Å; E149-K188 WeakPolarHBondContact OE2-CE 3.41Å; E149-K188 IonicContact OE2-NZ 3.92Å; E149-K188 PolarHBondContact OE2-NZ 3.03Å |
| 150 | W | 93.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.8 | 172.2 | -72.5 | 97.3 | 0 | 0 | 0 | 109.9 | L116 L133 C135 L157 A158 S168 Y170 C185 | L116-W150 HydrophobicContact CD1-CZ3 3.85Å; L116-W150 HydrophobicContact CD2-CH2 3.93Å; L116-W150 HydrophobicContact CD2-CZ3 3.99Å; L133-W150 HydrophobicContact CB-CH2 3.88Å; L133-W150 HydrophobicContact CB-CZ3 3.9Å; L133-W150 HydrophobicContact CD1-CZ3 4.37Å; C135-W150 HydrophobicContact CB-CH2 3.54Å; C135-W150 HydrophobicContact CB-CZ2 3.46Å; C135-W150 VanDerWaalsContact CB-CZ2 3.46Å; W150-L157 HydrophobicContact CB-CB 4.21Å; W150-L157 PolarHBondContact O-N 2.68Å; W150-A158 HydrophobicContact CB-CB 4.41Å; W150-A158 PolarHBondContact N-O 2.9Å; W150-A158 PolarHBondContact O-N 3.2Å; W150-S168 PolarHBondContact NE1-OG 3Å; W150-Y170 HydrophobicContact CB-CD2 4.5Å; W150-Y170 HydrophobicContact CD2-CG 4.31Å; W150-Y170 HydrophobicContact CE3-CG 4.48Å; W150-Y170 HydrophobicContact CG-CD2 4.38Å; W150-Y170 HydrophobicContact CG-CG 4.43Å; W150-C185 HydrophobicContact CD2-CB 4.26Å; W150-C185 HydrophobicContact CE3-CB 3.97Å; W150-C185 HydrophobicContact CH2-CB 4.08Å; W150-C185 HydrophobicContact CZ2-CB 4.31Å; W150-C185 HydrophobicContact CZ3-CB 3.89Å |
| 151 | T | 91.1 | Very high | 84.9 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.3 | 177.2 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | N155 L156 Y183 V184 | T151-N155 CarbonylContact C-O 3.46Å; T151-N155 WeakPolarHBondContact CA-O 3.48Å; T151-N155 WeakPolarHBondContact CB-O 3.33Å; T151-L156 HydrophobicContact CG2-CD1 4.28Å; T151-Y183 CarbonylContact O-C 3.54Å; T151-Y183 WeakPolarHBondContact O-CA 3.18Å; T151-V184 PolarHBondContact N-O 2.82Å; T151-V184 PolarHBondContact O-N 3.48Å; T151-V184 WeakPolarHBondContact OG1-CB 3.49Å; T151-V184 PolarHBondContact OG1-O 2.95Å |
| 152 | R | 91.3 | Very high | 85.1 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.3 | 170.8 | -176.9 | -172.9 | 77.2 | -166.9 | 6.2 | 109.9 | G154 N155 L157 I178 T182 Y183 | R152-G154 PolarHBondContact O-N 2.89Å; R152-G154 VanDerWaalsContact O-N 3.07Å; R152-N155 PolarHBondContact N-O 2.92Å; R152-N155 PolarHBondContact O-N 3.49Å; R152-L157 HydrophobicContact CB-CD1 3.75Å; R152-L157 HydrophobicContact CB-CD2 4.13Å; R152-L157 HydrophobicContact CB-CG 4.09Å; R152-I178 PolarHBondContact NH1-O 2.88Å; R152-T182 WeakPolarHBondContact CA-O 3.46Å; R152-Y183 HydrophobicContact CB-CD1 4.27Å; R152-Y183 HydrophobicContact CB-CE1 4.17Å; R152-Y183 WeakPolarHBondContact CD-OH 3.45Å; R152-Y183 HydrophobicContact CG-CD1 4.43Å; R152-Y183 HydrophobicContact CG-CE1 4.12Å; R152-Y183 HydrophobicContact CG-CE2 4.21Å |
| 153 | S | 83.4 | Confident | 85.3 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 34.2 | -178.3 | -54 | 0 | 0 | 0 | 0 | 113 | T182 | S153-T182 PolarHBondContact N-O 3.31Š|
| 154 | G | 81.5 | Confident | 85.6 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.8 | -14.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R152 | R152-G154 PolarHBondContact O-N 2.89Å; R152-G154 VanDerWaalsContact O-N 3.07Å |
| 155 | N | 84.1 | Confident | 86.2 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 136.1 | 179 | -65.7 | -49.4 | 0 | 0 | 0 | 111.7 | T151 R152 V353 | T151-N155 CarbonylContact C-O 3.46Å; T151-N155 WeakPolarHBondContact CA-O 3.48Å; T151-N155 WeakPolarHBondContact CB-O 3.33Å; R152-N155 PolarHBondContact N-O 2.92Å; R152-N155 PolarHBondContact O-N 3.49Å; N155-V353 HydrophobicContact CB-CG1 3.65Å |
| 156 | L | 87.6 | Confident | 86.4 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 52% | 0.518 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 127.8 | 176.8 | -174.9 | 70.2 | 0 | 0 | 0 | 110.8 | E149 T151 | E149-L156 HydrophobicContact CB-CD1 4.29Å; E149-L156 HydrophobicContact CG-CD1 4.41Å; T151-L156 HydrophobicContact CG2-CD1 4.28Å |
| 157 | L | 86.1 | Confident | 86.4 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -49.5 | 178 | -63.7 | 176.1 | 0 | 0 | 0 | 111.8 | W150 R152 Y170 Y183 V353 | W150-L157 HydrophobicContact CB-CB 4.21Å; W150-L157 PolarHBondContact O-N 2.68Å; R152-L157 HydrophobicContact CB-CD1 3.75Å; R152-L157 HydrophobicContact CB-CD2 4.13Å; R152-L157 HydrophobicContact CB-CG 4.09Å; L157-Y170 HydrophobicContact CB-CE2 4.03Å; L157-Y170 HydrophobicContact CD1-CD1 4.49Å; L157-Y170 HydrophobicContact CD1-CE1 3.82Å; L157-Y170 HydrophobicContact CD1-CE2 4.36Å; L157-Y183 HydrophobicContact CD1-CD1 3.91Å; L157-Y183 HydrophobicContact CD1-CE1 3.85Å; L157-V353 HydrophobicContact CD2-CG1 4.43Å; L157-V353 HydrophobicContact CD2-CG2 4.23Å |
| 158 | A | 87 | Confident | 86.5 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 154.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | W150 Y170 | W150-A158 HydrophobicContact CB-CB 4.41Å; W150-A158 PolarHBondContact N-O 2.9Å; W150-A158 PolarHBondContact O-N 3.2Å; A158-Y170 HydrophobicContact CB-CD2 4.35Å; A158-Y170 HydrophobicContact CB-CE2 4.3Å |
| 159 | T | 87.5 | Confident | 86.6 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 117.6 | 169.9 | -54.9 | 0 | 0 | 0 | 0 | 108.7 | V148 E149 | V148-T159 CarbonylContact O-C 3.54Å; V148-T159 VanDerWaalsContact O-CA 3.28Å; V148-T159 WeakPolarHBondContact O-CA 3.04Å; E149-T159 HydrophobicContact CG-CG2 4.36Å |
| 160 | D | 85.8 | Confident | 86.5 | Confident | 63 Ų | 63 | 66 Ų | 66 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 166.8 | -172.2 | -69.1 | -41.7 | 0 | 0 | 0 | 112.1 | V148 | V148-D160 PolarHBondContact N-O 2.86Å; V148-D160 PolarHBondContact O-N 3.17Å |
| 161 | K | 84.8 | Confident | 86.4 | Confident | 172 Ų | 172 | 69.2 Ų | 69.2 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | trans | -98.6 | 141.6 | 162.2 | -68.7 | -173.3 | 179.6 | -177.6 | 0 | 109.2 | ||||
| 162 | P | 84.4 | Confident | 86.2 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | trans | -65.3 | 149.8 | 176.4 | 20 | -19.7 | 0 | 0 | 0 | 111 | L146 V148 T167 | L146-P162 HydrophobicContact CB-CG 3.74Å; L146-P162 HydrophobicContact CD1-CG 4.46Å; L146-P162 VanDerWaalsContact O-CD 3.24Å; L146-P162 WeakPolarHBondContact O-CD 3.44Å; V148-P162 HydrophobicContact CG2-CB 4.23Å; V148-P162 HydrophobicContact CG2-CG 4.24Å; P162-T167 CarbonylContact C-O 3.51Å; P162-T167 WeakPolarHBondContact CA-O 3.27Å; P162-T167 WeakPolarHBondContact CB-O 3.46Å | ||
| 163 | S | 82.2 | Confident | 85.9 | Confident | 60 Ų | 60 | 72.8 Ų | 72.8 | 42% | 0.42 | 40% | 0.404 | S | S | . | . | trans | -69.4 | 175.9 | 174.4 | 39.6 | 0 | 0 | 0 | 0 | 112 | D165 R166 T167 | S163-D165 VanDerWaalsContact CB-OD1 3.28Å; S163-D165 WeakPolarHBondContact CB-OD1 3.32Å; S163-D165 PolarHBondContact O-N 2.94Å; S163-D165 VanDerWaalsContact O-N 3.14Å; S163-D165 PolarHBondContact OG-OD1 2.82Å; S163-R166 WeakPolarHBondContact O-CA 3.08Å; S163-R166 PolarHBondContact O-N 2.83Å; S163-T167 PolarHBondContact N-O 2.02Å; S163-T167 PolarHBondContact OG-O 2.95Å; S163-T167 PolarHBondContact OG-OG1 3.23Å | ||
| 164 | Q | 78.8 | Confident | 86 | Confident | 206 Ų | 206 | 72.2 Ų | 72.2 | 96% | 0.963 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.5 | -177.6 | -70.6 | -176.1 | -6.5 | 0 | 0 | 113.5 | R166 | Q164-R166 PolarHBondContact O-N 2.75Š|
| 165 | D | 81.5 | Confident | 86.3 | Confident | 90 Ų | 90 | 69 Ų | 69 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 7.6 | 174.9 | 66.5 | -20.1 | 0 | 0 | 0 | 113.6 | S163 T167 | S163-D165 VanDerWaalsContact CB-OD1 3.28Å; S163-D165 WeakPolarHBondContact CB-OD1 3.32Å; S163-D165 PolarHBondContact O-N 2.94Å; S163-D165 VanDerWaalsContact O-N 3.14Å; S163-D165 PolarHBondContact OG-OD1 2.82Å; D165-T167 PolarHBondContact O-N 2.95Å; D165-T167 PolarHBondContact OD1-N 2.83Å; D165-T167 PolarHBondContact OD1-OG1 2.82Å; D165-T167 WeakPolarHBondContact OD2-CG2 3.43Å; D165-T167 PolarHBondContact OD2-OG1 3.06Å |
| 166 | R | 83.5 | Confident | 86.4 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 23% | 0.234 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 60.8 | 22.6 | -175.7 | -56.3 | 176.7 | 62.8 | -177.6 | -7.5 | 114 | P137 P138 P139 T140 G143 S163 Q164 | P137-R166 HydrophobicContact CB-CB 4.32Å; P138-R166 WeakPolarHBondContact CD-O 3.46Å; P139-R166 PolarHBondContact O-NH2 3.01Å; T140-R166 PolarHBondContact O-NH1 2.75Å; G143-R166 VanDerWaalsContact O-CZ 3.26Å; G143-R166 PolarHBondContact O-NH2 2.88Å; S163-R166 WeakPolarHBondContact O-CA 3.08Å; S163-R166 PolarHBondContact O-N 2.83Å; Q164-R166 PolarHBondContact O-N 2.75Å |
| 167 | T | 87.8 | Confident | 86.3 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | trans | -100.8 | 165.6 | 172.1 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | T134 C135 P137 P162 S163 D165 | T134-T167 HydrophobicContact CG2-CG2 4.47Å; C135-T167 CarbonylContact O-C 3.56Å; C135-T167 WeakPolarHBondContact O-CA 3.29Å; C135-T167 WeakPolarHBondContact O-CB 3.4Å; P137-T167 HydrophobicContact CB-CG2 4.45Å; P162-T167 CarbonylContact C-O 3.51Å; P162-T167 WeakPolarHBondContact CA-O 3.27Å; P162-T167 WeakPolarHBondContact CB-O 3.46Å; S163-T167 PolarHBondContact N-O 2.02Å; S163-T167 PolarHBondContact OG-O 2.95Å; S163-T167 PolarHBondContact OG-OG1 3.23Å; D165-T167 PolarHBondContact O-N 2.95Å; D165-T167 PolarHBondContact OD1-N 2.83Å; D165-T167 PolarHBondContact OD1-OG1 2.82Å; D165-T167 WeakPolarHBondContact OD2-CG2 3.43Å; D165-T167 PolarHBondContact OD2-OG1 3.06Å | ||
| 168 | S | 91.5 | Very high | 86.3 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.1 | 168.1 | 174 | 0 | 0 | 0 | 0 | 108.4 | T134 C135 W150 | T134-S168 WeakPolarHBondContact CA-O 3.44Å; C135-S168 PolarHBondContact N-O 3.01Å; C135-S168 PolarHBondContact O-N 3.07Å; W150-S168 PolarHBondContact NE1-OG 3Å |
| 169 | K | 92.6 | Very high | 86.4 | Confident | 128 Ų | 128 | 65.4 Ų | 65.4 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.6 | -177.5 | -65.9 | -178.8 | -177.5 | 176 | 0 | 110.3 | T132 L133 T134 | T132-K169 HydrophobicContact CG2-CB 4.14Å; T132-K169 HydrophobicContact CG2-CD 4.35Å; T132-K169 HydrophobicContact CG2-CG 4.42Å; L133-K169 CarbonylContact O-C 3.57Å; L133-K169 VanDerWaalsContact O-CA 3.24Å; L133-K169 WeakPolarHBondContact O-CA 3.42Å; T134-K169 HydrophobicContact CG2-CG 4.12Å |
| 170 | Y | 91.4 | Very high | 86.5 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.3 | 171.2 | -176.8 | -101.4 | 0 | 0 | 0 | 109.1 | T132 L133 W150 L157 A158 I172 Y183 | T132-Y170 WeakPolarHBondContact CA-O 3.3Å; L133-Y170 PolarHBondContact N-O 2.77Å; L133-Y170 PolarHBondContact O-N 2.95Å; W150-Y170 HydrophobicContact CB-CD2 4.5Å; W150-Y170 HydrophobicContact CD2-CG 4.31Å; W150-Y170 HydrophobicContact CE3-CG 4.48Å; W150-Y170 HydrophobicContact CG-CD2 4.38Å; W150-Y170 HydrophobicContact CG-CG 4.43Å; L157-Y170 HydrophobicContact CB-CE2 4.03Å; L157-Y170 HydrophobicContact CD1-CD1 4.49Å; L157-Y170 HydrophobicContact CD1-CE1 3.82Å; L157-Y170 HydrophobicContact CD1-CE2 4.36Å; A158-Y170 HydrophobicContact CB-CD2 4.35Å; A158-Y170 HydrophobicContact CB-CE2 4.3Å; Y170-I172 HydrophobicContact CD1-CD1 4.42Å; Y170-I172 HydrophobicContact CD1-CG1 4.04Å; Y170-I172 HydrophobicContact CE1-CD1 4.02Å; Y170-I172 HydrophobicContact CE1-CG1 3.58Å; Y170-Y183 HydrophobicContact CD1-CE1 4.5Å; Y170-Y183 HydrophobicContact CE1-CE1 4.09Å |
| 171 | T | 89.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.5 | -175.1 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | L130 T132 | L130-T171 HydrophobicContact CD1-CG2 4.22Å; L130-T171 HydrophobicContact CD2-CG2 4.17Å; L130-T171 HydrophobicContact CG-CG2 4.15Å; T132-T171 PolarHBondContact OG1-OG1 2.84Å |
| 172 | I | 88.1 | Confident | 86.9 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 107.1 | 172.4 | -55.3 | 166.2 | 0 | 0 | 0 | 106.4 | V131 Y170 K174 F175 Y183 | V131-I172 PolarHBondContact N-O 3.43Å; V131-I172 PolarHBondContact O-N 3.02Å; Y170-I172 HydrophobicContact CD1-CD1 4.42Å; Y170-I172 HydrophobicContact CD1-CG1 4.04Å; Y170-I172 HydrophobicContact CE1-CD1 4.02Å; Y170-I172 HydrophobicContact CE1-CG1 3.58Å; I172-K174 VanDerWaalsContact C-N 3.3Å; I172-K174 PolarHBondContact O-N 3.16Å; I172-F175 HydrophobicContact CB-CD2 4.42Å; I172-F175 HydrophobicContact CD1-CD2 3.64Å; I172-F175 HydrophobicContact CD1-CE2 3.83Å; I172-F175 HydrophobicContact CG2-CB 4.36Å; I172-F175 HydrophobicContact CG2-CD2 4.14Å; I172-Y183 HydrophobicContact CD1-CE1 3.78Å; I172-Y183 WeakPolarHBondContact CD1-OH 3.28Å |
| 173 | P | 85.3 | Confident | 87.3 | Confident | 102 Ų | 102 | 54.9 Ų | 54.9 | 66% | 0.662 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -60.1 | -37.6 | -174.3 | -26.5 | 35.1 | 0 | 0 | 0 | 113.9 | L130 | L130-P173 WeakPolarHBondContact CA-O 3.18Å; L130-P173 WeakPolarHBondContact CB-O 3.41Å |
| 174 | K | 84.8 | Confident | 87.9 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -137.3 | 98.3 | -179.7 | -166.7 | -178.7 | -177.2 | -173.9 | 0 | 108.5 | I172 L176 H179 E348 | I172-K174 VanDerWaalsContact C-N 3.3Å; I172-K174 PolarHBondContact O-N 3.16Å; K174-L176 HydrophobicContact CD-CD1 4.31Å; K174-L176 HydrophobicContact CD-CD2 4.47Å; K174-L176 HydrophobicContact CG-CD1 4.4Å; K174-L176 HydrophobicContact CG-CD2 4.12Å; K174-L176 HydrophobicContact CG-CG 4.19Å; K174-H179 PolarHBondContact O-CE1 2.92Å; K174-H179 PolarHBondContact O-ND1 3.11Å; K174-H179 VanDerWaalsContact O-ND1 3.08Å; K174-E348 IonicContact NZ-OE2 2.91Å; K174-E348 PolarHBondContact NZ-OE2 3.05Å |
| 175 | F | 86.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -76.8 | 124 | 179.8 | -165.7 | -87.5 | 0 | 0 | 0 | 110.2 | I125 A127 G128 V129 V131 I172 H179 D180 Y183 L201 | I125-F175 HydrophobicContact CG2-CB 4.5Å; I125-F175 HydrophobicContact CG2-CD1 3.66Å; I125-F175 HydrophobicContact CG2-CE1 4.25Å; I125-F175 HydrophobicContact CG2-CG 4.25Å; A127-F175 CarbonylContact C-O 3.44Å; A127-F175 WeakPolarHBondContact CA-O 3.39Å; G128-F175 PolarHBondContact N-O 2.94Å; V129-F175 WeakPolarHBondContact O-CB 3.35Å; V129-F175 PolarHBondContact O-N 3.11Å; V131-F175 HydrophobicContact CB-CB 4.28Å; V131-F175 HydrophobicContact CB-CD2 4.17Å; V131-F175 HydrophobicContact CB-CG 4.48Å; V131-F175 HydrophobicContact CG2-CB 3.5Å; V131-F175 VanDerWaalsContact CG2-CB 3.5Å; V131-F175 HydrophobicContact CG2-CD2 3.9Å; V131-F175 HydrophobicContact CG2-CG 3.76Å; I172-F175 HydrophobicContact CB-CD2 4.42Å; I172-F175 HydrophobicContact CD1-CD2 3.64Å; I172-F175 HydrophobicContact CD1-CE2 3.83Å; I172-F175 HydrophobicContact CG2-CB 4.36Å; I172-F175 HydrophobicContact CG2-CD2 4.14Å; F175-H179 HydrophobicContact CD2-CB 3.8Å; F175-H179 HydrophobicContact CE1-CB 4.4Å; F175-H179 HydrophobicContact CE2-CB 3.6Å; F175-H179 HydrophobicContact CG-CB 4.27Å; F175-H179 HydrophobicContact CZ-CB 3.93Å; F175-H179 WeakPolarHBondContact CZ-O 3.05Å; F175-D180 WeakPolarHBondContact CE1-OD1 3.49Å; F175-Y183 HydrophobicContact CE2-CE2 4.15Å; F175-L201 HydrophobicContact CD2-CD1 4.42Å; F175-L201 HydrophobicContact CE1-CB 4.39Å; F175-L201 HydrophobicContact CE2-CB 4.08Å; F175-L201 HydrophobicContact CE2-CD1 3.63Å; F175-L201 HydrophobicContact CZ-CB 3.57Å; F175-L201 HydrophobicContact CZ-CD1 4.01Å; F175-L201 HydrophobicContact CZ-CG 4.49Å | ||
| 176 | L | 87.1 | Confident | 89.1 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | trans | -134 | 173.9 | -172.5 | -63.1 | 177.2 | 0 | 0 | 0 | 108.3 | A127 K174 I178 H179 E346 A349 | A127-L176 HydrophobicContact CB-CD2 4.29Å; K174-L176 HydrophobicContact CD-CD1 4.31Å; K174-L176 HydrophobicContact CD-CD2 4.47Å; K174-L176 HydrophobicContact CG-CD1 4.4Å; K174-L176 HydrophobicContact CG-CD2 4.12Å; K174-L176 HydrophobicContact CG-CG 4.19Å; L176-I178 VanDerWaalsContact C-N 3.26Å; L176-I178 HydrophobicContact CB-CG1 3.98Å; L176-I178 PolarHBondContact O-N 3.25Å; L176-H179 PolarHBondContact N-ND1 3.3Å; L176-H179 WeakPolarHBondContact O-CA 3.2Å; L176-H179 VanDerWaalsContact O-CB 3.27Å; L176-H179 WeakPolarHBondContact O-CB 3.34Å; L176-H179 PolarHBondContact O-N 3.46Å; L176-E346 HydrophobicContact CB-CG 4.27Å; L176-E346 HydrophobicContact CD1-CG 4.21Å; L176-A349 HydrophobicContact CD1-CB 3.92Å | ||
| 177 | K | 85.8 | Confident | 89.4 | Confident | 134 Ų | 134 | 40.1 Ų | 40.1 | 58% | 0.583 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -58.9 | -36.6 | -178.4 | -167 | -177.1 | 174.1 | -165.9 | 0 | 113.2 | H179 D180 S203 E346 | K177-H179 PolarHBondContact O-N 3.17Å; K177-D180 VanDerWaalsContact O-CB 3.27Å; K177-D180 WeakPolarHBondContact O-CB 2.98Å; K177-D180 PolarHBondContact O-N 2.94Å; K177-S203 VanDerWaalsContact CA-OG 3.27Å; K177-S203 WeakPolarHBondContact CA-OG 3.43Å; K177-S203 PolarHBondContact N-OG 3.25Å; K177-E346 WeakPolarHBondContact CB-OE1 2.93Å |
| 178 | I | 86.4 | Confident | 89.4 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -59 | -16.6 | 172.1 | 54.9 | 166.2 | 0 | 0 | 0 | 114.1 | R152 L176 E346 L350 T354 F358 | R152-I178 PolarHBondContact NH1-O 2.88Å; L176-I178 VanDerWaalsContact C-N 3.26Å; L176-I178 HydrophobicContact CB-CG1 3.98Å; L176-I178 PolarHBondContact O-N 3.25Å; I178-E346 HydrophobicContact CD1-CB 4.28Å; I178-E346 HydrophobicContact CG1-CB 4.48Å; I178-E346 HydrophobicContact CG1-CG 4.38Å; I178-E346 HydrophobicContact CG2-CB 4.21Å; I178-E346 HydrophobicContact CG2-CG 4.22Å; I178-E346 VanDerWaalsContact CG2-OE2 3.26Å; I178-E346 WeakPolarHBondContact CG2-OE2 3.5Å; I178-L350 HydrophobicContact CD1-CD2 4.06Å; I178-T354 HydrophobicContact CB-CG2 4.24Å; I178-T354 HydrophobicContact CD1-CG2 4.19Å; I178-T354 HydrophobicContact CG1-CG2 4.41Å; I178-F358 HydrophobicContact CG2-CB 4.33Å; I178-F358 HydrophobicContact CG2-CD2 4.16Å |
| 179 | H | 88.4 | Confident | 89.2 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -95.5 | -4.3 | 178.4 | -56 | 135.3 | 0 | 0 | 0 | 113.2 | K174 F175 L176 K177 Y183 | K174-H179 PolarHBondContact O-CE1 2.92Å; K174-H179 PolarHBondContact O-ND1 3.11Å; K174-H179 VanDerWaalsContact O-ND1 3.08Å; F175-H179 HydrophobicContact CD2-CB 3.8Å; F175-H179 HydrophobicContact CE1-CB 4.4Å; F175-H179 HydrophobicContact CE2-CB 3.6Å; F175-H179 HydrophobicContact CG-CB 4.27Å; F175-H179 HydrophobicContact CZ-CB 3.93Å; F175-H179 WeakPolarHBondContact CZ-O 3.05Å; L176-H179 PolarHBondContact N-ND1 3.3Å; L176-H179 WeakPolarHBondContact O-CA 3.2Å; L176-H179 VanDerWaalsContact O-CB 3.27Å; L176-H179 WeakPolarHBondContact O-CB 3.34Å; L176-H179 PolarHBondContact O-N 3.46Å; K177-H179 PolarHBondContact O-N 3.17Å; H179-Y183 WeakPolarHBondContact O-CE2 3.43Å; H179-Y183 PolarHBondContact O-OH 2.92Å |
| 180 | D | 88.8 | Confident | 88.6 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | trans | -60.5 | 142.3 | 176.4 | -72.8 | 11.7 | 0 | 0 | 0 | 110.7 | F175 K177 S203 | F175-D180 WeakPolarHBondContact CE1-OD1 3.49Å; K177-D180 VanDerWaalsContact O-CB 3.27Å; K177-D180 WeakPolarHBondContact O-CB 2.98Å; K177-D180 PolarHBondContact O-N 2.94Å; D180-S203 VanDerWaalsContact CG-N 3.34Å; D180-S203 WeakPolarHBondContact OD1-CB 3.24Å; D180-S203 PolarHBondContact OD1-N 3.42Å; D180-S203 PolarHBondContact OD1-OG 3.09Å; D180-S203 PolarHBondContact OD2-N 3.45Å; D180-S203 VanDerWaalsContact OD2-N 3.16Å; D180-S203 PolarHBondContact OD2-OG 3.04Å | ||
| 181 | G | 88.9 | Confident | 88 | Confident | 19 Ų | 19 | 48 Ų | 48 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.4 | -175.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | S200 L201 | G181-S200 WeakPolarHBondContact O-CA 3.25Å; G181-L201 PolarHBondContact N-O 3.4Å; G181-L201 PolarHBondContact O-N 3.41Å |
| 182 | T | 91.3 | Very high | 87.4 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 34% | 0.344 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114 | -179.8 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | R152 S153 V184 S200 | R152-T182 WeakPolarHBondContact CA-O 3.46Å; S153-T182 PolarHBondContact N-O 3.31Å; T182-V184 HydrophobicContact CG2-CG2 4.12Å; T182-S200 PolarHBondContact OG1-OG 3.37Å |
| 183 | Y | 92.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133 | 174.4 | -68.6 | -97.8 | 0 | 0 | 0 | 109.2 | L133 T151 R152 L157 Y170 I172 F175 H179 S198 L199 L201 | L133-Y183 HydrophobicContact CD1-CD1 3.63Å; L133-Y183 HydrophobicContact CD1-CD2 4.13Å; L133-Y183 HydrophobicContact CD1-CE1 4.34Å; L133-Y183 HydrophobicContact CD1-CG 3.51Å; T151-Y183 CarbonylContact O-C 3.54Å; T151-Y183 WeakPolarHBondContact O-CA 3.18Å; R152-Y183 HydrophobicContact CB-CD1 4.27Å; R152-Y183 HydrophobicContact CB-CE1 4.17Å; R152-Y183 WeakPolarHBondContact CD-OH 3.45Å; R152-Y183 HydrophobicContact CG-CD1 4.43Å; R152-Y183 HydrophobicContact CG-CE1 4.12Å; R152-Y183 HydrophobicContact CG-CE2 4.21Å; L157-Y183 HydrophobicContact CD1-CD1 3.91Å; L157-Y183 HydrophobicContact CD1-CE1 3.85Å; Y170-Y183 HydrophobicContact CD1-CE1 4.5Å; Y170-Y183 HydrophobicContact CE1-CE1 4.09Å; I172-Y183 HydrophobicContact CD1-CE1 3.78Å; I172-Y183 WeakPolarHBondContact CD1-OH 3.28Å; F175-Y183 HydrophobicContact CE2-CE2 4.15Å; H179-Y183 WeakPolarHBondContact O-CE2 3.43Å; H179-Y183 PolarHBondContact O-OH 2.92Å; Y183-S198 CarbonylContact O-C 3.56Å; Y183-S198 WeakPolarHBondContact O-CA 3.4Å; Y183-L199 PolarHBondContact N-O 3.14Å; Y183-L199 PolarHBondContact O-N 2.99Å; Y183-L201 HydrophobicContact CD2-CB 4.37Å; Y183-L201 HydrophobicContact CD2-CD1 3.8Å; Y183-L201 HydrophobicContact CD2-CG 3.97Å; Y183-L201 HydrophobicContact CE2-CB 4.21Å; Y183-L201 HydrophobicContact CE2-CD1 3.75Å; Y183-L201 HydrophobicContact CE2-CG 4.17Å |
| 184 | V | 93.6 | Very high | 87.3 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 16% | 0.164 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.5 | 180 | -174 | 0 | 0 | 0 | 0 | 109 | T151 T182 K186 T196 Q197 | T151-V184 PolarHBondContact N-O 2.82Å; T151-V184 PolarHBondContact O-N 3.48Å; T151-V184 WeakPolarHBondContact OG1-CB 3.49Å; T151-V184 PolarHBondContact OG1-O 2.95Å; T182-V184 HydrophobicContact CG2-CG2 4.12Å; V184-K186 HydrophobicContact CG1-CG 4.27Å; V184-T196 HydrophobicContact CG1-CG2 3.48Å; V184-T196 VanDerWaalsContact CG1-CG2 3.48Å; V184-Q197 CarbonylContact C-O 3.05Å; V184-Q197 WeakPolarHBondContact CA-O 3.41Å |
| 185 | C | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.6 | 170.5 | 172.4 | 0 | 0 | 0 | 0 | 109.2 | L116 C135 V148 E149 W150 T196 Q197 | L116-C185 HydrophobicContact CD2-CB 3.75Å; C135-C185 HydrophobicContact CB-CB 3.52Å; C135-C185 WeakPolarHBondContact CB-SG 2.94Å; C135-C185 WeakPolarHBondContact SG-CB 3.24Å; C135-C185 CovalentContact SG-SG 2.02Å; C135-C185 PolarHBondContact SG-SG 2.81Å; V148-C185 WeakPolarHBondContact CG1-SG 3.36Å; E149-C185 CarbonylContact O-C 3.52Å; E149-C185 WeakPolarHBondContact O-CA 3.31Å; W150-C185 HydrophobicContact CD2-CB 4.26Å; W150-C185 HydrophobicContact CE3-CB 3.97Å; W150-C185 HydrophobicContact CH2-CB 4.08Å; W150-C185 HydrophobicContact CZ2-CB 4.31Å; W150-C185 HydrophobicContact CZ3-CB 3.89Å; C185-T196 VanDerWaalsContact O-CA 3.31Å; C185-T196 WeakPolarHBondContact O-CA 3.27Å; C185-Q197 PolarHBondContact N-O 2.85Å; C185-Q197 PolarHBondContact O-N 3.29Å |
| 186 | K | 91.7 | Very high | 87.6 | Confident | 77 Ų | 77 | 39.8 Ų | 39.8 | 34% | 0.335 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 113.7 | 173 | -65.2 | -178.5 | -178.9 | 178 | 0 | 109.7 | V148 E149 V184 I194 F195 T196 | V148-K186 CarbonylContact C-O 3.51Å; V148-K186 WeakPolarHBondContact CA-O 3.34Å; E149-K186 HydrophobicContact CB-CB 4.4Å; E149-K186 PolarHBondContact N-O 2.8Å; E149-K186 PolarHBondContact O-N 2.84Å; V184-K186 HydrophobicContact CG1-CG 4.27Å; K186-I194 HydrophobicContact CB-CG2 4.22Å; K186-I194 HydrophobicContact CG-CG2 4.48Å; K186-F195 CarbonylContact C-O 3.57Å; K186-F195 WeakPolarHBondContact CA-O 3.49Å; K186-T196 HydrophobicContact CG-CG2 4.17Å |
| 187 | V | 89.9 | Confident | 87.9 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113 | 173.6 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | P138 L142 L146 T147 V148 I194 F195 | P138-V187 HydrophobicContact CG-CG1 4.34Å; L142-V187 HydrophobicContact CD2-CG1 4.48Å; L146-V187 HydrophobicContact CB-CG1 3.9Å; L146-V187 HydrophobicContact CD1-CG1 3.9Å; L146-V187 HydrophobicContact CD2-CG1 4.13Å; L146-V187 HydrophobicContact CG-CG1 4.19Å; T147-V187 CarbonylContact O-C 3.55Å; T147-V187 VanDerWaalsContact O-CA 3.3Å; T147-V187 WeakPolarHBondContact O-CA 3.38Å; V148-V187 HydrophobicContact CG1-CG2 4.41Å; V148-V187 HydrophobicContact CG2-CG1 4.32Å; V148-V187 HydrophobicContact CG2-CG2 4.06Å; V187-I194 CarbonylContact O-C 3.47Å; V187-I194 WeakPolarHBondContact O-CA 3.28Å; V187-F195 HydrophobicContact CB-CB 4.21Å; V187-F195 HydrophobicContact CB-CD1 4.14Å; V187-F195 HydrophobicContact CG2-CD1 3.87Å; V187-F195 PolarHBondContact N-O 3.21Å; V187-F195 PolarHBondContact O-N 2.94Å |
| 188 | K | 88.4 | Confident | 88.2 | Confident | 56 Ų | 56 | 35.8 Ų | 35.8 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.1 | -174.9 | -60 | -176.5 | -178.1 | 170.7 | 0 | 111.8 | L146 T147 E149 A193 I194 | L146-K188 WeakPolarHBondContact CA-O 3.5Å; T147-K188 PolarHBondContact N-O 2.81Å; T147-K188 PolarHBondContact O-N 3.49Å; T147-K188 PolarHBondContact OG1-O 2.95Å; E149-K188 VanDerWaalsContact CD-CE 3.5Å; E149-K188 WeakPolarHBondContact OE1-CE 3.39Å; E149-K188 IonicContact OE1-NZ 3.22Å; E149-K188 PolarHBondContact OE1-NZ 3.02Å; E149-K188 WeakPolarHBondContact OE2-CE 3.41Å; E149-K188 IonicContact OE2-NZ 3.92Å; E149-K188 PolarHBondContact OE2-NZ 3.03Å; K188-A193 WeakPolarHBondContact CA-O 3.41Å; K188-I194 HydrophobicContact CG-CG1 4.22Å; K188-I194 HydrophobicContact CG-CG2 4.36Å |
| 189 | R | 86 | Confident | 88.5 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 18% | 0.177 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 151.1 | 165.5 | -174.8 | 171.5 | 63.8 | -174.5 | 6 | 109.9 | A103 N141 L142 L146 D191 G192 A193 | A103-R189 PolarHBondContact O-NH1 2.85Å; A103-R189 PolarHBondContact O-NH2 3.46Å; N141-R189 PolarHBondContact O-NH1 3.31Å; L142-R189 VanDerWaalsContact O-CD 3.27Å; L142-R189 WeakPolarHBondContact O-CD 3.2Å; L142-R189 PolarHBondContact O-NH1 3.18Å; L146-R189 HydrophobicContact CD2-CB 4.11Å; R189-D191 WeakPolarHBondContact CB-OD1 3.37Å; R189-D191 VanDerWaalsContact CG-OD1 3.29Å; R189-D191 WeakPolarHBondContact CG-OD1 3.49Å; R189-D191 IonicContact CZ-OD1 2.98Å; R189-D191 IonicContact CZ-OD2 3.92Å; R189-D191 IonicContact NE-OD1 2.96Å; R189-D191 PolarHBondContact NE-OD1 3.4Å; R189-D191 IonicContact NE-OD2 3.19Å; R189-D191 PolarHBondContact NE-OD2 3.44Å; R189-D191 IonicContact NH2-OD1 3.8Å; R189-D191 IonicContact NH2-OD2 2.76Å; R189-D191 PolarHBondContact NH2-OD2 3.47Å; R189-D191 PolarHBondContact O-N 3.11Å; R189-D191 VanDerWaalsContact O-N 3.09Å; R189-G192 PolarHBondContact O-N 2.78Å; R189-A193 HydrophobicContact CB-CB 4.1Å; R189-A193 PolarHBondContact N-O 3Å |
| 190 | K | 80.7 | Confident | 88.6 | Confident | 175 Ų | 175 | 38.1 Ų | 38.1 | 76% | 0.761 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -27.5 | -178 | -76.8 | -177.1 | 176.2 | 157.4 | 0 | 115.8 | D145 G192 | D145-K190 IonicContact OD1-NZ 3.5Å; D145-K190 VanDerWaalsContact OD2-CD 3.27Å; D145-K190 WeakPolarHBondContact OD2-CD 3.44Å; D145-K190 WeakPolarHBondContact OD2-CE 3.46Å; D145-K190 IonicContact OD2-NZ 2.74Å; D145-K190 PolarHBondContact OD2-NZ 3.36Å; K190-G192 VanDerWaalsContact C-N 3.28Å |
| 191 | D | 78.3 | Confident | 88.7 | Confident | 77 Ų | 77 | 35.8 Ų | 35.8 | 41% | 0.412 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -0.2 | -179.1 | 70 | -22 | 0 | 0 | 0 | 113.8 | P107 R189 A193 | P107-D191 WeakPolarHBondContact CB-O 3.18Å; R189-D191 WeakPolarHBondContact CB-OD1 3.37Å; R189-D191 VanDerWaalsContact CG-OD1 3.29Å; R189-D191 WeakPolarHBondContact CG-OD1 3.49Å; R189-D191 IonicContact CZ-OD1 2.98Å; R189-D191 IonicContact CZ-OD2 3.92Å; R189-D191 IonicContact NE-OD1 2.96Å; R189-D191 PolarHBondContact NE-OD1 3.4Å; R189-D191 IonicContact NE-OD2 3.19Å; R189-D191 PolarHBondContact NE-OD2 3.44Å; R189-D191 IonicContact NH2-OD1 3.8Å; R189-D191 IonicContact NH2-OD2 2.76Å; R189-D191 PolarHBondContact NH2-OD2 3.47Å; R189-D191 PolarHBondContact O-N 3.11Å; R189-D191 VanDerWaalsContact O-N 3.09Å; D191-A193 PolarHBondContact OD1-N 2.85Å; D191-A193 VanDerWaalsContact OD1-N 3.16Å |
| 192 | G | 78.5 | Confident | 88.7 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 99.3 | 1.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N29 R189 K190 I194 | N29-G192 WeakPolarHBondContact CB-O 3.46Å; N29-G192 PolarHBondContact ND2-O 3.47Å; R189-G192 PolarHBondContact O-N 2.78Å; K190-G192 VanDerWaalsContact C-N 3.28Å; G192-I194 WeakPolarHBondContact O-CG1 3.33Å |
| 193 | A | 84.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -66.5 | 135.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P107 V108 L142 K188 R189 D191 | P107-A193 HydrophobicContact CB-CB 4.42Å; V108-A193 WeakPolarHBondContact O-CA 3.41Å; L142-A193 HydrophobicContact CD1-CB 3.94Å; K188-A193 WeakPolarHBondContact CA-O 3.41Å; R189-A193 HydrophobicContact CB-CB 4.1Å; R189-A193 PolarHBondContact N-O 3Å; D191-A193 PolarHBondContact OD1-N 2.85Å; D191-A193 VanDerWaalsContact OD1-N 3.16Å | ||
| 194 | I | 87.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 15% | 0.154 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135 | -177.3 | -51.8 | -176 | 0 | 0 | 0 | 109 | V108 F110 K186 V187 K188 G192 | V108-I194 PolarHBondContact O-N 2.83Å; F110-I194 WeakPolarHBondContact CB-O 3.26Å; F110-I194 PolarHBondContact N-O 2.81Å; K186-I194 HydrophobicContact CB-CG2 4.22Å; K186-I194 HydrophobicContact CG-CG2 4.48Å; V187-I194 CarbonylContact O-C 3.47Å; V187-I194 WeakPolarHBondContact O-CA 3.28Å; K188-I194 HydrophobicContact CG-CG1 4.22Å; K188-I194 HydrophobicContact CG-CG2 4.36Å; G192-I194 WeakPolarHBondContact O-CG1 3.33Å |
| 195 | F | 88.3 | Confident | 87.3 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.2 | 168.4 | 167.6 | -90.4 | 0 | 0 | 0 | 109.3 | F110 P138 P139 L142 K186 V187 Q197 | F110-F195 HydrophobicContact CB-CD2 4.3Å; F110-F195 AromaticContact CD1-CD2 3.14Å; F110-F195 HydrophobicContact CD1-CD2 3.14Å; F110-F195 AromaticContact CD1-CE2 3.44Å; F110-F195 HydrophobicContact CD1-CE2 3.44Å; F110-F195 VanDerWaalsContact CD1-CE2 3.44Å; F110-F195 HydrophobicContact CD1-CG 4.25Å; F110-F195 AromaticContact CE1-CD2 3.57Å; F110-F195 HydrophobicContact CE1-CD2 3.57Å; F110-F195 AromaticContact CE1-CE2 3.34Å; F110-F195 HydrophobicContact CE1-CE2 3.34Å; F110-F195 AromaticContact CG-CD2 3.88Å; F110-F195 HydrophobicContact CG-CD2 3.88Å; F110-F195 HydrophobicContact CG-CE2 4.49Å; F110-F195 HydrophobicContact CZ-CE2 4.33Å; F110-F195 CarbonylContact O-C 3.54Å; F110-F195 WeakPolarHBondContact O-CA 3.27Å; P138-F195 HydrophobicContact CB-CB 4.3Å; P138-F195 HydrophobicContact CB-CD1 3.89Å; P138-F195 HydrophobicContact CB-CD2 4.32Å; P138-F195 HydrophobicContact CB-CE1 4.27Å; P138-F195 HydrophobicContact CB-CG 3.92Å; P139-F195 HydrophobicContact CG-CD2 4.1Å; P139-F195 HydrophobicContact CG-CE2 4.27Å; L142-F195 HydrophobicContact CD2-CB 3.63Å; K186-F195 CarbonylContact C-O 3.57Å; K186-F195 WeakPolarHBondContact CA-O 3.49Å; V187-F195 HydrophobicContact CB-CB 4.21Å; V187-F195 HydrophobicContact CB-CD1 4.14Å; V187-F195 HydrophobicContact CG2-CD1 3.87Å; V187-F195 PolarHBondContact N-O 3.21Å; V187-F195 PolarHBondContact O-N 2.94Å; F195-Q197 HydrophobicContact CE1-CG 3.54Å; F195-Q197 HydrophobicContact CZ-CG 3.54Å |
| 196 | T | 90.1 | Very high | 86.7 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 10% | 0.104 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.8 | -173.1 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | F110 S112 V184 C185 K186 | F110-T196 PolarHBondContact O-N 3Å; S112-T196 PolarHBondContact N-O 3.01Å; V184-T196 HydrophobicContact CG1-CG2 3.48Å; V184-T196 VanDerWaalsContact CG1-CG2 3.48Å; C185-T196 VanDerWaalsContact O-CA 3.31Å; C185-T196 WeakPolarHBondContact O-CA 3.27Å; K186-T196 HydrophobicContact CG-CG2 4.17Å |
| 197 | Q | 91.8 | Very high | 86.3 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 143.4 | 167.9 | -73 | -173.7 | -60.3 | 0 | 0 | 110 | K114 L116 V184 C185 F195 | K114-Q197 WeakPolarHBondContact O-CG 3.27Å; K114-Q197 PolarHBondContact O-NE2 3.4Å; L116-Q197 HydrophobicContact CD2-CB 3.61Å; L116-Q197 HydrophobicContact CG-CB 4Å; V184-Q197 CarbonylContact C-O 3.05Å; V184-Q197 WeakPolarHBondContact CA-O 3.41Å; C185-Q197 PolarHBondContact N-O 2.85Å; C185-Q197 PolarHBondContact O-N 3.29Å; F195-Q197 HydrophobicContact CE1-CG 3.54Å; F195-Q197 HydrophobicContact CZ-CG 3.54Å |
| 198 | S | 92 | Very high | 86 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 153.5 | 179.4 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | E115 L116 Y183 | E115-S198 WeakPolarHBondContact CA-O 3.4Å; E115-S198 WeakPolarHBondContact CB-O 3.36Å; L116-S198 PolarHBondContact N-O 2.52Å; Y183-S198 CarbonylContact O-C 3.56Å; Y183-S198 WeakPolarHBondContact O-CA 3.4Å |
| 199 | L | 92.9 | Very high | 85.9 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 132.9 | 172.2 | 177.2 | 65.7 | 0 | 0 | 0 | 109.2 | E115 L116 P122 L133 Y183 L201 | E115-L199 HydrophobicContact CB-CD1 4.29Å; E115-L199 WeakPolarHBondContact OE2-CD1 3.41Å; L116-L199 HydrophobicContact CB-CB 3.78Å; L116-L199 HydrophobicContact CB-CD2 4.25Å; L116-L199 HydrophobicContact CD1-CB 3.96Å; L116-L199 HydrophobicContact CG-CB 4.2Å; P122-L199 HydrophobicContact CB-CD1 4.27Å; P122-L199 HydrophobicContact CG-CD1 4Å; P122-L199 HydrophobicContact CG-CD2 4.04Å; L133-L199 HydrophobicContact CD2-CD2 3.96Å; Y183-L199 PolarHBondContact N-O 3.14Å; Y183-L199 PolarHBondContact O-N 2.99Å; L199-L201 HydrophobicContact CD2-CD2 3.58Å; L199-L201 HydrophobicContact CD2-CG 4.47Å; L199-L201 HydrophobicContact CG-CD2 3.79Å; L199-L201 HydrophobicContact CG-CG 4.46Å |
| 200 | S | 91.6 | Very high | 86.1 | Confident | 71 Ų | 71 | 43 Ų | 43 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.3 | 173 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | G181 T182 | G181-S200 WeakPolarHBondContact O-CA 3.25Å; T182-S200 PolarHBondContact OG1-OG 3.37Å |
| 201 | L | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.3 | 178.9 | -57.4 | -178.9 | 0 | 0 | 0 | 109.9 | P122 I125 V131 L133 F175 G181 Y183 L199 | P122-L201 HydrophobicContact CB-CD2 3.93Å; P122-L201 HydrophobicContact CG-CD2 4.32Å; I125-L201 HydrophobicContact CD1-CB 4.28Å; I125-L201 HydrophobicContact CD1-CD1 4.46Å; I125-L201 HydrophobicContact CD1-CD2 3.82Å; I125-L201 HydrophobicContact CD1-CG 4.42Å; V131-L201 HydrophobicContact CG1-CD1 4.08Å; L133-L201 HydrophobicContact CD1-CD1 4.16Å; L133-L201 HydrophobicContact CD2-CD1 4.06Å; L133-L201 HydrophobicContact CG-CD1 4.49Å; F175-L201 HydrophobicContact CD2-CD1 4.42Å; F175-L201 HydrophobicContact CE1-CB 4.39Å; F175-L201 HydrophobicContact CE2-CB 4.08Å; F175-L201 HydrophobicContact CE2-CD1 3.63Å; F175-L201 HydrophobicContact CZ-CB 3.57Å; F175-L201 HydrophobicContact CZ-CD1 4.01Å; F175-L201 HydrophobicContact CZ-CG 4.49Å; G181-L201 PolarHBondContact N-O 3.4Å; G181-L201 PolarHBondContact O-N 3.41Å; Y183-L201 HydrophobicContact CD2-CB 4.37Å; Y183-L201 HydrophobicContact CD2-CD1 3.8Å; Y183-L201 HydrophobicContact CD2-CG 3.97Å; Y183-L201 HydrophobicContact CE2-CB 4.21Å; Y183-L201 HydrophobicContact CE2-CD1 3.75Å; Y183-L201 HydrophobicContact CE2-CG 4.17Å; L199-L201 HydrophobicContact CD2-CD2 3.58Å; L199-L201 HydrophobicContact CD2-CG 4.47Å; L199-L201 HydrophobicContact CG-CD2 3.79Å; L199-L201 HydrophobicContact CG-CG 4.46Å |
| 202 | T | 89.1 | Confident | 87.1 | Confident | 85 Ų | 85 | 33 Ų | 33 | 52% | 0.521 | 20% | 0.204 | S | C | . | . | trans | -136.4 | 132.7 | 175 | 54.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 203 | S | 86.9 | Confident | 87.7 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 16% | 0.161 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 147.7 | 177.6 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | K177 D180 | K177-S203 VanDerWaalsContact CA-OG 3.27Å; K177-S203 WeakPolarHBondContact CA-OG 3.43Å; K177-S203 PolarHBondContact N-OG 3.25Å; D180-S203 VanDerWaalsContact CG-N 3.34Å; D180-S203 WeakPolarHBondContact OD1-CB 3.24Å; D180-S203 PolarHBondContact OD1-N 3.42Å; D180-S203 PolarHBondContact OD1-OG 3.09Å; D180-S203 PolarHBondContact OD2-N 3.45Å; D180-S203 VanDerWaalsContact OD2-N 3.16Å; D180-S203 PolarHBondContact OD2-OG 3.04Å |
| 204 | K | 82.7 | Confident | 88.1 | Confident | 111 Ų | 111 | 34.2 Ų | 34.2 | 48% | 0.483 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 140.4 | 163.7 | -65.5 | -175.3 | 179.4 | -177.4 | 0 | 108.5 | I125 A127 A206 | I125-K204 PolarHBondContact O-N 2.9Å; A127-K204 PolarHBondContact N-O 3.13Å; K204-A206 PolarHBondContact O-N 3.4Å |
| 205 | A | 78.3 | Confident | 88.4 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 51% | 0.512 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 138.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y234 | A205-Y234 VanDerWaalsContact O-CE2 3.31Å; A205-Y234 WeakPolarHBondContact O-CE2 3.46Å; A205-Y234 PolarHBondContact O-OH 3.41Å |
| 206 | A | 79.9 | Confident | 88.5 | Confident | 31 Ų | 31 | 36.4 Ų | 36.4 | 26% | 0.256 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -61.4 | 151.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | I126 K204 Q208 N231 | I126-A206 HydrophobicContact CG2-CB 4.08Å; K204-A206 PolarHBondContact O-N 3.4Å; A206-Q208 PolarHBondContact O-N 2.84Å; A206-Q208 VanDerWaalsContact O-N 3.16Å; A206-N231 PolarHBondContact O-ND2 3.46Å |
| 207 | P | 84.1 | Confident | 88.6 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | trans | -65 | 115.9 | 177.8 | 24.5 | -30.8 | 0 | 0 | 0 | 110.6 | V230 N231 Y234 V271 D277 | P207-V230 HydrophobicContact CB-CG2 4.1Å; P207-N231 WeakPolarHBondContact CA-OD1 3.34Å; P207-Y234 HydrophobicContact CB-CD1 4.04Å; P207-Y234 HydrophobicContact CB-CD2 4.05Å; P207-Y234 HydrophobicContact CB-CE1 4.13Å; P207-Y234 HydrophobicContact CB-CE2 4.17Å; P207-Y234 HydrophobicContact CB-CG 4Å; P207-Y234 HydrophobicContact CG-CE1 4.33Å; P207-V271 HydrophobicContact CB-CG2 3.85Å; P207-V271 HydrophobicContact CG-CG2 4.42Å; P207-D277 HydrophobicContact CG-CB 3.9Å; P207-D277 WeakPolarHBondContact CG-OD2 3.41Å | ||
| 208 | Q | 83.3 | Confident | 88.6 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | trans | -99.8 | 95.6 | 176.6 | -68.8 | -61.1 | -42.3 | 0 | 0 | 109 | A206 V230 N231 | A206-Q208 PolarHBondContact O-N 2.84Å; A206-Q208 VanDerWaalsContact O-N 3.16Å; Q208-V230 WeakPolarHBondContact O-CA 3.4Å; Q208-N231 HydrophobicContact CB-CB 4.44Å; Q208-N231 PolarHBondContact N-OD1 3.07Å; Q208-N231 PolarHBondContact O-N 3.27Å | ||
| 209 | I | 87.6 | Confident | 88.5 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.046 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.4 | -179.5 | -51.5 | 170.2 | 0 | 0 | 0 | 109.1 | V211 S229 V230 V271 D277 K279 | I209-V211 HydrophobicContact CG2-CG1 4.24Å; I209-S229 CarbonylContact C-O 3.52Å; I209-S229 WeakPolarHBondContact CA-O 3.4Å; I209-V230 HydrophobicContact CG1-CG2 4.29Å; I209-V271 HydrophobicContact CD1-CG2 3.82Å; I209-V271 HydrophobicContact CG1-CG2 4.07Å; I209-D277 VanDerWaalsContact CD1-C 3.41Å; I209-D277 HydrophobicContact CD1-CB 4.3Å; I209-D277 WeakPolarHBondContact CD1-O 3.32Å; I209-K279 HydrophobicContact CB-CB 4.48Å; I209-K279 HydrophobicContact CB-CD 4.43Å; I209-K279 HydrophobicContact CB-CG 4.17Å; I209-K279 HydrophobicContact CG2-CB 4.04Å; I209-K279 HydrophobicContact CG2-CG 4.26Å; I209-K279 WeakPolarHBondContact O-CD 3.35Å; I209-K279 WeakPolarHBondContact O-CE 3.27Å; I209-K279 PolarHBondContact O-NZ 3.44Å |
| 210 | T | 89.2 | Confident | 88.3 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.8 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 109.1 | C228 S229 | T210-C228 CarbonylContact O-C 3.56Å; T210-C228 WeakPolarHBondContact O-CA 3.28Å; T210-S229 PolarHBondContact N-O 2.84Å; T210-S229 PolarHBondContact O-N 3.48Å; T210-S229 PolarHBondContact O-OG 2.78Å |
| 211 | V | 90.8 | Very high | 88 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.8 | -178.6 | -63.3 | 0 | 0 | 0 | 0 | 110.6 | I209 V214 Q227 C228 C269 K279 I281 S309 | I209-V211 HydrophobicContact CG2-CG1 4.24Å; V211-V214 HydrophobicContact CG2-CB 4.48Å; V211-V214 HydrophobicContact CG2-CG2 4.04Å; V211-V214 VanDerWaalsContact O-CG2 3.29Å; V211-V214 WeakPolarHBondContact O-CG2 3.32Å; V211-Q227 CarbonylContact C-O 3.54Å; V211-Q227 VanDerWaalsContact CA-O 3.26Å; V211-Q227 WeakPolarHBondContact CA-O 3.44Å; V211-C228 HydrophobicContact CG1-CB 4.12Å; V211-C269 HydrophobicContact CG1-CB 3.97Å; V211-K279 HydrophobicContact CG1-CB 3.85Å; V211-K279 HydrophobicContact CG2-CB 4.13Å; V211-K279 HydrophobicContact CG2-CD 4.19Å; V211-I281 HydrophobicContact CB-CD1 3.8Å; V211-I281 HydrophobicContact CB-CG1 3.55Å; V211-I281 HydrophobicContact CG1-CD1 4.09Å; V211-I281 HydrophobicContact CG1-CG1 3.96Å; V211-I281 HydrophobicContact CG2-CG1 3.79Å; V211-S309 WeakPolarHBondContact O-CB 3.42Å |
| 212 | N | 90.4 | Very high | 87.9 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 129.3 | 178.1 | -160.4 | 44.4 | 0 | 0 | 0 | 111.5 | V226 Q227 S309 | N212-V226 WeakPolarHBondContact O-CA 3.49Å; N212-Q227 HydrophobicContact CB-CB 4.41Å; N212-Q227 PolarHBondContact N-O 3.2Å; N212-Q227 PolarHBondContact O-N 2.69Å; N212-S309 WeakPolarHBondContact CB-OG 3.32Å; N212-S309 PolarHBondContact OD1-N 3.04Å; N212-S309 VanDerWaalsContact OD1-N 3.14Å; N212-S309 PolarHBondContact OD1-OG 3.2Å |
| 213 | P | 91.1 | Very high | 88 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | cis | -61.2 | 158.9 | -14.9 | 29.3 | -35.5 | 0 | 0 | 0 | 111.2 | I281 L283 | P213-I281 VanDerWaalsContact O-CG2 3.32Å; P213-I281 WeakPolarHBondContact O-CG2 3.4Å; P213-L283 HydrophobicContact CG-CD2 3.98Å | ||
| 214 | V | 91.4 | Very high | 88.1 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 24% | 0.242 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -80 | -46.2 | 165.5 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | V211 T282 V307 | V211-V214 HydrophobicContact CG2-CB 4.48Å; V211-V214 HydrophobicContact CG2-CG2 4.04Å; V211-V214 VanDerWaalsContact O-CG2 3.29Å; V211-V214 WeakPolarHBondContact O-CG2 3.32Å; V214-T282 PolarHBondContact O-N 3.26Å; V214-V307 WeakPolarHBondContact CA-O 3.25Å; V214-V307 HydrophobicContact CB-CB 4.05Å; V214-V307 HydrophobicContact CB-CG1 3.73Å; V214-V307 WeakPolarHBondContact CB-O 3.23Å; V214-V307 HydrophobicContact CG1-CB 4.49Å; V214-V307 HydrophobicContact CG1-CG1 4.04Å; V214-V307 HydrophobicContact CG2-CG1 4.23Å; V214-V307 PolarHBondContact N-O 3.4Å |
| 215 | R | 93.4 | Very high | 88.5 | Confident | 81 Ų | 81 | 35.5 Ų | 35.5 | 31% | 0.306 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 123.2 | 171 | -167 | -176.2 | -172.3 | -165.7 | 3.1 | 108.8 | E264 T282 F304 V307 | R215-E264 IonicContact NH2-OE1 3.64Å; R215-T282 WeakPolarHBondContact CA-O 3.31Å; R215-F304 HydrophobicContact CG-CZ 4.04Å; R215-V307 HydrophobicContact CB-CB 3.82Å; R215-V307 HydrophobicContact CB-CG2 3.86Å; R215-V307 PolarHBondContact N-O 3.45Å; R215-V307 PolarHBondContact O-N 2.8Å |
| 216 | G | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | -180 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T282 L283 E284 S298 | G216-T282 PolarHBondContact N-O 3.33Å; G216-L283 CarbonylContact O-C 3.59Å; G216-L283 VanDerWaalsContact O-CA 3.28Å; G216-L283 WeakPolarHBondContact O-CA 3.43Å; G216-E284 PolarHBondContact O-N 3.5Å; G216-S298 VanDerWaalsContact CA-OG 3.27Å; G216-S298 WeakPolarHBondContact CA-OG 3.36Å |
| 217 | T | 91.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 163.3 | 170.8 | 85.7 | 0 | 0 | 0 | 0 | 112.7 | E284 I286 S298 A299 F304 | T217-E284 CarbonylContact C-O 3.57Å; T217-E284 WeakPolarHBondContact CA-O 3.35Å; T217-E284 VanDerWaalsContact CB-O 3.26Å; T217-E284 WeakPolarHBondContact CB-O 3.49Å; T217-E284 HydrophobicContact CG2-CB 4.23Å; T217-I286 HydrophobicContact CG2-CD1 4.28Å; T217-I286 HydrophobicContact CG2-CG2 4.17Å; T217-I286 WeakPolarHBondContact OG1-CD1 3.38Å; T217-S298 PolarHBondContact N-OG 2.92Å; T217-S298 PolarHBondContact O-OG 2.84Å; T217-S298 VanDerWaalsContact O-OG 3.13Å; T217-A299 WeakPolarHBondContact CB-O 3.04Å; T217-A299 WeakPolarHBondContact CG2-O 3.45Å; T217-A299 PolarHBondContact OG1-O 3.21Å; T217-F304 HydrophobicContact CG2-CD1 3.73Å; T217-F304 HydrophobicContact CG2-CD2 3.86Å; T217-F304 HydrophobicContact CG2-CE1 3.55Å; T217-F304 HydrophobicContact CG2-CE2 3.7Å; T217-F304 HydrophobicContact CG2-CG 3.88Å; T217-F304 HydrophobicContact CG2-CZ 3.53Å |
| 218 | V | 91 | Very high | 90 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 132.4 | 169.7 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | V224 Y254 A256 L283 E284 L285 I286 | V218-V224 HydrophobicContact CB-CB 4.18Å; V218-V224 HydrophobicContact CB-CG1 3.8Å; V218-V224 HydrophobicContact CG2-CB 4.11Å; V218-V224 HydrophobicContact CG2-CG1 3.94Å; V218-Y254 HydrophobicContact CG1-CD1 4.29Å; V218-Y254 HydrophobicContact CG1-CE1 4.19Å; V218-A256 HydrophobicContact CG1-CB 4Å; V218-A256 HydrophobicContact CG2-CB 3.88Å; V218-L283 HydrophobicContact CG1-CB 4.48Å; V218-E284 PolarHBondContact N-O 3.41Å; V218-L285 HydrophobicContact CG1-CD1 3.8Å; V218-L285 HydrophobicContact CG1-CG 3.89Å; V218-L285 WeakPolarHBondContact O-CA 3.23Å; V218-I286 PolarHBondContact O-N 3Å |
| 219 | Q | 90.3 | Very high | 90.4 | Very high | 94 Ų | 94 | 30.5 Ų | 30.5 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 139 | 176.8 | -168.9 | 176.1 | 12.6 | 0 | 0 | 110.7 | G221 G222 I286 K287 V289 | Q219-G221 PolarHBondContact O-N 3.06Å; Q219-G222 VanDerWaalsContact O-CA 3.31Å; Q219-G222 WeakPolarHBondContact O-CA 3.23Å; Q219-G222 PolarHBondContact O-N 2.77Å; Q219-I286 CarbonylContact C-O 3.6Å; Q219-I286 VanDerWaalsContact CA-O 3.28Å; Q219-I286 WeakPolarHBondContact CA-O 3.27Å; Q219-K287 PolarHBondContact NE2-O 2.85Å; Q219-V289 HydrophobicContact CB-CG2 4.03Å; Q219-V289 HydrophobicContact CG-CG2 4.06Å |
| 220 | C | 89.3 | Confident | 90.4 | Very high | 26 Ų | 26 | 30.5 Ų | 30.5 | 18% | 0.176 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 130.2 | 173 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | G222 C260 I286 | C220-G222 PolarHBondContact O-N 2.81Å; C220-C260 WeakPolarHBondContact CA-SG 3.5Å; C220-C260 HydrophobicContact CB-CB 4.12Å; C220-C260 WeakPolarHBondContact CB-SG 3.36Å; C220-C260 VanDerWaalsContact SG-C 3.59Å; C220-C260 VanDerWaalsContact SG-CA 3.51Å; C220-C260 WeakPolarHBondContact SG-CB 3.48Å; C220-C260 PolarHBondContact SG-N 2.65Å; C220-C260 VanDerWaalsContact SG-N 3.42Å; C220-C260 PolarHBondContact SG-O 2.62Å; C220-C260 CovalentContact SG-SG 2.03Å; C220-C260 PolarHBondContact SG-SG 3.39Å; C220-I286 PolarHBondContact N-O 3.27Å |
| 221 | G | 86.3 | Confident | 90.1 | Very high | 41 Ų | 41 | 30 Ų | 30 | 42% | 0.423 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -5.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q219 A256 P257 D258 | Q219-G221 PolarHBondContact O-N 3.06Å; G221-A256 PolarHBondContact N-O 2.87Å; G221-P257 PolarHBondContact N-O 3.06Å; G221-D258 WeakPolarHBondContact CA-OD1 3.48Å |
| 222 | G | 88.9 | Confident | 89.7 | Confident | 25 Ų | 25 | 35.5 Ų | 35.5 | 26% | 0.258 | 22% | 0.217 | S | C | . | . | trans | -92.1 | -177.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q219 C220 A256 | Q219-G222 VanDerWaalsContact O-CA 3.31Å; Q219-G222 WeakPolarHBondContact O-CA 3.23Å; Q219-G222 PolarHBondContact O-N 2.77Å; C220-G222 PolarHBondContact O-N 2.81Å; G222-A256 PolarHBondContact O-N 2.82Å | ||
| 223 | S | 89.6 | Confident | 89.2 | Confident | 81 Ų | 81 | 37.3 Ų | 37.3 | 57% | 0.566 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.7 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | Y254 | S223-Y254 CarbonylContact C-O 3.59Å; S223-Y254 WeakPolarHBondContact CA-O 3.26Å; S223-Y254 WeakPolarHBondContact CB-O 3.47Å |
| 224 | V | 89.9 | Confident | 89.1 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.7 | 172.8 | 65.2 | 0 | 0 | 0 | 0 | 109.4 | V218 V226 Y254 L283 | V218-V224 HydrophobicContact CB-CB 4.18Å; V218-V224 HydrophobicContact CB-CG1 3.8Å; V218-V224 HydrophobicContact CG2-CB 4.11Å; V218-V224 HydrophobicContact CG2-CG1 3.94Å; V224-V226 HydrophobicContact CG1-CG1 4.4Å; V224-Y254 HydrophobicContact CG1-CD1 4.47Å; V224-Y254 PolarHBondContact N-O 2.77Å; V224-Y254 PolarHBondContact O-N 2.77Å; V224-L283 HydrophobicContact CG1-CD1 3.6Å; V224-L283 HydrophobicContact CG1-CD2 3.97Å; V224-L283 HydrophobicContact CG1-CG 4.42Å |
| 225 | S | 90.4 | Very high | 89 | Confident | 63 Ų | 63 | 41.1 Ų | 41.1 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.7 | 175 | -155.1 | 0 | 0 | 0 | 0 | 109 | D253 | S225-D253 WeakPolarHBondContact CA-OD1 3.29Å; S225-D253 WeakPolarHBondContact CB-OD1 3.38Å; S225-D253 PolarHBondContact OG-OD1 3.44Å |
| 226 | V | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.8 | 173.1 | -57.6 | 0 | 0 | 0 | 0 | 110 | N212 V224 F238 K251 Y252 I267 I281 L283 | N212-V226 WeakPolarHBondContact O-CA 3.49Å; V224-V226 HydrophobicContact CG1-CG1 4.4Å; V226-F238 HydrophobicContact CG2-CE1 4.32Å; V226-F238 HydrophobicContact CG2-CZ 4.04Å; V226-K251 CarbonylContact O-C 3.6Å; V226-K251 WeakPolarHBondContact O-CA 3.49Å; V226-Y252 HydrophobicContact CG2-CD1 3.99Å; V226-Y252 HydrophobicContact CG2-CG 4.48Å; V226-Y252 VanDerWaalsContact CG2-O 3.22Å; V226-Y252 WeakPolarHBondContact CG2-O 3.43Å; V226-Y252 PolarHBondContact N-O 3.44Å; V226-Y252 PolarHBondContact O-N 2.84Å; V226-I267 HydrophobicContact CG1-CD1 4.18Å; V226-I267 HydrophobicContact CG2-CD1 3.94Å; V226-I281 HydrophobicContact CB-CD1 3.86Å; V226-I281 HydrophobicContact CG1-CD1 4.47Å; V226-I281 HydrophobicContact CG1-CG2 4.07Å; V226-I281 HydrophobicContact CG2-CD1 4.32Å; V226-L283 HydrophobicContact CG1-CD1 4.02Å; V226-L283 HydrophobicContact CG1-CD2 4.4Å |
| 227 | Q | 91.9 | Very high | 89 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 20% | 0.201 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.9 | -178.6 | 176.3 | 167.9 | -18.9 | 0 | 0 | 109.9 | V211 N212 E249 I250 K251 | V211-Q227 CarbonylContact C-O 3.54Å; V211-Q227 VanDerWaalsContact CA-O 3.26Å; V211-Q227 WeakPolarHBondContact CA-O 3.44Å; N212-Q227 HydrophobicContact CB-CB 4.41Å; N212-Q227 PolarHBondContact N-O 3.2Å; N212-Q227 PolarHBondContact O-N 2.69Å; Q227-E249 HydrophobicContact CG-CG 4.43Å; Q227-E249 PolarHBondContact NE2-OE1 3.19Å; Q227-I250 WeakPolarHBondContact CA-O 3.38Å; Q227-K251 HydrophobicContact CB-CG 4.3Å; Q227-K251 HydrophobicContact CG-CG 4.29Å; Q227-K251 VanDerWaalsContact OE1-CE 3.23Å |
| 228 | C | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.3 | 167.5 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | T210 V211 F238 E249 I250 C269 | T210-C228 CarbonylContact O-C 3.56Å; T210-C228 WeakPolarHBondContact O-CA 3.28Å; V211-C228 HydrophobicContact CG1-CB 4.12Å; C228-F238 HydrophobicContact CB-CE1 3.88Å; C228-F238 HydrophobicContact CB-CZ 3.81Å; C228-E249 CarbonylContact O-C 3.59Å; C228-E249 WeakPolarHBondContact O-CA 3.24Å; C228-I250 HydrophobicContact CB-CD1 4.27Å; C228-I250 HydrophobicContact CB-CG1 3.88Å; C228-I250 PolarHBondContact N-O 2.96Å; C228-I250 PolarHBondContact O-N 2.93Å; C228-C269 HydrophobicContact CB-CB 3.63Å; C228-C269 WeakPolarHBondContact CB-SG 3.44Å; C228-C269 WeakPolarHBondContact SG-CB 3.39Å; C228-C269 CovalentContact SG-SG 1.99Å; C228-C269 PolarHBondContact SG-SG 2.88Å |
| 229 | S | 90.1 | Very high | 89 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 161.4 | 177.2 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | I209 T210 L248 | I209-S229 CarbonylContact C-O 3.52Å; I209-S229 WeakPolarHBondContact CA-O 3.4Å; T210-S229 PolarHBondContact N-O 2.84Å; T210-S229 PolarHBondContact O-N 3.48Å; T210-S229 PolarHBondContact O-OG 2.78Å; S229-L248 CarbonylContact C-O 3.58Å; S229-L248 VanDerWaalsContact CA-O 3.23Å; S229-L248 WeakPolarHBondContact CA-O 3.3Å |
| 230 | V | 88.9 | Confident | 88.5 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.5 | 175 | 67.5 | 0 | 0 | 0 | 0 | 110.2 | P207 Q208 I209 Y234 V236 L248 V271 | P207-V230 HydrophobicContact CB-CG2 4.1Å; Q208-V230 WeakPolarHBondContact O-CA 3.4Å; I209-V230 HydrophobicContact CG1-CG2 4.29Å; V230-Y234 WeakPolarHBondContact CG1-O 3.31Å; V230-Y234 HydrophobicContact CG2-CD2 4.4Å; V230-Y234 HydrophobicContact CG2-CG 4.27Å; V230-V236 HydrophobicContact CB-CG1 3.66Å; V230-V236 HydrophobicContact CG1-CG1 3.77Å; V230-V236 HydrophobicContact CG1-CG2 4.29Å; V230-V236 HydrophobicContact CG2-CG1 4.38Å; V230-L248 PolarHBondContact N-O 2.83Å; V230-V271 HydrophobicContact CG2-CG2 4.48Å |
| 231 | N | 83.4 | Confident | 88 | Confident | 28 Ų | 28 | 47 Ų | 47 | 15% | 0.15 | 31% | 0.307 | C | S | . | . | trans | -59.7 | 156.9 | 173.4 | 61.2 | -36 | 0 | 0 | 0 | 112.7 | A206 P207 Q208 G233 Y234 | A206-N231 PolarHBondContact O-ND2 3.46Å; P207-N231 WeakPolarHBondContact CA-OD1 3.34Å; Q208-N231 HydrophobicContact CB-CB 4.44Å; Q208-N231 PolarHBondContact N-OD1 3.07Å; Q208-N231 PolarHBondContact O-N 3.27Å; N231-G233 PolarHBondContact O-N 3.23Å; N231-Y234 PolarHBondContact O-N 2.87Å | ||
| 232 | T | 81.1 | Confident | 86.7 | Confident | 119 Ų | 119 | 52 Ų | 52 | 73% | 0.73 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 135.6 | -176.8 | 53 | 0 | 0 | 0 | 0 | 112.2 | L248 | T232-L248 HydrophobicContact CG2-CD1 4.13Š|
| 233 | G | 80.7 | Confident | 85.3 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 80% | 0.804 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.5 | -8.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | N231 | N231-G233 PolarHBondContact O-N 3.23Š|
| 234 | Y | 87.8 | Confident | 84 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 11% | 0.114 | 34% | 0.337 | C | S | . | . | trans | -123.2 | 163 | 175.9 | -60.1 | -81.7 | 0 | 0 | 0 | 111.3 | A205 P207 V230 N231 V271 | A205-Y234 VanDerWaalsContact O-CE2 3.31Å; A205-Y234 WeakPolarHBondContact O-CE2 3.46Å; A205-Y234 PolarHBondContact O-OH 3.41Å; P207-Y234 HydrophobicContact CB-CD1 4.04Å; P207-Y234 HydrophobicContact CB-CD2 4.05Å; P207-Y234 HydrophobicContact CB-CE1 4.13Å; P207-Y234 HydrophobicContact CB-CE2 4.17Å; P207-Y234 HydrophobicContact CB-CG 4Å; P207-Y234 HydrophobicContact CG-CE1 4.33Å; V230-Y234 WeakPolarHBondContact CG1-O 3.31Å; V230-Y234 HydrophobicContact CG2-CD2 4.4Å; V230-Y234 HydrophobicContact CG2-CG 4.27Å; N231-Y234 PolarHBondContact O-N 2.87Å; Y234-V271 HydrophobicContact CD1-CG1 4.01Å | ||
| 235 | Q | 90.8 | Very high | 83.5 | Confident | 100 Ų | 100 | 60.2 Ų | 60.2 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | trans | -129.8 | 144.2 | 170 | -68.9 | -178.6 | -17.1 | 0 | 0 | 108.8 | P246 G247 V271 T272 | Q235-P246 HydrophobicContact CB-CB 4.42Å; Q235-G247 WeakPolarHBondContact CA-O 3.42Å; Q235-V271 CarbonylContact O-C 3.57Å; Q235-V271 WeakPolarHBondContact O-CA 3.49Å; Q235-T272 HydrophobicContact CB-CG2 4.21Å; Q235-T272 PolarHBondContact O-N 2.84Å; Q235-T272 PolarHBondContact O-OG1 3.44Å | ||
| 236 | V | 92.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 156.7 | 177.3 | -75.9 | 0 | 0 | 0 | 0 | 111.6 | V230 P246 G247 I250 Q270 V271 | V230-V236 HydrophobicContact CB-CG1 3.66Å; V230-V236 HydrophobicContact CG1-CG1 3.77Å; V230-V236 HydrophobicContact CG1-CG2 4.29Å; V230-V236 HydrophobicContact CG2-CG1 4.38Å; V236-P246 WeakPolarHBondContact O-CA 3.41Å; V236-G247 WeakPolarHBondContact CG2-O 3.42Å; V236-G247 PolarHBondContact N-O 2.76Å; V236-G247 PolarHBondContact O-N 3.44Å; V236-I250 HydrophobicContact CB-CD1 4.43Å; V236-I250 HydrophobicContact CG2-CD1 4.05Å; V236-I250 HydrophobicContact CG2-CG1 4.04Å; V236-Q270 CarbonylContact C-O 3.52Å; V236-Q270 VanDerWaalsContact CA-O 3.32Å; V236-Q270 WeakPolarHBondContact CA-O 3.31Å; V236-V271 HydrophobicContact CG1-CG2 4.31Å |
| 237 | Q | 92.6 | Very high | 83.3 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 154.9 | 172.1 | 67.8 | -178.6 | 30.7 | 0 | 0 | 110.2 | P246 Q270 T272 | Q237-P246 HydrophobicContact CB-CG 4.48Å; Q237-Q270 HydrophobicContact CG-CG 4.01Å; Q237-Q270 PolarHBondContact N-O 2.93Å; Q237-Q270 PolarHBondContact O-N 3.11Å; Q237-T272 HydrophobicContact CB-CG2 4.11Å; Q237-T272 HydrophobicContact CG-CG2 4Å |
| 238 | F | 92 | Very high | 83.2 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 135.3 | 170 | -67.1 | -67.9 | 0 | 0 | 0 | 111.6 | V226 C228 G240 L241 I250 I267 T268 C269 I281 | V226-F238 HydrophobicContact CG2-CE1 4.32Å; V226-F238 HydrophobicContact CG2-CZ 4.04Å; C228-F238 HydrophobicContact CB-CE1 3.88Å; C228-F238 HydrophobicContact CB-CZ 3.81Å; F238-G240 PolarHBondContact O-N 2.87Å; F238-L241 HydrophobicContact CB-CB 4.08Å; F238-L241 HydrophobicContact CB-CD1 3.67Å; F238-L241 HydrophobicContact CB-CG 4.14Å; F238-L241 HydrophobicContact CD2-CD1 4.41Å; F238-L241 HydrophobicContact CG-CD1 4.06Å; F238-I250 HydrophobicContact CD2-CD1 3.58Å; F238-I250 HydrophobicContact CD2-CG1 4.22Å; F238-I250 HydrophobicContact CE2-CB 4.39Å; F238-I250 HydrophobicContact CE2-CD1 3.57Å; F238-I250 HydrophobicContact CE2-CG1 3.69Å; F238-I250 HydrophobicContact CG-CD1 4.14Å; F238-I250 HydrophobicContact CZ-CD1 4.13Å; F238-I250 HydrophobicContact CZ-CG1 4.11Å; F238-I267 HydrophobicContact CD1-CG2 3.55Å; F238-I267 HydrophobicContact CE1-CG2 3.95Å; F238-I267 HydrophobicContact CG-CG2 4.33Å; F238-T268 WeakPolarHBondContact CA-O 3.28Å; F238-C269 HydrophobicContact CD1-CB 4.09Å; F238-C269 HydrophobicContact CE1-CB 4.04Å; F238-I281 HydrophobicContact CE1-CD1 4.15Å |
| 239 | K | 89.8 | Confident | 83.1 | Confident | 135 Ų | 135 | 66.2 Ų | 66.2 | 59% | 0.587 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 124.6 | 179.2 | -170 | 179.6 | 179.2 | 179 | 0 | 110.5 | L241 T268 | K239-L241 VanDerWaalsContact C-N 3.3Å; K239-L241 PolarHBondContact O-N 3.3Å; K239-T268 HydrophobicContact CB-CG2 4.36Å; K239-T268 HydrophobicContact CD-CG2 4.39Å; K239-T268 PolarHBondContact N-O 3.47Å |
| 240 | G | 78.8 | Confident | 83.2 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 80% | 0.804 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 3.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | F238 | F238-G240 PolarHBondContact O-N 2.87Š|
| 241 | L | 79.9 | Confident | 83.3 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | trans | -101.9 | 113.6 | 176.3 | -62.6 | 179.8 | 0 | 0 | 0 | 110.2 | F238 K239 L243 Y252 I267 | F238-L241 HydrophobicContact CB-CB 4.08Å; F238-L241 HydrophobicContact CB-CD1 3.67Å; F238-L241 HydrophobicContact CB-CG 4.14Å; F238-L241 HydrophobicContact CD2-CD1 4.41Å; F238-L241 HydrophobicContact CG-CD1 4.06Å; K239-L241 VanDerWaalsContact C-N 3.3Å; K239-L241 PolarHBondContact O-N 3.3Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 3.21Å; L241-Y252 HydrophobicContact CD1-CD1 3.66Å; L241-Y252 HydrophobicContact CD1-CD2 4.03Å; L241-Y252 HydrophobicContact CD1-CE1 3.64Å; L241-Y252 HydrophobicContact CD1-CE2 4.02Å; L241-Y252 HydrophobicContact CD1-CG 3.85Å; L241-Y252 HydrophobicContact CD2-CE1 4.28Å; L241-Y252 HydrophobicContact CD2-CE2 4.37Å; L241-I267 HydrophobicContact CD1-CG2 4.28Å | ||
| 242 | T | 58.2 | Low | 83.6 | Confident | 146 Ų | 146 | 73.3 Ų | 73.3 | 90% | 0.896 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -9.3 | -172.2 | 46.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 243 | L | 60.2 | Low | 84.1 | Confident | 155 Ų | 155 | 72.2 Ų | 72.2 | 81% | 0.812 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -0.5 | -173.9 | -85.6 | 136.3 | 0 | 0 | 0 | 114.8 | L241 | L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 3.21Å |
| 244 | S | 62.8 | Low | 84.5 | Confident | 26 Ų | 26 | 70 Ų | 70 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | trans | -96.4 | 109.5 | -177.1 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 245 | T | 79.4 | Confident | 84.6 | Confident | 116 Ų | 116 | 76.3 Ų | 76.3 | 71% | 0.712 | 41% | 0.409 | S | S | * | . | trans | -70.9 | 134.2 | 167.2 | 39.1 | 0 | 0 | 0 | 0 | 109.3 | G247 I250 | T245-G247 PolarHBondContact O-N 3.09Å; T245-I250 WeakPolarHBondContact O-CG2 3.42Å | ||
| 246 | P | 87.9 | Confident | 84.6 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -55.8 | 136.9 | 174.4 | -29.9 | 37.3 | 0 | 0 | 0 | 112.6 | Q235 V236 Q237 T272 | Q235-P246 HydrophobicContact CB-CB 4.42Å; V236-P246 WeakPolarHBondContact O-CA 3.41Å; Q237-P246 HydrophobicContact CB-CG 4.48Å; P246-T272 HydrophobicContact CB-CG2 3.69Å; P246-T272 HydrophobicContact CG-CG2 3.94Å | ||
| 247 | G | 89.6 | Confident | 84.4 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -158.2 | 172.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q235 V236 T245 | Q235-G247 WeakPolarHBondContact CA-O 3.42Å; V236-G247 WeakPolarHBondContact CG2-O 3.42Å; V236-G247 PolarHBondContact N-O 2.76Å; V236-G247 PolarHBondContact O-N 3.44Å; T245-G247 PolarHBondContact O-N 3.09Å |
| 248 | L | 89.6 | Confident | 84.1 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -72.1 | -36.8 | 172.9 | -174.6 | 116 | 0 | 0 | 0 | 111.4 | S229 V230 T232 | S229-L248 CarbonylContact C-O 3.58Å; S229-L248 VanDerWaalsContact CA-O 3.23Å; S229-L248 WeakPolarHBondContact CA-O 3.3Å; V230-L248 PolarHBondContact N-O 2.83Å; T232-L248 HydrophobicContact CG2-CD1 4.13Å |
| 249 | E | 90.4 | Very high | 83.5 | Confident | 71 Ų | 71 | 81.9 Ų | 81.9 | 33% | 0.332 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 122.7 | 175.8 | -175.9 | 177.7 | 156.2 | 0 | 0 | 107.2 | Q227 C228 K312 | Q227-E249 HydrophobicContact CG-CG 4.43Å; Q227-E249 PolarHBondContact NE2-OE1 3.19Å; C228-E249 CarbonylContact O-C 3.59Å; C228-E249 WeakPolarHBondContact O-CA 3.24Å; E249-K312 IonicContact OE2-NZ 3.2Å; E249-K312 PolarHBondContact OE2-NZ 3.21Å |
| 250 | I | 91.7 | Very high | 83.2 | Confident | 13 Ų | 13 | 76 Ų | 76 | 7% | 0.067 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147 | -178.1 | 61.4 | 175.9 | 0 | 0 | 0 | 109.6 | Q227 C228 V236 F238 T245 | Q227-I250 WeakPolarHBondContact CA-O 3.38Å; C228-I250 HydrophobicContact CB-CD1 4.27Å; C228-I250 HydrophobicContact CB-CG1 3.88Å; C228-I250 PolarHBondContact N-O 2.96Å; C228-I250 PolarHBondContact O-N 2.93Å; V236-I250 HydrophobicContact CB-CD1 4.43Å; V236-I250 HydrophobicContact CG2-CD1 4.05Å; V236-I250 HydrophobicContact CG2-CG1 4.04Å; F238-I250 HydrophobicContact CD2-CD1 3.58Å; F238-I250 HydrophobicContact CD2-CG1 4.22Å; F238-I250 HydrophobicContact CE2-CB 4.39Å; F238-I250 HydrophobicContact CE2-CD1 3.57Å; F238-I250 HydrophobicContact CE2-CG1 3.69Å; F238-I250 HydrophobicContact CG-CD1 4.14Å; F238-I250 HydrophobicContact CZ-CD1 4.13Å; F238-I250 HydrophobicContact CZ-CG1 4.11Å; T245-I250 WeakPolarHBondContact O-CG2 3.42Å |
| 251 | K | 91.3 | Very high | 83.4 | Confident | 133 Ų | 133 | 76.8 Ų | 76.8 | 58% | 0.578 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.9 | 176.9 | -65.5 | -175.6 | 178.8 | -174 | 0 | 110.1 | V226 Q227 | V226-K251 CarbonylContact O-C 3.6Å; V226-K251 WeakPolarHBondContact O-CA 3.49Å; Q227-K251 HydrophobicContact CB-CG 4.3Å; Q227-K251 HydrophobicContact CG-CG 4.29Å; Q227-K251 VanDerWaalsContact OE1-CE 3.23Å |
| 252 | Y | 90.1 | Very high | 83.4 | Confident | 63 Ų | 63 | 80.9 Ų | 80.9 | 25% | 0.247 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 127.6 | 176.3 | 175.8 | -102 | 0 | 0 | 0 | 109.6 | V226 L241 Y254 | V226-Y252 HydrophobicContact CG2-CD1 3.99Å; V226-Y252 HydrophobicContact CG2-CG 4.48Å; V226-Y252 VanDerWaalsContact CG2-O 3.22Å; V226-Y252 WeakPolarHBondContact CG2-O 3.43Å; V226-Y252 PolarHBondContact N-O 3.44Å; V226-Y252 PolarHBondContact O-N 2.84Å; L241-Y252 HydrophobicContact CD1-CD1 3.66Å; L241-Y252 HydrophobicContact CD1-CD2 4.03Å; L241-Y252 HydrophobicContact CD1-CE1 3.64Å; L241-Y252 HydrophobicContact CD1-CE2 4.02Å; L241-Y252 HydrophobicContact CD1-CG 3.85Å; L241-Y252 HydrophobicContact CD2-CE1 4.28Å; L241-Y252 HydrophobicContact CD2-CE2 4.37Å; Y252-Y254 HydrophobicContact CE1-CD2 4.21Å; Y252-Y254 PolarHBondContact O-N 3.44Å |
| 253 | D | 90.1 | Very high | 84.8 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 103.6 | 176 | -64.8 | -33.6 | 0 | 0 | 0 | 109.4 | S225 | S225-D253 WeakPolarHBondContact CA-OD1 3.29Å; S225-D253 WeakPolarHBondContact CB-OD1 3.38Å; S225-D253 PolarHBondContact OG-OD1 3.44Å |
| 254 | Y | 89.8 | Confident | 86.2 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 13% | 0.125 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 127.7 | 175.3 | -179 | -88.8 | 0 | 0 | 0 | 109.7 | V218 S223 V224 Y252 A256 E265 I267 L283 | V218-Y254 HydrophobicContact CG1-CD1 4.29Å; V218-Y254 HydrophobicContact CG1-CE1 4.19Å; S223-Y254 CarbonylContact C-O 3.59Å; S223-Y254 WeakPolarHBondContact CA-O 3.26Å; S223-Y254 WeakPolarHBondContact CB-O 3.47Å; V224-Y254 HydrophobicContact CG1-CD1 4.47Å; V224-Y254 PolarHBondContact N-O 2.77Å; V224-Y254 PolarHBondContact O-N 2.77Å; Y252-Y254 HydrophobicContact CE1-CD2 4.21Å; Y252-Y254 PolarHBondContact O-N 3.44Å; Y254-A256 HydrophobicContact CE1-CB 4.32Å; Y254-E265 WeakPolarHBondContact OH-CG 3.35Å; Y254-I267 HydrophobicContact CD2-CD1 3.81Å; Y254-I267 HydrophobicContact CG-CD1 4.22Å; Y254-L283 HydrophobicContact CD1-CD1 3.9Å; Y254-L283 HydrophobicContact CG-CD1 3.93Å |
| 255 | K | 90.5 | Very high | 87.6 | Confident | 161 Ų | 161 | 78.7 Ų | 78.7 | 70% | 0.7 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.1 | 176.2 | -65.7 | -171.4 | 176.8 | -175.4 | 0 | 110.2 | ||
| 256 | A | 89.5 | Confident | 88.2 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 7% | 0.066 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 140.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V218 G221 G222 Y254 L285 | V218-A256 HydrophobicContact CG1-CB 4Å; V218-A256 HydrophobicContact CG2-CB 3.88Å; G221-A256 PolarHBondContact N-O 2.87Å; G222-A256 PolarHBondContact O-N 2.82Å; Y254-A256 HydrophobicContact CE1-CB 4.32Å; A256-L285 HydrophobicContact CB-CD2 4.38Å; A256-L285 HydrophobicContact CB-CG 4.37Å |
| 257 | P | 88.8 | Confident | 88.4 | Confident | 62 Ų | 62 | 75 Ų | 75 | 40% | 0.403 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 146.8 | 174.6 | -21.8 | 32.1 | 0 | 0 | 0 | 112.6 | G221 C260 | G221-P257 PolarHBondContact N-O 3.06Å; P257-C260 HydrophobicContact CB-CB 4.49Å; P257-C260 WeakPolarHBondContact O-CB 3.38Å |
| 258 | D | 86.3 | Confident | 88.7 | Confident | 145 Ų | 145 | 75.6 Ų | 75.6 | 78% | 0.775 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 137 | 171 | -68.1 | -40.2 | 0 | 0 | 0 | 110.6 | G221 C260 | G221-D258 WeakPolarHBondContact CA-OD1 3.48Å; D258-C260 VanDerWaalsContact C-N 3.29Å; D258-C260 PolarHBondContact O-N 3.11Å |
| 259 | G | 80.1 | Confident | 88.8 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 73% | 0.732 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 23.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 260 | C | 82.7 | Confident | 89 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 8% | 0.081 | 36% | 0.361 | C | S | . | . | trans | -60.6 | 151.5 | -177.6 | 70.6 | 0 | 0 | 0 | 0 | 114.5 | C220 P257 D258 L285 K287 | C220-C260 WeakPolarHBondContact CA-SG 3.5Å; C220-C260 HydrophobicContact CB-CB 4.12Å; C220-C260 WeakPolarHBondContact CB-SG 3.36Å; C220-C260 VanDerWaalsContact SG-C 3.59Å; C220-C260 VanDerWaalsContact SG-CA 3.51Å; C220-C260 WeakPolarHBondContact SG-CB 3.48Å; C220-C260 PolarHBondContact SG-N 2.65Å; C220-C260 VanDerWaalsContact SG-N 3.42Å; C220-C260 PolarHBondContact SG-O 2.62Å; C220-C260 CovalentContact SG-SG 2.03Å; C220-C260 PolarHBondContact SG-SG 3.39Å; P257-C260 HydrophobicContact CB-CB 4.49Å; P257-C260 WeakPolarHBondContact O-CB 3.38Å; D258-C260 VanDerWaalsContact C-N 3.29Å; D258-C260 PolarHBondContact O-N 3.11Å; C260-L285 HydrophobicContact CB-CD2 3.92Å; C260-L285 VanDerWaalsContact SG-CD2 3.59Å; C260-K287 WeakPolarHBondContact O-CE 3.41Å | ||
| 261 | T | 81.8 | Confident | 89 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | trans | -87.1 | 147.4 | 169.6 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | R263 | T261-R263 PolarHBondContact O-N 3.46Š| ||
| 262 | Q | 81.8 | Confident | 88.8 | Confident | 135 Ų | 135 | 64.4 Ų | 64.4 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -58.3 | 113.4 | 176.8 | -168.3 | 174.3 | -3.4 | 0 | 0 | 110.1 | E284 L285 | Q262-E284 HydrophobicContact CG-CG 4.49Å; Q262-E284 PolarHBondContact NE2-OE1 3.05Å; Q262-L285 VanDerWaalsContact CA-O 3.31Å; Q262-L285 WeakPolarHBondContact CA-O 3.32Å |
| 263 | R | 86.5 | Confident | 88.5 | Confident | 122 Ų | 122 | 66.7 Ų | 66.7 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | trans | -155.1 | 156.8 | -179.5 | 74.2 | -176.8 | -167.8 | -164.6 | 2.6 | 109.9 | T261 E265 L285 | T261-R263 PolarHBondContact O-N 3.46Å; R263-E265 IonicContact CZ-OE1 3.58Å; R263-E265 IonicContact NE-OE1 3.74Å; R263-E265 PolarHBondContact NE-OE1 2.98Å; R263-E265 IonicContact NH2-OE1 2.76Å; R263-E265 PolarHBondContact NH2-OE1 3.13Å; R263-L285 HydrophobicContact CG-CD2 4.35Å; R263-L285 PolarHBondContact O-N 2.84Å | ||
| 264 | E | 90.1 | Very high | 88.2 | Confident | 110 Ų | 110 | 64.9 Ų | 64.9 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 137.7 | 172.6 | -65.8 | -172 | 156.7 | 0 | 0 | 110.8 | R215 T282 L283 | R215-E264 IonicContact NH2-OE1 3.64Å; E264-T282 HydrophobicContact CB-CG2 4.36Å; E264-T282 HydrophobicContact CG-CG2 4.4Å; E264-L283 CarbonylContact C-O 3.54Å; E264-L283 WeakPolarHBondContact CA-O 3.42Å |
| 265 | E | 91.3 | Very high | 88 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.9 | 173.1 | -72.1 | -73.7 | 176.4 | 0 | 0 | 108.8 | Y254 R263 L283 L285 | Y254-E265 WeakPolarHBondContact OH-CG 3.35Å; R263-E265 IonicContact CZ-OE1 3.58Å; R263-E265 IonicContact NE-OE1 3.74Å; R263-E265 PolarHBondContact NE-OE1 2.98Å; R263-E265 IonicContact NH2-OE1 2.76Å; R263-E265 PolarHBondContact NH2-OE1 3.13Å; E265-L283 PolarHBondContact N-O 3.05Å; E265-L283 PolarHBondContact O-N 3.42Å; E265-L285 HydrophobicContact CB-CD1 3.95Å; E265-L285 HydrophobicContact CG-CD1 3.45Å; E265-L285 VanDerWaalsContact CG-CD1 3.45Å; E265-L285 HydrophobicContact CG-CD2 4.34Å |
| 266 | T | 93.2 | Very high | 87.7 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 53% | 0.534 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.2 | -177.9 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | I280 I281 | T266-I280 HydrophobicContact CG2-CG2 3.97Å; T266-I281 CarbonylContact C-O 3.57Å; T266-I281 VanDerWaalsContact CA-O 3.3Å; T266-I281 WeakPolarHBondContact CA-O 3.48Å |
| 267 | I | 92.6 | Very high | 87.6 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.6 | 176 | -56.4 | 172.4 | 0 | 0 | 0 | 107.5 | V226 F238 L241 Y254 I281 L283 | V226-I267 HydrophobicContact CG1-CD1 4.18Å; V226-I267 HydrophobicContact CG2-CD1 3.94Å; F238-I267 HydrophobicContact CD1-CG2 3.55Å; F238-I267 HydrophobicContact CE1-CG2 3.95Å; F238-I267 HydrophobicContact CG-CG2 4.33Å; L241-I267 HydrophobicContact CD1-CG2 4.28Å; Y254-I267 HydrophobicContact CD2-CD1 3.81Å; Y254-I267 HydrophobicContact CG-CD1 4.22Å; I267-I281 HydrophobicContact CB-CB 4.23Å; I267-I281 PolarHBondContact N-O 2.92Å; I267-I281 PolarHBondContact O-N 3.16Å; I267-L283 HydrophobicContact CD1-CD1 3.96Å |
| 268 | T | 93.9 | Very high | 87.7 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.1 | 178.1 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | F238 K239 Y278 | F238-T268 WeakPolarHBondContact CA-O 3.28Å; K239-T268 HydrophobicContact CB-CG2 4.36Å; K239-T268 HydrophobicContact CD-CG2 4.39Å; K239-T268 PolarHBondContact N-O 3.47Å; T268-Y278 HydrophobicContact CG2-CD2 3.73Å; T268-Y278 HydrophobicContact CG2-CG 3.98Å |
| 269 | C | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.7 | 165.7 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | V211 C228 F238 Y278 K279 | V211-C269 HydrophobicContact CG1-CB 3.97Å; C228-C269 HydrophobicContact CB-CB 3.63Å; C228-C269 WeakPolarHBondContact CB-SG 3.44Å; C228-C269 WeakPolarHBondContact SG-CB 3.39Å; C228-C269 CovalentContact SG-SG 1.99Å; C228-C269 PolarHBondContact SG-SG 2.88Å; F238-C269 HydrophobicContact CD1-CB 4.09Å; F238-C269 HydrophobicContact CE1-CB 4.04Å; C269-Y278 CarbonylContact O-C 3.57Å; C269-Y278 WeakPolarHBondContact O-CA 3.26Å; C269-Y278 VanDerWaalsContact O-CB 3.24Å; C269-Y278 WeakPolarHBondContact O-CB 3.24Å; C269-K279 PolarHBondContact N-O 3.19Å; C269-K279 PolarHBondContact O-N 3.43Å |
| 270 | Q | 93.4 | Very high | 88.6 | Confident | 21 Ų | 21 | 67.8 Ų | 67.8 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.9 | -174.9 | 64 | -179.9 | 46.1 | 0 | 0 | 111.8 | V236 Q237 D277 | V236-Q270 CarbonylContact C-O 3.52Å; V236-Q270 VanDerWaalsContact CA-O 3.32Å; V236-Q270 WeakPolarHBondContact CA-O 3.31Å; Q237-Q270 HydrophobicContact CG-CG 4.01Å; Q237-Q270 PolarHBondContact N-O 2.93Å; Q237-Q270 PolarHBondContact O-N 3.11Å; Q270-D277 WeakPolarHBondContact CA-O 3.36Å |
| 271 | V | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.1 | 172.9 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | P207 I209 V230 Y234 Q235 V236 T273 N274 D277 | P207-V271 HydrophobicContact CB-CG2 3.85Å; P207-V271 HydrophobicContact CG-CG2 4.42Å; I209-V271 HydrophobicContact CD1-CG2 3.82Å; I209-V271 HydrophobicContact CG1-CG2 4.07Å; V230-V271 HydrophobicContact CG2-CG2 4.48Å; Y234-V271 HydrophobicContact CD1-CG1 4.01Å; Q235-V271 CarbonylContact O-C 3.57Å; Q235-V271 WeakPolarHBondContact O-CA 3.49Å; V236-V271 HydrophobicContact CG1-CG2 4.31Å; V271-T273 WeakPolarHBondContact CG1-OG1 3.33Å; V271-N274 CarbonylContact O-C 3.58Å; V271-D277 HydrophobicContact CB-CB 4.18Å; V271-D277 HydrophobicContact CG2-CB 3.82Å; V271-D277 PolarHBondContact N-O 3.32Å |
| 272 | T | 87.5 | Confident | 89.8 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -67.4 | -38.6 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | Q235 Q237 P246 | Q235-T272 HydrophobicContact CB-CG2 4.21Å; Q235-T272 PolarHBondContact O-N 2.84Å; Q235-T272 PolarHBondContact O-OG1 3.44Å; Q237-T272 HydrophobicContact CB-CG2 4.11Å; Q237-T272 HydrophobicContact CG-CG2 4Å; P246-T272 HydrophobicContact CB-CG2 3.69Å; P246-T272 HydrophobicContact CG-CG2 3.94Å |
| 273 | T | 84.5 | Confident | 90.3 | Very high | 111 Ų | 111 | 57.8 Ų | 57.8 | 68% | 0.681 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -77.8 | -26.2 | -178.8 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | V271 | V271-T273 WeakPolarHBondContact CG1-OG1 3.33Š|
| 274 | N | 84 | Confident | 90.6 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | trans | -143.4 | 95.5 | 178.7 | -176.6 | 17.5 | 0 | 0 | 0 | 110.9 | V271 Q276 D277 | V271-N274 CarbonylContact O-C 3.58Å; N274-Q276 PolarHBondContact O-N 3.2Å; N274-Q276 PolarHBondContact OD1-N 3.34Å; N274-D277 WeakPolarHBondContact CB-OD2 3.38Å; N274-D277 PolarHBondContact ND2-OD2 3.08Å; N274-D277 PolarHBondContact O-N 2.93Å | ||
| 275 | P | 85.1 | Confident | 90.7 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.9 | -178.8 | -25.6 | 35.9 | 0 | 0 | 0 | 115.8 | D277 | P275-D277 VanDerWaalsContact C-N 3.3Š|
| 276 | Q | 84.9 | Confident | 90.6 | Very high | 150 Ų | 150 | 46 Ų | 46 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21.9 | 173.7 | -62.8 | -62.6 | -24.4 | 0 | 0 | 112.5 | N274 Y278 | N274-Q276 PolarHBondContact O-N 3.2Å; N274-Q276 PolarHBondContact OD1-N 3.34Å; Q276-Y278 VanDerWaalsContact O-CD1 3.28Å; Q276-Y278 WeakPolarHBondContact O-CD1 3.38Å; Q276-Y278 PolarHBondContact O-N 2.74Å |
| 277 | D | 86.8 | Confident | 90.2 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -86.8 | 100.1 | 173.2 | -59.1 | -41.9 | 0 | 0 | 0 | 108 | P207 I209 Q270 V271 N274 P275 | P207-D277 HydrophobicContact CG-CB 3.9Å; P207-D277 WeakPolarHBondContact CG-OD2 3.41Å; I209-D277 VanDerWaalsContact CD1-C 3.41Å; I209-D277 HydrophobicContact CD1-CB 4.3Å; I209-D277 WeakPolarHBondContact CD1-O 3.32Å; Q270-D277 WeakPolarHBondContact CA-O 3.36Å; V271-D277 HydrophobicContact CB-CB 4.18Å; V271-D277 HydrophobicContact CG2-CB 3.82Å; V271-D277 PolarHBondContact N-O 3.32Å; N274-D277 WeakPolarHBondContact CB-OD2 3.38Å; N274-D277 PolarHBondContact ND2-OD2 3.08Å; N274-D277 PolarHBondContact O-N 2.93Å; P275-D277 VanDerWaalsContact C-N 3.3Å |
| 278 | Y | 91.8 | Very high | 89.8 | Confident | 118 Ų | 118 | 53.9 Ų | 53.9 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 157.9 | -178.7 | 71.5 | -90.5 | 0 | 0 | 0 | 113.1 | T268 C269 Q276 I280 | T268-Y278 HydrophobicContact CG2-CD2 3.73Å; T268-Y278 HydrophobicContact CG2-CG 3.98Å; C269-Y278 CarbonylContact O-C 3.57Å; C269-Y278 WeakPolarHBondContact O-CA 3.26Å; C269-Y278 VanDerWaalsContact O-CB 3.24Å; C269-Y278 WeakPolarHBondContact O-CB 3.24Å; Q276-Y278 VanDerWaalsContact O-CD1 3.28Å; Q276-Y278 WeakPolarHBondContact O-CD1 3.38Å; Q276-Y278 PolarHBondContact O-N 2.74Å; Y278-I280 HydrophobicContact CD2-CG1 3.99Å; Y278-I280 HydrophobicContact CE2-CD1 3.94Å; Y278-I280 HydrophobicContact CE2-CG1 3.81Å |
| 279 | K | 91.9 | Very high | 89.4 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 151.1 | 164.2 | -84.2 | -161.7 | 179.1 | 170.2 | 0 | 110.6 | I209 V211 C269 | I209-K279 HydrophobicContact CB-CB 4.48Å; I209-K279 HydrophobicContact CB-CD 4.43Å; I209-K279 HydrophobicContact CB-CG 4.17Å; I209-K279 HydrophobicContact CG2-CB 4.04Å; I209-K279 HydrophobicContact CG2-CG 4.26Å; I209-K279 WeakPolarHBondContact O-CD 3.35Å; I209-K279 WeakPolarHBondContact O-CE 3.27Å; I209-K279 PolarHBondContact O-NZ 3.44Å; V211-K279 HydrophobicContact CG1-CB 3.85Å; V211-K279 HydrophobicContact CG2-CB 4.13Å; V211-K279 HydrophobicContact CG2-CD 4.19Å; C269-K279 PolarHBondContact N-O 3.19Å; C269-K279 PolarHBondContact O-N 3.43Å |
| 280 | I | 93 | Very high | 89.2 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.4 | 178.4 | -57.4 | 177.5 | 0 | 0 | 0 | 108.4 | T266 Y278 | T266-I280 HydrophobicContact CG2-CG2 3.97Å; Y278-I280 HydrophobicContact CD2-CG1 3.99Å; Y278-I280 HydrophobicContact CE2-CD1 3.94Å; Y278-I280 HydrophobicContact CE2-CG1 3.81Å |
| 281 | I | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.9 | 166.8 | -60.9 | 175.1 | 0 | 0 | 0 | 106.9 | V211 P213 V226 F238 T266 I267 L283 | V211-I281 HydrophobicContact CB-CD1 3.8Å; V211-I281 HydrophobicContact CB-CG1 3.55Å; V211-I281 HydrophobicContact CG1-CD1 4.09Å; V211-I281 HydrophobicContact CG1-CG1 3.96Å; V211-I281 HydrophobicContact CG2-CG1 3.79Å; P213-I281 VanDerWaalsContact O-CG2 3.32Å; P213-I281 WeakPolarHBondContact O-CG2 3.4Å; V226-I281 HydrophobicContact CB-CD1 3.86Å; V226-I281 HydrophobicContact CG1-CD1 4.47Å; V226-I281 HydrophobicContact CG1-CG2 4.07Å; V226-I281 HydrophobicContact CG2-CD1 4.32Å; F238-I281 HydrophobicContact CE1-CD1 4.15Å; T266-I281 CarbonylContact C-O 3.57Å; T266-I281 VanDerWaalsContact CA-O 3.3Å; T266-I281 WeakPolarHBondContact CA-O 3.48Å; I267-I281 HydrophobicContact CB-CB 4.23Å; I267-I281 PolarHBondContact N-O 2.92Å; I267-I281 PolarHBondContact O-N 3.16Å; I281-L283 HydrophobicContact CG2-CD2 4.21Å; I281-L283 HydrophobicContact CG2-CG 4.21Å |
| 282 | T | 94.3 | Very high | 88.8 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.7 | 177.1 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | V214 R215 G216 E264 | V214-T282 PolarHBondContact O-N 3.26Å; R215-T282 WeakPolarHBondContact CA-O 3.31Å; G216-T282 PolarHBondContact N-O 3.33Å; E264-T282 HydrophobicContact CB-CG2 4.36Å; E264-T282 HydrophobicContact CG-CG2 4.4Å |
| 283 | L | 93 | Very high | 88.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.1 | 178.2 | -63.7 | 178.5 | 0 | 0 | 0 | 110.2 | P213 G216 V218 V224 V226 Y254 E264 E265 I267 I281 | P213-L283 HydrophobicContact CG-CD2 3.98Å; G216-L283 CarbonylContact O-C 3.59Å; G216-L283 VanDerWaalsContact O-CA 3.28Å; G216-L283 WeakPolarHBondContact O-CA 3.43Å; V218-L283 HydrophobicContact CG1-CB 4.48Å; V224-L283 HydrophobicContact CG1-CD1 3.6Å; V224-L283 HydrophobicContact CG1-CD2 3.97Å; V224-L283 HydrophobicContact CG1-CG 4.42Å; V226-L283 HydrophobicContact CG1-CD1 4.02Å; V226-L283 HydrophobicContact CG1-CD2 4.4Å; Y254-L283 HydrophobicContact CD1-CD1 3.9Å; Y254-L283 HydrophobicContact CG-CD1 3.93Å; E264-L283 CarbonylContact C-O 3.54Å; E264-L283 WeakPolarHBondContact CA-O 3.42Å; E265-L283 PolarHBondContact N-O 3.05Å; E265-L283 PolarHBondContact O-N 3.42Å; I267-L283 HydrophobicContact CD1-CD1 3.96Å; I281-L283 HydrophobicContact CG2-CD2 4.21Å; I281-L283 HydrophobicContact CG2-CG 4.21Å |
| 284 | E | 92.3 | Very high | 88.5 | Confident | 29 Ų | 29 | 66.8 Ų | 66.8 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.1 | 171.5 | -167.5 | 174.3 | 172.8 | 0 | 0 | 110.6 | G216 T217 V218 Q262 I286 F304 | G216-E284 PolarHBondContact O-N 3.5Å; T217-E284 CarbonylContact C-O 3.57Å; T217-E284 WeakPolarHBondContact CA-O 3.35Å; T217-E284 VanDerWaalsContact CB-O 3.26Å; T217-E284 WeakPolarHBondContact CB-O 3.49Å; T217-E284 HydrophobicContact CG2-CB 4.23Å; V218-E284 PolarHBondContact N-O 3.41Å; Q262-E284 HydrophobicContact CG-CG 4.49Å; Q262-E284 PolarHBondContact NE2-OE1 3.05Å; E284-I286 HydrophobicContact CG-CG2 4.27Å; E284-F304 HydrophobicContact CB-CE2 4.17Å; E284-F304 VanDerWaalsContact OE2-CD2 3.32Å; E284-F304 WeakPolarHBondContact OE2-CD2 3.37Å; E284-F304 VanDerWaalsContact OE2-CE2 3.27Å; E284-F304 WeakPolarHBondContact OE2-CE2 3.37Å |
| 285 | L | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118 | 178.9 | -83.2 | 65.6 | 0 | 0 | 0 | 109 | V218 A256 C260 Q262 R263 E265 | V218-L285 HydrophobicContact CG1-CD1 3.8Å; V218-L285 HydrophobicContact CG1-CG 3.89Å; V218-L285 WeakPolarHBondContact O-CA 3.23Å; A256-L285 HydrophobicContact CB-CD2 4.38Å; A256-L285 HydrophobicContact CB-CG 4.37Å; C260-L285 HydrophobicContact CB-CD2 3.92Å; C260-L285 VanDerWaalsContact SG-CD2 3.59Å; Q262-L285 VanDerWaalsContact CA-O 3.31Å; Q262-L285 WeakPolarHBondContact CA-O 3.32Å; R263-L285 HydrophobicContact CG-CD2 4.35Å; R263-L285 PolarHBondContact O-N 2.84Å; E265-L285 HydrophobicContact CB-CD1 3.95Å; E265-L285 HydrophobicContact CG-CD1 3.45Å; E265-L285 VanDerWaalsContact CG-CD1 3.45Å; E265-L285 HydrophobicContact CG-CD2 4.34Å |
| 286 | I | 89.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 153.3 | -175.7 | 62.2 | 169.5 | 0 | 0 | 0 | 111.9 | T217 V218 Q219 C220 E284 V289 | T217-I286 HydrophobicContact CG2-CD1 4.28Å; T217-I286 HydrophobicContact CG2-CG2 4.17Å; T217-I286 WeakPolarHBondContact OG1-CD1 3.38Å; V218-I286 PolarHBondContact O-N 3Å; Q219-I286 CarbonylContact C-O 3.6Å; Q219-I286 VanDerWaalsContact CA-O 3.28Å; Q219-I286 WeakPolarHBondContact CA-O 3.27Å; C220-I286 PolarHBondContact N-O 3.27Å; E284-I286 HydrophobicContact CG-CG2 4.27Å; I286-V289 HydrophobicContact CD1-CG2 4.06Å |
| 287 | K | 85.8 | Confident | 88.3 | Confident | 130 Ų | 130 | 60.9 Ų | 60.9 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -92.1 | -49.2 | 174.4 | -67.4 | -176.5 | 179.7 | -179.2 | 0 | 111.4 | Q219 C260 | Q219-K287 PolarHBondContact NE2-O 2.85Å; C260-K287 WeakPolarHBondContact O-CE 3.41Å |
| 288 | D | 83.8 | Confident | 88.2 | Confident | 135 Ų | 135 | 59.2 Ų | 59.2 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -104.2 | 124.9 | -175.8 | -58.3 | -54.6 | 0 | 0 | 0 | 110.2 | ||
| 289 | V | 85.7 | Confident | 88 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | trans | -93.5 | 120.8 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | Q219 I286 C291 A299 | Q219-V289 HydrophobicContact CB-CG2 4.03Å; Q219-V289 HydrophobicContact CG-CG2 4.06Å; I286-V289 HydrophobicContact CD1-CG2 4.06Å; V289-C291 VanDerWaalsContact CG1-O 3.31Å; V289-C291 WeakPolarHBondContact CG1-O 3.44Å; V289-A299 HydrophobicContact CG1-CB 3.81Å; V289-A299 HydrophobicContact CG2-CB 4.23Å | ||
| 290 | F | 88.6 | Confident | 87.8 | Confident | 86 Ų | 86 | 50.7 Ų | 50.7 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | trans | -100.1 | -57.8 | 177.7 | -158.6 | -90.5 | 0 | 0 | 0 | 110.7 | G300 E302 K323 A324 | F290-G300 WeakPolarHBondContact CA-O 3.37Å; F290-G300 PolarHBondContact N-O 3.14Å; F290-E302 HydrophobicContact CD1-CB 4.16Å; F290-E302 HydrophobicContact CD2-CB 4.39Å; F290-E302 HydrophobicContact CG-CB 4.1Å; F290-K323 VanDerWaalsContact CE1-O 3.22Å; F290-K323 WeakPolarHBondContact CE1-O 3.47Å; F290-A324 WeakPolarHBondContact CE1-O 3.46Å; F290-A324 VanDerWaalsContact CZ-O 3.3Å; F290-A324 WeakPolarHBondContact CZ-O 3.37Å | ||
| 291 | C | 89.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 130.6 | 171.3 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | V289 A299 G300 C322 G326 Y328 | V289-C291 VanDerWaalsContact CG1-O 3.31Å; V289-C291 WeakPolarHBondContact CG1-O 3.44Å; C291-A299 CarbonylContact O-C 3.48Å; C291-A299 VanDerWaalsContact O-CA 3.3Å; C291-A299 WeakPolarHBondContact O-CA 3.29Å; C291-G300 PolarHBondContact N-O 2.72Å; C291-G300 PolarHBondContact O-N 2.9Å; C291-C322 HydrophobicContact CB-CB 3.91Å; C291-C322 WeakPolarHBondContact CB-SG 3.47Å; C291-C322 WeakPolarHBondContact SG-CA 3.23Å; C291-C322 WeakPolarHBondContact SG-CB 2.97Å; C291-C322 CovalentContact SG-SG 2.03Å; C291-C322 PolarHBondContact SG-SG 3.33Å; C291-G326 VanDerWaalsContact SG-C 3.58Å; C291-Y328 HydrophobicContact CB-CD2 4.14Å; C291-Y328 HydrophobicContact CB-CE2 3.73Å |
| 292 | K | 87 | Confident | 87.5 | Confident | 174 Ų | 174 | 54.2 Ų | 54.2 | 76% | 0.757 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 149 | 175.1 | -65.7 | -175.7 | -179.1 | 179.2 | 0 | 110.5 | ||
| 293 | A | 84.5 | Confident | 87.3 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 55% | 0.554 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 135.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | F297 | A293-F297 WeakPolarHBondContact CA-O 3.49Š|
| 294 | D | 80.9 | Confident | 87.1 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | trans | -120.3 | 11 | -172.8 | 64.9 | 5.4 | 0 | 0 | 0 | 113.5 | V296 F297 | D294-V296 VanDerWaalsContact C-N 3.3Å; D294-V296 PolarHBondContact OD1-N 2.96Å; D294-F297 PolarHBondContact N-O 2.69Å; D294-F297 PolarHBondContact OD1-N 3.37Å | ||
| 295 | G | 77.3 | Confident | 87.1 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 77% | 0.773 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 91.2 | -20.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 296 | V | 83.4 | Confident | 87.1 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -100.7 | -53.2 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | D294 A308 | D294-V296 VanDerWaalsContact C-N 3.3Å; D294-V296 PolarHBondContact OD1-N 2.96Å; V296-A308 HydrophobicContact CG1-CB 3.89Å |
| 297 | F | 88.3 | Confident | 87.3 | Confident | 11 Ų | 11 | 59 Ų | 59 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -102.2 | 146.6 | 178.6 | -56.5 | -70.9 | 0 | 0 | 0 | 110.6 | A293 D294 A306 A308 I318 A320 Y328 | A293-F297 WeakPolarHBondContact CA-O 3.49Å; D294-F297 PolarHBondContact N-O 2.69Å; D294-F297 PolarHBondContact OD1-N 3.37Å; F297-A306 HydrophobicContact CB-CB 4.12Å; F297-A306 HydrophobicContact CD1-CB 3.54Å; F297-A306 HydrophobicContact CE1-CB 4.3Å; F297-A306 HydrophobicContact CG-CB 4.08Å; F297-A308 HydrophobicContact CD1-CB 3.92Å; F297-A308 HydrophobicContact CE1-CB 3.77Å; F297-I318 HydrophobicContact CZ-CB 4.36Å; F297-I318 HydrophobicContact CZ-CG2 3.81Å; F297-A320 HydrophobicContact CD2-CB 4.18Å; F297-A320 HydrophobicContact CE1-CB 3.95Å; F297-A320 HydrophobicContact CE2-CB 3.57Å; F297-A320 HydrophobicContact CZ-CB 3.43Å; F297-A320 VanDerWaalsContact CZ-CB 3.43Å; F297-Y328 HydrophobicContact CB-CD2 3.86Å; F297-Y328 HydrophobicContact CB-CE1 4.47Å; F297-Y328 HydrophobicContact CB-CE2 3.59Å; F297-Y328 HydrophobicContact CB-CG 4.42Å; F297-Y328 HydrophobicContact CD2-CD2 4.14Å; F297-Y328 HydrophobicContact CD2-CG 4.1Å; F297-Y328 HydrophobicContact CG-CD2 4.28Å; F297-Y328 HydrophobicContact CG-CE2 4.39Å; F297-Y328 HydrophobicContact CG-CG 4.39Å |
| 298 | S | 85.4 | Confident | 87.6 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | trans | -73 | 177.9 | 169.7 | 74.3 | 0 | 0 | 0 | 0 | 110.3 | G216 T217 Y328 | G216-S298 VanDerWaalsContact CA-OG 3.27Å; G216-S298 WeakPolarHBondContact CA-OG 3.36Å; T217-S298 PolarHBondContact N-OG 2.92Å; T217-S298 PolarHBondContact O-OG 2.84Å; T217-S298 VanDerWaalsContact O-OG 3.13Å; S298-Y328 WeakPolarHBondContact O-CE2 3.46Å; S298-Y328 PolarHBondContact O-OH 3.33Å | ||
| 299 | A | 86.8 | Confident | 87.9 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | trans | -57.3 | 161.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T217 V289 C291 | T217-A299 WeakPolarHBondContact CB-O 3.04Å; T217-A299 WeakPolarHBondContact CG2-O 3.45Å; T217-A299 PolarHBondContact OG1-O 3.21Å; V289-A299 HydrophobicContact CG1-CB 3.81Å; V289-A299 HydrophobicContact CG2-CB 4.23Å; C291-A299 CarbonylContact O-C 3.48Å; C291-A299 VanDerWaalsContact O-CA 3.3Å; C291-A299 WeakPolarHBondContact O-CA 3.29Å | ||
| 300 | G | 89.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -153.1 | 155.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | F290 C291 Y328 | F290-G300 WeakPolarHBondContact CA-O 3.37Å; F290-G300 PolarHBondContact N-O 3.14Å; C291-G300 PolarHBondContact N-O 2.72Å; C291-G300 PolarHBondContact O-N 2.9Å; G300-Y328 WeakPolarHBondContact CA-OH 3.47Å; G300-Y328 PolarHBondContact N-OH 3.24Å |
| 301 | S | 90.2 | Very high | 88 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | trans | -82.8 | 159.1 | 165.7 | 47.4 | 0 | 0 | 0 | 0 | 110.7 | G303 F304 C322 | S301-G303 PolarHBondContact O-N 3.09Å; S301-F304 WeakPolarHBondContact O-CB 3.38Å; S301-F304 PolarHBondContact O-N 3.08Å; S301-C322 WeakPolarHBondContact O-CB 3.45Å; S301-C322 PolarHBondContact O-SG 2.75Å | ||
| 302 | E | 90.6 | Very high | 87.6 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.4 | 176.9 | -172.7 | -178.2 | 179.7 | 0 | 0 | 111.1 | F290 F304 A324 | F290-E302 HydrophobicContact CD1-CB 4.16Å; F290-E302 HydrophobicContact CD2-CB 4.39Å; F290-E302 HydrophobicContact CG-CB 4.1Å; E302-F304 VanDerWaalsContact C-N 3.27Å; E302-F304 PolarHBondContact O-N 2.99Å; E302-A324 WeakPolarHBondContact OE1-CB 3.28Å |
| 303 | G | 88.8 | Confident | 87.4 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 56% | 0.557 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -2.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S301 E305 C322 | S301-G303 PolarHBondContact O-N 3.09Å; G303-E305 PolarHBondContact O-N 3.32Å; G303-C322 PolarHBondContact N-O 3.42Å |
| 304 | F | 90.6 | Very high | 87.6 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | trans | -68.9 | 130.2 | 176.9 | 179.8 | -99.9 | 0 | 0 | 0 | 111.7 | R215 T217 E284 S301 E302 A306 V321 C322 | R215-F304 HydrophobicContact CG-CZ 4.04Å; T217-F304 HydrophobicContact CG2-CD1 3.73Å; T217-F304 HydrophobicContact CG2-CD2 3.86Å; T217-F304 HydrophobicContact CG2-CE1 3.55Å; T217-F304 HydrophobicContact CG2-CE2 3.7Å; T217-F304 HydrophobicContact CG2-CG 3.88Å; T217-F304 HydrophobicContact CG2-CZ 3.53Å; E284-F304 HydrophobicContact CB-CE2 4.17Å; E284-F304 VanDerWaalsContact OE2-CD2 3.32Å; E284-F304 WeakPolarHBondContact OE2-CD2 3.37Å; E284-F304 VanDerWaalsContact OE2-CE2 3.27Å; E284-F304 WeakPolarHBondContact OE2-CE2 3.37Å; S301-F304 WeakPolarHBondContact O-CB 3.38Å; S301-F304 PolarHBondContact O-N 3.08Å; E302-F304 VanDerWaalsContact C-N 3.27Å; E302-F304 PolarHBondContact O-N 2.99Å; F304-A306 HydrophobicContact CD1-CB 4.12Å; F304-A306 HydrophobicContact CE1-CB 3.83Å; F304-V321 WeakPolarHBondContact O-CA 3.21Å; F304-C322 PolarHBondContact O-N 3.21Å | ||
| 305 | E | 92.3 | Very high | 87.9 | Confident | 85 Ų | 85 | 46.4 Ų | 46.4 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 106 | 172.9 | -171.7 | -176 | 174.2 | 0 | 0 | 110.1 | G303 A320 V321 | G303-E305 PolarHBondContact O-N 3.32Å; E305-A320 CarbonylContact C-O 3.51Å; E305-A320 WeakPolarHBondContact CA-O 3.19Å; E305-V321 HydrophobicContact CG-CG2 4.46Å |
| 306 | A | 91.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 142.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F297 F304 T319 A320 Y328 | F297-A306 HydrophobicContact CB-CB 4.12Å; F297-A306 HydrophobicContact CD1-CB 3.54Å; F297-A306 HydrophobicContact CE1-CB 4.3Å; F297-A306 HydrophobicContact CG-CB 4.08Å; F304-A306 HydrophobicContact CD1-CB 4.12Å; F304-A306 HydrophobicContact CE1-CB 3.83Å; A306-T319 VanDerWaalsContact O-CA 3.32Å; A306-T319 WeakPolarHBondContact O-CA 3.46Å; A306-A320 PolarHBondContact N-O 3.5Å; A306-A320 PolarHBondContact O-N 3.25Å; A306-Y328 HydrophobicContact CB-CD1 4.39Å; A306-Y328 HydrophobicContact CB-CE1 3.57Å |
| 307 | V | 93.3 | Very high | 88.8 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 116.7 | 178.4 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | V214 R215 N317 I318 T319 | V214-V307 WeakPolarHBondContact CA-O 3.25Å; V214-V307 HydrophobicContact CB-CB 4.05Å; V214-V307 HydrophobicContact CB-CG1 3.73Å; V214-V307 WeakPolarHBondContact CB-O 3.23Å; V214-V307 HydrophobicContact CG1-CB 4.49Å; V214-V307 HydrophobicContact CG1-CG1 4.04Å; V214-V307 HydrophobicContact CG2-CG1 4.23Å; V214-V307 PolarHBondContact N-O 3.4Å; R215-V307 HydrophobicContact CB-CB 3.82Å; R215-V307 HydrophobicContact CB-CG2 3.86Å; R215-V307 PolarHBondContact N-O 3.45Å; R215-V307 PolarHBondContact O-N 2.8Å; V307-N317 HydrophobicContact CG1-CB 3.72Å; V307-I318 WeakPolarHBondContact CA-O 3.48Å; V307-T319 HydrophobicContact CG1-CG2 4.22Å; V307-T319 HydrophobicContact CG2-CG2 4.06Å |
| 308 | A | 91.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 158.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V296 F297 N317 I318 | V296-A308 HydrophobicContact CG1-CB 3.89Å; F297-A308 HydrophobicContact CD1-CB 3.92Å; F297-A308 HydrophobicContact CE1-CB 3.77Å; A308-N317 WeakPolarHBondContact O-CA 3.38Å; A308-I318 PolarHBondContact N-O 3.14Å; A308-I318 PolarHBondContact O-N 3.4Å |
| 309 | S | 90.4 | Very high | 89.2 | Confident | 26 Ų | 26 | 44.7 Ų | 44.7 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 153.6 | 169.9 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | V211 N212 | V211-S309 WeakPolarHBondContact O-CB 3.42Å; N212-S309 WeakPolarHBondContact CB-OG 3.32Å; N212-S309 PolarHBondContact OD1-N 3.04Å; N212-S309 VanDerWaalsContact OD1-N 3.14Å; N212-S309 PolarHBondContact OD1-OG 3.2Å |
| 310 | C | 89.6 | Confident | 89.5 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 160.9 | 166.8 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | K314 G316 N317 C335 | C310-K314 HydrophobicContact CB-CB 3.87Å; C310-G316 VanDerWaalsContact SG-CA 3.58Å; C310-G316 PolarHBondContact SG-O 3Å; C310-N317 PolarHBondContact SG-N 2.97Å; C310-C335 WeakPolarHBondContact CA-SG 3.49Å; C310-C335 HydrophobicContact CB-CB 3.73Å; C310-C335 WeakPolarHBondContact CB-SG 3.44Å; C310-C335 WeakPolarHBondContact SG-CA 3.49Å; C310-C335 WeakPolarHBondContact SG-CB 3.49Å; C310-C335 CovalentContact SG-SG 2.01Å; C310-C335 PolarHBondContact SG-SG 2.81Å |
| 311 | E | 86.3 | Confident | 89.6 | Confident | 144 Ų | 144 | 45.7 Ų | 45.7 | 67% | 0.673 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 162.1 | 170.8 | -61.4 | -176.6 | 160.4 | 0 | 0 | 112.5 | G313 K314 | E311-G313 PolarHBondContact O-N 2.88Å; E311-K314 PolarHBondContact O-N 3.19Å; E311-K314 VanDerWaalsContact O-N 3.1Å |
| 312 | K | 81.9 | Confident | 89.7 | Confident | 175 Ų | 175 | 44.4 Ų | 44.4 | 76% | 0.761 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131 | 178.8 | -69.4 | -171.7 | 176 | -172.4 | 0 | 110.7 | E249 | E249-K312 IonicContact OE2-NZ 3.2Å; E249-K312 PolarHBondContact OE2-NZ 3.21Å |
| 313 | G | 82.8 | Confident | 89.8 | Confident | 36 Ų | 36 | 42 Ų | 42 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 1.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E311 E338 | E311-G313 PolarHBondContact O-N 2.88Å; G313-E338 VanDerWaalsContact O-CB 3.26Å; G313-E338 WeakPolarHBondContact O-CB 3.37Å; G313-E338 PolarHBondContact O-N 2.97Å |
| 314 | K | 89 | Confident | 89.8 | Confident | 49 Ų | 49 | 42.7 Ų | 42.7 | 21% | 0.213 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.6 | 170.8 | -62.6 | -176.2 | -178.4 | -180 | 0 | 110.7 | C310 E311 C335 V336 | C310-K314 HydrophobicContact CB-CB 3.87Å; E311-K314 PolarHBondContact O-N 3.19Å; E311-K314 VanDerWaalsContact O-N 3.1Å; K314-C335 HydrophobicContact CB-CB 4.08Å; K314-C335 HydrophobicContact CD-CB 3.85Å; K314-V336 CarbonylContact C-O 3.49Å; K314-V336 VanDerWaalsContact CA-O 3.23Å; K314-V336 WeakPolarHBondContact CA-O 3.34Å; K314-V336 WeakPolarHBondContact CB-O 3.44Å |
| 315 | V | 87.4 | Confident | 89.7 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.5 | -179.9 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | V336 E338 Q341 | V315-V336 PolarHBondContact N-O 3.09Å; V315-V336 PolarHBondContact O-N 2.9Å; V315-E338 HydrophobicContact CG2-CB 4.04Å; V315-E338 HydrophobicContact CG2-CG 4Å; V315-Q341 HydrophobicContact CB-CG 4.48Å |
| 316 | G | 88.3 | Confident | 89.4 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 38% | 0.381 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 133.5 | -153.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C310 | C310-G316 VanDerWaalsContact SG-CA 3.58Å; C310-G316 PolarHBondContact SG-O 3Å |
| 317 | N | 90.7 | Very high | 89.3 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 157.8 | 175.3 | 58.5 | 4 | 0 | 0 | 0 | 111.2 | V307 A308 C310 N334 | V307-N317 HydrophobicContact CG1-CB 3.72Å; A308-N317 WeakPolarHBondContact O-CA 3.38Å; C310-N317 PolarHBondContact SG-N 2.97Å; N317-N334 WeakPolarHBondContact O-CA 3.44Å; N317-N334 WeakPolarHBondContact O-CB 3.38Å; N317-N334 PolarHBondContact O-N 2.68Å; N317-N334 VanDerWaalsContact O-N 3.09Å |
| 318 | I | 90.8 | Very high | 89.1 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.9 | 168.4 | -49.4 | 177.4 | 0 | 0 | 0 | 106.6 | F297 V307 A308 I331 Q332 C335 | F297-I318 HydrophobicContact CZ-CB 4.36Å; F297-I318 HydrophobicContact CZ-CG2 3.81Å; V307-I318 WeakPolarHBondContact CA-O 3.48Å; A308-I318 PolarHBondContact N-O 3.14Å; A308-I318 PolarHBondContact O-N 3.4Å; I318-I331 HydrophobicContact CG2-CG2 3.88Å; I318-Q332 CarbonylContact C-O 3.54Å; I318-Q332 VanDerWaalsContact CA-O 3.29Å; I318-Q332 WeakPolarHBondContact CA-O 3.5Å; I318-Q332 WeakPolarHBondContact CG2-O 3.19Å; I318-C335 WeakPolarHBondContact CG1-SG 3.47Å |
| 319 | T | 91.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.4 | 175.8 | 70.5 | 0 | 0 | 0 | 0 | 110.8 | A306 V307 I331 Q332 | A306-T319 VanDerWaalsContact O-CA 3.32Å; A306-T319 WeakPolarHBondContact O-CA 3.46Å; V307-T319 HydrophobicContact CG1-CG2 4.22Å; V307-T319 HydrophobicContact CG2-CG2 4.06Å; T319-I331 CarbonylContact O-C 3.59Å; T319-I331 VanDerWaalsContact O-CA 3.3Å; T319-I331 WeakPolarHBondContact O-CA 3.13Å; T319-Q332 PolarHBondContact N-O 2.79Å; T319-Q332 PolarHBondContact O-N 3.43Å; T319-Q332 WeakPolarHBondContact OG1-CB 3.38Å |
| 320 | A | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 150.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F297 E305 A306 Y328 I331 | F297-A320 HydrophobicContact CD2-CB 4.18Å; F297-A320 HydrophobicContact CE1-CB 3.95Å; F297-A320 HydrophobicContact CE2-CB 3.57Å; F297-A320 HydrophobicContact CZ-CB 3.43Å; F297-A320 VanDerWaalsContact CZ-CB 3.43Å; E305-A320 CarbonylContact C-O 3.51Å; E305-A320 WeakPolarHBondContact CA-O 3.19Å; A306-A320 PolarHBondContact N-O 3.5Å; A306-A320 PolarHBondContact O-N 3.25Å; A320-Y328 HydrophobicContact CB-CD1 3.8Å; A320-Y328 HydrophobicContact CB-CG 4.2Å; A320-I331 HydrophobicContact CB-CG1 3.99Å |
| 321 | V | 92.3 | Very high | 88.4 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.3 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | F304 E305 K323 G329 | F304-V321 WeakPolarHBondContact O-CA 3.21Å; E305-V321 HydrophobicContact CG-CG2 4.46Å; V321-K323 PolarHBondContact O-N 3.03Å; V321-G329 PolarHBondContact N-O 3.44Å; V321-G329 PolarHBondContact O-N 3.41Å |
| 322 | C | 92.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 115.3 | 172.9 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | C291 S301 G303 F304 Y328 | C291-C322 HydrophobicContact CB-CB 3.91Å; C291-C322 WeakPolarHBondContact CB-SG 3.47Å; C291-C322 WeakPolarHBondContact SG-CA 3.23Å; C291-C322 WeakPolarHBondContact SG-CB 2.97Å; C291-C322 CovalentContact SG-SG 2.03Å; C291-C322 PolarHBondContact SG-SG 3.33Å; S301-C322 WeakPolarHBondContact O-CB 3.45Å; S301-C322 PolarHBondContact O-SG 2.75Å; G303-C322 PolarHBondContact N-O 3.42Å; F304-C322 PolarHBondContact O-N 3.21Å; C322-Y328 HydrophobicContact CB-CD1 4.24Å; C322-Y328 HydrophobicContact CB-CE1 3.82Å |
| 323 | K | 91.7 | Very high | 88.7 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 30% | 0.296 | 29% | 0.294 | S | S | . | . | trans | -93 | 162.1 | -176.1 | -61.8 | -62.9 | -170.3 | 169 | 0 | 111.8 | F290 V321 D325 G326 K327 D330 | F290-K323 VanDerWaalsContact CE1-O 3.22Å; F290-K323 WeakPolarHBondContact CE1-O 3.47Å; V321-K323 PolarHBondContact O-N 3.03Å; K323-D325 VanDerWaalsContact CB-OD1 3.3Å; K323-D325 WeakPolarHBondContact CB-OD1 3.49Å; K323-D325 PolarHBondContact O-N 2.87Å; K323-D325 VanDerWaalsContact O-N 3.09Å; K323-G326 PolarHBondContact O-N 2.9Å; K323-K327 WeakPolarHBondContact CB-O 3.37Å; K323-K327 PolarHBondContact N-O 2.96Å; K323-D330 WeakPolarHBondContact CE-OD1 3.48Å; K323-D330 WeakPolarHBondContact CE-OD2 3.39Å; K323-D330 IonicContact NZ-OD1 3.09Å; K323-D330 PolarHBondContact NZ-OD1 2.84Å; K323-D330 IonicContact NZ-OD2 3.47Å; K323-D330 PolarHBondContact NZ-OD2 3.02Å | ||
| 324 | A | 89.4 | Confident | 89 | Confident | 69 Ų | 69 | 52 Ų | 52 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F290 E302 G326 | F290-A324 WeakPolarHBondContact CE1-O 3.46Å; F290-A324 VanDerWaalsContact CZ-O 3.3Å; F290-A324 WeakPolarHBondContact CZ-O 3.37Å; E302-A324 WeakPolarHBondContact OE1-CB 3.28Å; A324-G326 VanDerWaalsContact C-N 3.25Å |
| 325 | D | 88.5 | Confident | 89.1 | Confident | 115 Ų | 115 | 49.7 Ų | 49.7 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1.2 | 173.7 | 71.4 | -13 | 0 | 0 | 0 | 113.4 | K323 K327 | K323-D325 VanDerWaalsContact CB-OD1 3.3Å; K323-D325 WeakPolarHBondContact CB-OD1 3.49Å; K323-D325 PolarHBondContact O-N 2.87Å; K323-D325 VanDerWaalsContact O-N 3.09Å; D325-K327 VanDerWaalsContact C-N 3.34Å; D325-K327 PolarHBondContact OD1-N 3.2Å |
| 326 | G | 86.2 | Confident | 89.3 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 80.4 | 13.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C291 K323 A324 | C291-G326 VanDerWaalsContact SG-C 3.58Å; K323-G326 PolarHBondContact O-N 2.9Å; A324-G326 VanDerWaalsContact C-N 3.25Å |
| 327 | K | 89.1 | Confident | 89.6 | Confident | 146 Ų | 146 | 48 Ų | 48 | 64% | 0.635 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -120.2 | 157.1 | 177.4 | -64.3 | -178 | -179.9 | 178.2 | 0 | 111.7 | K323 D325 | K323-K327 WeakPolarHBondContact CB-O 3.37Å; K323-K327 PolarHBondContact N-O 2.96Å; D325-K327 VanDerWaalsContact C-N 3.34Å; D325-K327 PolarHBondContact OD1-N 3.2Å |
| 328 | Y | 89.2 | Confident | 89.5 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.3 | 169.1 | -79.5 | -73.4 | 0 | 0 | 0 | 110.3 | C291 F297 S298 G300 A306 A320 C322 | C291-Y328 HydrophobicContact CB-CD2 4.14Å; C291-Y328 HydrophobicContact CB-CE2 3.73Å; F297-Y328 HydrophobicContact CB-CD2 3.86Å; F297-Y328 HydrophobicContact CB-CE1 4.47Å; F297-Y328 HydrophobicContact CB-CE2 3.59Å; F297-Y328 HydrophobicContact CB-CG 4.42Å; F297-Y328 HydrophobicContact CD2-CD2 4.14Å; F297-Y328 HydrophobicContact CD2-CG 4.1Å; F297-Y328 HydrophobicContact CG-CD2 4.28Å; F297-Y328 HydrophobicContact CG-CE2 4.39Å; F297-Y328 HydrophobicContact CG-CG 4.39Å; S298-Y328 WeakPolarHBondContact O-CE2 3.46Å; S298-Y328 PolarHBondContact O-OH 3.33Å; G300-Y328 WeakPolarHBondContact CA-OH 3.47Å; G300-Y328 PolarHBondContact N-OH 3.24Å; A306-Y328 HydrophobicContact CB-CD1 4.39Å; A306-Y328 HydrophobicContact CB-CE1 3.57Å; A320-Y328 HydrophobicContact CB-CD1 3.8Å; A320-Y328 HydrophobicContact CB-CG 4.2Å; C322-Y328 HydrophobicContact CB-CD1 4.24Å; C322-Y328 HydrophobicContact CB-CE1 3.82Å |
| 329 | G | 86.6 | Confident | 89.5 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 19% | 0.186 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | -176.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V321 I331 | V321-G329 PolarHBondContact N-O 3.44Å; V321-G329 PolarHBondContact O-N 3.41Å; G329-I331 PolarHBondContact O-N 3.16Å |
| 330 | D | 84.9 | Confident | 89.7 | Confident | 88 Ų | 88 | 49.2 Ų | 49.2 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 36.4 | -173.3 | -56.8 | -3.2 | 0 | 0 | 0 | 113.4 | K323 Q332 | K323-D330 WeakPolarHBondContact CE-OD1 3.48Å; K323-D330 WeakPolarHBondContact CE-OD2 3.39Å; K323-D330 IonicContact NZ-OD1 3.09Å; K323-D330 PolarHBondContact NZ-OD1 2.84Å; K323-D330 IonicContact NZ-OD2 3.47Å; K323-D330 PolarHBondContact NZ-OD2 3.02Å; D330-Q332 PolarHBondContact O-N 3.34Å |
| 331 | I | 86.1 | Confident | 89.7 | Confident | 92 Ų | 92 | 51.3 Ų | 51.3 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 133.1 | -177.1 | -56.6 | 174.6 | 0 | 0 | 0 | 109.3 | I318 T319 A320 G329 | I318-I331 HydrophobicContact CG2-CG2 3.88Å; T319-I331 CarbonylContact O-C 3.59Å; T319-I331 VanDerWaalsContact O-CA 3.3Å; T319-I331 WeakPolarHBondContact O-CA 3.13Å; A320-I331 HydrophobicContact CB-CG1 3.99Å; G329-I331 PolarHBondContact O-N 3.16Å |
| 332 | Q | 85.4 | Confident | 89.5 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.4 | 172 | -61.4 | 173.3 | 22.3 | 0 | 0 | 108.4 | I318 T319 D330 | I318-Q332 CarbonylContact C-O 3.54Å; I318-Q332 VanDerWaalsContact CA-O 3.29Å; I318-Q332 WeakPolarHBondContact CA-O 3.5Å; I318-Q332 WeakPolarHBondContact CG2-O 3.19Å; T319-Q332 PolarHBondContact N-O 2.79Å; T319-Q332 PolarHBondContact O-N 3.43Å; T319-Q332 WeakPolarHBondContact OG1-CB 3.38Å; D330-Q332 PolarHBondContact O-N 3.34Å |
| 333 | D | 88.1 | Confident | 89.6 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 95 | 174 | -172.5 | -7.6 | 0 | 0 | 0 | 109.7 | C335 | D333-C335 VanDerWaalsContact C-N 3.25Å; D333-C335 PolarHBondContact O-N 3.02Å; D333-C335 WeakPolarHBondContact OD1-CB 3.42Å; D333-C335 PolarHBondContact OD1-N 3.41Å; D333-C335 PolarHBondContact OD1-SG 2.88Å |
| 334 | N | 89 | Confident | 89.7 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | trans | -92.8 | 24.1 | 175.7 | -58.4 | -56.1 | 0 | 0 | 0 | 111.9 | N317 V336 | N317-N334 WeakPolarHBondContact O-CA 3.44Å; N317-N334 WeakPolarHBondContact O-CB 3.38Å; N317-N334 PolarHBondContact O-N 2.68Å; N317-N334 VanDerWaalsContact O-N 3.09Å; N334-V336 PolarHBondContact O-N 2.9Å | ||
| 335 | C | 91.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | trans | -82.4 | 114 | -177.7 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | C310 K314 I318 D333 S376 | C310-C335 WeakPolarHBondContact CA-SG 3.49Å; C310-C335 HydrophobicContact CB-CB 3.73Å; C310-C335 WeakPolarHBondContact CB-SG 3.44Å; C310-C335 WeakPolarHBondContact SG-CA 3.49Å; C310-C335 WeakPolarHBondContact SG-CB 3.49Å; C310-C335 CovalentContact SG-SG 2.01Å; C310-C335 PolarHBondContact SG-SG 2.81Å; K314-C335 HydrophobicContact CB-CB 4.08Å; K314-C335 HydrophobicContact CD-CB 3.85Å; I318-C335 WeakPolarHBondContact CG1-SG 3.47Å; D333-C335 VanDerWaalsContact C-N 3.25Å; D333-C335 PolarHBondContact O-N 3.02Å; D333-C335 WeakPolarHBondContact OD1-CB 3.42Å; D333-C335 PolarHBondContact OD1-N 3.41Å; D333-C335 PolarHBondContact OD1-SG 2.88Å; C335-S376 PolarHBondContact O-OG 2.81Å | ||
| 336 | V | 92.9 | Very high | 89.7 | Confident | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.7 | 176.7 | -178 | 0 | 0 | 0 | 0 | 109.8 | K314 V315 N334 E338 I340 Q341 A378 A382 | K314-V336 CarbonylContact C-O 3.49Å; K314-V336 VanDerWaalsContact CA-O 3.23Å; K314-V336 WeakPolarHBondContact CA-O 3.34Å; K314-V336 WeakPolarHBondContact CB-O 3.44Å; V315-V336 PolarHBondContact N-O 3.09Å; V315-V336 PolarHBondContact O-N 2.9Å; N334-V336 PolarHBondContact O-N 2.9Å; V336-E338 PolarHBondContact O-N 3.18Å; V336-I340 HydrophobicContact CG1-CG2 4.48Å; V336-Q341 HydrophobicContact CG1-CB 4.02Å; V336-A378 HydrophobicContact CG2-CB 4.04Å; V336-A382 HydrophobicContact CG1-CB 3.71Å; V336-A382 HydrophobicContact CG2-CB 4.34Å |
| 337 | L | 93.7 | Very high | 90.1 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 128.5 | 173.3 | -172.8 | 66.5 | 0 | 0 | 0 | 111.3 | V339 I340 Q341 N369 T372 I373 T379 | L337-V339 VanDerWaalsContact C-N 3.31Å; L337-V339 HydrophobicContact CD2-CG1 3.71Å; L337-V339 HydrophobicContact CG-CG1 3.96Å; L337-V339 PolarHBondContact O-N 3.33Å; L337-I340 HydrophobicContact CB-CB 4.42Å; L337-I340 HydrophobicContact CB-CG1 4.2Å; L337-I340 HydrophobicContact CD2-CG1 4.15Å; L337-I340 PolarHBondContact O-N 3.22Å; L337-Q341 PolarHBondContact O-N 2.74Å; L337-N369 HydrophobicContact CD2-CB 3.54Å; L337-T372 HydrophobicContact CD1-CG2 4.01Å; L337-I373 HydrophobicContact CD2-CG1 4.21Å; L337-T379 HydrophobicContact CB-CG2 3.85Å; L337-T379 PolarHBondContact N-OG1 2.9Å; L337-T379 VanDerWaalsContact N-OG1 3.09Å |
| 338 | E | 89.3 | Confident | 90.1 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.7 | -41.2 | -170.7 | -177.5 | -178.6 | 171.6 | 0 | 0 | 113.1 | G313 V315 V336 I340 Q341 N342 | G313-E338 VanDerWaalsContact O-CB 3.26Å; G313-E338 WeakPolarHBondContact O-CB 3.37Å; G313-E338 PolarHBondContact O-N 2.97Å; V315-E338 HydrophobicContact CG2-CB 4.04Å; V315-E338 HydrophobicContact CG2-CG 4Å; V336-E338 PolarHBondContact O-N 3.18Å; E338-I340 VanDerWaalsContact C-N 3.31Å; E338-I340 PolarHBondContact O-N 2.79Å; E338-Q341 PolarHBondContact O-N 3.03Å; E338-N342 PolarHBondContact O-N 2.92Å; E338-N342 PolarHBondContact O-ND2 2.85Å |
| 339 | V | 91 | Very high | 90 | Very high | 58 Ų | 58 | 41.4 Ų | 41.4 | 35% | 0.352 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 178.1 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | L337 N342 L343 A365 | L337-V339 VanDerWaalsContact C-N 3.31Å; L337-V339 HydrophobicContact CD2-CG1 3.71Å; L337-V339 HydrophobicContact CG-CG1 3.96Å; L337-V339 PolarHBondContact O-N 3.33Å; V339-N342 PolarHBondContact O-N 2.83Å; V339-L343 WeakPolarHBondContact O-CG 3.39Å; V339-L343 PolarHBondContact O-N 3.17Å; V339-L343 VanDerWaalsContact O-N 3.14Å; V339-A365 HydrophobicContact CG1-CB 4.31Å; V339-A365 HydrophobicContact CG2-CB 3.97Å |
| 340 | I | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.5 | -38.6 | 177.7 | -60 | -57.8 | 0 | 0 | 0 | 110.5 | V336 L337 E338 N342 L343 L344 A365 I373 T379 A382 M383 I386 | V336-I340 HydrophobicContact CG1-CG2 4.48Å; L337-I340 HydrophobicContact CB-CB 4.42Å; L337-I340 HydrophobicContact CB-CG1 4.2Å; L337-I340 HydrophobicContact CD2-CG1 4.15Å; L337-I340 PolarHBondContact O-N 3.22Å; E338-I340 VanDerWaalsContact C-N 3.31Å; E338-I340 PolarHBondContact O-N 2.79Å; I340-N342 VanDerWaalsContact C-N 3.3Å; I340-N342 PolarHBondContact O-N 3.45Å; I340-L343 HydrophobicContact CD1-CD1 4.28Å; I340-L343 PolarHBondContact O-N 3.13Å; I340-L344 WeakPolarHBondContact O-CB 3.5Å; I340-L344 PolarHBondContact O-N 2.89Å; I340-A365 HydrophobicContact CD1-CB 4.32Å; I340-I373 HydrophobicContact CD1-CD1 4.05Å; I340-I373 HydrophobicContact CG1-CD1 4.24Å; I340-I373 HydrophobicContact CG1-CG1 4.39Å; I340-T379 HydrophobicContact CB-CG2 4.09Å; I340-T379 HydrophobicContact CG1-CG2 3.9Å; I340-T379 HydrophobicContact CG2-CG2 4.1Å; I340-A382 HydrophobicContact CG2-CB 4.09Å; I340-M383 HydrophobicContact CD1-CG 4.42Å; I340-M383 HydrophobicContact CD1-SD 4.35Å; I340-M383 HydrophobicContact CG2-CG 3.67Å; I340-I386 HydrophobicContact CG2-CD1 4.05Å |
| 341 | Q | 91.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 174.8 | -175.3 | 59.5 | 51.8 | 0 | 0 | 111.9 | V315 V336 L337 E338 L344 N345 | V315-Q341 HydrophobicContact CB-CG 4.48Å; V336-Q341 HydrophobicContact CG1-CB 4.02Å; L337-Q341 PolarHBondContact O-N 2.74Å; E338-Q341 PolarHBondContact O-N 3.03Å; Q341-L344 WeakPolarHBondContact O-CB 3.46Å; Q341-L344 PolarHBondContact O-N 2.93Å; Q341-N345 PolarHBondContact NE2-OD1 3.33Å; Q341-N345 VanDerWaalsContact O-CG 3.29Å; Q341-N345 PolarHBondContact O-N 3.14Å; Q341-N345 VanDerWaalsContact O-N 3.07Å; Q341-N345 PolarHBondContact O-ND2 3.23Å |
| 342 | N | 88.6 | Confident | 90.4 | Very high | 60 Ų | 60 | 36.8 Ų | 36.8 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 175.1 | -71.7 | -31.9 | 0 | 0 | 0 | 111.5 | E338 V339 I340 L344 N345 E346 | E338-N342 PolarHBondContact O-N 2.92Å; E338-N342 PolarHBondContact O-ND2 2.85Å; V339-N342 PolarHBondContact O-N 2.83Å; I340-N342 VanDerWaalsContact C-N 3.3Å; I340-N342 PolarHBondContact O-N 3.45Å; N342-L344 VanDerWaalsContact C-N 3.3Å; N342-L344 PolarHBondContact O-N 3.09Å; N342-N345 WeakPolarHBondContact O-CB 3.34Å; N342-N345 PolarHBondContact O-N 3.15Å; N342-E346 WeakPolarHBondContact O-CG 3.5Å; N342-E346 PolarHBondContact O-N 2.83Å |
| 343 | L | 93.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -35.3 | 174.8 | -71.5 | 166.5 | 0 | 0 | 0 | 112.3 | V339 I340 E346 S347 F358 D361 L362 A365 I386 | V339-L343 WeakPolarHBondContact O-CG 3.39Å; V339-L343 PolarHBondContact O-N 3.17Å; V339-L343 VanDerWaalsContact O-N 3.14Å; I340-L343 HydrophobicContact CD1-CD1 4.28Å; I340-L343 PolarHBondContact O-N 3.13Å; L343-E346 PolarHBondContact O-N 3.02Å; L343-S347 WeakPolarHBondContact O-CB 3.45Å; L343-S347 PolarHBondContact O-N 2.79Å; L343-F358 HydrophobicContact CB-CE2 4.02Å; L343-F358 HydrophobicContact CB-CZ 4.33Å; L343-F358 HydrophobicContact CD2-CD2 3.93Å; L343-F358 HydrophobicContact CD2-CE2 3.57Å; L343-F358 HydrophobicContact CD2-CZ 4.36Å; L343-F358 HydrophobicContact CG-CE2 4.42Å; L343-F358 VanDerWaalsContact O-CE2 3.29Å; L343-F358 WeakPolarHBondContact O-CE2 3.22Å; L343-F358 WeakPolarHBondContact O-CZ 2.96Å; L343-D361 HydrophobicContact CD2-CB 4.19Å; L343-L362 HydrophobicContact CD1-CD1 4.03Å; L343-A365 HydrophobicContact CD1-CB 3.69Å; L343-I386 HydrophobicContact CB-CD1 3.96Å |
| 344 | L | 93.6 | Very high | 90.4 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 173 | 177.2 | 59.5 | 0 | 0 | 0 | 111.3 | I340 Q341 N342 E346 S347 A382 K385 I386 | I340-L344 WeakPolarHBondContact O-CB 3.5Å; I340-L344 PolarHBondContact O-N 2.89Å; Q341-L344 WeakPolarHBondContact O-CB 3.46Å; Q341-L344 PolarHBondContact O-N 2.93Å; N342-L344 VanDerWaalsContact C-N 3.3Å; N342-L344 PolarHBondContact O-N 3.09Å; L344-E346 VanDerWaalsContact C-N 3.27Å; L344-E346 PolarHBondContact O-N 3.08Å; L344-S347 PolarHBondContact O-N 3.3Å; L344-S347 PolarHBondContact O-OG 2.96Å; L344-A382 HydrophobicContact CD2-CB 4.03Å; L344-K385 HydrophobicContact CD1-CB 3.67Å; L344-I386 HydrophobicContact CB-CD1 4.14Å; L344-I386 HydrophobicContact CB-CG1 3.91Å; L344-I386 HydrophobicContact CD1-CG1 3.88Å |
| 345 | N | 88.8 | Confident | 90.6 | Very high | 52 Ų | 52 | 29.8 Ų | 29.8 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.8 | -33.7 | 177 | -65.4 | -19.1 | 0 | 0 | 0 | 112.8 | Q341 N342 | Q341-N345 PolarHBondContact NE2-OD1 3.33Å; Q341-N345 VanDerWaalsContact O-CG 3.29Å; Q341-N345 PolarHBondContact O-N 3.14Å; Q341-N345 VanDerWaalsContact O-N 3.07Å; Q341-N345 PolarHBondContact O-ND2 3.23Å; N342-N345 WeakPolarHBondContact O-CB 3.34Å; N342-N345 PolarHBondContact O-N 3.15Å |
| 346 | E | 90.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.8 | -37.2 | 175.5 | -72.3 | 172 | -169.6 | 0 | 0 | 112.7 | L176 K177 I178 N342 L343 L344 E348 A349 F358 | L176-E346 HydrophobicContact CB-CG 4.27Å; L176-E346 HydrophobicContact CD1-CG 4.21Å; K177-E346 WeakPolarHBondContact CB-OE1 2.93Å; I178-E346 HydrophobicContact CD1-CB 4.28Å; I178-E346 HydrophobicContact CG1-CB 4.48Å; I178-E346 HydrophobicContact CG1-CG 4.38Å; I178-E346 HydrophobicContact CG2-CB 4.21Å; I178-E346 HydrophobicContact CG2-CG 4.22Å; I178-E346 VanDerWaalsContact CG2-OE2 3.26Å; I178-E346 WeakPolarHBondContact CG2-OE2 3.5Å; N342-E346 WeakPolarHBondContact O-CG 3.5Å; N342-E346 PolarHBondContact O-N 2.83Å; L343-E346 PolarHBondContact O-N 3.02Å; L344-E346 VanDerWaalsContact C-N 3.27Å; L344-E346 PolarHBondContact O-N 3.08Å; E346-E348 PolarHBondContact O-N 3.36Å; E346-E348 VanDerWaalsContact O-N 3.12Å; E346-A349 PolarHBondContact O-N 2.96Å; E346-F358 HydrophobicContact CB-CD2 4.14Å; E346-F358 HydrophobicContact CB-CE2 3.9Å |
| 347 | S | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -26.1 | -178.4 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | L343 L344 A349 L350 N389 | L343-S347 WeakPolarHBondContact O-CB 3.45Å; L343-S347 PolarHBondContact O-N 2.79Å; L344-S347 PolarHBondContact O-N 3.3Å; L344-S347 PolarHBondContact O-OG 2.96Å; S347-A349 VanDerWaalsContact C-N 3.27Å; S347-A349 PolarHBondContact O-N 2.91Å; S347-L350 WeakPolarHBondContact O-CG 3.23Å; S347-N389 PolarHBondContact OG-ND2 2.88Å |
| 348 | E | 89.9 | Confident | 90.7 | Very high | 99 Ų | 99 | 33.7 Ų | 33.7 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.3 | 177.7 | -61.6 | -179.9 | 160.2 | 0 | 0 | 113.3 | K174 E346 | K174-E348 IonicContact NZ-OE2 2.91Å; K174-E348 PolarHBondContact NZ-OE2 3.05Å; E346-E348 PolarHBondContact O-N 3.36Å; E346-E348 VanDerWaalsContact O-N 3.12Å |
| 349 | A | 87.4 | Confident | 91.1 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 11.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L176 E346 S347 | L176-A349 HydrophobicContact CD1-CB 3.92Å; E346-A349 PolarHBondContact O-N 2.96Å; S347-A349 VanDerWaalsContact C-N 3.27Å; S347-A349 PolarHBondContact O-N 2.91Å |
| 350 | L | 90.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -62.4 | 147.2 | -176.1 | -62.7 | 170.8 | 0 | 0 | 0 | 113.1 | I178 S347 L355 F358 I390 R393 L397 | I178-L350 HydrophobicContact CD1-CD2 4.06Å; S347-L350 WeakPolarHBondContact O-CG 3.23Å; L350-L355 HydrophobicContact CD1-CD1 3.9Å; L350-F358 HydrophobicContact CD1-CD1 3.77Å; L350-F358 HydrophobicContact CD1-CE1 3.84Å; L350-F358 HydrophobicContact CD1-CG 4.34Å; L350-F358 HydrophobicContact CD1-CZ 4.45Å; L350-F358 HydrophobicContact CD2-CB 3.72Å; L350-F358 HydrophobicContact CD2-CD1 3.83Å; L350-F358 HydrophobicContact CD2-CD2 3.95Å; L350-F358 HydrophobicContact CD2-CE1 4.47Å; L350-F358 HydrophobicContact CD2-CG 3.53Å; L350-F358 HydrophobicContact CG-CD1 4.46Å; L350-I390 HydrophobicContact CD1-CG1 4.03Å; L350-R393 HydrophobicContact CB-CB 4.45Å; L350-R393 HydrophobicContact CB-CG 4.33Å; L350-R393 VanDerWaalsContact O-CZ 3.31Å; L350-R393 PolarHBondContact O-NE 3.24Å; L350-R393 PolarHBondContact O-NH2 3.28Å; L350-L397 WeakPolarHBondContact O-CD1 3.48Å | ||
| 351 | D | 87.4 | Confident | 91.3 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 19% | 0.193 | 21% | 0.212 | C | C | . | . | trans | -138.5 | 178.7 | 173.7 | 65.6 | 30.1 | 0 | 0 | 0 | 110.8 | V353 T354 L355 L397 | D351-V353 PolarHBondContact O-N 3.44Å; D351-V353 VanDerWaalsContact O-N 3.16Å; D351-V353 WeakPolarHBondContact OD1-CA 2.94Å; D351-V353 PolarHBondContact OD1-N 3.38Å; D351-T354 VanDerWaalsContact CG-OG1 3.31Å; D351-T354 PolarHBondContact N-OG1 3.15Å; D351-T354 PolarHBondContact O-N 3.38Å; D351-T354 PolarHBondContact O-OG1 3.48Å; D351-T354 WeakPolarHBondContact OD1-CB 3.33Å; D351-T354 WeakPolarHBondContact OD1-CG2 3.04Å; D351-T354 PolarHBondContact OD1-N 2.96Å; D351-T354 PolarHBondContact OD1-OG1 3.41Å; D351-L355 VanDerWaalsContact O-CB 3.28Å; D351-L355 WeakPolarHBondContact O-CB 3.18Å; D351-L355 PolarHBondContact O-N 3Å; D351-L397 HydrophobicContact CB-CD1 4.3Å | ||
| 352 | A | 86.6 | Confident | 91.6 | Very high | 63 Ų | 63 | 34.8 Ų | 34.8 | 52% | 0.521 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | I399 | A352-I399 HydrophobicContact CB-CG1 4.18Å; A352-I399 HydrophobicContact CB-CG2 4.25Å |
| 353 | V | 85.8 | Confident | 92.1 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 23% | 0.23 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -33 | -175.1 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | N155 L157 D351 | N155-V353 HydrophobicContact CB-CG1 3.65Å; L157-V353 HydrophobicContact CD2-CG1 4.43Å; L157-V353 HydrophobicContact CD2-CG2 4.23Å; D351-V353 PolarHBondContact O-N 3.44Å; D351-V353 VanDerWaalsContact O-N 3.16Å; D351-V353 WeakPolarHBondContact OD1-CA 2.94Å; D351-V353 PolarHBondContact OD1-N 3.38Å |
| 354 | T | 89.3 | Confident | 92.2 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -31.3 | -179.3 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | I178 D351 A357 F358 | I178-T354 HydrophobicContact CB-CG2 4.24Å; I178-T354 HydrophobicContact CD1-CG2 4.19Å; I178-T354 HydrophobicContact CG1-CG2 4.41Å; D351-T354 VanDerWaalsContact CG-OG1 3.31Å; D351-T354 PolarHBondContact N-OG1 3.15Å; D351-T354 PolarHBondContact O-N 3.38Å; D351-T354 PolarHBondContact O-OG1 3.48Å; D351-T354 WeakPolarHBondContact OD1-CB 3.33Å; D351-T354 WeakPolarHBondContact OD1-CG2 3.04Å; D351-T354 PolarHBondContact OD1-N 2.96Å; D351-T354 PolarHBondContact OD1-OG1 3.41Å; T354-A357 PolarHBondContact O-N 3.37Å; T354-F358 WeakPolarHBondContact O-CB 3.39Å; T354-F358 PolarHBondContact O-N 3.28Å; T354-F358 VanDerWaalsContact O-N 3.11Å |
| 355 | L | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.4 | -45.8 | -173.5 | -179.7 | 67.5 | 0 | 0 | 0 | 114.4 | L350 D351 A357 F358 L359 I390 I399 I401 | L350-L355 HydrophobicContact CD1-CD1 3.9Å; D351-L355 VanDerWaalsContact O-CB 3.28Å; D351-L355 WeakPolarHBondContact O-CB 3.18Å; D351-L355 PolarHBondContact O-N 3Å; L355-A357 PolarHBondContact O-N 3.02Å; L355-F358 PolarHBondContact O-N 2.95Å; L355-L359 HydrophobicContact CD1-CD1 3.85Å; L355-L359 HydrophobicContact CD1-CD2 4.4Å; L355-L359 HydrophobicContact CD1-CG 3.96Å; L355-L359 HydrophobicContact CG-CD1 3.88Å; L355-L359 HydrophobicContact CG-CG 4.37Å; L355-L359 VanDerWaalsContact O-CG 3.31Å; L355-L359 WeakPolarHBondContact O-CG 3.39Å; L355-L359 PolarHBondContact O-N 3.45Å; L355-I390 HydrophobicContact CD1-CG1 4.41Å; L355-I390 HydrophobicContact CD1-CG2 4.14Å; L355-I399 HydrophobicContact CD2-CG2 3.77Å; L355-I401 HydrophobicContact CD2-CG1 4.16Å |
| 356 | P | 92.6 | Very high | 92.8 | Very high | 60 Ų | 60 | 32.7 Ų | 32.7 | 39% | 0.39 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.6 | -45.8 | -176 | -24.9 | 36 | 0 | 0 | 0 | 113.7 | L359 E360 | P356-L359 PolarHBondContact O-N 3.38Å; P356-E360 PolarHBondContact O-N 3.18Å |
| 357 | A | 91.2 | Very high | 93 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T354 L355 L359 E360 D361 | T354-A357 PolarHBondContact O-N 3.37Å; L355-A357 PolarHBondContact O-N 3.02Å; A357-L359 VanDerWaalsContact C-N 3.3Å; A357-L359 PolarHBondContact O-N 2.84Å; A357-E360 WeakPolarHBondContact O-CB 3.26Å; A357-E360 PolarHBondContact O-N 2.86Å; A357-D361 PolarHBondContact O-N 3.12Å |
| 358 | F | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57 | -42.8 | 175.2 | 171.7 | -95.9 | 0 | 0 | 0 | 112.5 | I178 L343 E346 L350 T354 L355 E360 D361 L362 I386 I390 | I178-F358 HydrophobicContact CG2-CB 4.33Å; I178-F358 HydrophobicContact CG2-CD2 4.16Å; L343-F358 HydrophobicContact CB-CE2 4.02Å; L343-F358 HydrophobicContact CB-CZ 4.33Å; L343-F358 HydrophobicContact CD2-CD2 3.93Å; L343-F358 HydrophobicContact CD2-CE2 3.57Å; L343-F358 HydrophobicContact CD2-CZ 4.36Å; L343-F358 HydrophobicContact CG-CE2 4.42Å; L343-F358 VanDerWaalsContact O-CE2 3.29Å; L343-F358 WeakPolarHBondContact O-CE2 3.22Å; L343-F358 WeakPolarHBondContact O-CZ 2.96Å; E346-F358 HydrophobicContact CB-CD2 4.14Å; E346-F358 HydrophobicContact CB-CE2 3.9Å; L350-F358 HydrophobicContact CD1-CD1 3.77Å; L350-F358 HydrophobicContact CD1-CE1 3.84Å; L350-F358 HydrophobicContact CD1-CG 4.34Å; L350-F358 HydrophobicContact CD1-CZ 4.45Å; L350-F358 HydrophobicContact CD2-CB 3.72Å; L350-F358 HydrophobicContact CD2-CD1 3.83Å; L350-F358 HydrophobicContact CD2-CD2 3.95Å; L350-F358 HydrophobicContact CD2-CE1 4.47Å; L350-F358 HydrophobicContact CD2-CG 3.53Å; L350-F358 HydrophobicContact CG-CD1 4.46Å; T354-F358 WeakPolarHBondContact O-CB 3.39Å; T354-F358 PolarHBondContact O-N 3.28Å; T354-F358 VanDerWaalsContact O-N 3.11Å; L355-F358 PolarHBondContact O-N 2.95Å; F358-E360 VanDerWaalsContact C-N 3.32Å; F358-E360 PolarHBondContact O-N 2.88Å; F358-D361 PolarHBondContact O-N 2.65Å; F358-L362 HydrophobicContact CE1-CD2 4.32Å; F358-L362 WeakPolarHBondContact O-CB 2.98Å; F358-L362 PolarHBondContact O-N 3.2Å; F358-I386 HydrophobicContact CE1-CG2 3.96Å; F358-I386 HydrophobicContact CZ-CG2 3.78Å; F358-I390 HydrophobicContact CE1-CD1 4.17Å; F358-I390 HydrophobicContact CE1-CG1 4.31Å |
| 359 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.2 | -31.6 | 179.8 | -70.3 | 172.9 | 0 | 0 | 0 | 112.7 | L355 P356 A357 L362 K363 I390 N408 I409 | L355-L359 HydrophobicContact CD1-CD1 3.85Å; L355-L359 HydrophobicContact CD1-CD2 4.4Å; L355-L359 HydrophobicContact CD1-CG 3.96Å; L355-L359 HydrophobicContact CG-CD1 3.88Å; L355-L359 HydrophobicContact CG-CG 4.37Å; L355-L359 VanDerWaalsContact O-CG 3.31Å; L355-L359 WeakPolarHBondContact O-CG 3.39Å; L355-L359 PolarHBondContact O-N 3.45Å; P356-L359 PolarHBondContact O-N 3.38Å; A357-L359 VanDerWaalsContact C-N 3.3Å; A357-L359 PolarHBondContact O-N 2.84Å; L359-L362 HydrophobicContact CD2-CD2 4.31Å; L359-K363 WeakPolarHBondContact O-CB 3.35Å; L359-K363 PolarHBondContact O-N 3.39Å; L359-I390 HydrophobicContact CD2-CD1 3.56Å; L359-I390 HydrophobicContact CD2-CG1 4.37Å; L359-N408 HydrophobicContact CB-CB 4.09Å; L359-I409 HydrophobicContact CD1-CD1 3.91Å; L359-I409 HydrophobicContact CD1-CG1 3.97Å; L359-I409 HydrophobicContact CD2-CD1 4.1Å; L359-I409 HydrophobicContact CD2-CG1 3.51Å; L359-I409 HydrophobicContact CG-CG1 4.32Å |
| 360 | E | 95.8 | Very high | 93.9 | Very high | 109 Ų | 109 | 40.8 Ų | 40.8 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.3 | -42.1 | 172.9 | -173.2 | 175.2 | -174.3 | 0 | 0 | 111.8 | P356 A357 F358 K363 S364 | P356-E360 PolarHBondContact O-N 3.18Å; A357-E360 WeakPolarHBondContact O-CB 3.26Å; A357-E360 PolarHBondContact O-N 2.86Å; F358-E360 VanDerWaalsContact C-N 3.32Å; F358-E360 PolarHBondContact O-N 2.88Å; E360-K363 PolarHBondContact O-N 3.33Å; E360-S364 WeakPolarHBondContact O-CB 3.24Å; E360-S364 PolarHBondContact O-N 3.28Å; E360-S364 PolarHBondContact O-OG 2.87Å |
| 361 | D | 95.2 | Very high | 94.1 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 43% | 0.428 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 174 | -76.9 | -20.7 | 0 | 0 | 0 | 111.5 | L343 A357 F358 S364 A365 | L343-D361 HydrophobicContact CD2-CB 4.19Å; A357-D361 PolarHBondContact O-N 3.12Å; F358-D361 PolarHBondContact O-N 2.65Å; D361-S364 PolarHBondContact O-N 3.04Å; D361-A365 VanDerWaalsContact O-CB 3.27Å; D361-A365 WeakPolarHBondContact O-CB 3.13Å; D361-A365 PolarHBondContact O-N 3.31Å |
| 362 | L | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -49 | 176.2 | 178.2 | 63.2 | 0 | 0 | 0 | 111.5 | L343 F358 L359 S364 A365 T366 M383 I386 F387 I390 | L343-L362 HydrophobicContact CD1-CD1 4.03Å; F358-L362 HydrophobicContact CE1-CD2 4.32Å; F358-L362 WeakPolarHBondContact O-CB 2.98Å; F358-L362 PolarHBondContact O-N 3.2Å; L359-L362 HydrophobicContact CD2-CD2 4.31Å; L362-S364 PolarHBondContact O-N 3.34Å; L362-A365 PolarHBondContact O-N 3.02Å; L362-T366 WeakPolarHBondContact O-CB 3.35Å; L362-T366 PolarHBondContact O-N 3.1Å; L362-T366 PolarHBondContact O-OG1 3.09Å; L362-M383 HydrophobicContact CD1-CE 4.49Å; L362-I386 HydrophobicContact CD1-CD1 4.07Å; L362-I386 HydrophobicContact CD1-CG2 4.21Å; L362-I386 HydrophobicContact CD2-CG2 3.74Å; L362-F387 HydrophobicContact CD2-CE1 4.04Å; L362-I390 HydrophobicContact CD2-CD1 4.28Å |
| 363 | K | 97.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 45.9 Ų | 45.9 | 18% | 0.183 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57 | -52.1 | 174.8 | 175.7 | -161.5 | 57.5 | -171.5 | 0 | 111 | L359 E360 A365 T366 I367 N408 E411 S412 | L359-K363 WeakPolarHBondContact O-CB 3.35Å; L359-K363 PolarHBondContact O-N 3.39Å; E360-K363 PolarHBondContact O-N 3.33Å; K363-A365 VanDerWaalsContact C-N 3.32Å; K363-A365 PolarHBondContact O-N 2.87Å; K363-T366 PolarHBondContact O-N 3.2Å; K363-T366 VanDerWaalsContact O-N 3.13Å; K363-I367 HydrophobicContact CD-CD1 4.06Å; K363-I367 HydrophobicContact CG-CD1 3.65Å; K363-I367 HydrophobicContact CG-CG1 4.33Å; K363-I367 WeakPolarHBondContact O-CG1 3.27Å; K363-I367 PolarHBondContact O-N 3.36Å; K363-N408 HydrophobicContact CB-CB 4.29Å; K363-N408 WeakPolarHBondContact CD-OD1 3.49Å; K363-N408 WeakPolarHBondContact CE-OD1 3.37Å; K363-N408 PolarHBondContact NZ-OD1 3.43Å; K363-E411 HydrophobicContact CD-CB 4.46Å; K363-E411 WeakPolarHBondContact CD-OE2 3.35Å; K363-E411 HydrophobicContact CG-CB 4.32Å; K363-S412 WeakPolarHBondContact CA-OG 3.37Å; K363-S412 PolarHBondContact N-OG 3.27Å |
| 364 | S | 97.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -42.8 | -176.5 | -59 | 0 | 0 | 0 | 0 | 111.6 | E360 D361 L362 N368 | E360-S364 WeakPolarHBondContact O-CB 3.24Å; E360-S364 PolarHBondContact O-N 3.28Å; E360-S364 PolarHBondContact O-OG 2.87Å; D361-S364 PolarHBondContact O-N 3.04Å; L362-S364 PolarHBondContact O-N 3.34Å; S364-N368 VanDerWaalsContact O-CB 3.26Å; S364-N368 WeakPolarHBondContact O-CB 3.42Å; S364-N368 PolarHBondContact O-N 3.46Å; S364-N368 VanDerWaalsContact O-N 3.09Å; S364-N368 PolarHBondContact O-ND2 3.07Å |
| 365 | A | 96.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V339 I340 L343 D361 L362 K363 N369 | V339-A365 HydrophobicContact CG1-CB 4.31Å; V339-A365 HydrophobicContact CG2-CB 3.97Å; I340-A365 HydrophobicContact CD1-CB 4.32Å; L343-A365 HydrophobicContact CD1-CB 3.69Å; D361-A365 VanDerWaalsContact O-CB 3.27Å; D361-A365 WeakPolarHBondContact O-CB 3.13Å; D361-A365 PolarHBondContact O-N 3.31Å; L362-A365 PolarHBondContact O-N 3.02Å; K363-A365 VanDerWaalsContact C-N 3.32Å; K363-A365 PolarHBondContact O-N 2.87Å; A365-N369 WeakPolarHBondContact O-CB 3.14Å; A365-N369 PolarHBondContact O-N 3.06Å; A365-N369 PolarHBondContact O-ND2 3.31Å |
| 366 | T | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.6 | -48.1 | -179.6 | -52 | 0 | 0 | 0 | 0 | 111.6 | L362 K363 N369 S370 I373 M383 I415 | L362-T366 WeakPolarHBondContact O-CB 3.35Å; L362-T366 PolarHBondContact O-N 3.1Å; L362-T366 PolarHBondContact O-OG1 3.09Å; K363-T366 PolarHBondContact O-N 3.2Å; K363-T366 VanDerWaalsContact O-N 3.13Å; T366-N369 CarbonylContact O-C 3.51Å; T366-N369 PolarHBondContact O-N 3.27Å; T366-S370 VanDerWaalsContact O-CA 3.3Å; T366-S370 WeakPolarHBondContact O-CA 3.42Å; T366-S370 PolarHBondContact O-N 2.82Å; T366-I373 HydrophobicContact CG2-CD1 4.05Å; T366-M383 HydrophobicContact CG2-CE 3.55Å; T366-M383 HydrophobicContact CG2-SD 4.24Å; T366-M383 VanDerWaalsContact OG1-CE 3.24Å; T366-M383 WeakPolarHBondContact OG1-CE 3.29Å; T366-I415 HydrophobicContact CG2-CB 4.01Å; T366-I415 HydrophobicContact CG2-CD1 3.6Å; T366-I415 HydrophobicContact CG2-CG1 4.36Å; T366-I415 HydrophobicContact CG2-CG2 4.14Å |
| 367 | I | 95.8 | Very high | 95.5 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 41% | 0.41 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 179.7 | -68.4 | 173.6 | 0 | 0 | 0 | 110.7 | K363 N369 S370 I415 | K363-I367 HydrophobicContact CD-CD1 4.06Å; K363-I367 HydrophobicContact CG-CD1 3.65Å; K363-I367 HydrophobicContact CG-CG1 4.33Å; K363-I367 WeakPolarHBondContact O-CG1 3.27Å; K363-I367 PolarHBondContact O-N 3.36Å; I367-N369 PolarHBondContact O-N 2.82Å; I367-S370 PolarHBondContact O-N 3.41Å; I367-S370 PolarHBondContact O-OG 2.97Å; I367-I415 HydrophobicContact CB-CD1 4.45Å; I367-I415 HydrophobicContact CG1-CD1 3.81Å |
| 368 | N | 97.1 | Very high | 95.6 | Very high | 129 Ų | 129 | 44.9 Ų | 44.9 | 69% | 0.69 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67 | -22.5 | -176.4 | -70.9 | -24.4 | 0 | 0 | 0 | 113.6 | S364 | S364-N368 VanDerWaalsContact O-CB 3.26Å; S364-N368 WeakPolarHBondContact O-CB 3.42Å; S364-N368 PolarHBondContact O-N 3.46Å; S364-N368 VanDerWaalsContact O-N 3.09Å; S364-N368 PolarHBondContact O-ND2 3.07Å |
| 369 | N | 96.6 | Very high | 95.6 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 19.6 | -177.3 | -58.8 | -82.2 | 0 | 0 | 0 | 112.9 | L337 A365 T366 I367 K371 T372 I373 | L337-N369 HydrophobicContact CD2-CB 3.54Å; A365-N369 WeakPolarHBondContact O-CB 3.14Å; A365-N369 PolarHBondContact O-N 3.06Å; A365-N369 PolarHBondContact O-ND2 3.31Å; T366-N369 CarbonylContact O-C 3.51Å; T366-N369 PolarHBondContact O-N 3.27Å; I367-N369 PolarHBondContact O-N 2.82Å; N369-K371 PolarHBondContact O-N 2.79Å; N369-T372 PolarHBondContact O-N 3.1Å; N369-I373 HydrophobicContact CB-CD1 4Å; N369-I373 HydrophobicContact CB-CG1 4.27Å; N369-I373 WeakPolarHBondContact O-CG1 3.26Å; N369-I373 PolarHBondContact O-N 3.3Å |
| 370 | S | 95.6 | Very high | 95.5 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -46.2 | -53.3 | -171.9 | 50 | 0 | 0 | 0 | 0 | 113.1 | T366 I367 T372 I373 T374 | T366-S370 VanDerWaalsContact O-CA 3.3Å; T366-S370 WeakPolarHBondContact O-CA 3.42Å; T366-S370 PolarHBondContact O-N 2.82Å; I367-S370 PolarHBondContact O-N 3.41Å; I367-S370 PolarHBondContact O-OG 2.97Å; S370-T372 PolarHBondContact O-N 3.43Å; S370-I373 WeakPolarHBondContact O-CB 3.49Å; S370-I373 PolarHBondContact O-N 2.94Å; S370-T374 WeakPolarHBondContact O-CG2 3.22Å; S370-T374 PolarHBondContact O-N 3.25Å; S370-T374 PolarHBondContact O-OG1 2.9Å |
| 371 | K | 94.4 | Very high | 95.4 | Very high | 151 Ų | 151 | 39.9 Ų | 39.9 | 66% | 0.657 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.1 | -49.5 | 178.9 | -174.3 | 178.5 | 179.9 | -175.9 | 0 | 113.2 | N369 I373 T374 D375 | N369-K371 PolarHBondContact O-N 2.79Å; K371-I373 PolarHBondContact O-N 2.84Å; K371-T374 PolarHBondContact O-N 3.35Å; K371-T374 PolarHBondContact O-OG1 2.75Å; K371-T374 VanDerWaalsContact O-OG1 3.06Å; K371-D375 WeakPolarHBondContact CG-OD2 3.46Å; K371-D375 WeakPolarHBondContact O-CB 3.2Å; K371-D375 PolarHBondContact O-N 3.06Å |
| 372 | T | 93.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 36.3 Ų | 36.3 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.4 | -30.6 | -179.3 | -49.3 | 0 | 0 | 0 | 0 | 112 | L337 N369 S370 S376 | L337-T372 HydrophobicContact CD1-CG2 4.01Å; N369-T372 PolarHBondContact O-N 3.1Å; S370-T372 PolarHBondContact O-N 3.43Å; T372-S376 WeakPolarHBondContact O-CB 3.33Å |
| 373 | I | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74 | -50.1 | 176.2 | -68.3 | 167 | 0 | 0 | 0 | 110.4 | L337 I340 T366 N369 S370 K371 D375 S376 T379 I380 M383 L416 | L337-I373 HydrophobicContact CD2-CG1 4.21Å; I340-I373 HydrophobicContact CD1-CD1 4.05Å; I340-I373 HydrophobicContact CG1-CD1 4.24Å; I340-I373 HydrophobicContact CG1-CG1 4.39Å; T366-I373 HydrophobicContact CG2-CD1 4.05Å; N369-I373 HydrophobicContact CB-CD1 4Å; N369-I373 HydrophobicContact CB-CG1 4.27Å; N369-I373 WeakPolarHBondContact O-CG1 3.26Å; N369-I373 PolarHBondContact O-N 3.3Å; S370-I373 WeakPolarHBondContact O-CB 3.49Å; S370-I373 PolarHBondContact O-N 2.94Å; K371-I373 PolarHBondContact O-N 2.84Å; I373-D375 PolarHBondContact O-N 3.36Å; I373-S376 PolarHBondContact O-N 2.83Å; I373-S376 VanDerWaalsContact O-N 3.1Å; I373-T379 HydrophobicContact CB-CG2 4.35Å; I373-T379 HydrophobicContact CG1-CG2 3.88Å; I373-T379 HydrophobicContact CG2-CG2 4.31Å; I373-I380 HydrophobicContact CG2-CG1 4.48Å; I373-I380 WeakPolarHBondContact O-CG1 3.24Å; I373-M383 HydrophobicContact CD1-SD 4.08Å; I373-M383 HydrophobicContact CG1-SD 4.48Å; I373-M383 HydrophobicContact CG2-SD 3.49Å; I373-M383 WeakPolarHBondContact CG2-SD 3.48Å; I373-L416 HydrophobicContact CG2-CD2 3.69Å |
| 374 | T | 96.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -29.4 | -177.5 | 56 | 0 | 0 | 0 | 0 | 112.6 | S370 K371 S376 I415 A420 A421 S424 | S370-T374 WeakPolarHBondContact O-CG2 3.22Å; S370-T374 PolarHBondContact O-N 3.25Å; S370-T374 PolarHBondContact O-OG1 2.9Å; K371-T374 PolarHBondContact O-N 3.35Å; K371-T374 PolarHBondContact O-OG1 2.75Å; K371-T374 VanDerWaalsContact O-OG1 3.06Å; T374-S376 VanDerWaalsContact C-N 3.29Å; T374-S376 PolarHBondContact O-N 3.03Å; T374-I415 HydrophobicContact CG2-CG2 4.07Å; T374-A420 HydrophobicContact CG2-CB 4.22Å; T374-A421 HydrophobicContact CG2-CB 3.96Å; T374-S424 WeakPolarHBondContact O-CB 3.44Å; T374-S424 PolarHBondContact O-OG 3.17Å |
| 375 | D | 94.4 | Very high | 95.3 | Very high | 99 Ų | 99 | 35.8 Ų | 35.8 | 53% | 0.529 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 2.9 | 178 | -61.3 | -7.9 | 0 | 0 | 0 | 113.1 | K371 I373 | K371-D375 WeakPolarHBondContact CG-OD2 3.46Å; K371-D375 WeakPolarHBondContact O-CB 3.2Å; K371-D375 PolarHBondContact O-N 3.06Å; I373-D375 PolarHBondContact O-N 3.36Å |
| 376 | S | 93.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | trans | -129.5 | 102.2 | -173.3 | 177.5 | 0 | 0 | 0 | 0 | 113 | C335 T372 I373 T374 A378 T379 I380 S424 | C335-S376 PolarHBondContact O-OG 2.81Å; T372-S376 WeakPolarHBondContact O-CB 3.33Å; I373-S376 PolarHBondContact O-N 2.83Å; I373-S376 VanDerWaalsContact O-N 3.1Å; T374-S376 VanDerWaalsContact C-N 3.29Å; T374-S376 PolarHBondContact O-N 3.03Å; S376-A378 VanDerWaalsContact C-N 3.31Å; S376-A378 PolarHBondContact O-N 2.92Å; S376-T379 WeakPolarHBondContact CB-OG1 3.49Å; S376-T379 PolarHBondContact O-N 1.99Å; S376-T379 VanDerWaalsContact O-N 3.08Å; S376-T379 WeakPolarHBondContact OG-CB 3.35Å; S376-T379 PolarHBondContact OG-N 2.83Å; S376-T379 PolarHBondContact OG-OG1 2.94Å; S376-I380 WeakPolarHBondContact O-CG1 3.5Å; S376-I380 PolarHBondContact O-N 2.81Å; S376-S424 PolarHBondContact N-OG 2.01Å | ||
| 377 | P | 92.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.5 | -45.8 | 175 | -26.2 | 31.4 | 0 | 0 | 0 | 113.5 | T379 I380 S381 E427 L428 | P377-T379 VanDerWaalsContact C-N 3.35Å; P377-T379 PolarHBondContact O-N 2.93Å; P377-I380 PolarHBondContact O-N 2.86Å; P377-S381 PolarHBondContact O-N 3.26Å; P377-E427 HydrophobicContact CG-CB 4.17Å; P377-E427 HydrophobicContact CG-CG 4.29Å; P377-E427 WeakPolarHBondContact CG-OE2 3.35Å; P377-L428 HydrophobicContact CB-CD1 4.49Å; P377-L428 HydrophobicContact CB-CD2 3.96Å; P377-L428 HydrophobicContact CB-CG 3.95Å |
| 378 | A | 92 | Very high | 95.3 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V336 S376 S381 A382 | V336-A378 HydrophobicContact CG2-CB 4.04Å; S376-A378 VanDerWaalsContact C-N 3.31Å; S376-A378 PolarHBondContact O-N 2.92Å; A378-S381 PolarHBondContact O-N 3.39Å; A378-A382 PolarHBondContact O-N 3.44Å |
| 379 | T | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.5 | -40.1 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | L337 I340 I373 S376 P377 A382 M383 | L337-T379 HydrophobicContact CB-CG2 3.85Å; L337-T379 PolarHBondContact N-OG1 2.9Å; L337-T379 VanDerWaalsContact N-OG1 3.09Å; I340-T379 HydrophobicContact CB-CG2 4.09Å; I340-T379 HydrophobicContact CG1-CG2 3.9Å; I340-T379 HydrophobicContact CG2-CG2 4.1Å; I373-T379 HydrophobicContact CB-CG2 4.35Å; I373-T379 HydrophobicContact CG1-CG2 3.88Å; I373-T379 HydrophobicContact CG2-CG2 4.31Å; S376-T379 WeakPolarHBondContact CB-OG1 3.49Å; S376-T379 PolarHBondContact O-N 1.99Å; S376-T379 VanDerWaalsContact O-N 3.08Å; S376-T379 WeakPolarHBondContact OG-CB 3.35Å; S376-T379 PolarHBondContact OG-N 2.83Å; S376-T379 PolarHBondContact OG-OG1 2.94Å; P377-T379 VanDerWaalsContact C-N 3.35Å; P377-T379 PolarHBondContact O-N 2.93Å; T379-A382 WeakPolarHBondContact O-CB 3.43Å; T379-A382 PolarHBondContact O-N 2.67Å; T379-M383 WeakPolarHBondContact O-CG 3.43Å; T379-M383 PolarHBondContact O-N 2.77Å |
| 380 | I | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 172.3 | -66.6 | -174.4 | 0 | 0 | 0 | 110.3 | I373 S376 P377 A382 M383 V384 L416 A421 W425 L428 | I373-I380 HydrophobicContact CG2-CG1 4.48Å; I373-I380 WeakPolarHBondContact O-CG1 3.24Å; S376-I380 WeakPolarHBondContact O-CG1 3.5Å; S376-I380 PolarHBondContact O-N 2.81Å; P377-I380 PolarHBondContact O-N 2.86Å; I380-A382 VanDerWaalsContact C-N 3.3Å; I380-A382 PolarHBondContact O-N 2.89Å; I380-M383 WeakPolarHBondContact O-CA 3.37Å; I380-M383 WeakPolarHBondContact O-CB 3.16Å; I380-M383 PolarHBondContact O-N 2.67Å; I380-V384 WeakPolarHBondContact O-CG2 3.3Å; I380-V384 PolarHBondContact O-N 3.42Å; I380-L416 HydrophobicContact CG1-CD2 4.1Å; I380-A421 HydrophobicContact CD1-CB 4.06Å; I380-W425 HydrophobicContact CG2-CD2 4.11Å; I380-W425 HydrophobicContact CG2-CE3 4.26Å; I380-W425 HydrophobicContact CG2-CH2 3.51Å; I380-W425 HydrophobicContact CG2-CZ2 3.3Å; I380-W425 HydrophobicContact CG2-CZ3 3.97Å; I380-L428 HydrophobicContact CB-CD1 4.26Å; I380-L428 HydrophobicContact CG2-CD1 3.97Å |
| 381 | S | 94.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.2 | -40 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 112.2 | P377 A378 M383 V384 K385 N439 S442 | P377-S381 PolarHBondContact O-N 3.26Å; A378-S381 PolarHBondContact O-N 3.39Å; S381-M383 VanDerWaalsContact C-N 3.34Å; S381-M383 PolarHBondContact O-N 2.94Å; S381-V384 WeakPolarHBondContact O-CB 3.26Å; S381-V384 PolarHBondContact O-N 2.97Å; S381-K385 WeakPolarHBondContact O-CG 3.12Å; S381-K385 PolarHBondContact O-N 2.93Å; S381-N439 PolarHBondContact OG-OD1 3.1Å; S381-S442 PolarHBondContact OG-OG 3.06Å |
| 382 | A | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V336 I340 L344 A378 T379 I380 K385 I386 | V336-A382 HydrophobicContact CG1-CB 3.71Å; V336-A382 HydrophobicContact CG2-CB 4.34Å; I340-A382 HydrophobicContact CG2-CB 4.09Å; L344-A382 HydrophobicContact CD2-CB 4.03Å; A378-A382 PolarHBondContact O-N 3.44Å; T379-A382 WeakPolarHBondContact O-CB 3.43Å; T379-A382 PolarHBondContact O-N 2.67Å; I380-A382 VanDerWaalsContact C-N 3.3Å; I380-A382 PolarHBondContact O-N 2.89Å; A382-K385 PolarHBondContact O-N 2.85Å; A382-I386 WeakPolarHBondContact O-CG1 3.26Å; A382-I386 PolarHBondContact O-N 2.72Å |
| 383 | M | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 174.9 | -71.2 | -170.2 | 66.3 | 0 | 0 | 113 | I340 L362 T366 I373 T379 I380 S381 K385 I386 F387 L416 | I340-M383 HydrophobicContact CD1-CG 4.42Å; I340-M383 HydrophobicContact CD1-SD 4.35Å; I340-M383 HydrophobicContact CG2-CG 3.67Å; L362-M383 HydrophobicContact CD1-CE 4.49Å; T366-M383 HydrophobicContact CG2-CE 3.55Å; T366-M383 HydrophobicContact CG2-SD 4.24Å; T366-M383 VanDerWaalsContact OG1-CE 3.24Å; T366-M383 WeakPolarHBondContact OG1-CE 3.29Å; I373-M383 HydrophobicContact CD1-SD 4.08Å; I373-M383 HydrophobicContact CG1-SD 4.48Å; I373-M383 HydrophobicContact CG2-SD 3.49Å; I373-M383 WeakPolarHBondContact CG2-SD 3.48Å; T379-M383 WeakPolarHBondContact O-CG 3.43Å; T379-M383 PolarHBondContact O-N 2.77Å; I380-M383 WeakPolarHBondContact O-CA 3.37Å; I380-M383 WeakPolarHBondContact O-CB 3.16Å; I380-M383 PolarHBondContact O-N 2.67Å; S381-M383 VanDerWaalsContact C-N 3.34Å; S381-M383 PolarHBondContact O-N 2.94Å; M383-K385 VanDerWaalsContact C-N 3.29Å; M383-K385 PolarHBondContact O-N 2.79Å; M383-I386 WeakPolarHBondContact O-CB 3.38Å; M383-I386 PolarHBondContact O-N 3.11Å; M383-I386 VanDerWaalsContact O-N 3.11Å; M383-F387 HydrophobicContact CB-CE2 4.46Å; M383-F387 HydrophobicContact CE-CE2 4.35Å; M383-F387 HydrophobicContact CE-CZ 4.37Å; M383-F387 WeakPolarHBondContact O-CD2 3.47Å; M383-F387 PolarHBondContact O-N 2.92Å; M383-L416 HydrophobicContact CB-CD1 3.9Å; M383-L416 HydrophobicContact CE-CD1 4.15Å; M383-L416 HydrophobicContact CE-CD2 4.29Å; M383-L416 HydrophobicContact CE-CG 4.33Å; M383-L416 HydrophobicContact SD-CD1 4.32Å; M383-L416 HydrophobicContact SD-CD2 3.84Å; M383-L416 HydrophobicContact SD-CG 4.46Å |
| 384 | V | 96.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 172.3 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | I380 S381 I386 F387 A388 W425 F446 | I380-V384 WeakPolarHBondContact O-CG2 3.3Å; I380-V384 PolarHBondContact O-N 3.42Å; S381-V384 WeakPolarHBondContact O-CB 3.26Å; S381-V384 PolarHBondContact O-N 2.97Å; V384-I386 VanDerWaalsContact C-N 3.29Å; V384-I386 PolarHBondContact O-N 3.17Å; V384-F387 PolarHBondContact O-N 2.68Å; V384-A388 PolarHBondContact O-N 3Å; V384-W425 HydrophobicContact CG2-CH2 3.61Å; V384-W425 HydrophobicContact CG2-CZ2 4.44Å; V384-W425 HydrophobicContact CG2-CZ3 4.41Å; V384-F446 HydrophobicContact CG1-CB 4.09Å; V384-F446 HydrophobicContact CG2-CB 3.88Å; V384-F446 HydrophobicContact CG2-CD2 4.02Å; V384-F446 HydrophobicContact CG2-CG 4.32Å |
| 385 | K | 95.7 | Very high | 94.9 | Very high | 72 Ų | 72 | 29.3 Ų | 29.3 | 31% | 0.313 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 176.1 | -68.2 | 177.7 | -174 | -178.5 | 0 | 112 | L344 S381 A382 M383 A388 N389 E438 N439 | L344-K385 HydrophobicContact CD1-CB 3.67Å; S381-K385 WeakPolarHBondContact O-CG 3.12Å; S381-K385 PolarHBondContact O-N 2.93Å; A382-K385 PolarHBondContact O-N 2.85Å; M383-K385 VanDerWaalsContact C-N 3.29Å; M383-K385 PolarHBondContact O-N 2.79Å; K385-A388 PolarHBondContact O-N 2.85Å; K385-N389 WeakPolarHBondContact O-CB 3.42Å; K385-N389 VanDerWaalsContact O-CG 3.29Å; K385-N389 PolarHBondContact O-N 2.83Å; K385-N389 PolarHBondContact O-ND2 2.92Å; K385-E438 IonicContact NZ-OE2 2.67Å; K385-N439 PolarHBondContact NZ-OD1 3.01Å; K385-N439 VanDerWaalsContact NZ-OD1 3.08Å |
| 386 | I | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.3 | -50.5 | 172.4 | -69.2 | 167.1 | 0 | 0 | 0 | 110.9 | I340 L343 L344 F358 L362 A382 M383 V384 A388 N389 I390 | I340-I386 HydrophobicContact CG2-CD1 4.05Å; L343-I386 HydrophobicContact CB-CD1 3.96Å; L344-I386 HydrophobicContact CB-CD1 4.14Å; L344-I386 HydrophobicContact CB-CG1 3.91Å; L344-I386 HydrophobicContact CD1-CG1 3.88Å; F358-I386 HydrophobicContact CE1-CG2 3.96Å; F358-I386 HydrophobicContact CZ-CG2 3.78Å; L362-I386 HydrophobicContact CD1-CD1 4.07Å; L362-I386 HydrophobicContact CD1-CG2 4.21Å; L362-I386 HydrophobicContact CD2-CG2 3.74Å; A382-I386 WeakPolarHBondContact O-CG1 3.26Å; A382-I386 PolarHBondContact O-N 2.72Å; M383-I386 WeakPolarHBondContact O-CB 3.38Å; M383-I386 PolarHBondContact O-N 3.11Å; M383-I386 VanDerWaalsContact O-N 3.11Å; V384-I386 VanDerWaalsContact C-N 3.29Å; V384-I386 PolarHBondContact O-N 3.17Å; I386-A388 VanDerWaalsContact C-N 3.35Å; I386-A388 PolarHBondContact O-N 3.26Å; I386-N389 WeakPolarHBondContact O-CB 3.2Å; I386-N389 PolarHBondContact O-N 2.92Å; I386-I390 HydrophobicContact CG2-CD1 3.97Å; I386-I390 WeakPolarHBondContact O-CG1 3.36Å; I386-I390 PolarHBondContact O-N 2.67Å |
| 387 | F | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 178.6 | -64.4 | -58.5 | 0 | 0 | 0 | 112.1 | L362 M383 V384 N389 I390 G391 I409 A413 L416 F446 A449 I453 | L362-F387 HydrophobicContact CD2-CE1 4.04Å; M383-F387 HydrophobicContact CB-CE2 4.46Å; M383-F387 HydrophobicContact CE-CE2 4.35Å; M383-F387 HydrophobicContact CE-CZ 4.37Å; M383-F387 WeakPolarHBondContact O-CD2 3.47Å; M383-F387 PolarHBondContact O-N 2.92Å; V384-F387 PolarHBondContact O-N 2.68Å; F387-N389 VanDerWaalsContact C-N 3.32Å; F387-N389 PolarHBondContact O-N 3.44Å; F387-I390 HydrophobicContact CD1-CD1 4.13Å; F387-I390 WeakPolarHBondContact O-CB 3.18Å; F387-I390 PolarHBondContact O-N 2.96Å; F387-G391 PolarHBondContact O-N 3.32Å; F387-I409 HydrophobicContact CD1-CG2 4.15Å; F387-I409 HydrophobicContact CE1-CG2 4.05Å; F387-A413 HydrophobicContact CE1-CB 4.38Å; F387-A413 HydrophobicContact CE2-CB 4.19Å; F387-A413 HydrophobicContact CZ-CB 3.86Å; F387-L416 HydrophobicContact CE2-CD1 3.9Å; F387-F446 HydrophobicContact CD2-CD2 4.14Å; F387-F446 AromaticContact CD2-CE2 3.94Å; F387-F446 HydrophobicContact CD2-CE2 3.94Å; F387-F446 AromaticContact CE2-CE2 3.96Å; F387-F446 HydrophobicContact CE2-CE2 3.96Å; F387-A449 HydrophobicContact CB-CB 3.76Å; F387-I453 HydrophobicContact CB-CD1 4.41Å |
| 388 | A | 95.4 | Very high | 94.6 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V384 K385 I386 G391 R392 A449 | V384-A388 PolarHBondContact O-N 3Å; K385-A388 PolarHBondContact O-N 2.85Å; I386-A388 VanDerWaalsContact C-N 3.35Å; I386-A388 PolarHBondContact O-N 3.26Å; A388-G391 PolarHBondContact O-N 3.4Å; A388-R392 WeakPolarHBondContact O-CB 3.38Å; A388-R392 PolarHBondContact O-N 3.33Å; A388-A449 HydrophobicContact CB-CB 4.46Å |
| 389 | N | 95.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.4 | -77.2 | -19.2 | 0 | 0 | 0 | 111.5 | S347 K385 I386 F387 G391 R392 R393 | S347-N389 PolarHBondContact OG-ND2 2.88Å; K385-N389 WeakPolarHBondContact O-CB 3.42Å; K385-N389 VanDerWaalsContact O-CG 3.29Å; K385-N389 PolarHBondContact O-N 2.83Å; K385-N389 PolarHBondContact O-ND2 2.92Å; I386-N389 WeakPolarHBondContact O-CB 3.2Å; I386-N389 PolarHBondContact O-N 2.92Å; F387-N389 VanDerWaalsContact C-N 3.32Å; F387-N389 PolarHBondContact O-N 3.44Å; N389-G391 PolarHBondContact O-N 3Å; N389-R392 PolarHBondContact O-N 2.94Å; N389-R392 PolarHBondContact OD1-NH1 2.84Å; N389-R393 WeakPolarHBondContact O-CB 3.45Å; N389-R393 WeakPolarHBondContact O-CG 3.28Å; N389-R393 PolarHBondContact O-N 3.27Å |
| 390 | I | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.5 | -51.3 | 175.7 | -66.9 | 158.2 | 0 | 0 | 0 | 110.6 | L350 L355 F358 L359 L362 I386 F387 R392 R393 A394 I401 I409 I453 | L350-I390 HydrophobicContact CD1-CG1 4.03Å; L355-I390 HydrophobicContact CD1-CG1 4.41Å; L355-I390 HydrophobicContact CD1-CG2 4.14Å; F358-I390 HydrophobicContact CE1-CD1 4.17Å; F358-I390 HydrophobicContact CE1-CG1 4.31Å; L359-I390 HydrophobicContact CD2-CD1 3.56Å; L359-I390 HydrophobicContact CD2-CG1 4.37Å; L362-I390 HydrophobicContact CD2-CD1 4.28Å; I386-I390 HydrophobicContact CG2-CD1 3.97Å; I386-I390 WeakPolarHBondContact O-CG1 3.36Å; I386-I390 PolarHBondContact O-N 2.67Å; F387-I390 HydrophobicContact CD1-CD1 4.13Å; F387-I390 WeakPolarHBondContact O-CB 3.18Å; F387-I390 PolarHBondContact O-N 2.96Å; I390-R392 PolarHBondContact O-N 2.69Å; I390-R393 PolarHBondContact O-N 3.15Å; I390-A394 VanDerWaalsContact O-CB 3.28Å; I390-A394 WeakPolarHBondContact O-CB 3.35Å; I390-A394 PolarHBondContact O-N 3.14Å; I390-I401 HydrophobicContact CG2-CD1 4.46Å; I390-I409 HydrophobicContact CG2-CD1 4.31Å; I390-I453 HydrophobicContact CB-CD1 4.31Å; I390-I453 HydrophobicContact CG2-CD1 4.16Å; I390-I453 HydrophobicContact CG2-CG1 4.14Å |
| 391 | G | 93.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F387 A388 N389 R393 A394 N395 | F387-G391 PolarHBondContact O-N 3.32Å; A388-G391 PolarHBondContact O-N 3.4Å; N389-G391 PolarHBondContact O-N 3Å; G391-R393 PolarHBondContact O-N 3.5Å; G391-A394 PolarHBondContact O-N 3.3Å; G391-N395 WeakPolarHBondContact O-CB 3.41Å; G391-N395 PolarHBondContact O-N 3.05Å |
| 392 | R | 94.7 | Very high | 94.4 | Very high | 163 Ų | 163 | 48.8 Ų | 48.8 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.8 | -44.4 | 178.4 | -170.8 | -170.4 | -60 | 152.1 | 2.2 | 112.5 | A388 N389 I390 N395 S396 | A388-R392 WeakPolarHBondContact O-CB 3.38Å; A388-R392 PolarHBondContact O-N 3.33Å; N389-R392 PolarHBondContact O-N 2.94Å; N389-R392 PolarHBondContact OD1-NH1 2.84Å; I390-R392 PolarHBondContact O-N 2.69Å; R392-N395 PolarHBondContact O-N 3.37Å; R392-S396 WeakPolarHBondContact O-CB 3.49Å; R392-S396 PolarHBondContact O-N 3.3Å |
| 393 | R | 93.3 | Very high | 94.4 | Very high | 70 Ų | 70 | 53.7 Ų | 53.7 | 26% | 0.264 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 179.2 | -66.2 | -58.4 | -64.2 | -178.6 | -8.8 | 111.1 | L350 N389 I390 G391 N395 S396 L397 | L350-R393 HydrophobicContact CB-CB 4.45Å; L350-R393 HydrophobicContact CB-CG 4.33Å; L350-R393 VanDerWaalsContact O-CZ 3.31Å; L350-R393 PolarHBondContact O-NE 3.24Å; L350-R393 PolarHBondContact O-NH2 3.28Å; N389-R393 WeakPolarHBondContact O-CB 3.45Å; N389-R393 WeakPolarHBondContact O-CG 3.28Å; N389-R393 PolarHBondContact O-N 3.27Å; I390-R393 PolarHBondContact O-N 3.15Å; G391-R393 PolarHBondContact O-N 3.5Å; R393-N395 VanDerWaalsContact C-N 3.3Å; R393-N395 PolarHBondContact O-N 3.44Å; R393-S396 PolarHBondContact O-N 2.97Å; R393-L397 WeakPolarHBondContact O-CB 3.23Å; R393-L397 PolarHBondContact O-N 3.43Å |
| 394 | A | 94.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I390 G391 R398 I399 I401 H456 | I390-A394 VanDerWaalsContact O-CB 3.28Å; I390-A394 WeakPolarHBondContact O-CB 3.35Å; I390-A394 PolarHBondContact O-N 3.14Å; G391-A394 PolarHBondContact O-N 3.3Å; A394-R398 CarbonylContact O-C 3.52Å; A394-R398 WeakPolarHBondContact O-CA 3.41Å; A394-R398 PolarHBondContact O-N 3.46Å; A394-I399 HydrophobicContact CB-CB 4.46Å; A394-I399 PolarHBondContact O-N 2.85Å; A394-I401 HydrophobicContact CB-CD1 4.22Å; A394-H456 HydrophobicContact CB-CB 3.88Å |
| 395 | N | 92.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.6 | -53.2 | 175.7 | -171.8 | 32.5 | 0 | 0 | 0 | 113 | G391 R392 R393 L397 R398 H456 | G391-N395 WeakPolarHBondContact O-CB 3.41Å; G391-N395 PolarHBondContact O-N 3.05Å; R392-N395 PolarHBondContact O-N 3.37Å; R393-N395 VanDerWaalsContact C-N 3.3Å; R393-N395 PolarHBondContact O-N 3.44Å; N395-L397 VanDerWaalsContact C-N 3.26Å; N395-L397 PolarHBondContact O-N 3.07Å; N395-R398 PolarHBondContact O-N 3.44Å; N395-H456 VanDerWaalsContact CA-CE1 3.43Å; N395-H456 WeakPolarHBondContact CA-CE1 3.23Å; N395-H456 WeakPolarHBondContact CA-NE2 3.39Å; N395-H456 WeakPolarHBondContact CB-NE2 3.48Å; N395-H456 PolarHBondContact N-NE2 3.25Å |
| 396 | S | 92.6 | Very high | 94.4 | Very high | 86 Ų | 86 | 53.1 Ų | 53.1 | 60% | 0.601 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.6 | -32.7 | -176.5 | -180 | 0 | 0 | 0 | 0 | 113.5 | R392 R393 | R392-S396 WeakPolarHBondContact O-CB 3.49Å; R392-S396 PolarHBondContact O-N 3.3Å; R393-S396 PolarHBondContact O-N 2.97Å |
| 397 | L | 89.8 | Confident | 94.3 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 42% | 0.419 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -106.5 | 1.2 | -176.7 | -64.6 | 179.1 | 0 | 0 | 0 | 113.3 | L350 D351 R393 N395 I399 | L350-L397 WeakPolarHBondContact O-CD1 3.48Å; D351-L397 HydrophobicContact CB-CD1 4.3Å; R393-L397 WeakPolarHBondContact O-CB 3.23Å; R393-L397 PolarHBondContact O-N 3.43Å; N395-L397 VanDerWaalsContact C-N 3.26Å; N395-L397 PolarHBondContact O-N 3.07Å; L397-I399 HydrophobicContact CB-CD1 3.97Å; L397-I399 HydrophobicContact CB-CG1 3.74Å; L397-I399 HydrophobicContact CD1-CD1 4.03Å; L397-I399 PolarHBondContact O-N 2.94Å |
| 398 | R | 90.7 | Very high | 94.3 | Very high | 220 Ų | 220 | 57.5 Ų | 57.5 | 83% | 0.83 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 43.3 | -174.3 | -59.2 | -178.9 | 176.7 | 151.8 | -1.5 | 112.6 | A394 N395 | A394-R398 CarbonylContact O-C 3.52Å; A394-R398 WeakPolarHBondContact O-CA 3.41Å; A394-R398 PolarHBondContact O-N 3.46Å; N395-R398 PolarHBondContact O-N 3.44Å |
| 399 | I | 91.5 | Very high | 94.4 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 135.5 | 178.6 | -57.1 | 167.7 | 0 | 0 | 0 | 108.2 | A352 L355 A394 L397 H456 | A352-I399 HydrophobicContact CB-CG1 4.18Å; A352-I399 HydrophobicContact CB-CG2 4.25Å; L355-I399 HydrophobicContact CD2-CG2 3.77Å; A394-I399 HydrophobicContact CB-CB 4.46Å; A394-I399 PolarHBondContact O-N 2.85Å; L397-I399 HydrophobicContact CB-CD1 3.97Å; L397-I399 HydrophobicContact CB-CG1 3.74Å; L397-I399 HydrophobicContact CD1-CD1 4.03Å; L397-I399 PolarHBondContact O-N 2.94Å; I399-H456 WeakPolarHBondContact O-CB 3.22Å |
| 400 | T | 93.5 | Very high | 94.5 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 125.5 | 169.7 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | H456 V458 | T400-H456 CarbonylContact C-O 3.47Å; T400-H456 WeakPolarHBondContact CA-O 3.49Å; T400-V458 HydrophobicContact CG2-CB 4.4Å; T400-V458 HydrophobicContact CG2-CG1 3.67Å |
| 401 | I | 94.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 117.7 | -177.5 | -56.6 | 176.9 | 0 | 0 | 0 | 109.1 | L355 I390 A394 I409 I453 H456 V458 | L355-I401 HydrophobicContact CD2-CG1 4.16Å; I390-I401 HydrophobicContact CG2-CD1 4.46Å; A394-I401 HydrophobicContact CB-CD1 4.22Å; I401-I409 HydrophobicContact CG2-CD1 4.22Å; I401-I453 HydrophobicContact CD1-CG2 3.79Å; I401-H456 HydrophobicContact CD1-CB 4.05Å; I401-H456 HydrophobicContact CG1-CB 4.16Å; I401-H456 PolarHBondContact N-O 2.84Å; I401-V458 WeakPolarHBondContact O-CG1 3.47Å; I401-V458 PolarHBondContact O-N 3.48Å |
| 402 | S | 94.8 | Very high | 94.7 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 161 | -178.8 | 79.5 | 0 | 0 | 0 | 0 | 112.8 | A404 S405 T406 | S402-A404 VanDerWaalsContact C-N 3.32Å; S402-A404 PolarHBondContact O-N 3.08Å; S402-S405 WeakPolarHBondContact O-CB 3.43Å; S402-S405 PolarHBondContact O-N 2.75Å; S402-S405 VanDerWaalsContact O-N 3.11Å; S402-S405 WeakPolarHBondContact OG-CB 3.47Å; S402-S405 PolarHBondContact OG-N 3.39Å; S402-S405 VanDerWaalsContact OG-N 3.17Å; S402-S405 PolarHBondContact OG-OG 3.3Å; S402-T406 PolarHBondContact O-N 2.94Å; S402-T406 PolarHBondContact O-OG1 2.91Å; S402-T406 VanDerWaalsContact O-OG1 3.11Å |
| 403 | K | 94.7 | Very high | 94.8 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -48.9 | -50.1 | 172.8 | 171.6 | 175 | -170.3 | -178.8 | 0 | 112.9 | S405 T406 E407 L462 I464 | K403-S405 VanDerWaalsContact C-N 3.32Å; K403-S405 PolarHBondContact O-N 2.96Å; K403-T406 PolarHBondContact O-N 2.81Å; K403-E407 PolarHBondContact O-N 2.82Å; K403-L462 HydrophobicContact CB-CD1 3.92Å; K403-L462 HydrophobicContact CD-CD1 3.55Å; K403-L462 HydrophobicContact CG-CD1 3.68Å; K403-I464 HydrophobicContact CG-CD1 4.17Å; K403-I464 HydrophobicContact CG-CG1 4.48Å |
| 404 | A | 95.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -36.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | S402 E407 N408 | S402-A404 VanDerWaalsContact C-N 3.32Å; S402-A404 PolarHBondContact O-N 3.08Å; A404-E407 PolarHBondContact O-N 3.46Å; A404-N408 PolarHBondContact O-N 3.34Å; A404-N408 PolarHBondContact O-ND2 2.92Å |
| 405 | S | 96.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 173.9 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | S402 K403 N408 I409 | S402-S405 WeakPolarHBondContact O-CB 3.43Å; S402-S405 PolarHBondContact O-N 2.75Å; S402-S405 VanDerWaalsContact O-N 3.11Å; S402-S405 WeakPolarHBondContact OG-CB 3.47Å; S402-S405 PolarHBondContact OG-N 3.39Å; S402-S405 VanDerWaalsContact OG-N 3.17Å; S402-S405 PolarHBondContact OG-OG 3.3Å; K403-S405 VanDerWaalsContact C-N 3.32Å; K403-S405 PolarHBondContact O-N 2.96Å; S405-N408 PolarHBondContact O-N 3.21Å; S405-I409 WeakPolarHBondContact O-CG1 3.41Å; S405-I409 PolarHBondContact O-N 3.33Å; S405-I409 VanDerWaalsContact O-N 3.08Å |
| 406 | T | 96.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 111 | S402 K403 N408 I409 L410 V457 I464 F471 | S402-T406 PolarHBondContact O-N 2.94Å; S402-T406 PolarHBondContact O-OG1 2.91Å; S402-T406 VanDerWaalsContact O-OG1 3.11Å; K403-T406 PolarHBondContact O-N 2.81Å; T406-N408 PolarHBondContact O-N 3.2Å; T406-I409 WeakPolarHBondContact O-CB 3.46Å; T406-I409 PolarHBondContact O-N 3.17Å; T406-I409 VanDerWaalsContact O-N 3.13Å; T406-L410 HydrophobicContact CG2-CD1 4.07Å; T406-L410 HydrophobicContact CG2-CG 4.34Å; T406-L410 VanDerWaalsContact O-CG 3.28Å; T406-L410 WeakPolarHBondContact O-CG 3.01Å; T406-L410 PolarHBondContact O-N 3.42Å; T406-V457 HydrophobicContact CG2-CG1 4.44Å; T406-V457 HydrophobicContact CG2-CG2 4.21Å; T406-I464 HydrophobicContact CG2-CD1 3.78Å; T406-F471 HydrophobicContact CG2-CD2 4.5Å; T406-F471 HydrophobicContact CG2-CG 4.4Å |
| 407 | E | 96.9 | Very high | 95.4 | Very high | 73 Ų | 73 | 38.9 Ų | 38.9 | 34% | 0.341 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.5 | -46.7 | 176.4 | -172 | 169.5 | -164.8 | 0 | 0 | 112.1 | K403 A404 I409 L410 E411 I464 | K403-E407 PolarHBondContact O-N 2.82Å; A404-E407 PolarHBondContact O-N 3.46Å; E407-I409 VanDerWaalsContact C-N 3.31Å; E407-I409 PolarHBondContact O-N 3.05Å; E407-L410 PolarHBondContact O-N 3.2Å; E407-E411 WeakPolarHBondContact O-CG 2.95Å; E407-E411 PolarHBondContact O-N 3.04Å; E407-I464 HydrophobicContact CB-CD1 4.4Å; E407-I464 HydrophobicContact CB-CG2 4.09Å; E407-I464 HydrophobicContact CG-CG2 4.02Å |
| 408 | N | 97.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.2 | -37.3 | 175.5 | -72.7 | -25.2 | 0 | 0 | 0 | 113 | L359 K363 A404 S405 T406 S412 | L359-N408 HydrophobicContact CB-CB 4.09Å; K363-N408 HydrophobicContact CB-CB 4.29Å; K363-N408 WeakPolarHBondContact CD-OD1 3.49Å; K363-N408 WeakPolarHBondContact CE-OD1 3.37Å; K363-N408 PolarHBondContact NZ-OD1 3.43Å; A404-N408 PolarHBondContact O-N 3.34Å; A404-N408 PolarHBondContact O-ND2 2.92Å; S405-N408 PolarHBondContact O-N 3.21Å; T406-N408 PolarHBondContact O-N 3.2Å; N408-S412 WeakPolarHBondContact O-CB 3.33Å; N408-S412 PolarHBondContact O-N 3Å; N408-S412 PolarHBondContact O-OG 3.21Å |
| 409 | I | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -49.2 | 175.1 | -68.8 | 165.6 | 0 | 0 | 0 | 110.1 | L359 F387 I390 I401 S405 T406 E407 S412 A413 F450 I453 | L359-I409 HydrophobicContact CD1-CD1 3.91Å; L359-I409 HydrophobicContact CD1-CG1 3.97Å; L359-I409 HydrophobicContact CD2-CD1 4.1Å; L359-I409 HydrophobicContact CD2-CG1 3.51Å; L359-I409 HydrophobicContact CG-CG1 4.32Å; F387-I409 HydrophobicContact CD1-CG2 4.15Å; F387-I409 HydrophobicContact CE1-CG2 4.05Å; I390-I409 HydrophobicContact CG2-CD1 4.31Å; I401-I409 HydrophobicContact CG2-CD1 4.22Å; S405-I409 WeakPolarHBondContact O-CG1 3.41Å; S405-I409 PolarHBondContact O-N 3.33Å; S405-I409 VanDerWaalsContact O-N 3.08Å; T406-I409 WeakPolarHBondContact O-CB 3.46Å; T406-I409 PolarHBondContact O-N 3.17Å; T406-I409 VanDerWaalsContact O-N 3.13Å; E407-I409 VanDerWaalsContact C-N 3.31Å; E407-I409 PolarHBondContact O-N 3.05Å; I409-S412 PolarHBondContact O-N 2.93Å; I409-A413 VanDerWaalsContact O-CB 3.31Å; I409-A413 WeakPolarHBondContact O-CB 3.44Å; I409-A413 PolarHBondContact O-N 3.03Å; I409-F450 HydrophobicContact CG2-CE1 3.9Å; I409-F450 HydrophobicContact CG2-CZ 4.26Å; I409-I453 HydrophobicContact CD1-CG2 4.13Å; I409-I453 HydrophobicContact CG2-CD1 4.41Å |
| 410 | L | 97 | Very high | 96 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | -176.6 | -62.8 | 174.2 | 0 | 0 | 0 | 112.1 | T406 E407 A413 G414 F450 I464 T466 I469 F471 | T406-L410 HydrophobicContact CG2-CD1 4.07Å; T406-L410 HydrophobicContact CG2-CG 4.34Å; T406-L410 VanDerWaalsContact O-CG 3.28Å; T406-L410 WeakPolarHBondContact O-CG 3.01Å; T406-L410 PolarHBondContact O-N 3.42Å; E407-L410 PolarHBondContact O-N 3.2Å; L410-A413 PolarHBondContact O-N 3.42Å; L410-G414 PolarHBondContact O-N 3.28Å; L410-F450 HydrophobicContact CD2-CE1 4.09Å; L410-I464 HydrophobicContact CD1-CB 4.2Å; L410-I464 HydrophobicContact CD1-CG2 4.01Å; L410-T466 HydrophobicContact CB-CG2 3.72Å; L410-T466 HydrophobicContact CD1-CG2 4.43Å; L410-I469 HydrophobicContact CD2-CB 4.34Å; L410-I469 HydrophobicContact CD2-CG2 3.76Å; L410-F471 HydrophobicContact CD1-CB 3.48Å; L410-F471 VanDerWaalsContact CD1-CB 3.48Å; L410-F471 HydrophobicContact CD1-CG 4.36Å |
| 411 | E | 96.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 28.5 Ų | 28.5 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64 | -41.2 | 175.4 | -73.1 | -172.3 | 169.7 | 0 | 0 | 112.1 | K363 E407 T466 | K363-E411 HydrophobicContact CD-CB 4.46Å; K363-E411 WeakPolarHBondContact CD-OE2 3.35Å; K363-E411 HydrophobicContact CG-CB 4.32Å; E407-E411 WeakPolarHBondContact O-CG 2.95Å; E407-E411 PolarHBondContact O-N 3.04Å; E411-T466 HydrophobicContact CG-CG2 4.03Å |
| 412 | S | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 177 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | K363 N408 I409 | K363-S412 WeakPolarHBondContact CA-OG 3.37Å; K363-S412 PolarHBondContact N-OG 3.27Å; N408-S412 WeakPolarHBondContact O-CB 3.33Å; N408-S412 PolarHBondContact O-N 3Å; N408-S412 PolarHBondContact O-OG 3.21Å; I409-S412 PolarHBondContact O-N 2.93Å |
| 413 | A | 97 | Very high | 96 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.2 | -33.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F387 I409 L410 I415 L416 F446 F450 I469 | F387-A413 HydrophobicContact CE1-CB 4.38Å; F387-A413 HydrophobicContact CE2-CB 4.19Å; F387-A413 HydrophobicContact CZ-CB 3.86Å; I409-A413 VanDerWaalsContact O-CB 3.31Å; I409-A413 WeakPolarHBondContact O-CB 3.44Å; I409-A413 PolarHBondContact O-N 3.03Å; L410-A413 PolarHBondContact O-N 3.42Å; A413-I415 PolarHBondContact O-N 3.11Å; A413-L416 WeakPolarHBondContact O-CB 3.38Å; A413-L416 PolarHBondContact O-N 3.02Å; A413-F446 HydrophobicContact CB-CE2 4.08Å; A413-F446 HydrophobicContact CB-CZ 3.92Å; A413-F450 HydrophobicContact CB-CE1 4.34Å; A413-F450 HydrophobicContact CB-CE2 4.06Å; A413-F450 HydrophobicContact CB-CZ 3.38Å; A413-I469 HydrophobicContact CB-CD1 3.88Å |
| 414 | G | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.9 | -31.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L410 L416 T417 T418 Y468 | L410-G414 PolarHBondContact O-N 3.28Å; G414-L416 VanDerWaalsContact C-N 3.25Å; G414-L416 PolarHBondContact O-N 3.03Å; G414-T417 PolarHBondContact O-N 3.39Å; G414-T417 PolarHBondContact O-OG1 3.45Å; G414-T418 WeakPolarHBondContact O-CG2 3.32Å; G414-Y468 WeakPolarHBondContact O-CD2 3.37Å |
| 415 | I | 96.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -35.6 | 175.2 | -69 | 169 | 0 | 0 | 0 | 111.1 | T366 I367 T374 A413 T417 T418 | T366-I415 HydrophobicContact CG2-CB 4.01Å; T366-I415 HydrophobicContact CG2-CD1 3.6Å; T366-I415 HydrophobicContact CG2-CG1 4.36Å; T366-I415 HydrophobicContact CG2-CG2 4.14Å; I367-I415 HydrophobicContact CB-CD1 4.45Å; I367-I415 HydrophobicContact CG1-CD1 3.81Å; T374-I415 HydrophobicContact CG2-CG2 4.07Å; A413-I415 PolarHBondContact O-N 3.11Å; I415-T417 VanDerWaalsContact C-N 3.26Å; I415-T417 PolarHBondContact O-N 2.63Å; I415-T418 WeakPolarHBondContact O-CG2 3.48Å; I415-T418 PolarHBondContact O-N 3.33Å; I415-T418 PolarHBondContact O-OG1 3.45Å |
| 416 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73 | -16 | 179.1 | -55.7 | -174.5 | 0 | 0 | 0 | 113.2 | I373 I380 M383 F387 A413 G414 A421 W425 F446 | I373-L416 HydrophobicContact CG2-CD2 3.69Å; I380-L416 HydrophobicContact CG1-CD2 4.1Å; M383-L416 HydrophobicContact CB-CD1 3.9Å; M383-L416 HydrophobicContact CE-CD1 4.15Å; M383-L416 HydrophobicContact CE-CD2 4.29Å; M383-L416 HydrophobicContact CE-CG 4.33Å; M383-L416 HydrophobicContact SD-CD1 4.32Å; M383-L416 HydrophobicContact SD-CD2 3.84Å; M383-L416 HydrophobicContact SD-CG 4.46Å; F387-L416 HydrophobicContact CE2-CD1 3.9Å; A413-L416 WeakPolarHBondContact O-CB 3.38Å; A413-L416 PolarHBondContact O-N 3.02Å; G414-L416 VanDerWaalsContact C-N 3.25Å; G414-L416 PolarHBondContact O-N 3.03Å; L416-A421 WeakPolarHBondContact O-CB 3.29Å; L416-W425 HydrophobicContact CB-CZ2 4.37Å; L416-W425 PolarHBondContact O-NE1 3.49Å; L416-F446 HydrophobicContact CB-CZ 4.37Å; L416-F446 HydrophobicContact CD1-CD2 4.48Å; L416-F446 HydrophobicContact CD1-CE2 3.94Å |
| 417 | T | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.5 | 178.4 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | G414 I415 F446 F507 S509 M510 N512 V513 | G414-T417 PolarHBondContact O-N 3.39Å; G414-T417 PolarHBondContact O-OG1 3.45Å; I415-T417 VanDerWaalsContact C-N 3.26Å; I415-T417 PolarHBondContact O-N 2.63Å; T417-F446 HydrophobicContact CG2-CE1 4.01Å; T417-F446 HydrophobicContact CG2-CZ 4.27Å; T417-F507 HydrophobicContact CG2-CD1 4.4Å; T417-S509 WeakPolarHBondContact O-CB 3.41Å; T417-S509 VanDerWaalsContact O-O 3.08Å; T417-M510 HydrophobicContact CG2-SD 3.98Å; T417-N512 PolarHBondContact O-ND2 2.8Å; T417-N512 VanDerWaalsContact O-ND2 3.08Å; T417-V513 HydrophobicContact CG2-CG2 4.05Å |
| 418 | T | 95.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 33 Ų | 33 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -69.2 | 158.6 | -178.6 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | G414 I415 A420 A421 Y468 | G414-T418 WeakPolarHBondContact O-CG2 3.32Å; I415-T418 WeakPolarHBondContact O-CG2 3.48Å; I415-T418 PolarHBondContact O-N 3.33Å; I415-T418 PolarHBondContact O-OG1 3.45Å; T418-A420 PolarHBondContact O-N 2.97Å; T418-A420 VanDerWaalsContact O-N 3.15Å; T418-A421 WeakPolarHBondContact O-CB 3.28Å; T418-A421 PolarHBondContact O-N 3.44Å; T418-Y468 HydrophobicContact CG2-CD1 4.17Å; T418-Y468 HydrophobicContact CG2-CD2 4.23Å; T418-Y468 HydrophobicContact CG2-CE1 3.7Å; T418-Y468 HydrophobicContact CG2-CE2 3.75Å; T418-Y468 HydrophobicContact CG2-CG 4.41Å; T418-Y468 VanDerWaalsContact CG2-CZ 3.45Å |
| 419 | D | 93.9 | Very high | 94.1 | Very high | 117 Ų | 117 | 33.3 Ų | 33.3 | 63% | 0.626 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -58 | -29.1 | 177.1 | -63.3 | -27.9 | 0 | 0 | 0 | 112.8 | A421 K422 N512 | D419-A421 PolarHBondContact O-N 3.29Å; D419-K422 VanDerWaalsContact O-CB 3.23Å; D419-K422 WeakPolarHBondContact O-CB 3.22Å; D419-K422 PolarHBondContact O-N 3.29Å; D419-N512 PolarHBondContact N-ND2 3.08Å; D419-N512 PolarHBondContact OD1-ND2 3.28Å |
| 420 | A | 94.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -64.3 | -27.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T374 T418 | T374-A420 HydrophobicContact CG2-CB 4.22Å; T418-A420 PolarHBondContact O-N 2.97Å; T418-A420 VanDerWaalsContact O-N 3.15Å |
| 421 | A | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -85.6 | -9.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T374 I380 L416 T418 D419 D423 S424 W425 | T374-A421 HydrophobicContact CG2-CB 3.96Å; I380-A421 HydrophobicContact CD1-CB 4.06Å; L416-A421 WeakPolarHBondContact O-CB 3.29Å; T418-A421 WeakPolarHBondContact O-CB 3.28Å; T418-A421 PolarHBondContact O-N 3.44Å; D419-A421 PolarHBondContact O-N 3.29Å; A421-D423 PolarHBondContact O-N 3.43Å; A421-S424 PolarHBondContact O-N 3.3Å; A421-W425 PolarHBondContact O-N 3Å |
| 422 | K | 94.2 | Very high | 89.3 | Confident | 73 Ų | 73 | 45.8 Ų | 45.8 | 32% | 0.317 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.1 | -44.5 | -170.3 | -169.9 | -176.9 | -161.8 | 117.6 | 0 | 112.8 | D419 S424 W425 N426 D511 N512 | D419-K422 VanDerWaalsContact O-CB 3.23Å; D419-K422 WeakPolarHBondContact O-CB 3.22Å; D419-K422 PolarHBondContact O-N 3.29Å; K422-S424 PolarHBondContact O-N 3.47Å; K422-W425 PolarHBondContact O-N 2.95Å; K422-N426 WeakPolarHBondContact O-CB 3.22Å; K422-N426 PolarHBondContact O-N 2.82Å; K422-N426 PolarHBondContact O-ND2 2.95Å; K422-D511 IonicContact NZ-OD2 3.53Å; K422-N512 HydrophobicContact CB-CB 4.19Å; K422-N512 VanDerWaalsContact CD-OD1 3.28Å; K422-N512 WeakPolarHBondContact CD-OD1 3.47Å; K422-N512 WeakPolarHBondContact CE-OD1 3.45Å; K422-N512 HydrophobicContact CG-CB 4.21Å; K422-N512 WeakPolarHBondContact CG-OD1 3.29Å; K422-N512 PolarHBondContact NZ-OD1 3.02Å |
| 423 | D | 92.8 | Very high | 87.1 | Confident | 128 Ų | 128 | 50 Ų | 50 | 68% | 0.684 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | -179 | -69.9 | -23.4 | 0 | 0 | 0 | 111.5 | A421 W425 N426 E427 | A421-D423 PolarHBondContact O-N 3.43Å; D423-W425 PolarHBondContact O-N 3.46Å; D423-N426 WeakPolarHBondContact O-CB 3.22Å; D423-N426 PolarHBondContact O-N 2.88Å; D423-E427 PolarHBondContact O-N 2.85Å |
| 424 | S | 93.1 | Very high | 84.5 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 175.5 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | T374 S376 A421 K422 E427 L428 | T374-S424 WeakPolarHBondContact O-CB 3.44Å; T374-S424 PolarHBondContact O-OG 3.17Å; S376-S424 PolarHBondContact N-OG 2.01Å; A421-S424 PolarHBondContact O-N 3.3Å; K422-S424 PolarHBondContact O-N 3.47Å; S424-E427 PolarHBondContact O-N 2.8Å; S424-L428 WeakPolarHBondContact O-CG 3.16Å; S424-L428 PolarHBondContact O-N 2.94Å; S424-L428 VanDerWaalsContact O-N 3.08Å |
| 425 | W | 93.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 173.1 | -77 | 118.9 | 0 | 0 | 0 | 112.9 | I380 V384 L416 A421 K422 D423 E427 L428 N429 F446 N512 V513 | I380-W425 HydrophobicContact CG2-CD2 4.11Å; I380-W425 HydrophobicContact CG2-CE3 4.26Å; I380-W425 HydrophobicContact CG2-CH2 3.51Å; I380-W425 HydrophobicContact CG2-CZ2 3.3Å; I380-W425 HydrophobicContact CG2-CZ3 3.97Å; V384-W425 HydrophobicContact CG2-CH2 3.61Å; V384-W425 HydrophobicContact CG2-CZ2 4.44Å; V384-W425 HydrophobicContact CG2-CZ3 4.41Å; L416-W425 HydrophobicContact CB-CZ2 4.37Å; L416-W425 PolarHBondContact O-NE1 3.49Å; A421-W425 PolarHBondContact O-N 3Å; K422-W425 PolarHBondContact O-N 2.95Å; D423-W425 PolarHBondContact O-N 3.46Å; W425-E427 VanDerWaalsContact C-N 3.27Å; W425-E427 PolarHBondContact O-N 3.43Å; W425-L428 HydrophobicContact CD2-CD1 4.43Å; W425-L428 HydrophobicContact CE3-CB 4.4Å; W425-L428 HydrophobicContact CE3-CD1 3.71Å; W425-L428 HydrophobicContact CZ3-CD1 3.89Å; W425-L428 PolarHBondContact O-N 3.14Å; W425-N429 VanDerWaalsContact O-CB 3.27Å; W425-N429 WeakPolarHBondContact O-CB 3.47Å; W425-N429 VanDerWaalsContact O-CG 3.24Å; W425-N429 PolarHBondContact O-N 3.03Å; W425-N429 PolarHBondContact O-ND2 2.87Å; W425-F446 HydrophobicContact CH2-CB 4.04Å; W425-F446 HydrophobicContact CH2-CG 4.26Å; W425-F446 HydrophobicContact CZ2-CG 4.46Å; W425-N512 WeakPolarHBondContact CB-O 3.43Å; W425-V513 HydrophobicContact CD2-CB 4.36Å; W425-V513 HydrophobicContact CD2-CG1 3.85Å; W425-V513 HydrophobicContact CD2-CG2 4.47Å; W425-V513 HydrophobicContact CE3-CG1 4.04Å; W425-V513 HydrophobicContact CG-CB 4.49Å; W425-V513 HydrophobicContact CG-CG1 4.47Å; W425-V513 HydrophobicContact CG-CG2 4.49Å; W425-V513 HydrophobicContact CH2-CG1 3.86Å; W425-V513 HydrophobicContact CZ2-CG1 3.67Å; W425-V513 HydrophobicContact CZ2-CG2 4.33Å; W425-V513 HydrophobicContact CZ3-CG1 4.06Å |
| 426 | N | 90 | Very high | 79.3 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 174.3 | -72.3 | -28.2 | 0 | 0 | 0 | 111 | K422 D423 N429 N430 | K422-N426 WeakPolarHBondContact O-CB 3.22Å; K422-N426 PolarHBondContact O-N 2.82Å; K422-N426 PolarHBondContact O-ND2 2.95Å; D423-N426 WeakPolarHBondContact O-CB 3.22Å; D423-N426 PolarHBondContact O-N 2.88Å; N426-N429 PolarHBondContact O-N 3.3Å; N426-N430 VanDerWaalsContact O-CB 3.25Å; N426-N430 WeakPolarHBondContact O-CB 3.23Å; N426-N430 PolarHBondContact O-N 2.82Å; N426-N430 PolarHBondContact O-ND2 3.27Å |
| 427 | E | 87.9 | Confident | 76.9 | Confident | 99 Ų | 99 | 72 Ų | 72 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.8 | -49.3 | 174 | -170.8 | 174.2 | 160.9 | 0 | 0 | 111.6 | P377 D423 S424 W425 N429 N430 D431 | P377-E427 HydrophobicContact CG-CB 4.17Å; P377-E427 HydrophobicContact CG-CG 4.29Å; P377-E427 WeakPolarHBondContact CG-OE2 3.35Å; D423-E427 PolarHBondContact O-N 2.85Å; S424-E427 PolarHBondContact O-N 2.8Å; W425-E427 VanDerWaalsContact C-N 3.27Å; W425-E427 PolarHBondContact O-N 3.43Å; E427-N429 VanDerWaalsContact C-N 3.27Å; E427-N429 PolarHBondContact O-N 3.11Å; E427-N430 PolarHBondContact O-N 2.82Å; E427-D431 PolarHBondContact O-N 3.05Å |
| 428 | L | 87.7 | Confident | 74.8 | Confident | 17 Ų | 17 | 79.8 Ų | 79.8 | 9% | 0.089 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.6 | -34.3 | 177.3 | -69.9 | 172.2 | 0 | 0 | 0 | 113.2 | P377 I380 S424 W425 | P377-L428 HydrophobicContact CB-CD1 4.49Å; P377-L428 HydrophobicContact CB-CD2 3.96Å; P377-L428 HydrophobicContact CB-CG 3.95Å; I380-L428 HydrophobicContact CB-CD1 4.26Å; I380-L428 HydrophobicContact CG2-CD1 3.97Å; S424-L428 WeakPolarHBondContact O-CG 3.16Å; S424-L428 PolarHBondContact O-N 2.94Å; S424-L428 VanDerWaalsContact O-N 3.08Å; W425-L428 HydrophobicContact CD2-CD1 4.43Å; W425-L428 HydrophobicContact CE3-CB 4.4Å; W425-L428 HydrophobicContact CE3-CD1 3.71Å; W425-L428 HydrophobicContact CZ3-CD1 3.89Å; W425-L428 PolarHBondContact O-N 3.14Å |
| 429 | N | 86.3 | Confident | 72.9 | Confident | 24 Ų | 24 | 81 Ų | 81 | 13% | 0.128 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -81.8 | -27.1 | -178 | -76.1 | -40.5 | 0 | 0 | 0 | 113.5 | W425 N426 E427 S443 V513 P515 | W425-N429 VanDerWaalsContact O-CB 3.27Å; W425-N429 WeakPolarHBondContact O-CB 3.47Å; W425-N429 VanDerWaalsContact O-CG 3.24Å; W425-N429 PolarHBondContact O-N 3.03Å; W425-N429 PolarHBondContact O-ND2 2.87Å; N426-N429 PolarHBondContact O-N 3.3Å; E427-N429 VanDerWaalsContact C-N 3.27Å; E427-N429 PolarHBondContact O-N 3.11Å; N429-S443 VanDerWaalsContact OD1-CB 3.23Å; N429-S443 WeakPolarHBondContact OD1-CB 3.3Å; N429-S443 PolarHBondContact OD1-OG 3.34Å; N429-V513 PolarHBondContact ND2-O 2.87Å; N429-P515 HydrophobicContact CB-CB 4.37Å; N429-P515 HydrophobicContact CB-CG 4.16Å |
| 430 | N | 78.2 | Confident | 71.3 | Confident | 120 Ų | 120 | 78.7 Ų | 78.7 | 64% | 0.642 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -89.5 | -1.7 | -178.4 | -74.3 | -34.6 | 0 | 0 | 0 | 113.4 | N426 E427 N432 | N426-N430 VanDerWaalsContact O-CB 3.25Å; N426-N430 WeakPolarHBondContact O-CB 3.23Å; N426-N430 PolarHBondContact O-N 2.82Å; N426-N430 PolarHBondContact O-ND2 3.27Å; E427-N430 PolarHBondContact O-N 2.82Å; N430-N432 PolarHBondContact O-N 3.37Å |
| 431 | D | 62.1 | Low | 70.6 | Confident | 53 Ų | 53 | 78.5 Ų | 78.5 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | trans | -74.5 | 74.6 | -171.8 | -147.6 | 16.2 | 0 | 0 | 0 | 112.2 | E427 R433 | E427-D431 PolarHBondContact O-N 3.05Å; D431-R433 PolarHBondContact O-N 2.97Å; D431-R433 WeakPolarHBondContact OD1-CD 3.34Å; D431-R433 WeakPolarHBondContact OD1-CG 3.4Å; D431-R433 IonicContact OD1-CZ 2.77Å; D431-R433 IonicContact OD1-NE 3Å; D431-R433 PolarHBondContact OD1-NE 2.83Å; D431-R433 IonicContact OD1-NH2 2.66Å; D431-R433 IonicContact OD2-NE 3.93Å | ||
| 432 | N | 50.9 | Low | 70.2 | Confident | 157 Ų | 157 | 78.8 Ų | 78.8 | 84% | 0.84 | 41% | 0.406 | S | S | * | . | trans | -68.5 | 23.4 | 172 | -82.5 | -24.7 | 0 | 0 | 0 | 113 | N430 | N430-N432 PolarHBondContact O-N 3.37Š| ||
| 433 | R | 50.1 | Low | 70.1 | Confident | 88 Ų | 88 | 75.3 Ų | 75.3 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | trans | -76 | 150.5 | -177.7 | -69.1 | -176.1 | -140.4 | -150.9 | 12.3 | 110.2 | D431 K440 | D431-R433 PolarHBondContact O-N 2.97Å; D431-R433 WeakPolarHBondContact OD1-CD 3.34Å; D431-R433 WeakPolarHBondContact OD1-CG 3.4Å; D431-R433 IonicContact OD1-CZ 2.77Å; D431-R433 IonicContact OD1-NE 3Å; D431-R433 PolarHBondContact OD1-NE 2.83Å; D431-R433 IonicContact OD1-NH2 2.66Å; D431-R433 IonicContact OD2-NE 3.93Å; R433-K440 WeakPolarHBondContact O-CE 3.34Å; R433-K440 PolarHBondContact O-NZ 3.09Å | ||
| 434 | N | 42.7 | Very low | 70 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 74% | 0.743 | 36% | 0.359 | S | S | * | . | trans | -39.8 | 158 | -170.5 | -63.3 | -34.2 | 0 | 0 | 0 | 116.2 | S436 S437 K440 | N434-S436 PolarHBondContact O-N 2.81Å; N434-S437 PolarHBondContact O-N 2.78Å; N434-K440 WeakPolarHBondContact O-CE 3.27Å; N434-K440 PolarHBondContact O-NZ 3.07Å | ||
| 435 | E | 42 | Very low | 70 | Confident | 197 Ų | 197 | 70.7 Ų | 70.7 | 92% | 0.921 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.4 | -5.5 | -173.4 | -68.7 | 175.7 | 161 | 0 | 0 | 119.3 | ||
| 436 | S | 41 | Very low | 70.1 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 78% | 0.776 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -0.3 | -171.9 | 57.9 | 0 | 0 | 0 | 0 | 116.7 | N434 E438 | N434-S436 PolarHBondContact O-N 2.81Å; S436-E438 PolarHBondContact O-N 2.89Å |
| 437 | S | 47 | Very low | 70.2 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | trans | -76.9 | 114 | -179 | 135.3 | 0 | 0 | 0 | 0 | 111.7 | N434 N439 K440 | N434-S437 PolarHBondContact O-N 2.78Å; S437-N439 PolarHBondContact O-N 3.46Å; S437-N439 PolarHBondContact OG-N 2.77Å; S437-K440 WeakPolarHBondContact OG-CG 3.21Å | ||
| 438 | E | 52.1 | Low | 70.4 | Confident | 164 Ų | 164 | 65.3 Ų | 65.3 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -7.8 | 172.4 | -71.8 | -174 | 168.6 | 0 | 0 | 114.3 | K385 S436 | K385-E438 IonicContact NZ-OE2 2.67Å; S436-E438 PolarHBondContact O-N 2.89Å |
| 439 | N | 55.1 | Low | 70.7 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 0.9 | -168.3 | -61.3 | -22.3 | 0 | 0 | 0 | 114.5 | S381 K385 S437 N441 S442 | S381-N439 PolarHBondContact OG-OD1 3.1Å; K385-N439 PolarHBondContact NZ-OD1 3.01Å; K385-N439 VanDerWaalsContact NZ-OD1 3.08Å; S437-N439 PolarHBondContact O-N 3.46Å; S437-N439 PolarHBondContact OG-N 2.77Å; N439-N441 PolarHBondContact O-N 3.12Å; N439-S442 PolarHBondContact O-N 2.87Å; N439-S442 VanDerWaalsContact O-N 3.14Å; N439-S442 PolarHBondContact O-OG 3.2Å |
| 440 | K | 59.9 | Low | 71 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 30% | 0.296 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.6 | -171.1 | -78.6 | -175.2 | 173.8 | -174 | 0 | 114.2 | R433 N434 S437 L570 | R433-K440 WeakPolarHBondContact O-CE 3.34Å; R433-K440 PolarHBondContact O-NZ 3.09Å; N434-K440 WeakPolarHBondContact O-CE 3.27Å; N434-K440 PolarHBondContact O-NZ 3.07Å; S437-K440 WeakPolarHBondContact OG-CG 3.21Å; K440-L570 HydrophobicContact CB-CD1 4.03Å; K440-L570 WeakPolarHBondContact O-CD1 3.28Å |
| 441 | N | 79.6 | Confident | 71.5 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 28.3 | -175 | 67.9 | 1.2 | 0 | 0 | 0 | 113.2 | N439 S443 S444 S445 D569 | N439-N441 PolarHBondContact O-N 3.12Å; N441-S443 VanDerWaalsContact C-N 3.31Å; N441-S443 PolarHBondContact O-N 2.96Å; N441-S444 WeakPolarHBondContact O-CB 3.46Å; N441-S444 PolarHBondContact O-N 3.33Å; N441-S444 VanDerWaalsContact O-N 3.1Å; N441-S445 WeakPolarHBondContact O-CB 3.5Å; N441-S445 PolarHBondContact O-N 2.91Å; N441-S445 PolarHBondContact O-OG 2.98Å; N441-S445 PolarHBondContact OD1-OG 3.29Å; N441-D569 PolarHBondContact ND2-O 2.58Å |
| 442 | S | 89.3 | Confident | 72.8 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54.7 | -41.3 | -174 | -65.9 | 0 | 0 | 0 | 0 | 113.6 | S381 N439 S445 F446 | S381-S442 PolarHBondContact OG-OG 3.06Å; N439-S442 PolarHBondContact O-N 2.87Å; N439-S442 VanDerWaalsContact O-N 3.14Å; N439-S442 PolarHBondContact O-OG 3.2Å; S442-S445 PolarHBondContact O-N 3.23Å; S442-F446 PolarHBondContact O-N 2.82Å |
| 443 | S | 91.6 | Very high | 74.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.5 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | N429 N441 F446 L447 V513 R517 | N429-S443 VanDerWaalsContact OD1-CB 3.23Å; N429-S443 WeakPolarHBondContact OD1-CB 3.3Å; N429-S443 PolarHBondContact OD1-OG 3.34Å; N441-S443 VanDerWaalsContact C-N 3.31Å; N441-S443 PolarHBondContact O-N 2.96Å; S443-F446 WeakPolarHBondContact O-CB 3.43Å; S443-F446 PolarHBondContact O-N 2.98Å; S443-L447 PolarHBondContact O-N 3.18Å; S443-V513 VanDerWaalsContact CB-O 3.22Å; S443-V513 WeakPolarHBondContact CB-O 3.28Å; S443-R517 PolarHBondContact OG-NH2 2.98Å |
| 444 | S | 90.9 | Very high | 76.9 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 174.2 | -158.2 | 0 | 0 | 0 | 0 | 111 | N441 F446 L447 S448 W562 F564 L570 | N441-S444 WeakPolarHBondContact O-CB 3.46Å; N441-S444 PolarHBondContact O-N 3.33Å; N441-S444 VanDerWaalsContact O-N 3.1Å; S444-F446 VanDerWaalsContact C-N 3.27Å; S444-F446 PolarHBondContact O-N 2.98Å; S444-L447 PolarHBondContact O-N 3.32Å; S444-S448 WeakPolarHBondContact O-CB 3.48Å; S444-S448 PolarHBondContact O-N 2.91Å; S444-W562 PolarHBondContact OG-NE1 2.67Å; S444-F564 WeakPolarHBondContact O-CE1 3.44Å; S444-F564 VanDerWaalsContact OG-CD1 3.27Å; S444-F564 WeakPolarHBondContact OG-CD1 3.26Å; S444-L570 VanDerWaalsContact CB-O 3.28Å; S444-L570 WeakPolarHBondContact CB-O 3.38Å; S444-L570 PolarHBondContact OG-O 3.21Å |
| 445 | S | 91.9 | Very high | 79.1 | Confident | 35 Ų | 35 | 44.6 Ų | 44.6 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -35.2 | 176.2 | -70.6 | 0 | 0 | 0 | 0 | 112.7 | N441 S442 S448 A449 | N441-S445 WeakPolarHBondContact O-CB 3.5Å; N441-S445 PolarHBondContact O-N 2.91Å; N441-S445 PolarHBondContact O-OG 2.98Å; N441-S445 PolarHBondContact OD1-OG 3.29Å; S442-S445 PolarHBondContact O-N 3.23Å; S445-S448 PolarHBondContact O-N 2.91Å; S445-A449 WeakPolarHBondContact O-CB 3.41Å; S445-A449 PolarHBondContact O-N 3.49Å |
| 446 | F | 94.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 175.6 | -179.3 | -112.7 | 0 | 0 | 0 | 111.4 | V384 F387 A413 L416 T417 W425 S442 S443 S444 A449 F450 M510 V513 | V384-F446 HydrophobicContact CG1-CB 4.09Å; V384-F446 HydrophobicContact CG2-CB 3.88Å; V384-F446 HydrophobicContact CG2-CD2 4.02Å; V384-F446 HydrophobicContact CG2-CG 4.32Å; F387-F446 HydrophobicContact CD2-CD2 4.14Å; F387-F446 AromaticContact CD2-CE2 3.94Å; F387-F446 HydrophobicContact CD2-CE2 3.94Å; F387-F446 AromaticContact CE2-CE2 3.96Å; F387-F446 HydrophobicContact CE2-CE2 3.96Å; A413-F446 HydrophobicContact CB-CE2 4.08Å; A413-F446 HydrophobicContact CB-CZ 3.92Å; L416-F446 HydrophobicContact CB-CZ 4.37Å; L416-F446 HydrophobicContact CD1-CD2 4.48Å; L416-F446 HydrophobicContact CD1-CE2 3.94Å; T417-F446 HydrophobicContact CG2-CE1 4.01Å; T417-F446 HydrophobicContact CG2-CZ 4.27Å; W425-F446 HydrophobicContact CH2-CB 4.04Å; W425-F446 HydrophobicContact CH2-CG 4.26Å; W425-F446 HydrophobicContact CZ2-CG 4.46Å; S442-F446 PolarHBondContact O-N 2.82Å; S443-F446 WeakPolarHBondContact O-CB 3.43Å; S443-F446 PolarHBondContact O-N 2.98Å; S444-F446 VanDerWaalsContact C-N 3.27Å; S444-F446 PolarHBondContact O-N 2.98Å; F446-A449 WeakPolarHBondContact O-CB 3.38Å; F446-A449 PolarHBondContact O-N 3.36Å; F446-F450 HydrophobicContact CD2-CE2 4.19Å; F446-F450 HydrophobicContact CE1-CE2 4.23Å; F446-F450 AromaticContact CE2-CE2 3.7Å; F446-F450 HydrophobicContact CE2-CE2 3.7Å; F446-F450 HydrophobicContact CE2-CZ 4.45Å; F446-F450 AromaticContact CZ-CE2 3.74Å; F446-F450 HydrophobicContact CZ-CE2 3.74Å; F446-F450 HydrophobicContact CZ-CZ 4.46Å; F446-F450 VanDerWaalsContact O-CD2 3.26Å; F446-F450 WeakPolarHBondContact O-CD2 3.31Å; F446-M510 HydrophobicContact CD1-CE 3.45Å; F446-M510 VanDerWaalsContact CD1-CE 3.45Å; F446-M510 HydrophobicContact CD1-SD 4.37Å; F446-M510 HydrophobicContact CE1-CE 3.66Å; F446-M510 HydrophobicContact CE1-SD 4.04Å; F446-V513 HydrophobicContact CD1-CG1 3.92Å |
| 447 | L | 92.9 | Very high | 84 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.1 | -173.7 | 63.2 | 0 | 0 | 0 | 111.7 | S443 S444 A449 F450 E451 F507 M510 L514 W562 F564 | S443-L447 PolarHBondContact O-N 3.18Å; S444-L447 PolarHBondContact O-N 3.32Å; L447-A449 VanDerWaalsContact C-N 3.27Å; L447-A449 PolarHBondContact O-N 3.3Å; L447-F450 WeakPolarHBondContact O-CB 3.42Å; L447-F450 PolarHBondContact O-N 2.89Å; L447-E451 PolarHBondContact O-N 3.18Å; L447-F507 HydrophobicContact CD1-CE2 4.17Å; L447-M510 HydrophobicContact CB-CE 4.35Å; L447-M510 HydrophobicContact CD1-CE 4.19Å; L447-L514 HydrophobicContact CD2-CD1 4.03Å; L447-W562 HydrophobicContact CD2-CB 3.82Å; L447-W562 HydrophobicContact CD2-CD2 4.41Å; L447-W562 HydrophobicContact CD2-CG 3.71Å; L447-F564 HydrophobicContact CB-CE1 4.34Å; L447-F564 HydrophobicContact CB-CZ 4.45Å; L447-F564 HydrophobicContact CD2-CE1 4.48Å; L447-F564 HydrophobicContact CD2-CZ 4.15Å; L447-F564 HydrophobicContact CG-CZ 4.15Å |
| 448 | S | 91.6 | Very high | 86 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 37% | 0.371 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.5 | -34.7 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | S444 S445 F450 E451 G452 | S444-S448 WeakPolarHBondContact O-CB 3.48Å; S444-S448 PolarHBondContact O-N 2.91Å; S445-S448 PolarHBondContact O-N 2.91Å; S448-F450 PolarHBondContact O-N 3.39Å; S448-E451 WeakPolarHBondContact O-CB 3.28Å; S448-E451 PolarHBondContact O-N 3.02Å; S448-E451 VanDerWaalsContact O-N 3.15Å; S448-G452 PolarHBondContact O-N 2.77Å |
| 449 | A | 94 | Very high | 87.5 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -36.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F387 A388 S445 F446 L447 G452 I453 | F387-A449 HydrophobicContact CB-CB 3.76Å; A388-A449 HydrophobicContact CB-CB 4.46Å; S445-A449 WeakPolarHBondContact O-CB 3.41Å; S445-A449 PolarHBondContact O-N 3.49Å; F446-A449 WeakPolarHBondContact O-CB 3.38Å; F446-A449 PolarHBondContact O-N 3.36Å; L447-A449 VanDerWaalsContact C-N 3.27Å; L447-A449 PolarHBondContact O-N 3.3Å; A449-G452 PolarHBondContact O-N 3.27Å; A449-I453 WeakPolarHBondContact O-CB 3.25Å; A449-I453 WeakPolarHBondContact O-CD1 3.48Å; A449-I453 WeakPolarHBondContact O-CG1 3.35Å; A449-I453 PolarHBondContact O-N 3.26Å |
| 450 | F | 93.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.6 | -36 | 175.6 | -75.7 | -81.2 | 0 | 0 | 0 | 112.9 | I409 L410 A413 F446 L447 S448 G452 I453 T454 I505 F507 L533 | I409-F450 HydrophobicContact CG2-CE1 3.9Å; I409-F450 HydrophobicContact CG2-CZ 4.26Å; L410-F450 HydrophobicContact CD2-CE1 4.09Å; A413-F450 HydrophobicContact CB-CE1 4.34Å; A413-F450 HydrophobicContact CB-CE2 4.06Å; A413-F450 HydrophobicContact CB-CZ 3.38Å; F446-F450 HydrophobicContact CD2-CE2 4.19Å; F446-F450 HydrophobicContact CE1-CE2 4.23Å; F446-F450 AromaticContact CE2-CE2 3.7Å; F446-F450 HydrophobicContact CE2-CE2 3.7Å; F446-F450 HydrophobicContact CE2-CZ 4.45Å; F446-F450 AromaticContact CZ-CE2 3.74Å; F446-F450 HydrophobicContact CZ-CE2 3.74Å; F446-F450 HydrophobicContact CZ-CZ 4.46Å; F446-F450 VanDerWaalsContact O-CD2 3.26Å; F446-F450 WeakPolarHBondContact O-CD2 3.31Å; L447-F450 WeakPolarHBondContact O-CB 3.42Å; L447-F450 PolarHBondContact O-N 2.89Å; S448-F450 PolarHBondContact O-N 3.39Å; F450-G452 PolarHBondContact O-N 3.22Å; F450-I453 PolarHBondContact O-N 2.96Å; F450-T454 VanDerWaalsContact O-CB 3.24Å; F450-T454 WeakPolarHBondContact O-CB 3.48Å; F450-T454 PolarHBondContact O-N 3.47Å; F450-T454 PolarHBondContact O-OG1 3.49Å; F450-I505 HydrophobicContact CB-CD1 4.38Å; F450-I505 HydrophobicContact CD1-CD1 4.05Å; F450-F507 HydrophobicContact CB-CZ 4.45Å; F450-F507 HydrophobicContact CD1-CZ 4.48Å; F450-F507 HydrophobicContact CD2-CE1 4.32Å; F450-F507 HydrophobicContact CD2-CZ 4.04Å; F450-F507 HydrophobicContact CE2-CE1 4.4Å; F450-F507 HydrophobicContact CG-CZ 4.04Å; F450-L533 HydrophobicContact CB-CD2 3.96Å |
| 451 | E | 89.3 | Confident | 90.2 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -33.1 | 171.1 | -67.7 | -171.1 | 168.5 | 0 | 0 | 112.2 | L447 S448 P455 L533 Q535 F564 S597 | L447-E451 PolarHBondContact O-N 3.18Å; S448-E451 WeakPolarHBondContact O-CB 3.28Å; S448-E451 PolarHBondContact O-N 3.02Å; S448-E451 VanDerWaalsContact O-N 3.15Å; E451-P455 WeakPolarHBondContact O-CD 3.19Å; E451-P455 WeakPolarHBondContact O-CG 3.4Å; E451-L533 HydrophobicContact CG-CD1 3.59Å; E451-L533 HydrophobicContact CG-CD2 3.95Å; E451-L533 HydrophobicContact CG-CG 4.45Å; E451-Q535 PolarHBondContact O-NE2 2.98Å; E451-Q535 VanDerWaalsContact O-NE2 3.1Å; E451-Q535 PolarHBondContact O-OE1 3.42Å; E451-F564 VanDerWaalsContact CD-CE2 3.5Å; E451-F564 WeakPolarHBondContact OE1-CE2 3.42Å; E451-F564 WeakPolarHBondContact OE2-CE2 3.42Å; E451-S597 PolarHBondContact OE1-OG 3.18Å |
| 452 | G | 89.8 | Confident | 90.8 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -78.9 | -30.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S448 A449 F450 H456 | S448-G452 PolarHBondContact O-N 2.77Å; A449-G452 PolarHBondContact O-N 3.27Å; F450-G452 PolarHBondContact O-N 3.22Å; G452-H456 PolarHBondContact O-CD2 2.85Å; G452-H456 VanDerWaalsContact O-CD2 3.3Å |
| 453 | I | 94 | Very high | 90.9 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -81.4 | -41.7 | -178.8 | -73.4 | 167.1 | 0 | 0 | 0 | 111.6 | F387 I390 I401 I409 A449 F450 P455 H456 | F387-I453 HydrophobicContact CB-CD1 4.41Å; I390-I453 HydrophobicContact CB-CD1 4.31Å; I390-I453 HydrophobicContact CG2-CD1 4.16Å; I390-I453 HydrophobicContact CG2-CG1 4.14Å; I401-I453 HydrophobicContact CD1-CG2 3.79Å; I409-I453 HydrophobicContact CD1-CG2 4.13Å; I409-I453 HydrophobicContact CG2-CD1 4.41Å; A449-I453 WeakPolarHBondContact O-CB 3.25Å; A449-I453 WeakPolarHBondContact O-CD1 3.48Å; A449-I453 WeakPolarHBondContact O-CG1 3.35Å; A449-I453 PolarHBondContact O-N 3.26Å; F450-I453 PolarHBondContact O-N 2.96Å; I453-P455 VanDerWaalsContact C-CD 3.46Å; I453-H456 WeakPolarHBondContact O-CB 3.17Å; I453-H456 PolarHBondContact O-N 3.29Å |
| 454 | T | 91.7 | Very high | 91 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -57.5 | -39.1 | -169.9 | -64.5 | 0 | 0 | 0 | 0 | 114.9 | F450 H456 V457 F471 A503 I505 Q535 | F450-T454 VanDerWaalsContact O-CB 3.24Å; F450-T454 WeakPolarHBondContact O-CB 3.48Å; F450-T454 PolarHBondContact O-N 3.47Å; F450-T454 PolarHBondContact O-OG1 3.49Å; T454-H456 PolarHBondContact O-N 3.04Å; T454-H456 VanDerWaalsContact O-N 3.13Å; T454-V457 PolarHBondContact O-N 3.42Å; T454-V457 VanDerWaalsContact O-N 3.17Å; T454-F471 HydrophobicContact CG2-CE2 4.1Å; T454-A503 HydrophobicContact CG2-CB 3.41Å; T454-A503 VanDerWaalsContact CG2-CB 3.41Å; T454-I505 VanDerWaalsContact OG1-CD1 3.3Å; T454-I505 WeakPolarHBondContact OG1-CD1 3.26Å; T454-Q535 HydrophobicContact CG2-CB 4.19Å |
| 455 | P | 89.9 | Confident | 91 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 47% | 0.468 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -61.3 | -22.9 | 176.1 | -26.2 | 37.1 | 0 | 0 | 0 | 114.1 | E451 I453 Q535 | E451-P455 WeakPolarHBondContact O-CD 3.19Å; E451-P455 WeakPolarHBondContact O-CG 3.4Å; I453-P455 VanDerWaalsContact C-CD 3.46Å; P455-Q535 VanDerWaalsContact CG-NE2 3.33Å |
| 456 | H | 92.6 | Very high | 91.1 | Very high | 32 Ų | 32 | 40 Ų | 40 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -93.5 | -6 | -177.3 | -64 | -59.5 | 0 | 0 | 0 | 113.6 | A394 N395 I399 T400 I401 G452 I453 T454 | A394-H456 HydrophobicContact CB-CB 3.88Å; N395-H456 VanDerWaalsContact CA-CE1 3.43Å; N395-H456 WeakPolarHBondContact CA-CE1 3.23Å; N395-H456 WeakPolarHBondContact CA-NE2 3.39Å; N395-H456 WeakPolarHBondContact CB-NE2 3.48Å; N395-H456 PolarHBondContact N-NE2 3.25Å; I399-H456 WeakPolarHBondContact O-CB 3.22Å; T400-H456 CarbonylContact C-O 3.47Å; T400-H456 WeakPolarHBondContact CA-O 3.49Å; I401-H456 HydrophobicContact CD1-CB 4.05Å; I401-H456 HydrophobicContact CG1-CB 4.16Å; I401-H456 PolarHBondContact N-O 2.84Å; G452-H456 PolarHBondContact O-CD2 2.85Å; G452-H456 VanDerWaalsContact O-CD2 3.3Å; I453-H456 WeakPolarHBondContact O-CB 3.17Å; I453-H456 PolarHBondContact O-N 3.29Å; T454-H456 PolarHBondContact O-N 3.04Å; T454-H456 VanDerWaalsContact O-N 3.13Å |
| 457 | V | 92.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 138.7 | 172.6 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | T406 T454 N459 L462 F471 K473 | T406-V457 HydrophobicContact CG2-CG1 4.44Å; T406-V457 HydrophobicContact CG2-CG2 4.21Å; T454-V457 PolarHBondContact O-N 3.42Å; T454-V457 VanDerWaalsContact O-N 3.17Å; V457-N459 PolarHBondContact O-N 3.23Å; V457-L462 HydrophobicContact CG1-CD2 3.97Å; V457-F471 HydrophobicContact CB-CZ 4.12Å; V457-F471 HydrophobicContact CG1-CE1 4.01Å; V457-F471 HydrophobicContact CG1-CZ 3.84Å; V457-F471 HydrophobicContact CG2-CE2 4.36Å; V457-F471 HydrophobicContact CG2-CZ 4.19Å; V457-K473 PolarHBondContact O-NZ 2.96Å; V457-K473 VanDerWaalsContact O-NZ 3.14Å |
| 458 | V | 90.2 | Very high | 90.8 | Very high | 32 Ų | 32 | 50.6 Ų | 50.6 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | trans | -36.8 | 135.4 | 179.2 | -73.4 | 0 | 0 | 0 | 0 | 112.8 | T400 I401 E460 L462 K473 | T400-V458 HydrophobicContact CG2-CB 4.4Å; T400-V458 HydrophobicContact CG2-CG1 3.67Å; I401-V458 WeakPolarHBondContact O-CG1 3.47Å; I401-V458 PolarHBondContact O-N 3.48Å; V458-E460 PolarHBondContact O-N 3.43Å; V458-L462 HydrophobicContact CG2-CD2 4.36Å; V458-K473 PolarHBondContact O-NZ 2.84Å | ||
| 459 | N | 82.6 | Confident | 90.9 | Very high | 95 Ų | 95 | 48.1 Ų | 48.1 | 51% | 0.508 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -84.7 | 56.5 | -177.9 | -157.7 | 9.4 | 0 | 0 | 0 | 112.5 | V457 K473 E537 | V457-N459 PolarHBondContact O-N 3.23Å; N459-K473 WeakPolarHBondContact OD1-CE 3.32Å; N459-E537 PolarHBondContact ND2-OE1 3Å; N459-E537 PolarHBondContact OD1-OE1 3.08Å |
| 460 | E | 85.1 | Confident | 90.9 | Very high | 134 Ų | 134 | 48.8 Ų | 48.8 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -131.8 | 150 | 177.3 | -65.1 | -176.9 | 176.5 | 0 | 0 | 109.3 | V458 L462 | V458-E460 PolarHBondContact O-N 3.43Å; E460-L462 PolarHBondContact O-N 3.42Å |
| 461 | P | 87.5 | Confident | 90.9 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 58% | 0.584 | 27% | 0.265 | S | S | * | . | trans | -55.3 | 124.8 | 173.2 | -24.6 | 34.4 | 0 | 0 | 0 | 110.6 | K473 | P461-K473 CarbonylContact C-O 3.57Å; P461-K473 VanDerWaalsContact CA-O 3.23Å; P461-K473 WeakPolarHBondContact CA-O 3.41Å | ||
| 462 | L | 90.7 | Very high | 91 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 135.7 | -170 | -169.3 | 66.1 | 0 | 0 | 0 | 109.8 | K403 V457 V458 E460 I464 F471 T472 K473 | K403-L462 HydrophobicContact CB-CD1 3.92Å; K403-L462 HydrophobicContact CD-CD1 3.55Å; K403-L462 HydrophobicContact CG-CD1 3.68Å; V457-L462 HydrophobicContact CG1-CD2 3.97Å; V458-L462 HydrophobicContact CG2-CD2 4.36Å; E460-L462 PolarHBondContact O-N 3.42Å; L462-I464 HydrophobicContact CD1-CG1 4.31Å; L462-I464 HydrophobicContact CD2-CD1 3.72Å; L462-I464 HydrophobicContact CD2-CG1 4.07Å; L462-I464 HydrophobicContact CG-CD1 4.17Å; L462-I464 HydrophobicContact CG-CG1 3.94Å; L462-F471 HydrophobicContact CB-CE1 4.37Å; L462-F471 HydrophobicContact CD2-CD1 4.08Å; L462-F471 HydrophobicContact CD2-CE1 3.82Å; L462-F471 HydrophobicContact CG-CD1 4.49Å; L462-F471 HydrophobicContact CG-CE1 4.42Å; L462-T472 CarbonylContact O-C 3.47Å; L462-T472 VanDerWaalsContact O-CA 3.27Å; L462-T472 WeakPolarHBondContact O-CA 3.27Å; L462-K473 HydrophobicContact CB-CB 4.26Å; L462-K473 PolarHBondContact N-O 2.92Å; L462-K473 PolarHBondContact O-N 3.08Å |
| 463 | N | 92.4 | Very high | 91 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 117.6 | 169.4 | -176 | 2.3 | 0 | 0 | 0 | 107.9 | V465 | N463-V465 WeakPolarHBondContact OD1-CG2 3.38Å |
| 464 | I | 92.9 | Very high | 90.7 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.8 | 176.8 | -53.4 | 177.8 | 0 | 0 | 0 | 107.2 | K403 T406 E407 L410 L462 T466 F471 | K403-I464 HydrophobicContact CG-CD1 4.17Å; K403-I464 HydrophobicContact CG-CG1 4.48Å; T406-I464 HydrophobicContact CG2-CD1 3.78Å; E407-I464 HydrophobicContact CB-CD1 4.4Å; E407-I464 HydrophobicContact CB-CG2 4.09Å; E407-I464 HydrophobicContact CG-CG2 4.02Å; L410-I464 HydrophobicContact CD1-CB 4.2Å; L410-I464 HydrophobicContact CD1-CG2 4.01Å; L462-I464 HydrophobicContact CD1-CG1 4.31Å; L462-I464 HydrophobicContact CD2-CD1 3.72Å; L462-I464 HydrophobicContact CD2-CG1 4.07Å; L462-I464 HydrophobicContact CG-CD1 4.17Å; L462-I464 HydrophobicContact CG-CG1 3.94Å; I464-T466 HydrophobicContact CG2-CG2 4.15Å; I464-F471 HydrophobicContact CB-CB 4.39Å; I464-F471 PolarHBondContact N-O 2.97Å; I464-F471 PolarHBondContact O-N 3.09Å |
| 465 | V | 92.3 | Very high | 90.5 | Very high | 97 Ų | 97 | 49.6 Ų | 49.6 | 59% | 0.588 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 107.7 | 178 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | N463 I470 | N463-V465 WeakPolarHBondContact OD1-CG2 3.38Å; V465-I470 HydrophobicContact CG1-CD1 4.47Å; V465-I470 HydrophobicContact CG1-CG1 4.19Å; V465-I470 HydrophobicContact CG2-CG2 4.3Å |
| 466 | T | 93 | Very high | 90.1 | Very high | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.104 | 24% | 0.244 | C | C | . | . | trans | -99.1 | 178.5 | 168.6 | 77 | 0 | 0 | 0 | 0 | 109.9 | L410 E411 I464 Y468 I469 | L410-T466 HydrophobicContact CB-CG2 3.72Å; L410-T466 HydrophobicContact CD1-CG2 4.43Å; E411-T466 HydrophobicContact CG-CG2 4.03Å; I464-T466 HydrophobicContact CG2-CG2 4.15Å; T466-Y468 VanDerWaalsContact C-N 3.32Å; T466-Y468 PolarHBondContact O-N 2.97Å; T466-I469 WeakPolarHBondContact CB-O 3.34Å; T466-I469 PolarHBondContact N-O 2.85Å; T466-I469 VanDerWaalsContact N-O 3.11Å; T466-I469 PolarHBondContact OG1-N 2.96Å; T466-I469 VanDerWaalsContact OG1-N 3.08Å; T466-I469 PolarHBondContact OG1-O 2.82Å | ||
| 467 | Q | 89.3 | Confident | 89.3 | Confident | 154 Ų | 154 | 48.7 Ų | 48.7 | 72% | 0.72 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -62.5 | -35.6 | 179.6 | -174.6 | 175.6 | 0.1 | 0 | 0 | 113.5 | ||
| 468 | Y | 92.2 | Very high | 88.4 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 28% | 0.275 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -121 | -19.9 | -170.5 | -55.1 | -69.9 | 0 | 0 | 0 | 114.2 | G414 T418 T466 A508 | G414-Y468 WeakPolarHBondContact O-CD2 3.37Å; T418-Y468 HydrophobicContact CG2-CD1 4.17Å; T418-Y468 HydrophobicContact CG2-CD2 4.23Å; T418-Y468 HydrophobicContact CG2-CE1 3.7Å; T418-Y468 HydrophobicContact CG2-CE2 3.75Å; T418-Y468 HydrophobicContact CG2-CG 4.41Å; T418-Y468 VanDerWaalsContact CG2-CZ 3.45Å; T466-Y468 VanDerWaalsContact C-N 3.32Å; T466-Y468 PolarHBondContact O-N 2.97Å; Y468-A508 WeakPolarHBondContact O-CB 3.19Å; Y468-A508 PolarHBondContact O-N 2.96Å |
| 469 | I | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 131.7 | -177.3 | -50.6 | 175.5 | 0 | 0 | 0 | 109.5 | L410 A413 T466 I505 L506 F507 | L410-I469 HydrophobicContact CD2-CB 4.34Å; L410-I469 HydrophobicContact CD2-CG2 3.76Å; A413-I469 HydrophobicContact CB-CD1 3.88Å; T466-I469 WeakPolarHBondContact CB-O 3.34Å; T466-I469 PolarHBondContact N-O 2.85Å; T466-I469 VanDerWaalsContact N-O 3.11Å; T466-I469 PolarHBondContact OG1-N 2.96Å; T466-I469 VanDerWaalsContact OG1-N 3.08Å; T466-I469 PolarHBondContact OG1-O 2.82Å; I469-I505 HydrophobicContact CG2-CG2 3.39Å; I469-L506 WeakPolarHBondContact CA-O 3.5Å; I469-F507 HydrophobicContact CD1-CD1 3.79Å; I469-F507 HydrophobicContact CD1-CE1 3.75Å; I469-F507 HydrophobicContact CG1-CD1 3.84Å; I469-F507 HydrophobicContact CG1-CE1 4.26Å; I469-F507 HydrophobicContact CG2-CD1 4.15Å; I469-F507 HydrophobicContact CG2-CE1 4.21Å |
| 470 | I | 93.1 | Very high | 87.6 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.108 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.2 | 174.4 | -62.4 | 169.8 | 0 | 0 | 0 | 107.9 | V465 N485 I505 L506 | V465-I470 HydrophobicContact CG1-CD1 4.47Å; V465-I470 HydrophobicContact CG1-CG1 4.19Å; V465-I470 HydrophobicContact CG2-CG2 4.3Å; I470-N485 HydrophobicContact CD1-CB 3.65Å; I470-I505 CarbonylContact O-C 3.55Å; I470-I505 VanDerWaalsContact O-CA 3.32Å; I470-I505 WeakPolarHBondContact O-CA 3.49Å; I470-L506 HydrophobicContact CB-CB 4.28Å; I470-L506 HydrophobicContact CD1-CD2 4.39Å; I470-L506 PolarHBondContact N-O 2.96Å; I470-L506 PolarHBondContact O-N 3.07Å |
| 471 | F | 93.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.1 | 174.4 | 176.5 | -81.7 | 0 | 0 | 0 | 109.2 | T406 L410 T454 V457 L462 I464 K473 A503 V504 I505 | T406-F471 HydrophobicContact CG2-CD2 4.5Å; T406-F471 HydrophobicContact CG2-CG 4.4Å; L410-F471 HydrophobicContact CD1-CB 3.48Å; L410-F471 VanDerWaalsContact CD1-CB 3.48Å; L410-F471 HydrophobicContact CD1-CG 4.36Å; T454-F471 HydrophobicContact CG2-CE2 4.1Å; V457-F471 HydrophobicContact CB-CZ 4.12Å; V457-F471 HydrophobicContact CG1-CE1 4.01Å; V457-F471 HydrophobicContact CG1-CZ 3.84Å; V457-F471 HydrophobicContact CG2-CE2 4.36Å; V457-F471 HydrophobicContact CG2-CZ 4.19Å; L462-F471 HydrophobicContact CB-CE1 4.37Å; L462-F471 HydrophobicContact CD2-CD1 4.08Å; L462-F471 HydrophobicContact CD2-CE1 3.82Å; L462-F471 HydrophobicContact CG-CD1 4.49Å; L462-F471 HydrophobicContact CG-CE1 4.42Å; I464-F471 HydrophobicContact CB-CB 4.39Å; I464-F471 PolarHBondContact N-O 2.97Å; I464-F471 PolarHBondContact O-N 3.09Å; F471-K473 HydrophobicContact CE1-CB 3.77Å; F471-K473 HydrophobicContact CZ-CB 4.08Å; F471-A503 HydrophobicContact CE2-CB 4.3Å; F471-A503 HydrophobicContact CZ-CB 4.17Å; F471-V504 CarbonylContact C-O 3.47Å; F471-V504 WeakPolarHBondContact CA-O 3.3Å; F471-I505 HydrophobicContact CD2-CD1 3.7Å; F471-I505 HydrophobicContact CD2-CG1 3.65Å; F471-I505 HydrophobicContact CE2-CD1 4.08Å; F471-I505 HydrophobicContact CE2-CG1 4.14Å |
| 472 | T | 91.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.3 | 174.3 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | L462 I474 F484 A503 V504 | L462-T472 CarbonylContact O-C 3.47Å; L462-T472 VanDerWaalsContact O-CA 3.27Å; L462-T472 WeakPolarHBondContact O-CA 3.27Å; T472-I474 HydrophobicContact CG2-CG2 3.75Å; T472-F484 HydrophobicContact CG2-CE1 3.84Å; T472-A503 CarbonylContact O-C 3.52Å; T472-A503 WeakPolarHBondContact O-CA 3.29Å; T472-V504 PolarHBondContact N-O 3.08Å; T472-V504 PolarHBondContact O-N 2.84Å |
| 473 | K | 89.9 | Confident | 86.9 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.4 | 170.8 | -171.8 | 170.2 | -177 | 170 | 0 | 108.7 | V457 V458 N459 P461 L462 F471 V502 A503 | V457-K473 PolarHBondContact O-NZ 2.96Å; V457-K473 VanDerWaalsContact O-NZ 3.14Å; V458-K473 PolarHBondContact O-NZ 2.84Å; N459-K473 WeakPolarHBondContact OD1-CE 3.32Å; P461-K473 CarbonylContact C-O 3.57Å; P461-K473 VanDerWaalsContact CA-O 3.23Å; P461-K473 WeakPolarHBondContact CA-O 3.41Å; L462-K473 HydrophobicContact CB-CB 4.26Å; L462-K473 PolarHBondContact N-O 2.92Å; L462-K473 PolarHBondContact O-N 3.08Å; F471-K473 HydrophobicContact CE1-CB 3.77Å; F471-K473 HydrophobicContact CZ-CB 4.08Å; K473-V502 WeakPolarHBondContact CA-O 3.08Å; K473-A503 HydrophobicContact CB-CB 4.5Å; K473-A503 HydrophobicContact CG-CB 4.36Å |
| 474 | I | 87.8 | Confident | 86.2 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.9 | -168.3 | 41.4 | 159.4 | 0 | 0 | 0 | 110 | T472 F480 S501 V502 | T472-I474 HydrophobicContact CG2-CG2 3.75Å; I474-F480 HydrophobicContact CD1-CD1 4.45Å; I474-F480 HydrophobicContact CD1-CD2 3.53Å; I474-F480 HydrophobicContact CD1-CE1 3.89Å; I474-F480 HydrophobicContact CD1-CE2 2.87Å; I474-F480 HydrophobicContact CD1-CG 4.27Å; I474-F480 HydrophobicContact CD1-CZ 3.06Å; I474-F480 HydrophobicContact CG1-CE2 4.35Å; I474-S501 CarbonylContact O-C 3.53Å; I474-S501 VanDerWaalsContact O-CA 3.23Å; I474-S501 WeakPolarHBondContact O-CA 3.43Å; I474-V502 HydrophobicContact CD1-CG1 3.6Å; I474-V502 HydrophobicContact CG1-CG1 3.6Å; I474-V502 WeakPolarHBondContact CG1-O 3.45Å; I474-V502 PolarHBondContact N-O 3.06Å; I474-V502 PolarHBondContact O-N 2.97Å |
| 475 | N | 86.6 | Confident | 85.4 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.7 | 179.4 | -64.7 | -12 | 0 | 0 | 0 | 109.2 | Q500 S501 | N475-Q500 CarbonylContact C-O 3.53Å; N475-Q500 VanDerWaalsContact CA-O 3.29Å; N475-Q500 WeakPolarHBondContact CA-O 3.48Å; N475-S501 WeakPolarHBondContact OD1-CB 3.44Å |
| 476 | F | 81.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 54 Ų | 54 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 170.8 | 179.6 | 66.4 | -78 | 0 | 0 | 0 | 111 | F480 I492 A495 R499 Q500 V502 I540 | F476-F480 HydrophobicContact CB-CB 4.19Å; F476-F480 HydrophobicContact CD1-CB 4.19Å; F476-F480 HydrophobicContact CD1-CG 4.45Å; F476-F480 HydrophobicContact CD2-CB 3.62Å; F476-F480 HydrophobicContact CE2-CB 3.96Å; F476-F480 HydrophobicContact CG-CB 3.74Å; F476-F480 HydrophobicContact CG-CG 4.41Å; F476-F480 HydrophobicContact CZ-CB 4.42Å; F476-I492 HydrophobicContact CE2-CG2 4.14Å; F476-I492 HydrophobicContact CZ-CD1 4.01Å; F476-I492 HydrophobicContact CZ-CG2 4.39Å; F476-A495 HydrophobicContact CD2-CB 4.2Å; F476-A495 HydrophobicContact CE2-CB 3.79Å; F476-R499 WeakPolarHBondContact O-CA 3.34Å; F476-Q500 HydrophobicContact CE1-CB 3.99Å; F476-Q500 HydrophobicContact CE2-CB 4.4Å; F476-Q500 HydrophobicContact CZ-CB 3.93Å; F476-Q500 PolarHBondContact N-O 2.83Å; F476-Q500 PolarHBondContact O-N 3.29Å; F476-V502 HydrophobicContact CD1-CG1 4.11Å; F476-V502 HydrophobicContact CE1-CB 3.95Å; F476-V502 HydrophobicContact CE1-CG1 3.66Å; F476-I540 HydrophobicContact CZ-CD1 4.26Å |
| 477 | T | 75.8 | Confident | 83.7 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -137.8 | -20.1 | -173.1 | -45.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 478 | N | 73.8 | Confident | 83.5 | Confident | 111 Ų | 111 | 46.5 Ų | 46.5 | 59% | 0.594 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -129.5 | -113.7 | 179.8 | -65.1 | -40.1 | 0 | 0 | 0 | 108.9 | A495 | N478-A495 WeakPolarHBondContact O-CB 3.36Å; N478-A495 PolarHBondContact O-N 2.89Å; N478-A495 VanDerWaalsContact O-N 3.11Å |
| 479 | N | 76.9 | Confident | 83.2 | Confident | 111 Ų | 111 | 45.3 Ų | 45.3 | 59% | 0.594 | 25% | 0.245 | S | C | * | . | trans | -80 | 152.3 | 168.7 | 62.7 | 2 | 0 | 0 | 0 | 110.8 | I492 | N479-I492 CarbonylContact C-O 3.49Å; N479-I492 VanDerWaalsContact CA-O 3.26Å; N479-I492 WeakPolarHBondContact CA-O 3.27Å | ||
| 480 | F | 79.9 | Confident | 82.8 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.1 | 170.5 | 164.7 | -102.1 | 0 | 0 | 0 | 108.3 | I474 F476 D482 F484 I490 D491 I492 | I474-F480 HydrophobicContact CD1-CD1 4.45Å; I474-F480 HydrophobicContact CD1-CD2 3.53Å; I474-F480 HydrophobicContact CD1-CE1 3.89Å; I474-F480 HydrophobicContact CD1-CE2 2.87Å; I474-F480 HydrophobicContact CD1-CG 4.27Å; I474-F480 HydrophobicContact CD1-CZ 3.06Å; I474-F480 HydrophobicContact CG1-CE2 4.35Å; F476-F480 HydrophobicContact CB-CB 4.19Å; F476-F480 HydrophobicContact CD1-CB 4.19Å; F476-F480 HydrophobicContact CD1-CG 4.45Å; F476-F480 HydrophobicContact CD2-CB 3.62Å; F476-F480 HydrophobicContact CE2-CB 3.96Å; F476-F480 HydrophobicContact CG-CB 3.74Å; F476-F480 HydrophobicContact CG-CG 4.41Å; F476-F480 HydrophobicContact CZ-CB 4.42Å; F480-D482 HydrophobicContact CE1-CB 4.29Å; F480-D482 HydrophobicContact CE2-CB 3.43Å; F480-D482 VanDerWaalsContact CE2-CB 3.43Å; F480-D482 HydrophobicContact CZ-CB 3.27Å; F480-F484 HydrophobicContact CE1-CE2 4.48Å; F480-F484 HydrophobicContact CZ-CE2 4.12Å; F480-F484 AromaticContact CZ-CZ 3.94Å; F480-F484 HydrophobicContact CZ-CZ 3.94Å; F480-I490 HydrophobicContact CD1-CG2 4.28Å; F480-I490 HydrophobicContact CE1-CB 4.09Å; F480-I490 HydrophobicContact CE1-CG2 3.89Å; F480-D491 CarbonylContact O-C 3.58Å; F480-D491 VanDerWaalsContact O-CA 3.27Å; F480-D491 WeakPolarHBondContact O-CA 3.3Å; F480-I492 HydrophobicContact CB-CB 4.23Å; F480-I492 HydrophobicContact CD1-CB 4.47Å; F480-I492 HydrophobicContact CD1-CD1 3.82Å; F480-I492 HydrophobicContact CD1-CG1 4.19Å; F480-I492 PolarHBondContact N-O 3.13Å; F480-I492 PolarHBondContact O-N 2.82Å |
| 481 | Q | 83.4 | Confident | 82.5 | Confident | 121 Ų | 121 | 46.9 Ų | 46.9 | 57% | 0.565 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 123.6 | 173 | -174.5 | -179.2 | -0.8 | 0 | 0 | 107.7 | E489 I490 D491 | Q481-E489 PolarHBondContact NE2-OE1 2.87Å; Q481-I490 VanDerWaalsContact CA-O 3.29Å; Q481-I490 WeakPolarHBondContact CA-O 3.31Å; Q481-D491 HydrophobicContact CG-CB 4.47Å |
| 482 | D | 81.5 | Confident | 82 | Confident | 68 Ų | 68 | 46.8 Ų | 46.8 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 154.5 | 177.2 | -151.4 | -5.9 | 0 | 0 | 0 | 111.5 | F480 F484 E489 I490 | F480-D482 HydrophobicContact CE1-CB 4.29Å; F480-D482 HydrophobicContact CE2-CB 3.43Å; F480-D482 VanDerWaalsContact CE2-CB 3.43Å; F480-D482 HydrophobicContact CZ-CB 3.27Å; D482-F484 HydrophobicContact CB-CE2 3.99Å; D482-F484 HydrophobicContact CB-CZ 4.07Å; D482-E489 WeakPolarHBondContact O-CA 3.4Å; D482-I490 PolarHBondContact N-O 2.99Å; D482-I490 VanDerWaalsContact N-O 3.09Å; D482-I490 PolarHBondContact O-N 2.82Å |
| 483 | D | 82.8 | Confident | 81 | Confident | 74 Ų | 74 | 49 Ų | 49 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.5 | -179.7 | 177.4 | -107.7 | 0 | 0 | 0 | 110.2 | S486 | D483-S486 WeakPolarHBondContact OD1-CA 3.39Å; D483-S486 PolarHBondContact OD1-N 3.42Å; D483-S486 PolarHBondContact OD1-OG 2.92Å; D483-S486 VanDerWaalsContact OD1-OG 3.09Å; D483-S486 WeakPolarHBondContact OD2-CA 3.44Å |
| 484 | F | 78.9 | Confident | 79.9 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 102 | -179.3 | -61.6 | -83.5 | 0 | 0 | 0 | 109.4 | T472 F480 D482 S486 S487 V488 I490 V504 L506 | T472-F484 HydrophobicContact CG2-CE1 3.84Å; F480-F484 HydrophobicContact CE1-CE2 4.48Å; F480-F484 HydrophobicContact CZ-CE2 4.12Å; F480-F484 AromaticContact CZ-CZ 3.94Å; F480-F484 HydrophobicContact CZ-CZ 3.94Å; D482-F484 HydrophobicContact CB-CE2 3.99Å; D482-F484 HydrophobicContact CB-CZ 4.07Å; F484-S486 PolarHBondContact O-N 2.92Å; F484-S487 PolarHBondContact O-N 2.97Å; F484-S487 PolarHBondContact O-OG 3.01Å; F484-S487 VanDerWaalsContact O-OG 3.09Å; F484-V488 WeakPolarHBondContact CB-O 3.47Å; F484-V488 PolarHBondContact N-O 3.33Å; F484-V488 PolarHBondContact O-N 3Å; F484-I490 HydrophobicContact CD2-CD1 3.92Å; F484-I490 HydrophobicContact CD2-CG1 4.21Å; F484-I490 HydrophobicContact CE2-CB 4.13Å; F484-I490 HydrophobicContact CE2-CD1 3.67Å; F484-I490 HydrophobicContact CE2-CG1 4.09Å; F484-V504 HydrophobicContact CD1-CG1 4.31Å; F484-V504 HydrophobicContact CD2-CG1 4.41Å; F484-V504 HydrophobicContact CE1-CB 4.18Å; F484-V504 HydrophobicContact CE1-CG1 4.19Å; F484-V504 HydrophobicContact CE1-CG2 4.48Å; F484-V504 HydrophobicContact CE2-CG1 4.3Å; F484-V504 HydrophobicContact CE2-CG2 4.41Å; F484-V504 HydrophobicContact CG-CG1 4.41Å; F484-V504 HydrophobicContact CZ-CB 4.14Å; F484-V504 HydrophobicContact CZ-CG1 4.16Å; F484-V504 HydrophobicContact CZ-CG2 3.96Å; F484-L506 HydrophobicContact CB-CD2 4.08Å |
| 485 | N | 76.3 | Confident | 78.5 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 29.8 | 176.1 | -169.7 | 56.5 | 0 | 0 | 0 | 113.5 | I470 S487 L506 | I470-N485 HydrophobicContact CD1-CB 3.65Å; N485-S487 PolarHBondContact O-N 3.42Å; N485-S487 PolarHBondContact O-OG 3.38Å; N485-L506 HydrophobicContact CB-CD2 4.14Å |
| 486 | S | 72.9 | Confident | 77.2 | Confident | 86 Ų | 86 | 61.9 Ų | 61.9 | 60% | 0.601 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 41 | -179.8 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | D483 F484 | D483-S486 WeakPolarHBondContact OD1-CA 3.39Å; D483-S486 PolarHBondContact OD1-N 3.42Å; D483-S486 PolarHBondContact OD1-OG 2.92Å; D483-S486 VanDerWaalsContact OD1-OG 3.09Å; D483-S486 WeakPolarHBondContact OD2-CA 3.44Å; F484-S486 PolarHBondContact O-N 2.92Å |
| 487 | S | 76.7 | Confident | 75.9 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.6 | -25.9 | -175.8 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | F484 N485 R530 D548 | F484-S487 PolarHBondContact O-N 2.97Å; F484-S487 PolarHBondContact O-OG 3.01Å; F484-S487 VanDerWaalsContact O-OG 3.09Å; N485-S487 PolarHBondContact O-N 3.42Å; N485-S487 PolarHBondContact O-OG 3.38Å; S487-R530 VanDerWaalsContact OG-CD 3.25Å; S487-R530 WeakPolarHBondContact OG-CD 3.34Å; S487-R530 PolarHBondContact OG-NE 3.38Å; S487-R530 VanDerWaalsContact OG-NE 3.15Å; S487-D548 PolarHBondContact O-N 2.88Å |
| 488 | V | 84.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 120.1 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 109 | F484 I490 L506 R530 V532 I545 A546 F547 | F484-V488 WeakPolarHBondContact CB-O 3.47Å; F484-V488 PolarHBondContact N-O 3.33Å; F484-V488 PolarHBondContact O-N 3Å; V488-I490 HydrophobicContact CG1-CG1 4.19Å; V488-L506 HydrophobicContact CB-CD1 4.16Å; V488-L506 HydrophobicContact CG2-CD1 3.52Å; V488-R530 HydrophobicContact CG2-CB 4.1Å; V488-V532 HydrophobicContact CG1-CB 4.48Å; V488-V532 HydrophobicContact CG1-CG1 4.33Å; V488-I545 HydrophobicContact CG1-CG2 3.75Å; V488-A546 CarbonylContact C-O 3.55Å; V488-A546 WeakPolarHBondContact CA-O 2.97Å; V488-F547 HydrophobicContact CG1-CD1 4.4Å; V488-F547 HydrophobicContact CG1-CE1 4.24Å; V488-F547 HydrophobicContact CG2-CD1 3.79Å; V488-F547 HydrophobicContact CG2-CE1 4.1Å |
| 489 | E | 86.6 | Confident | 75.1 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.2 | 172.3 | -174.4 | -175.4 | -169.4 | 0 | 0 | 108.6 | Q481 D482 I545 A546 R589 | Q481-E489 PolarHBondContact NE2-OE1 2.87Å; D482-E489 WeakPolarHBondContact O-CA 3.4Å; E489-I545 CarbonylContact O-C 3.35Å; E489-I545 WeakPolarHBondContact O-CA 2.95Å; E489-A546 HydrophobicContact CB-CB 3.86Å; E489-A546 PolarHBondContact N-O 3.2Å; E489-A546 PolarHBondContact O-N 3.24Å; E489-R589 IonicContact OE1-NH2 3.01Å; E489-R589 IonicContact OE2-CZ 2.72Å; E489-R589 IonicContact OE2-NH2 2.58Å; E489-R589 PolarHBondContact OE2-NH2 2.83Å |
| 490 | I | 85.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.8 | 176.9 | -62.7 | 169.1 | 0 | 0 | 0 | 108.4 | F480 Q481 D482 F484 V488 I492 V504 V532 I534 I543 I545 | F480-I490 HydrophobicContact CD1-CG2 4.28Å; F480-I490 HydrophobicContact CE1-CB 4.09Å; F480-I490 HydrophobicContact CE1-CG2 3.89Å; Q481-I490 VanDerWaalsContact CA-O 3.29Å; Q481-I490 WeakPolarHBondContact CA-O 3.31Å; D482-I490 PolarHBondContact N-O 2.99Å; D482-I490 VanDerWaalsContact N-O 3.09Å; D482-I490 PolarHBondContact O-N 2.82Å; F484-I490 HydrophobicContact CD2-CD1 3.92Å; F484-I490 HydrophobicContact CD2-CG1 4.21Å; F484-I490 HydrophobicContact CE2-CB 4.13Å; F484-I490 HydrophobicContact CE2-CD1 3.67Å; F484-I490 HydrophobicContact CE2-CG1 4.09Å; V488-I490 HydrophobicContact CG1-CG1 4.19Å; I490-I492 HydrophobicContact CG2-CD1 4.49Å; I490-I492 HydrophobicContact CG2-CG1 4.31Å; I490-V504 HydrophobicContact CD1-CG1 3.7Å; I490-V504 HydrophobicContact CD1-CG2 3.93Å; I490-V532 HydrophobicContact CD1-CG2 4.22Å; I490-I534 HydrophobicContact CD1-CD1 3.56Å; I490-I534 HydrophobicContact CD1-CG1 3.98Å; I490-I534 HydrophobicContact CG1-CD1 4.09Å; I490-I534 HydrophobicContact CG2-CD1 4.41Å; I490-I543 HydrophobicContact CG2-CD1 3.81Å; I490-I543 HydrophobicContact CG2-CG1 4.05Å; I490-I545 HydrophobicContact CG1-CG2 4.23Å |
| 491 | D | 85.7 | Confident | 75.2 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 122 | 174.8 | -179.5 | 14.2 | 0 | 0 | 0 | 110.4 | F480 Q481 S544 | F480-D491 CarbonylContact O-C 3.58Å; F480-D491 VanDerWaalsContact O-CA 3.27Å; F480-D491 WeakPolarHBondContact O-CA 3.3Å; Q481-D491 HydrophobicContact CG-CB 4.47Å; D491-S544 PolarHBondContact N-O 3.23Å; D491-S544 PolarHBondContact O-N 2.67Å |
| 492 | I | 83.1 | Confident | 75.3 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 105.4 | 174.3 | -61.6 | 165.6 | 0 | 0 | 0 | 107.1 | F476 N479 F480 I490 I540 I543 | F476-I492 HydrophobicContact CE2-CG2 4.14Å; F476-I492 HydrophobicContact CZ-CD1 4.01Å; F476-I492 HydrophobicContact CZ-CG2 4.39Å; N479-I492 CarbonylContact C-O 3.49Å; N479-I492 VanDerWaalsContact CA-O 3.26Å; N479-I492 WeakPolarHBondContact CA-O 3.27Å; F480-I492 HydrophobicContact CB-CB 4.23Å; F480-I492 HydrophobicContact CD1-CB 4.47Å; F480-I492 HydrophobicContact CD1-CD1 3.82Å; F480-I492 HydrophobicContact CD1-CG1 4.19Å; F480-I492 PolarHBondContact N-O 3.13Å; F480-I492 PolarHBondContact O-N 2.82Å; I490-I492 HydrophobicContact CG2-CD1 4.49Å; I490-I492 HydrophobicContact CG2-CG1 4.31Å; I492-I540 HydrophobicContact CD1-CD1 3.64Å; I492-I540 HydrophobicContact CG1-CD1 4.41Å; I492-I540 HydrophobicContact CG2-CD1 4.2Å; I492-I540 HydrophobicContact CG2-CG2 3.91Å; I492-I543 HydrophobicContact CD1-CD1 4.26Å; I492-I543 HydrophobicContact CG1-CD1 4.03Å; I492-I543 HydrophobicContact CG1-CG1 3.92Å |
| 493 | P | 70.8 | Confident | 75.7 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | trans | -75.5 | -27.9 | -166.9 | 23.1 | -31.1 | 0 | 0 | 0 | 115.4 | N542 | P493-N542 WeakPolarHBondContact CD-O 3.4Š| ||
| 494 | E | 67.2 | Low | 76.1 | Confident | 173 Ų | 173 | 50.4 Ų | 50.4 | 81% | 0.808 | 28% | 0.276 | S | S | * | . | trans | -147.7 | 105.5 | -176.6 | -69.8 | -176.1 | 160.4 | 0 | 0 | 112.9 | ||||
| 495 | A | 59.4 | Low | 76.7 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | trans | -89 | 120 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | F476 N478 G497 Q500 | F476-A495 HydrophobicContact CD2-CB 4.2Å; F476-A495 HydrophobicContact CE2-CB 3.79Å; N478-A495 WeakPolarHBondContact O-CB 3.36Å; N478-A495 PolarHBondContact O-N 2.89Å; N478-A495 VanDerWaalsContact O-N 3.11Å; A495-G497 VanDerWaalsContact C-N 3.33Å; A495-G497 PolarHBondContact O-N 2.9Å; A495-Q500 HydrophobicContact CB-CG 4.3Å | ||
| 496 | E | 57.7 | Low | 77.4 | Confident | 182 Ų | 182 | 45.9 Ų | 45.9 | 85% | 0.85 | 25% | 0.252 | S | S | * | . | trans | -64.5 | 89.4 | 176.1 | -73.7 | -169 | 165.8 | 0 | 0 | 110.9 | S498 | E496-S498 PolarHBondContact O-N 2.05Å; E496-S498 PolarHBondContact O-OG 2.02Å | ||
| 497 | G | 55.8 | Low | 78.3 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 74% | 0.742 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 55.5 | 0.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | A495 | A495-G497 VanDerWaalsContact C-N 3.33Å; A495-G497 PolarHBondContact O-N 2.9Å |
| 498 | S | 64.4 | Low | 78.8 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 42% | 0.42 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -112.2 | 141.9 | -175.5 | 50.5 | 0 | 0 | 0 | 0 | 109 | E496 Q500 | E496-S498 PolarHBondContact O-N 2.05Å; E496-S498 PolarHBondContact O-OG 2.02Å; S498-Q500 PolarHBondContact O-N 3.36Å |
| 499 | R | 67.3 | Low | 79 | Confident | 183 Ų | 183 | 43.7 Ų | 43.7 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | trans | -68.3 | 114.3 | 175.7 | -172.5 | 178.3 | -174.8 | 143.5 | 4.8 | 107.7 | F476 | F476-R499 WeakPolarHBondContact O-CA 3.34Š| ||
| 500 | Q | 76.1 | Confident | 79.2 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 149.1 | 178 | -65.9 | -177.9 | 0.9 | 0 | 0 | 109.5 | N475 F476 A495 S498 S538 | N475-Q500 CarbonylContact C-O 3.53Å; N475-Q500 VanDerWaalsContact CA-O 3.29Å; N475-Q500 WeakPolarHBondContact CA-O 3.48Å; F476-Q500 HydrophobicContact CE1-CB 3.99Å; F476-Q500 HydrophobicContact CE2-CB 4.4Å; F476-Q500 HydrophobicContact CZ-CB 3.93Å; F476-Q500 PolarHBondContact N-O 2.83Å; F476-Q500 PolarHBondContact O-N 3.29Å; A495-Q500 HydrophobicContact CB-CG 4.3Å; S498-Q500 PolarHBondContact O-N 3.36Å; Q500-S538 VanDerWaalsContact CD-OG 3.3Å; Q500-S538 PolarHBondContact NE2-OG 3.44Å |
| 501 | S | 83 | Confident | 79.3 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.6 | 163.9 | 88.6 | 0 | 0 | 0 | 0 | 110.7 | I474 N475 E537 | I474-S501 CarbonylContact O-C 3.53Å; I474-S501 VanDerWaalsContact O-CA 3.23Å; I474-S501 WeakPolarHBondContact O-CA 3.43Å; N475-S501 WeakPolarHBondContact OD1-CB 3.44Å; S501-E537 WeakPolarHBondContact CB-OE1 3.08Å; S501-E537 PolarHBondContact O-N 3.09Å; S501-E537 WeakPolarHBondContact OG-CG 2.99Å; S501-E537 PolarHBondContact OG-OE1 3.37Å |
| 502 | V | 86.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.9 | 171.9 | 64.4 | 0 | 0 | 0 | 0 | 109.1 | K473 I474 F476 V504 I534 | K473-V502 WeakPolarHBondContact CA-O 3.08Å; I474-V502 HydrophobicContact CD1-CG1 3.6Å; I474-V502 HydrophobicContact CG1-CG1 3.6Å; I474-V502 WeakPolarHBondContact CG1-O 3.45Å; I474-V502 PolarHBondContact N-O 3.06Å; I474-V502 PolarHBondContact O-N 2.97Å; F476-V502 HydrophobicContact CD1-CG1 4.11Å; F476-V502 HydrophobicContact CE1-CB 3.95Å; F476-V502 HydrophobicContact CE1-CG1 3.66Å; V502-V504 HydrophobicContact CG2-CG2 4.24Å; V502-I534 HydrophobicContact CG2-CG2 3.63Å |
| 503 | A | 89.5 | Confident | 80.1 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T454 F471 T472 K473 Q535 | T454-A503 HydrophobicContact CG2-CB 3.41Å; T454-A503 VanDerWaalsContact CG2-CB 3.41Å; F471-A503 HydrophobicContact CE2-CB 4.3Å; F471-A503 HydrophobicContact CZ-CB 4.17Å; T472-A503 CarbonylContact O-C 3.52Å; T472-A503 WeakPolarHBondContact O-CA 3.29Å; K473-A503 HydrophobicContact CB-CB 4.5Å; K473-A503 HydrophobicContact CG-CB 4.36Å; A503-Q535 PolarHBondContact N-O 3.04Å; A503-Q535 PolarHBondContact O-N 3.14Å |
| 504 | V | 90.2 | Very high | 81.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.8 | -179.1 | -178.8 | 0 | 0 | 0 | 0 | 108 | F471 T472 F484 I490 V502 V532 L533 | F471-V504 CarbonylContact C-O 3.47Å; F471-V504 WeakPolarHBondContact CA-O 3.3Å; T472-V504 PolarHBondContact N-O 3.08Å; T472-V504 PolarHBondContact O-N 2.84Å; F484-V504 HydrophobicContact CD1-CG1 4.31Å; F484-V504 HydrophobicContact CD2-CG1 4.41Å; F484-V504 HydrophobicContact CE1-CB 4.18Å; F484-V504 HydrophobicContact CE1-CG1 4.19Å; F484-V504 HydrophobicContact CE1-CG2 4.48Å; F484-V504 HydrophobicContact CE2-CG1 4.3Å; F484-V504 HydrophobicContact CE2-CG2 4.41Å; F484-V504 HydrophobicContact CG-CG1 4.41Å; F484-V504 HydrophobicContact CZ-CB 4.14Å; F484-V504 HydrophobicContact CZ-CG1 4.16Å; F484-V504 HydrophobicContact CZ-CG2 3.96Å; I490-V504 HydrophobicContact CD1-CG1 3.7Å; I490-V504 HydrophobicContact CD1-CG2 3.93Å; V502-V504 HydrophobicContact CG2-CG2 4.24Å; V504-V532 HydrophobicContact CG1-CG2 3.61Å; V504-L533 CarbonylContact C-O 3.59Å; V504-L533 WeakPolarHBondContact CA-O 3.27Å |
| 505 | I | 91.9 | Very high | 82.1 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.9 | 171.8 | -46.6 | -164 | 0 | 0 | 0 | 108.8 | F450 T454 I469 I470 F471 F507 V532 L533 | F450-I505 HydrophobicContact CB-CD1 4.38Å; F450-I505 HydrophobicContact CD1-CD1 4.05Å; T454-I505 VanDerWaalsContact OG1-CD1 3.3Å; T454-I505 WeakPolarHBondContact OG1-CD1 3.26Å; I469-I505 HydrophobicContact CG2-CG2 3.39Å; I470-I505 CarbonylContact O-C 3.55Å; I470-I505 VanDerWaalsContact O-CA 3.32Å; I470-I505 WeakPolarHBondContact O-CA 3.49Å; F471-I505 HydrophobicContact CD2-CD1 3.7Å; F471-I505 HydrophobicContact CD2-CG1 3.65Å; F471-I505 HydrophobicContact CE2-CD1 4.08Å; F471-I505 HydrophobicContact CE2-CG1 4.14Å; I505-F507 HydrophobicContact CB-CE2 4.14Å; I505-F507 HydrophobicContact CG2-CD2 4.22Å; I505-F507 HydrophobicContact CG2-CE1 4.28Å; I505-F507 HydrophobicContact CG2-CE2 3.67Å; I505-F507 HydrophobicContact CG2-CZ 3.71Å; I505-V532 CarbonylContact O-C 3.56Å; I505-V532 WeakPolarHBondContact O-CA 3.2Å; I505-L533 HydrophobicContact CB-CB 4.2Å; I505-L533 HydrophobicContact CD1-CD2 4.19Å; I505-L533 HydrophobicContact CG1-CD2 4.38Å; I505-L533 PolarHBondContact N-O 3.44Å; I505-L533 PolarHBondContact O-N 3.31Å |
| 506 | L | 91.6 | Very high | 83.2 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.4 | 176.4 | -178.7 | 67.4 | 0 | 0 | 0 | 109.6 | I469 I470 F484 N485 V488 R530 V532 | I469-L506 WeakPolarHBondContact CA-O 3.5Å; I470-L506 HydrophobicContact CB-CB 4.28Å; I470-L506 HydrophobicContact CD1-CD2 4.39Å; I470-L506 PolarHBondContact N-O 2.96Å; I470-L506 PolarHBondContact O-N 3.07Å; F484-L506 HydrophobicContact CB-CD2 4.08Å; N485-L506 HydrophobicContact CB-CD2 4.14Å; V488-L506 HydrophobicContact CB-CD1 4.16Å; V488-L506 HydrophobicContact CG2-CD1 3.52Å; L506-R530 HydrophobicContact CD1-CB 3.63Å; L506-R530 HydrophobicContact CD1-CG 4.38Å; L506-V532 HydrophobicContact CD1-CB 4.23Å; L506-V532 HydrophobicContact CD1-CG2 4.49Å |
| 507 | F | 91.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.3 | 175.5 | -61.8 | -92 | 0 | 0 | 0 | 110.2 | T417 L447 F450 I469 I505 M510 V531 L533 | T417-F507 HydrophobicContact CG2-CD1 4.4Å; L447-F507 HydrophobicContact CD1-CE2 4.17Å; F450-F507 HydrophobicContact CB-CZ 4.45Å; F450-F507 HydrophobicContact CD1-CZ 4.48Å; F450-F507 HydrophobicContact CD2-CE1 4.32Å; F450-F507 HydrophobicContact CD2-CZ 4.04Å; F450-F507 HydrophobicContact CE2-CE1 4.4Å; F450-F507 HydrophobicContact CG-CZ 4.04Å; I469-F507 HydrophobicContact CD1-CD1 3.79Å; I469-F507 HydrophobicContact CD1-CE1 3.75Å; I469-F507 HydrophobicContact CG1-CD1 3.84Å; I469-F507 HydrophobicContact CG1-CE1 4.26Å; I469-F507 HydrophobicContact CG2-CD1 4.15Å; I469-F507 HydrophobicContact CG2-CE1 4.21Å; I505-F507 HydrophobicContact CB-CE2 4.14Å; I505-F507 HydrophobicContact CG2-CD2 4.22Å; I505-F507 HydrophobicContact CG2-CE1 4.28Å; I505-F507 HydrophobicContact CG2-CE2 3.67Å; I505-F507 HydrophobicContact CG2-CZ 3.71Å; F507-M510 HydrophobicContact CB-CB 3.77Å; F507-M510 HydrophobicContact CB-CG 4.26Å; F507-M510 HydrophobicContact CB-SD 4.22Å; F507-M510 HydrophobicContact CD1-SD 3.83Å; F507-M510 HydrophobicContact CE1-SD 4.33Å; F507-M510 HydrophobicContact CG-CB 4.43Å; F507-M510 HydrophobicContact CG-CG 4.4Å; F507-M510 HydrophobicContact CG-SD 3.99Å; F507-V531 PolarHBondContact N-O 3.01Å; F507-L533 HydrophobicContact CE2-CB 4.39Å |
| 508 | A | 86.4 | Confident | 85.5 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 20% | 0.198 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -73.2 | -37.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y468 R530 | Y468-A508 WeakPolarHBondContact O-CB 3.19Å; Y468-A508 PolarHBondContact O-N 2.96Å; A508-R530 VanDerWaalsContact CA-NH1 3.26Å; A508-R530 VanDerWaalsContact CB-NH1 3.28Å |
| 509 | S | 89.7 | Confident | 85.6 | Confident | 29 Ų | 29 | 27.5 Ų | 27.5 | 20% | 0.203 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -139.1 | 41.2 | -167.8 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | T417 D511 N512 | T417-S509 WeakPolarHBondContact O-CB 3.41Å; T417-S509 VanDerWaalsContact O-O 3.08Å; S509-D511 VanDerWaalsContact CA-OD1 3.26Å; S509-D511 WeakPolarHBondContact CA-OD1 3.36Å; S509-D511 PolarHBondContact O-N 2.86Å; S509-N512 WeakPolarHBondContact O-CB 3.39Å; S509-N512 PolarHBondContact O-N 3.25Å; S509-N512 VanDerWaalsContact O-N 3.14Å |
| 510 | M | 91.2 | Very high | 85.2 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -71.8 | -12.5 | -178.4 | -155.8 | 66.5 | 176.4 | 0 | 0 | 113.1 | T417 F446 L447 F507 N512 V513 L514 V531 | T417-M510 HydrophobicContact CG2-SD 3.98Å; F446-M510 HydrophobicContact CD1-CE 3.45Å; F446-M510 VanDerWaalsContact CD1-CE 3.45Å; F446-M510 HydrophobicContact CD1-SD 4.37Å; F446-M510 HydrophobicContact CE1-CE 3.66Å; F446-M510 HydrophobicContact CE1-SD 4.04Å; L447-M510 HydrophobicContact CB-CE 4.35Å; L447-M510 HydrophobicContact CD1-CE 4.19Å; F507-M510 HydrophobicContact CB-CB 3.77Å; F507-M510 HydrophobicContact CB-CG 4.26Å; F507-M510 HydrophobicContact CB-SD 4.22Å; F507-M510 HydrophobicContact CD1-SD 3.83Å; F507-M510 HydrophobicContact CE1-SD 4.33Å; F507-M510 HydrophobicContact CG-CB 4.43Å; F507-M510 HydrophobicContact CG-CG 4.4Å; F507-M510 HydrophobicContact CG-SD 3.99Å; M510-N512 PolarHBondContact O-N 3.38Å; M510-V513 HydrophobicContact CE-CB 4.16Å; M510-V513 HydrophobicContact CE-CG1 4Å; M510-V513 HydrophobicContact CG-CB 4.48Å; M510-V513 PolarHBondContact O-N 2.99Å; M510-V513 HydrophobicContact SD-CB 3.97Å; M510-V513 HydrophobicContact SD-CG1 4.42Å; M510-V513 HydrophobicContact SD-CG2 3.95Å; M510-L514 HydrophobicContact CE-CD1 4.16Å; M510-L514 HydrophobicContact CE-CG 4.11Å; M510-L514 HydrophobicContact CG-CD1 3.68Å; M510-L514 HydrophobicContact CG-CG 3.99Å; M510-L514 PolarHBondContact O-N 2.9Å; M510-V531 HydrophobicContact CB-CB 3.66Å; M510-V531 HydrophobicContact CB-CG1 4.43Å; M510-V531 HydrophobicContact CB-CG2 3.58Å; M510-V531 HydrophobicContact CG-CB 3.99Å; M510-V531 HydrophobicContact CG-CG1 4.22Å; M510-V531 HydrophobicContact CG-CG2 4.01Å |
| 511 | D | 87.8 | Confident | 84 | Confident | 57 Ų | 57 | 30.8 Ų | 30.8 | 31% | 0.305 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -62 | -19.2 | 168 | 65.3 | -63.8 | 0 | 0 | 0 | 112.8 | K422 S509 I527 | K422-D511 IonicContact NZ-OD2 3.53Å; S509-D511 VanDerWaalsContact CA-OD1 3.26Å; S509-D511 WeakPolarHBondContact CA-OD1 3.36Å; S509-D511 PolarHBondContact O-N 2.86Å; D511-I527 HydrophobicContact CB-CB 4.11Å; D511-I527 HydrophobicContact CB-CG2 4.13Å |
| 512 | N | 92.1 | Very high | 82.5 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -77 | -22.7 | 169.9 | -68 | -35.2 | 0 | 0 | 0 | 113.3 | T417 D419 K422 W425 S509 M510 | T417-N512 PolarHBondContact O-ND2 2.8Å; T417-N512 VanDerWaalsContact O-ND2 3.08Å; D419-N512 PolarHBondContact N-ND2 3.08Å; D419-N512 PolarHBondContact OD1-ND2 3.28Å; K422-N512 HydrophobicContact CB-CB 4.19Å; K422-N512 VanDerWaalsContact CD-OD1 3.28Å; K422-N512 WeakPolarHBondContact CD-OD1 3.47Å; K422-N512 WeakPolarHBondContact CE-OD1 3.45Å; K422-N512 HydrophobicContact CG-CB 4.21Å; K422-N512 WeakPolarHBondContact CG-OD1 3.29Å; K422-N512 PolarHBondContact NZ-OD1 3.02Å; W425-N512 WeakPolarHBondContact CB-O 3.43Å; S509-N512 WeakPolarHBondContact O-CB 3.39Å; S509-N512 PolarHBondContact O-N 3.25Å; S509-N512 VanDerWaalsContact O-N 3.14Å; M510-N512 PolarHBondContact O-N 3.38Å |
| 513 | V | 93.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -49.7 | -172.8 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | T417 W425 N429 S443 F446 M510 | T417-V513 HydrophobicContact CG2-CG2 4.05Å; W425-V513 HydrophobicContact CD2-CB 4.36Å; W425-V513 HydrophobicContact CD2-CG1 3.85Å; W425-V513 HydrophobicContact CD2-CG2 4.47Å; W425-V513 HydrophobicContact CE3-CG1 4.04Å; W425-V513 HydrophobicContact CG-CB 4.49Å; W425-V513 HydrophobicContact CG-CG1 4.47Å; W425-V513 HydrophobicContact CG-CG2 4.49Å; W425-V513 HydrophobicContact CH2-CG1 3.86Å; W425-V513 HydrophobicContact CZ2-CG1 3.67Å; W425-V513 HydrophobicContact CZ2-CG2 4.33Å; W425-V513 HydrophobicContact CZ3-CG1 4.06Å; N429-V513 PolarHBondContact ND2-O 2.87Å; S443-V513 VanDerWaalsContact CB-O 3.22Å; S443-V513 WeakPolarHBondContact CB-O 3.28Å; F446-V513 HydrophobicContact CD1-CG1 3.92Å; M510-V513 HydrophobicContact CE-CB 4.16Å; M510-V513 HydrophobicContact CE-CG1 4Å; M510-V513 HydrophobicContact CG-CB 4.48Å; M510-V513 PolarHBondContact O-N 2.99Å; M510-V513 HydrophobicContact SD-CB 3.97Å; M510-V513 HydrophobicContact SD-CG1 4.42Å; M510-V513 HydrophobicContact SD-CG2 3.95Å |
| 514 | L | 90.8 | Very high | 79.7 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -92.1 | 126.7 | -174.5 | -64.2 | 172.9 | 0 | 0 | 0 | 110.1 | L447 M510 I527 V531 W562 W573 | L447-L514 HydrophobicContact CD2-CD1 4.03Å; M510-L514 HydrophobicContact CE-CD1 4.16Å; M510-L514 HydrophobicContact CE-CG 4.11Å; M510-L514 HydrophobicContact CG-CD1 3.68Å; M510-L514 HydrophobicContact CG-CG 3.99Å; M510-L514 PolarHBondContact O-N 2.9Å; L514-I527 HydrophobicContact CB-CD1 4.23Å; L514-I527 WeakPolarHBondContact O-CD1 3.18Å; L514-V531 HydrophobicContact CD1-CG1 4.35Å; L514-V531 HydrophobicContact CD1-CG2 4.42Å; L514-W562 HydrophobicContact CB-CH2 4.44Å; L514-W562 HydrophobicContact CB-CZ3 4.1Å; L514-W562 HydrophobicContact CD1-CE3 4.34Å; L514-W562 HydrophobicContact CD2-CD2 4.25Å; L514-W562 HydrophobicContact CD2-CE3 4.25Å; L514-W562 HydrophobicContact CD2-CH2 3.89Å; L514-W562 HydrophobicContact CD2-CZ2 3.87Å; L514-W562 HydrophobicContact CD2-CZ3 4.08Å; L514-W573 HydrophobicContact CB-CZ2 3.93Å; L514-W573 HydrophobicContact CD1-CH2 3.73Å; L514-W573 HydrophobicContact CD1-CZ2 3.64Å; L514-W573 HydrophobicContact CG-CZ2 4.42Å |
| 515 | P | 88.4 | Confident | 78.9 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | trans | -76.2 | 153.3 | 174.7 | 29.3 | -30.4 | 0 | 0 | 0 | 111 | N429 R517 W562 W573 | N429-P515 HydrophobicContact CB-CB 4.37Å; N429-P515 HydrophobicContact CB-CG 4.16Å; P515-R517 HydrophobicContact CG-CG 4.07Å; P515-R517 PolarHBondContact O-N 2.9Å; P515-W562 HydrophobicContact CG-CH2 4.4Å; P515-W573 PolarHBondContact O-NE1 3.34Å | ||
| 516 | A | 83.4 | Confident | 78.4 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | trans | -78.7 | 46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | S525 I527 L601 | A516-S525 WeakPolarHBondContact CB-O 3.47Å; A516-I527 HydrophobicContact CB-CG1 4.42Å; A516-L601 HydrophobicContact CB-CD2 4.04Å | ||
| 517 | R | 83.6 | Confident | 78 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | trans | -82.8 | 135.8 | -179.7 | 63.2 | -170.2 | 174.1 | -136.7 | -1.7 | 111.6 | S443 P515 W562 L567 L570 G571 W573 | S443-R517 PolarHBondContact OG-NH2 2.98Å; P515-R517 HydrophobicContact CG-CG 4.07Å; P515-R517 PolarHBondContact O-N 2.9Å; R517-W562 HydrophobicContact CG-CH2 4.31Å; R517-L567 HydrophobicContact CB-CD1 4.09Å; R517-L567 HydrophobicContact CG-CD1 4.01Å; R517-L570 PolarHBondContact NH2-O 2.91Å; R517-G571 WeakPolarHBondContact CD-O 3.4Å; R517-G571 PolarHBondContact NE-O 2.85Å; R517-W573 PolarHBondContact O-N 3.02Å | ||
| 518 | Q | 76.3 | Confident | 77.6 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | trans | -133.2 | 162.1 | 178.5 | -52.9 | -163.5 | -88.8 | 0 | 0 | 109.8 | V520 T522 S525 W573 L601 | Q518-V520 PolarHBondContact O-N 3.43Å; Q518-T522 PolarHBondContact OE1-OG1 2.96Å; Q518-S525 PolarHBondContact OE1-OG 2.62Å; Q518-W573 HydrophobicContact CG-CB 4.29Å; Q518-L601 VanDerWaalsContact CD-CD1 3.43Å; Q518-L601 HydrophobicContact CG-CD1 3.95Å | ||
| 519 | N | 67.2 | Low | 77.5 | Confident | 122 Ų | 122 | 45.7 Ų | 45.7 | 65% | 0.652 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -63.9 | -27.1 | 175.8 | -165 | 4 | 0 | 0 | 0 | 112.7 | L566 | N519-L566 HydrophobicContact CB-CD1 4.12Å; N519-L566 HydrophobicContact CB-CD2 4.2Å; N519-L566 HydrophobicContact CB-CG 4.45Å |
| 520 | V | 60.2 | Low | 77.4 | Confident | 104 Ų | 104 | 47.1 Ų | 47.1 | 63% | 0.63 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -96.5 | 133.5 | 177.8 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | Q518 T522 | Q518-V520 PolarHBondContact O-N 3.43Å; V520-T522 PolarHBondContact O-N 3.49Å; V520-T522 PolarHBondContact O-OG1 3.1Å |
| 521 | N | 50 | Low | 77.3 | Confident | 168 Ų | 168 | 47.1 Ų | 47.1 | 90% | 0.898 | 27% | 0.269 | S | S | * | . | trans | -65.4 | 68 | 173.2 | -78 | -14 | 0 | 0 | 0 | 111.4 | ||||
| 522 | T | 52.2 | Low | 77.5 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | trans | -97.8 | 96.6 | 165.5 | 34.3 | 0 | 0 | 0 | 0 | 107.3 | Q518 V520 D524 | Q518-T522 PolarHBondContact OE1-OG1 2.96Å; V520-T522 PolarHBondContact O-N 3.49Å; V520-T522 PolarHBondContact O-OG1 3.1Å; T522-D524 PolarHBondContact O-N 2.67Å; T522-D524 VanDerWaalsContact O-N 3.13Å | ||
| 523 | S | 52.7 | Low | 77.4 | Confident | 105 Ų | 105 | 44.5 Ų | 44.5 | 73% | 0.734 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -3.9 | -172.1 | 41.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 524 | D | 63.3 | Low | 77.1 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 43% | 0.428 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | 12.3 | -166.5 | -49.8 | -37.6 | 0 | 0 | 0 | 114.4 | T522 P604 | T522-D524 PolarHBondContact O-N 2.67Å; T522-D524 VanDerWaalsContact O-N 3.13Å; D524-P604 HydrophobicContact CB-CG 4.16Å; D524-P604 WeakPolarHBondContact O-CD 3.35Å |
| 525 | S | 73 | Confident | 76.9 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | trans | -74.7 | 132.8 | 174.4 | -66.7 | 0 | 0 | 0 | 0 | 110.1 | A516 Q518 | A516-S525 WeakPolarHBondContact CB-O 3.47Å; Q518-S525 PolarHBondContact OE1-OG 2.62Å | ||
| 526 | V | 81.3 | Confident | 76.6 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140 | 175.7 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | N528 L554 L601 M602 | V526-N528 PolarHBondContact O-N 3.48Å; V526-L554 HydrophobicContact CB-CD1 4.23Å; V526-L601 WeakPolarHBondContact O-CA 3.05Å; V526-M602 PolarHBondContact N-O 2.88Å; V526-M602 PolarHBondContact O-N 2.94Å |
| 527 | I | 84.8 | Confident | 76.2 | Confident | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 114.5 | 171.5 | -59.8 | 167.1 | 0 | 0 | 0 | 107.4 | D511 L514 A516 V531 W573 S599 L601 | D511-I527 HydrophobicContact CB-CB 4.11Å; D511-I527 HydrophobicContact CB-CG2 4.13Å; L514-I527 HydrophobicContact CB-CD1 4.23Å; L514-I527 WeakPolarHBondContact O-CD1 3.18Å; A516-I527 HydrophobicContact CB-CG1 4.42Å; I527-V531 HydrophobicContact CG2-CG2 4.48Å; I527-W573 HydrophobicContact CD1-CZ2 3.66Å; I527-W573 HydrophobicContact CG1-CZ2 4.21Å; I527-S599 WeakPolarHBondContact CG2-OG 3.36Å; I527-L601 HydrophobicContact CB-CD2 4.4Å; I527-L601 HydrophobicContact CG1-CD2 3.7Å |
| 528 | N | 82.6 | Confident | 75.8 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | trans | -123.4 | 25.9 | -171.5 | -159.9 | 27.3 | 0 | 0 | 0 | 113.4 | V526 V549 L550 N551 L554 I600 M602 | V526-N528 PolarHBondContact O-N 3.48Å; N528-V549 WeakPolarHBondContact ND2-CG1 3.43Å; N528-L550 PolarHBondContact O-N 2.82Å; N528-N551 PolarHBondContact ND2-O 3.01Å; N528-N551 VanDerWaalsContact OD1-CB 3.28Å; N528-N551 WeakPolarHBondContact OD1-CB 3.41Å; N528-N551 PolarHBondContact OD1-N 3.02Å; N528-L554 HydrophobicContact CB-CD1 4.19Å; N528-I600 PolarHBondContact N-O 3.33Å; N528-I600 WeakPolarHBondContact O-CD1 3.4Å; N528-M602 HydrophobicContact CB-CB 3.75Å; N528-M602 HydrophobicContact CB-CG 3.79Å; N528-M602 HydrophobicContact CB-SD 3.98Å; N528-M602 PolarHBondContact ND2-SD 3.5Å | ||
| 529 | G | 82.9 | Confident | 75.5 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -154.1 | 169.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 530 | R | 87.8 | Confident | 75.9 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 22% | 0.219 | 29% | 0.287 | C | S | . | . | trans | -67.3 | 148.6 | 175.2 | -65.8 | -178.5 | -176.9 | -102.1 | -6.8 | 110.4 | S487 V488 L506 A508 F547 | S487-R530 VanDerWaalsContact OG-CD 3.25Å; S487-R530 WeakPolarHBondContact OG-CD 3.34Å; S487-R530 PolarHBondContact OG-NE 3.38Å; S487-R530 VanDerWaalsContact OG-NE 3.15Å; V488-R530 HydrophobicContact CG2-CB 4.1Å; L506-R530 HydrophobicContact CD1-CB 3.63Å; L506-R530 HydrophobicContact CD1-CG 4.38Å; A508-R530 VanDerWaalsContact CA-NH1 3.26Å; A508-R530 VanDerWaalsContact CB-NH1 3.28Å; R530-F547 WeakPolarHBondContact O-CD1 3.3Å; R530-F547 VanDerWaalsContact O-CE1 3.26Å; R530-F547 WeakPolarHBondContact O-CE1 3.45Å | ||
| 531 | V | 90.4 | Very high | 76.5 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.8 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | F507 M510 L514 I527 W573 F598 | F507-V531 PolarHBondContact N-O 3.01Å; M510-V531 HydrophobicContact CB-CB 3.66Å; M510-V531 HydrophobicContact CB-CG1 4.43Å; M510-V531 HydrophobicContact CB-CG2 3.58Å; M510-V531 HydrophobicContact CG-CB 3.99Å; M510-V531 HydrophobicContact CG-CG1 4.22Å; M510-V531 HydrophobicContact CG-CG2 4.01Å; L514-V531 HydrophobicContact CD1-CG1 4.35Å; L514-V531 HydrophobicContact CD1-CG2 4.42Å; I527-V531 HydrophobicContact CG2-CG2 4.48Å; V531-W573 HydrophobicContact CG1-CH2 4.31Å; V531-W573 HydrophobicContact CG2-CH2 3.96Å; V531-W573 HydrophobicContact CG2-CZ2 4.43Å; V531-F598 WeakPolarHBondContact CA-O 3.07Å |
| 532 | V | 90.6 | Very high | 77.9 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127 | 179.5 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | V488 I490 V504 I505 L506 I534 I545 F547 S597 F598 | V488-V532 HydrophobicContact CG1-CB 4.48Å; V488-V532 HydrophobicContact CG1-CG1 4.33Å; I490-V532 HydrophobicContact CD1-CG2 4.22Å; V504-V532 HydrophobicContact CG1-CG2 3.61Å; I505-V532 CarbonylContact O-C 3.56Å; I505-V532 WeakPolarHBondContact O-CA 3.2Å; L506-V532 HydrophobicContact CD1-CB 4.23Å; L506-V532 HydrophobicContact CD1-CG2 4.49Å; V532-I534 HydrophobicContact CG1-CD1 4.32Å; V532-I534 HydrophobicContact CG1-CG1 4.42Å; V532-I534 HydrophobicContact CG2-CD1 4.48Å; V532-I534 HydrophobicContact CG2-CG1 3.99Å; V532-I545 HydrophobicContact CG1-CG2 4.46Å; V532-F547 HydrophobicContact CG1-CE1 3.74Å; V532-F547 HydrophobicContact CG1-CZ 3.72Å; V532-S597 CarbonylContact O-C 3.6Å; V532-S597 WeakPolarHBondContact O-CA 3.04Å; V532-F598 HydrophobicContact CG1-CB 3.99Å; V532-F598 PolarHBondContact N-O 3.02Å; V532-F598 PolarHBondContact O-N 3.46Å |
| 533 | L | 90.5 | Very high | 79.5 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125 | 170.1 | 168.5 | 65 | 0 | 0 | 0 | 108.7 | F450 E451 V504 I505 F507 S597 | F450-L533 HydrophobicContact CB-CD2 3.96Å; E451-L533 HydrophobicContact CG-CD1 3.59Å; E451-L533 HydrophobicContact CG-CD2 3.95Å; E451-L533 HydrophobicContact CG-CG 4.45Å; V504-L533 CarbonylContact C-O 3.59Å; V504-L533 WeakPolarHBondContact CA-O 3.27Å; I505-L533 HydrophobicContact CB-CB 4.2Å; I505-L533 HydrophobicContact CD1-CD2 4.19Å; I505-L533 HydrophobicContact CG1-CD2 4.38Å; I505-L533 PolarHBondContact N-O 3.44Å; I505-L533 PolarHBondContact O-N 3.31Å; F507-L533 HydrophobicContact CE2-CB 4.39Å; L533-S597 VanDerWaalsContact CD1-OG 3.25Å; L533-S597 WeakPolarHBondContact CD1-OG 3.34Å |
| 534 | I | 87.3 | Confident | 81.1 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117 | 179.9 | -55.5 | 175.8 | 0 | 0 | 0 | 108.1 | I490 V502 V532 I543 I545 T595 T596 F598 | I490-I534 HydrophobicContact CD1-CD1 3.56Å; I490-I534 HydrophobicContact CD1-CG1 3.98Å; I490-I534 HydrophobicContact CG1-CD1 4.09Å; I490-I534 HydrophobicContact CG2-CD1 4.41Å; V502-I534 HydrophobicContact CG2-CG2 3.63Å; V532-I534 HydrophobicContact CG1-CD1 4.32Å; V532-I534 HydrophobicContact CG1-CG1 4.42Å; V532-I534 HydrophobicContact CG2-CD1 4.48Å; V532-I534 HydrophobicContact CG2-CG1 3.99Å; I534-I543 HydrophobicContact CD1-CD1 3.56Å; I534-I543 HydrophobicContact CG2-CD1 3.99Å; I534-I545 HydrophobicContact CD1-CD1 3.61Å; I534-I545 HydrophobicContact CD1-CG1 4.2Å; I534-T595 HydrophobicContact CG2-CG2 4.45Å; I534-T596 PolarHBondContact N-O 3Å; I534-T596 VanDerWaalsContact N-O 3.12Å; I534-F598 HydrophobicContact CB-CE2 4.47Å; I534-F598 HydrophobicContact CD1-CD2 3.96Å; I534-F598 HydrophobicContact CD1-CE2 4.21Å; I534-F598 HydrophobicContact CG1-CD2 4.34Å |
| 535 | Q | 85.8 | Confident | 82.2 | Confident | 52 Ų | 52 | 37.9 Ų | 37.9 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 101.8 | -178.9 | -164.7 | 165.4 | 29 | 0 | 0 | 110.8 | E451 T454 P455 A503 | E451-Q535 PolarHBondContact O-NE2 2.98Å; E451-Q535 VanDerWaalsContact O-NE2 3.1Å; E451-Q535 PolarHBondContact O-OE1 3.42Å; T454-Q535 HydrophobicContact CG2-CB 4.19Å; P455-Q535 VanDerWaalsContact CG-NE2 3.33Å; A503-Q535 PolarHBondContact N-O 3.04Å; A503-Q535 PolarHBondContact O-N 3.14Å |
| 536 | P | 82.3 | Confident | 82.9 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 160.3 | 175.2 | 37.6 | -38.6 | 0 | 0 | 0 | 111.8 | S538 I540 T595 | P536-S538 VanDerWaalsContact C-N 3.28Å; P536-S538 VanDerWaalsContact CB-O 3.23Å; P536-S538 WeakPolarHBondContact CB-O 3.25Å; P536-S538 WeakPolarHBondContact CG-O 3.48Å; P536-I540 HydrophobicContact CB-CD1 3.6Å; P536-I540 HydrophobicContact CB-CG1 3.98Å; P536-I540 HydrophobicContact CG-CD1 4.2Å; P536-I540 HydrophobicContact CG-CG1 4.22Å; P536-T595 WeakPolarHBondContact CD-OG1 3.44Å; P536-T595 HydrophobicContact CG-CG2 3.82Å; P536-T595 VanDerWaalsContact CG-OG1 3.28Å; P536-T595 WeakPolarHBondContact CG-OG1 3.28Å |
| 537 | E | 75.6 | Confident | 83.1 | Confident | 110 Ų | 110 | 33.8 Ų | 33.8 | 51% | 0.514 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -70.3 | -23.7 | 169.1 | -92.1 | 177.4 | -167.1 | 0 | 0 | 113.4 | N459 S501 | N459-E537 PolarHBondContact ND2-OE1 3Å; N459-E537 PolarHBondContact OD1-OE1 3.08Å; S501-E537 WeakPolarHBondContact CB-OE1 3.08Å; S501-E537 PolarHBondContact O-N 3.09Å; S501-E537 WeakPolarHBondContact OG-CG 2.99Å; S501-E537 PolarHBondContact OG-OE1 3.37Å |
| 538 | S | 74.3 | Confident | 83.1 | Confident | 46 Ų | 46 | 36.2 Ų | 36.2 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -138.5 | 149.5 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | Q500 P536 I540 | Q500-S538 VanDerWaalsContact CD-OG 3.3Å; Q500-S538 PolarHBondContact NE2-OG 3.44Å; P536-S538 VanDerWaalsContact C-N 3.28Å; P536-S538 VanDerWaalsContact CB-O 3.23Å; P536-S538 WeakPolarHBondContact CB-O 3.25Å; P536-S538 WeakPolarHBondContact CG-O 3.48Å; S538-I540 PolarHBondContact O-N 2.98Å |
| 539 | D | 71 | Confident | 83.2 | Confident | 146 Ų | 146 | 36.9 Ų | 36.9 | 78% | 0.781 | 20% | 0.196 | S | C | * | . | trans | -57.8 | 125.8 | -177.7 | -61 | -33 | 0 | 0 | 0 | 112 | ||||
| 540 | I | 74.9 | Confident | 83.1 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | trans | -109.1 | 119.3 | 175.6 | -60.6 | 174.6 | 0 | 0 | 0 | 108 | F476 I492 P536 S538 T595 | F476-I540 HydrophobicContact CZ-CD1 4.26Å; I492-I540 HydrophobicContact CD1-CD1 3.64Å; I492-I540 HydrophobicContact CG1-CD1 4.41Å; I492-I540 HydrophobicContact CG2-CD1 4.2Å; I492-I540 HydrophobicContact CG2-CG2 3.91Å; P536-I540 HydrophobicContact CB-CD1 3.6Å; P536-I540 HydrophobicContact CB-CG1 3.98Å; P536-I540 HydrophobicContact CG-CD1 4.2Å; P536-I540 HydrophobicContact CG-CG1 4.22Å; S538-I540 PolarHBondContact O-N 2.98Å; I540-T595 HydrophobicContact CB-CG2 3.86Å | ||
| 541 | N | 72.4 | Confident | 82.6 | Confident | 123 Ų | 123 | 41.9 Ų | 41.9 | 66% | 0.658 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -96.8 | -1 | -174.1 | -64.6 | -31.4 | 0 | 0 | 0 | 114 | N593 | N541-N593 WeakPolarHBondContact CA-O 3.18Å; N541-N593 WeakPolarHBondContact O-CA 3.47Å; N541-N593 WeakPolarHBondContact O-CB 3.33Å |
| 542 | N | 81.1 | Confident | 81.7 | Confident | 83 Ų | 83 | 49 Ų | 49 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | trans | -149.9 | 109.1 | 176.9 | -170.7 | 11.5 | 0 | 0 | 0 | 109.4 | P493 | P493-N542 WeakPolarHBondContact CD-O 3.4Š| ||
| 543 | I | 84.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.1 | 176.8 | -170.7 | 166.6 | 0 | 0 | 0 | 108.9 | I490 I492 I534 I545 S591 C592 | I490-I543 HydrophobicContact CG2-CD1 3.81Å; I490-I543 HydrophobicContact CG2-CG1 4.05Å; I492-I543 HydrophobicContact CD1-CD1 4.26Å; I492-I543 HydrophobicContact CG1-CD1 4.03Å; I492-I543 HydrophobicContact CG1-CG1 3.92Å; I534-I543 HydrophobicContact CD1-CD1 3.56Å; I534-I543 HydrophobicContact CG2-CD1 3.99Å; I543-I545 HydrophobicContact CD1-CD1 4.39Å; I543-I545 HydrophobicContact CD1-CG1 4.31Å; I543-I545 HydrophobicContact CG1-CD1 4.44Å; I543-I545 HydrophobicContact CG1-CG1 3.98Å; I543-I545 HydrophobicContact CG2-CD1 4.42Å; I543-S591 WeakPolarHBondContact O-CA 3.3Å; I543-C592 HydrophobicContact CG2-CB 3.91Å; I543-C592 PolarHBondContact N-O 3.21Å; I543-C592 PolarHBondContact O-N 3.32Å |
| 544 | S | 87 | Confident | 79.4 | Confident | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.5 | 169.1 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | D491 C590 | D491-S544 PolarHBondContact N-O 3.23Å; D491-S544 PolarHBondContact O-N 2.67Å; S544-C590 CarbonylContact C-O 3.6Å; S544-C590 VanDerWaalsContact CA-O 3.22Å; S544-C590 WeakPolarHBondContact CA-O 3.17Å; S544-C590 PolarHBondContact OG-O 3.37Å; S544-C590 VanDerWaalsContact OG-O 3.11Å |
| 545 | I | 87.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.7 | -178.7 | -47.6 | 170.3 | 0 | 0 | 0 | 107.7 | V488 E489 I490 V532 I534 I543 F547 C590 F598 | V488-I545 HydrophobicContact CG1-CG2 3.75Å; E489-I545 CarbonylContact O-C 3.35Å; E489-I545 WeakPolarHBondContact O-CA 2.95Å; I490-I545 HydrophobicContact CG1-CG2 4.23Å; V532-I545 HydrophobicContact CG1-CG2 4.46Å; I534-I545 HydrophobicContact CD1-CD1 3.61Å; I534-I545 HydrophobicContact CD1-CG1 4.2Å; I543-I545 HydrophobicContact CD1-CD1 4.39Å; I543-I545 HydrophobicContact CD1-CG1 4.31Å; I543-I545 HydrophobicContact CG1-CD1 4.44Å; I543-I545 HydrophobicContact CG1-CG1 3.98Å; I543-I545 HydrophobicContact CG2-CD1 4.42Å; I545-F547 HydrophobicContact CB-CD2 4.47Å; I545-F547 HydrophobicContact CB-CE2 3.78Å; I545-F547 HydrophobicContact CB-CZ 4.26Å; I545-F547 HydrophobicContact CG2-CD2 3.96Å; I545-F547 HydrophobicContact CG2-CE1 4.15Å; I545-F547 HydrophobicContact CG2-CE2 3.32Å; I545-F547 HydrophobicContact CG2-CZ 3.43Å; I545-F547 VanDerWaalsContact CG2-CZ 3.43Å; I545-C590 PolarHBondContact N-O 3.37Å; I545-C590 PolarHBondContact O-N 2.86Å; I545-F598 HydrophobicContact CD1-CB 4.02Å; I545-F598 HydrophobicContact CD1-CD1 4.32Å; I545-F598 HydrophobicContact CD1-CD2 3.44Å; I545-F598 VanDerWaalsContact CD1-CD2 3.44Å; I545-F598 HydrophobicContact CD1-CE2 3.95Å; I545-F598 HydrophobicContact CD1-CG 3.66Å |
| 546 | A | 87.1 | Confident | 77.8 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V488 E489 T587 V588 R589 | V488-A546 CarbonylContact C-O 3.55Å; V488-A546 WeakPolarHBondContact CA-O 2.97Å; E489-A546 HydrophobicContact CB-CB 3.86Å; E489-A546 PolarHBondContact N-O 3.2Å; E489-A546 PolarHBondContact O-N 3.24Å; A546-T587 HydrophobicContact CB-CG2 3.69Å; A546-V588 CarbonylContact C-O 3.53Å; A546-V588 WeakPolarHBondContact CA-O 3.22Å; A546-R589 HydrophobicContact CB-CG 3.6Å |
| 547 | F | 86.4 | Confident | 77.7 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.7 | 178.3 | -66.1 | -90.3 | 0 | 0 | 0 | 110.5 | V488 R530 V532 I545 T587 V588 F598 I600 | V488-F547 HydrophobicContact CG1-CD1 4.4Å; V488-F547 HydrophobicContact CG1-CE1 4.24Å; V488-F547 HydrophobicContact CG2-CD1 3.79Å; V488-F547 HydrophobicContact CG2-CE1 4.1Å; R530-F547 WeakPolarHBondContact O-CD1 3.3Å; R530-F547 VanDerWaalsContact O-CE1 3.26Å; R530-F547 WeakPolarHBondContact O-CE1 3.45Å; V532-F547 HydrophobicContact CG1-CE1 3.74Å; V532-F547 HydrophobicContact CG1-CZ 3.72Å; I545-F547 HydrophobicContact CB-CD2 4.47Å; I545-F547 HydrophobicContact CB-CE2 3.78Å; I545-F547 HydrophobicContact CB-CZ 4.26Å; I545-F547 HydrophobicContact CG2-CD2 3.96Å; I545-F547 HydrophobicContact CG2-CE1 4.15Å; I545-F547 HydrophobicContact CG2-CE2 3.32Å; I545-F547 HydrophobicContact CG2-CZ 3.43Å; I545-F547 VanDerWaalsContact CG2-CZ 3.43Å; F547-T587 CarbonylContact O-C 3.53Å; F547-T587 WeakPolarHBondContact O-CA 3.46Å; F547-V588 PolarHBondContact N-O 2.94Å; F547-V588 PolarHBondContact O-N 3.13Å; F547-F598 HydrophobicContact CZ-CB 3.98Å; F547-I600 HydrophobicContact CB-CD1 3.91Å; F547-I600 HydrophobicContact CB-CG1 4.15Å; F547-I600 HydrophobicContact CB-CG2 4.06Å; F547-I600 HydrophobicContact CD2-CG2 3.58Å; F547-I600 HydrophobicContact CE2-CG2 4.17Å; F547-I600 HydrophobicContact CG-CG1 4.47Å; F547-I600 HydrophobicContact CG-CG2 3.92Å |
| 548 | D | 84.8 | Confident | 78 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133.8 | 167.3 | -77.9 | -5.7 | 0 | 0 | 0 | 111.1 | S487 L550 T587 | S487-D548 PolarHBondContact O-N 2.88Å; D548-L550 PolarHBondContact O-N 2.89Å; D548-T587 PolarHBondContact OD1-OG1 3.25Å |
| 549 | V | 83.6 | Confident | 78.5 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | trans | -77.8 | 119.1 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | N528 N551 G586 V588 I600 M602 | N528-V549 WeakPolarHBondContact ND2-CG1 3.43Å; V549-N551 WeakPolarHBondContact CG1-O 3.42Å; V549-G586 VanDerWaalsContact CB-O 3.3Å; V549-G586 WeakPolarHBondContact CB-O 3.41Å; V549-G586 VanDerWaalsContact CG2-O 3.27Å; V549-G586 WeakPolarHBondContact CG2-O 3.23Å; V549-G586 PolarHBondContact N-O 3.37Å; V549-V588 HydrophobicContact CG2-CG2 3.66Å; V549-I600 HydrophobicContact CG2-CD1 4.25Å; V549-M602 HydrophobicContact CB-SD 4.45Å; V549-M602 HydrophobicContact CG1-CE 4.32Å; V549-M602 HydrophobicContact CG1-SD 3.67Å; V549-M602 HydrophobicContact CG2-SD 3.93Å | ||
| 550 | L | 80.8 | Confident | 79.3 | Confident | 99 Ų | 99 | 46 Ų | 46 | 52% | 0.518 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -70.1 | -38.2 | -179.7 | -62.1 | 175.7 | 0 | 0 | 0 | 112.1 | N528 D548 | N528-L550 PolarHBondContact O-N 2.82Å; D548-L550 PolarHBondContact O-N 2.89Å |
| 551 | N | 76.8 | Confident | 80 | Confident | 66 Ų | 66 | 46.5 Ų | 46.5 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | trans | -128.2 | 98.8 | 178.4 | -174.5 | -3.4 | 0 | 0 | 0 | 111.4 | N528 V549 T553 L554 | N528-N551 PolarHBondContact ND2-O 3.01Å; N528-N551 VanDerWaalsContact OD1-CB 3.28Å; N528-N551 WeakPolarHBondContact OD1-CB 3.41Å; N528-N551 PolarHBondContact OD1-N 3.02Å; V549-N551 WeakPolarHBondContact CG1-O 3.42Å; N551-T553 VanDerWaalsContact CG-OG1 3.22Å; N551-T553 PolarHBondContact ND2-OG1 3Å; N551-T553 PolarHBondContact O-N 3.49Å; N551-T553 VanDerWaalsContact O-N 3.07Å; N551-T553 VanDerWaalsContact OD1-CB 3.31Å; N551-T553 WeakPolarHBondContact OD1-CB 3.03Å; N551-T553 WeakPolarHBondContact OD1-CG2 3.38Å; N551-T553 PolarHBondContact OD1-N 3Å; N551-T553 PolarHBondContact OD1-OG1 2.03Å; N551-L554 HydrophobicContact CB-CD1 4.34Å; N551-L554 HydrophobicContact CB-CG 4.33Å; N551-L554 PolarHBondContact O-N 2.89Å | ||
| 552 | E | 72.9 | Confident | 80.9 | Confident | 153 Ų | 153 | 40.7 Ų | 40.7 | 72% | 0.715 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -8.6 | 178.6 | -61.9 | -177.7 | 178.7 | 0 | 0 | 114.1 | L554 | E552-L554 VanDerWaalsContact C-N 3.29Š|
| 553 | T | 65.4 | Low | 81.2 | Confident | 88 Ų | 88 | 38.3 Ų | 38.3 | 54% | 0.54 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -18.8 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | N551 | N551-T553 VanDerWaalsContact CG-OG1 3.22Å; N551-T553 PolarHBondContact ND2-OG1 3Å; N551-T553 PolarHBondContact O-N 3.49Å; N551-T553 VanDerWaalsContact O-N 3.07Å; N551-T553 VanDerWaalsContact OD1-CB 3.31Å; N551-T553 WeakPolarHBondContact OD1-CB 3.03Å; N551-T553 WeakPolarHBondContact OD1-CG2 3.38Å; N551-T553 PolarHBondContact OD1-N 3Å; N551-T553 PolarHBondContact OD1-OG1 2.03Å |
| 554 | L | 65.7 | Low | 81.4 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | trans | -85.3 | 151.2 | 174.6 | -52.3 | -179 | 0 | 0 | 0 | 109.7 | V526 N528 N551 E552 M602 S603 P604 | V526-L554 HydrophobicContact CB-CD1 4.23Å; N528-L554 HydrophobicContact CB-CD1 4.19Å; N551-L554 HydrophobicContact CB-CD1 4.34Å; N551-L554 HydrophobicContact CB-CG 4.33Å; N551-L554 PolarHBondContact O-N 2.89Å; E552-L554 VanDerWaalsContact C-N 3.29Å; L554-M602 HydrophobicContact CB-CB 3.74Å; L554-M602 HydrophobicContact CD1-CB 4.29Å; L554-M602 WeakPolarHBondContact O-CE 3.49Å; L554-S603 CarbonylContact C-O 3.57Å; L554-S603 WeakPolarHBondContact CA-O 3.47Å; L554-P604 HydrophobicContact CD2-CB 3.9Å | ||
| 555 | G | 68.4 | Low | 81.3 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | -168.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S603 D605 | G555-S603 PolarHBondContact N-O 2.91Å; G555-S603 PolarHBondContact O-N 2.82Å; G555-S603 VanDerWaalsContact O-O 3.06Å; G555-D605 WeakPolarHBondContact CA-O 3.08Å; G555-D605 PolarHBondContact N-O 2.52Å |
| 556 | K | 72.7 | Confident | 81.1 | Confident | 93 Ų | 93 | 45.8 Ų | 45.8 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 49 | 64.4 | -175.9 | -61 | 177.6 | -179.7 | 170.6 | 0 | 113.3 | K558 D605 | K556-K558 PolarHBondContact O-N 2.87Å; K556-D605 HydrophobicContact CD-CB 4.02Å; K556-D605 WeakPolarHBondContact CE-OD2 2.82Å; K556-D605 HydrophobicContact CG-CB 4.44Å; K556-D605 IonicContact NZ-OD2 2.73Å; K556-D605 PolarHBondContact NZ-OD2 2.98Å |
| 557 | P | 79.6 | Confident | 80.7 | Confident | 24 Ų | 24 | 49 Ų | 49 | 16% | 0.156 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 133.5 | 178.7 | 28 | -34.3 | 0 | 0 | 0 | 111.9 | F580 V588 M602 | P557-F580 HydrophobicContact CB-CD2 4.36Å; P557-F580 HydrophobicContact CB-CE2 4.34Å; P557-F580 HydrophobicContact CG-CD2 3.85Å; P557-F580 HydrophobicContact CG-CE2 3.49Å; P557-F580 VanDerWaalsContact CG-CE2 3.49Å; P557-F580 HydrophobicContact CG-CZ 4.12Å; P557-V588 HydrophobicContact CB-CB 4.47Å; P557-V588 HydrophobicContact CB-CG1 3.89Å; P557-V588 HydrophobicContact CB-CG2 3.71Å; P557-V588 HydrophobicContact CG-CG1 4.41Å; P557-V588 HydrophobicContact CG-CG2 4.01Å; P557-M602 HydrophobicContact CB-CE 4.15Å; P557-M602 HydrophobicContact CB-CG 4.13Å; P557-M602 HydrophobicContact CB-SD 4.38Å; P557-M602 HydrophobicContact CG-CE 4.49Å |
| 558 | K | 82.8 | Confident | 80.4 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.4 | 171 | -68.2 | -173.5 | 177.8 | -176.1 | 0 | 109.3 | K556 V560 I600 L601 | K556-K558 PolarHBondContact O-N 2.87Å; K558-V560 HydrophobicContact CB-CG1 4.2Å; K558-I600 WeakPolarHBondContact O-CA 3.1Å; K558-L601 HydrophobicContact CB-CB 4.42Å; K558-L601 PolarHBondContact N-O 2.8Å; K558-L601 PolarHBondContact O-N 2.95Å |
| 559 | C | 84.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.034 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 120.4 | 171 | -61.3 | 0 | 0 | 0 | 0 | 108.8 | C578 C590 | C559-C578 HydrophobicContact CB-CB 4.2Å; C559-C590 HydrophobicContact CB-CB 3.57Å; C559-C590 WeakPolarHBondContact CB-SG 3.17Å; C559-C590 WeakPolarHBondContact SG-CA 3.43Å; C559-C590 WeakPolarHBondContact SG-CB 3.46Å; C559-C590 CovalentContact SG-SG 2.02Å; C559-C590 PolarHBondContact SG-SG 3.5Å |
| 560 | V | 88 | Confident | 80 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 160.2 | -174.2 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | K558 W573 S574 D575 F598 S599 L601 | K558-V560 HydrophobicContact CB-CG1 4.2Å; V560-W573 HydrophobicContact CB-CB 4.19Å; V560-W573 HydrophobicContact CB-CE3 4.38Å; V560-W573 HydrophobicContact CG2-CB 4.09Å; V560-W573 HydrophobicContact CG2-CD2 4.09Å; V560-W573 HydrophobicContact CG2-CE3 3.71Å; V560-W573 HydrophobicContact CG2-CG 4.29Å; V560-S574 CarbonylContact C-O 3.5Å; V560-S574 WeakPolarHBondContact CA-O 3.27Å; V560-S574 WeakPolarHBondContact CB-O 3.31Å; V560-D575 HydrophobicContact CG1-CB 4.2Å; V560-F598 WeakPolarHBondContact O-CA 3.31Å; V560-S599 WeakPolarHBondContact CG2-O 3.34Å; V560-S599 PolarHBondContact N-O 2.83Å; V560-S599 PolarHBondContact O-N 3.04Å; V560-L601 HydrophobicContact CG1-CD1 4.13Å; V560-L601 HydrophobicContact CG2-CB 4.43Å; V560-L601 HydrophobicContact CG2-CD1 3.95Å; V560-L601 HydrophobicContact CG2-CG 3.81Å |
| 561 | F | 89.3 | Confident | 80.2 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 160.1 | 169.8 | 75.8 | -78.5 | 0 | 0 | 0 | 110.8 | D563 W573 S574 E576 H594 T596 S597 F598 | F561-D563 HydrophobicContact CE2-CB 3.85Å; F561-D563 HydrophobicContact CZ-CB 4.22Å; F561-D563 PolarHBondContact O-N 2.92Å; F561-W573 WeakPolarHBondContact O-CA 3.28Å; F561-S574 WeakPolarHBondContact CD1-O 3.47Å; F561-S574 PolarHBondContact N-O 2.89Å; F561-S574 PolarHBondContact O-N 2.83Å; F561-E576 HydrophobicContact CE1-CB 4.13Å; F561-E576 WeakPolarHBondContact CE1-O 3.41Å; F561-H594 AromaticContact CD1-CE1 3.41Å; F561-H594 VanDerWaalsContact CD1-CE1 3.41Å; F561-H594 WeakPolarHBondContact CD1-CE1 3.41Å; F561-H594 AromaticContact CD1-NE2 3.53Å; F561-H594 AromaticContact CD2-CE1 3.73Å; F561-H594 AromaticContact CE1-CE1 3.82Å; F561-H594 AromaticContact CE1-NE2 3.55Å; F561-H594 AromaticContact CG-CE1 3.38Å; F561-H594 WeakPolarHBondContact CG-CE1 3.21Å; F561-H594 AromaticContact CG-NE2 3.97Å; F561-H594 AromaticContact CZ-NE2 3.97Å; F561-T596 VanDerWaalsContact CB-OG1 3.29Å; F561-T596 WeakPolarHBondContact CB-OG1 3.05Å; F561-T596 HydrophobicContact CD2-CG2 4.14Å; F561-T596 WeakPolarHBondContact CD2-OG1 3.15Å; F561-S597 CarbonylContact C-O 3.37Å; F561-S597 WeakPolarHBondContact CA-O 3.3Å; F561-S597 WeakPolarHBondContact CB-O 3.02Å; F561-F598 HydrophobicContact CB-CD1 3.68Å; F561-F598 HydrophobicContact CB-CE1 3.8Å |
| 562 | W | 90.4 | Very high | 80.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 112.3 | 175.5 | -169.5 | -94.2 | 0 | 0 | 0 | 110.5 | S444 L447 L514 P515 R517 F564 W573 S597 | S444-W562 PolarHBondContact OG-NE1 2.67Å; L447-W562 HydrophobicContact CD2-CB 3.82Å; L447-W562 HydrophobicContact CD2-CD2 4.41Å; L447-W562 HydrophobicContact CD2-CG 3.71Å; L514-W562 HydrophobicContact CB-CH2 4.44Å; L514-W562 HydrophobicContact CB-CZ3 4.1Å; L514-W562 HydrophobicContact CD1-CE3 4.34Å; L514-W562 HydrophobicContact CD2-CD2 4.25Å; L514-W562 HydrophobicContact CD2-CE3 4.25Å; L514-W562 HydrophobicContact CD2-CH2 3.89Å; L514-W562 HydrophobicContact CD2-CZ2 3.87Å; L514-W562 HydrophobicContact CD2-CZ3 4.08Å; P515-W562 HydrophobicContact CG-CH2 4.4Å; R517-W562 HydrophobicContact CG-CH2 4.31Å; W562-F564 AromaticContact CD1-CD1 3.77Å; W562-F564 AromaticContact CD1-CE1 3.57Å; W562-F564 AromaticContact CD1-CZ 3.78Å; W562-F564 AromaticContact NE1-CD1 3.77Å; W562-F564 AromaticContact NE1-CE1 3.78Å; W562-W573 HydrophobicContact CB-CE3 4.26Å; W562-W573 HydrophobicContact CB-CH2 4.44Å; W562-W573 HydrophobicContact CB-CZ3 3.96Å; W562-W573 AromaticContact CE3-CD2 3.65Å; W562-W573 HydrophobicContact CE3-CD2 3.65Å; W562-W573 AromaticContact CE3-CE2 3.45Å; W562-W573 VanDerWaalsContact CE3-CE2 3.45Å; W562-W573 HydrophobicContact CE3-CE3 4.02Å; W562-W573 HydrophobicContact CE3-CG 4.12Å; W562-W573 HydrophobicContact CE3-CH2 4.03Å; W562-W573 AromaticContact CE3-CZ2 3.66Å; W562-W573 HydrophobicContact CE3-CZ2 3.66Å; W562-W573 HydrophobicContact CE3-CZ3 4.2Å; W562-W573 AromaticContact CE3-NE1 3.79Å; W562-W573 AromaticContact CZ3-CD1 3.89Å; W562-W573 HydrophobicContact CZ3-CD2 4.15Å; W562-W573 AromaticContact CZ3-CE2 3.66Å; W562-W573 HydrophobicContact CZ3-CG 4.29Å; W562-W573 HydrophobicContact CZ3-CZ2 4.04Å; W562-W573 AromaticContact CZ3-NE1 3.49Å; W562-S597 PolarHBondContact N-O 3.31Å |
| 563 | D | 88.3 | Confident | 81.4 | Confident | 33 Ų | 33 | 45 Ų | 45 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.9 | 171.9 | 179.7 | 0.4 | 0 | 0 | 0 | 109.4 | F561 N565 L566 G571 G572 | F561-D563 HydrophobicContact CE2-CB 3.85Å; F561-D563 HydrophobicContact CZ-CB 4.22Å; F561-D563 PolarHBondContact O-N 2.92Å; D563-N565 VanDerWaalsContact C-N 3.32Å; D563-N565 PolarHBondContact O-N 3.21Å; D563-N565 PolarHBondContact OD1-N 2.03Å; D563-L566 HydrophobicContact CB-CB 4.27Å; D563-G571 CarbonylContact O-C 3.56Å; D563-G571 WeakPolarHBondContact O-CA 3.26Å; D563-G572 PolarHBondContact N-O 2.76Å; D563-G572 PolarHBondContact O-N 3.41Å |
| 564 | F | 87.6 | Confident | 82.3 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23.7 | -179 | -63.9 | -84.6 | 0 | 0 | 0 | 113.9 | S444 L447 E451 W562 D569 G571 | S444-F564 WeakPolarHBondContact O-CE1 3.44Å; S444-F564 VanDerWaalsContact OG-CD1 3.27Å; S444-F564 WeakPolarHBondContact OG-CD1 3.26Å; L447-F564 HydrophobicContact CB-CE1 4.34Å; L447-F564 HydrophobicContact CB-CZ 4.45Å; L447-F564 HydrophobicContact CD2-CE1 4.48Å; L447-F564 HydrophobicContact CD2-CZ 4.15Å; L447-F564 HydrophobicContact CG-CZ 4.15Å; E451-F564 VanDerWaalsContact CD-CE2 3.5Å; E451-F564 WeakPolarHBondContact OE1-CE2 3.42Å; E451-F564 WeakPolarHBondContact OE2-CE2 3.42Å; W562-F564 AromaticContact CD1-CD1 3.77Å; W562-F564 AromaticContact CD1-CE1 3.57Å; W562-F564 AromaticContact CD1-CZ 3.78Å; W562-F564 AromaticContact NE1-CD1 3.77Å; W562-F564 AromaticContact NE1-CE1 3.78Å; F564-D569 CarbonylContact O-C 3.56Å; F564-D569 WeakPolarHBondContact O-CA 3.4Å; F564-G571 PolarHBondContact O-N 2.85Å |
| 565 | N | 85.4 | Confident | 83.2 | Confident | 120 Ų | 120 | 45 Ų | 45 | 64% | 0.642 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -6.5 | -175.5 | -53.7 | -56.6 | 0 | 0 | 0 | 112.6 | D563 | D563-N565 VanDerWaalsContact C-N 3.32Å; D563-N565 PolarHBondContact O-N 3.21Å; D563-N565 PolarHBondContact OD1-N 2.03Å |
| 566 | L | 81.9 | Confident | 84 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.6 | 147.8 | -179.9 | -153.4 | 71.6 | 0 | 0 | 0 | 111 | N519 D563 L570 G571 | N519-L566 HydrophobicContact CB-CD1 4.12Å; N519-L566 HydrophobicContact CB-CD2 4.2Å; N519-L566 HydrophobicContact CB-CG 4.45Å; D563-L566 HydrophobicContact CB-CB 4.27Å; L566-L570 PolarHBondContact O-N 3.35Å; L566-G571 WeakPolarHBondContact O-CA 3.15Å; L566-G571 PolarHBondContact O-N 3.26Å |
| 567 | L | 79.7 | Confident | 84.3 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | 56.1 | 52.6 | 175.6 | -57.9 | 167.7 | 0 | 0 | 0 | 113.3 | R517 L570 | R517-L567 HydrophobicContact CB-CD1 4.09Å; R517-L567 HydrophobicContact CG-CD1 4.01Å; L567-L570 HydrophobicContact CB-CB 4.08Å; L567-L570 HydrophobicContact CB-CD2 4.48Å; L567-L570 WeakPolarHBondContact O-CB 3.13Å; L567-L570 PolarHBondContact O-N 3.36Å |
| 568 | D | 79.6 | Confident | 84.5 | Confident | 168 Ų | 168 | 48.2 Ų | 48.2 | 90% | 0.898 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | 56.8 | 53.6 | 179.5 | -57.1 | -44.1 | 0 | 0 | 0 | 113.3 | L570 | D568-L570 PolarHBondContact O-N 2.82Å; D568-L570 VanDerWaalsContact O-N 3.11Å |
| 569 | D | 79.5 | Confident | 84.4 | Confident | 101 Ų | 101 | 47.2 Ų | 47.2 | 54% | 0.54 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | 61.7 | 13.9 | -178.9 | -56.6 | -40.5 | 0 | 0 | 0 | 115.3 | N441 F564 G571 | N441-D569 PolarHBondContact ND2-O 2.58Å; F564-D569 CarbonylContact O-C 3.56Å; F564-D569 WeakPolarHBondContact O-CA 3.4Å; D569-G571 VanDerWaalsContact C-N 3.31Å |
| 570 | L | 80.7 | Confident | 84.2 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -31 | 170.6 | -163.2 | 73.3 | 0 | 0 | 0 | 110.8 | K440 S444 R517 L566 L567 D568 | K440-L570 HydrophobicContact CB-CD1 4.03Å; K440-L570 WeakPolarHBondContact O-CD1 3.28Å; S444-L570 VanDerWaalsContact CB-O 3.28Å; S444-L570 WeakPolarHBondContact CB-O 3.38Å; S444-L570 PolarHBondContact OG-O 3.21Å; R517-L570 PolarHBondContact NH2-O 2.91Å; L566-L570 PolarHBondContact O-N 3.35Å; L567-L570 HydrophobicContact CB-CB 4.08Å; L567-L570 HydrophobicContact CB-CD2 4.48Å; L567-L570 WeakPolarHBondContact O-CB 3.13Å; L567-L570 PolarHBondContact O-N 3.36Å; D568-L570 PolarHBondContact O-N 2.82Å; D568-L570 VanDerWaalsContact O-N 3.11Å |
| 571 | G | 84.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | 83.9 | 162.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R517 D563 F564 L566 D569 | R517-G571 WeakPolarHBondContact CD-O 3.4Å; R517-G571 PolarHBondContact NE-O 2.85Å; D563-G571 CarbonylContact O-C 3.56Å; D563-G571 WeakPolarHBondContact O-CA 3.26Å; F564-G571 PolarHBondContact O-N 2.85Å; L566-G571 WeakPolarHBondContact O-CA 3.15Å; L566-G571 PolarHBondContact O-N 3.26Å; D569-G571 VanDerWaalsContact C-N 3.31Å | ||
| 572 | G | 85.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D563 | D563-G572 PolarHBondContact N-O 2.76Å; D563-G572 PolarHBondContact O-N 3.41Å |
| 573 | W | 88.8 | Confident | 82.1 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122 | -177.4 | -59.4 | 103.9 | 0 | 0 | 0 | 111.8 | L514 P515 R517 Q518 I527 V531 V560 F561 W562 L601 | L514-W573 HydrophobicContact CB-CZ2 3.93Å; L514-W573 HydrophobicContact CD1-CH2 3.73Å; L514-W573 HydrophobicContact CD1-CZ2 3.64Å; L514-W573 HydrophobicContact CG-CZ2 4.42Å; P515-W573 PolarHBondContact O-NE1 3.34Å; R517-W573 PolarHBondContact O-N 3.02Å; Q518-W573 HydrophobicContact CG-CB 4.29Å; I527-W573 HydrophobicContact CD1-CZ2 3.66Å; I527-W573 HydrophobicContact CG1-CZ2 4.21Å; V531-W573 HydrophobicContact CG1-CH2 4.31Å; V531-W573 HydrophobicContact CG2-CH2 3.96Å; V531-W573 HydrophobicContact CG2-CZ2 4.43Å; V560-W573 HydrophobicContact CB-CB 4.19Å; V560-W573 HydrophobicContact CB-CE3 4.38Å; V560-W573 HydrophobicContact CG2-CB 4.09Å; V560-W573 HydrophobicContact CG2-CD2 4.09Å; V560-W573 HydrophobicContact CG2-CE3 3.71Å; V560-W573 HydrophobicContact CG2-CG 4.29Å; F561-W573 WeakPolarHBondContact O-CA 3.28Å; W562-W573 HydrophobicContact CB-CE3 4.26Å; W562-W573 HydrophobicContact CB-CH2 4.44Å; W562-W573 HydrophobicContact CB-CZ3 3.96Å; W562-W573 AromaticContact CE3-CD2 3.65Å; W562-W573 HydrophobicContact CE3-CD2 3.65Å; W562-W573 AromaticContact CE3-CE2 3.45Å; W562-W573 VanDerWaalsContact CE3-CE2 3.45Å; W562-W573 HydrophobicContact CE3-CE3 4.02Å; W562-W573 HydrophobicContact CE3-CG 4.12Å; W562-W573 HydrophobicContact CE3-CH2 4.03Å; W562-W573 AromaticContact CE3-CZ2 3.66Å; W562-W573 HydrophobicContact CE3-CZ2 3.66Å; W562-W573 HydrophobicContact CE3-CZ3 4.2Å; W562-W573 AromaticContact CE3-NE1 3.79Å; W562-W573 AromaticContact CZ3-CD1 3.89Å; W562-W573 HydrophobicContact CZ3-CD2 4.15Å; W562-W573 AromaticContact CZ3-CE2 3.66Å; W562-W573 HydrophobicContact CZ3-CG 4.29Å; W562-W573 HydrophobicContact CZ3-CZ2 4.04Å; W562-W573 AromaticContact CZ3-NE1 3.49Å; W573-L601 HydrophobicContact CB-CD1 3.69Å; W573-L601 HydrophobicContact CG-CD1 3.92Å; W573-L601 HydrophobicContact CG-CG 4.49Å |
| 574 | S | 84.2 | Confident | 81.3 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 11% | 0.112 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.7 | 175.4 | -177 | 0 | 0 | 0 | 0 | 110.8 | V560 F561 E576 | V560-S574 CarbonylContact C-O 3.5Å; V560-S574 WeakPolarHBondContact CA-O 3.27Å; V560-S574 WeakPolarHBondContact CB-O 3.31Å; F561-S574 WeakPolarHBondContact CD1-O 3.47Å; F561-S574 PolarHBondContact N-O 2.89Å; F561-S574 PolarHBondContact O-N 2.83Å; S574-E576 WeakPolarHBondContact OG-CB 3.44Å; S574-E576 PolarHBondContact OG-N 3.31Å |
| 575 | D | 86.2 | Confident | 80.4 | Confident | 93 Ų | 93 | 71 Ų | 71 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | trans | -94.5 | 3.2 | 171.6 | 58.2 | -22.1 | 0 | 0 | 0 | 112.6 | V560 G577 C578 | V560-D575 HydrophobicContact CG1-CB 4.2Å; D575-G577 PolarHBondContact O-N 2.96Å; D575-C578 PolarHBondContact O-N 3.2Å; D575-C578 VanDerWaalsContact O-N 3.07Å; D575-C578 VanDerWaalsContact O-O 3.05Å | ||
| 576 | E | 83.4 | Confident | 79.7 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 66% | 0.659 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 125.3 | -178.4 | -170.4 | 170.3 | -171.6 | 0 | 0 | 112.2 | F561 S574 C578 H594 | F561-E576 HydrophobicContact CE1-CB 4.13Å; F561-E576 WeakPolarHBondContact CE1-O 3.41Å; S574-E576 WeakPolarHBondContact OG-CB 3.44Å; S574-E576 PolarHBondContact OG-N 3.31Å; E576-C578 PolarHBondContact O-N 2.71Å; E576-H594 PolarHBondContact O-NE2 2.8Å |
| 577 | G | 80.5 | Confident | 79.6 | Confident | 31 Ų | 31 | 67 Ų | 67 | 32% | 0.32 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -0.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D575 C592 N593 | D575-G577 PolarHBondContact O-N 2.96Å; G577-C592 CarbonylContact O-C 3.58Å; G577-C592 VanDerWaalsContact O-CA 3.3Å; G577-C592 WeakPolarHBondContact O-CA 3.24Å; G577-N593 WeakPolarHBondContact CA-OD1 3.29Å; G577-N593 PolarHBondContact O-N 2.98Å; G577-N593 PolarHBondContact O-OD1 2.92Å; G577-N593 VanDerWaalsContact O-OD1 3.13Å |
| 578 | C | 83.6 | Confident | 79.7 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 139.9 | 175.2 | -74.7 | 0 | 0 | 0 | 0 | 111.5 | C559 D575 E576 S591 C592 | C559-C578 HydrophobicContact CB-CB 4.2Å; D575-C578 PolarHBondContact O-N 3.2Å; D575-C578 VanDerWaalsContact O-N 3.07Å; D575-C578 VanDerWaalsContact O-O 3.05Å; E576-C578 PolarHBondContact O-N 2.71Å; C578-S591 CarbonylContact C-O 3.58Å; C578-S591 WeakPolarHBondContact CA-O 3.35Å; C578-C592 HydrophobicContact CB-CB 4.21Å; C578-C592 WeakPolarHBondContact CB-SG 3.17Å; C578-C592 WeakPolarHBondContact SG-CB 3.48Å; C578-C592 CovalentContact SG-SG 2.05Å; C578-C592 PolarHBondContact SG-SG 3.42Å |
| 579 | S | 81.4 | Confident | 79.9 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 139.7 | -179.5 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | C590 S591 | S579-C590 WeakPolarHBondContact O-CA 3.38Å; S579-S591 PolarHBondContact N-O 2.98Å; S579-S591 PolarHBondContact O-N 2.81Å; S579-S591 PolarHBondContact OG-O 3.47Å |
| 580 | F | 79.4 | Confident | 80.2 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.6 | 170.5 | 170.3 | -98.3 | 0 | 0 | 0 | 109.6 | P557 L582 N583 V588 | P557-F580 HydrophobicContact CB-CD2 4.36Å; P557-F580 HydrophobicContact CB-CE2 4.34Å; P557-F580 HydrophobicContact CG-CD2 3.85Å; P557-F580 HydrophobicContact CG-CE2 3.49Å; P557-F580 VanDerWaalsContact CG-CE2 3.49Å; P557-F580 HydrophobicContact CG-CZ 4.12Å; F580-L582 VanDerWaalsContact CE2-C 3.42Å; F580-L582 WeakPolarHBondContact CE2-O 3.28Å; F580-N583 HydrophobicContact CE2-CB 3.88Å; F580-N583 HydrophobicContact CZ-CB 3.73Å; F580-V588 HydrophobicContact CD2-CG1 3.95Å; F580-V588 HydrophobicContact CE2-CG1 4Å |
| 581 | V | 78.7 | Confident | 80.4 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -54.7 | 180 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | R589 | V581-R589 HydrophobicContact CB-CB 4.43Å; V581-R589 WeakPolarHBondContact CB-O 3.45Å; V581-R589 PolarHBondContact N-O 3.46Å |
| 582 | L | 76.6 | Confident | 80.3 | Confident | 71 Ų | 71 | 55 Ų | 55 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 151.1 | -170.6 | -165.3 | 70.2 | 0 | 0 | 0 | 111.7 | F580 E584 R589 | F580-L582 VanDerWaalsContact CE2-C 3.42Å; F580-L582 WeakPolarHBondContact CE2-O 3.28Å; L582-E584 HydrophobicContact CD1-CG 4.46Å; L582-E584 HydrophobicContact CD2-CB 4.47Å; L582-E584 HydrophobicContact CD2-CG 3.67Å; L582-E584 WeakPolarHBondContact CD2-OE1 3.03Å; L582-E584 HydrophobicContact CG-CG 3.87Å; L582-R589 PolarHBondContact N-O 3.04Å; L582-R589 PolarHBondContact O-N 3.12Å |
| 583 | N | 68.9 | Low | 80.2 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 111.3 | 168 | -178.3 | -2.8 | 0 | 0 | 0 | 108.1 | F580 T587 V588 | F580-N583 HydrophobicContact CE2-CB 3.88Å; F580-N583 HydrophobicContact CZ-CB 3.73Å; N583-T587 WeakPolarHBondContact CA-O 3.11Å; N583-T587 PolarHBondContact OD1-O 2.78Å; N583-V588 HydrophobicContact CB-CG2 4.35Å |
| 584 | E | 71.1 | Confident | 79.6 | Confident | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132.6 | -180 | -82.2 | -178 | 170.8 | 0 | 0 | 109.6 | L582 G586 T587 | L582-E584 HydrophobicContact CD1-CG 4.46Å; L582-E584 HydrophobicContact CD2-CB 4.47Å; L582-E584 HydrophobicContact CD2-CG 3.67Å; L582-E584 WeakPolarHBondContact CD2-OE1 3.03Å; L582-E584 HydrophobicContact CG-CG 3.87Å; E584-G586 PolarHBondContact O-N 2.72Å; E584-G586 VanDerWaalsContact O-N 3.09Å; E584-T587 PolarHBondContact N-O 3.07Å; E584-T587 PolarHBondContact O-N 3.47Å |
| 585 | N | 67.9 | Low | 78.7 | Confident | 171 Ų | 171 | 61.7 Ų | 61.7 | 91% | 0.914 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 31.4 | 173.7 | -65.2 | -16.4 | 0 | 0 | 0 | 116.3 | ||
| 586 | G | 70.9 | Confident | 77.8 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 7.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V549 E584 | V549-G586 VanDerWaalsContact CB-O 3.3Å; V549-G586 WeakPolarHBondContact CB-O 3.41Å; V549-G586 VanDerWaalsContact CG2-O 3.27Å; V549-G586 WeakPolarHBondContact CG2-O 3.23Å; V549-G586 PolarHBondContact N-O 3.37Å; E584-G586 PolarHBondContact O-N 2.72Å; E584-G586 VanDerWaalsContact O-N 3.09Å |
| 587 | T | 79.6 | Confident | 76.5 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.5 | 174.2 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | A546 F547 D548 N583 E584 | A546-T587 HydrophobicContact CB-CG2 3.69Å; F547-T587 CarbonylContact O-C 3.53Å; F547-T587 WeakPolarHBondContact O-CA 3.46Å; D548-T587 PolarHBondContact OD1-OG1 3.25Å; N583-T587 WeakPolarHBondContact CA-O 3.11Å; N583-T587 PolarHBondContact OD1-O 2.78Å; E584-T587 PolarHBondContact N-O 3.07Å; E584-T587 PolarHBondContact O-N 3.47Å |
| 588 | V | 82.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.2 | 177.6 | 169.4 | 0 | 0 | 0 | 0 | 109.4 | A546 F547 V549 P557 F580 N583 I600 | A546-V588 CarbonylContact C-O 3.53Å; A546-V588 WeakPolarHBondContact CA-O 3.22Å; F547-V588 PolarHBondContact N-O 2.94Å; F547-V588 PolarHBondContact O-N 3.13Å; V549-V588 HydrophobicContact CG2-CG2 3.66Å; P557-V588 HydrophobicContact CB-CB 4.47Å; P557-V588 HydrophobicContact CB-CG1 3.89Å; P557-V588 HydrophobicContact CB-CG2 3.71Å; P557-V588 HydrophobicContact CG-CG1 4.41Å; P557-V588 HydrophobicContact CG-CG2 4.01Å; F580-V588 HydrophobicContact CD2-CG1 3.95Å; F580-V588 HydrophobicContact CE2-CG1 4Å; N583-V588 HydrophobicContact CB-CG2 4.35Å; V588-I600 HydrophobicContact CB-CD1 4.3Å; V588-I600 HydrophobicContact CB-CG2 4.49Å; V588-I600 HydrophobicContact CG1-CG2 4Å; V588-I600 HydrophobicContact CG2-CD1 4.38Å |
| 589 | R | 84.3 | Confident | 74.3 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.1 | 173.6 | -82.5 | -170.1 | 165.3 | 111.1 | -0.5 | 112 | E489 A546 V581 L582 | E489-R589 IonicContact OE1-NH2 3.01Å; E489-R589 IonicContact OE2-CZ 2.72Å; E489-R589 IonicContact OE2-NH2 2.58Å; E489-R589 PolarHBondContact OE2-NH2 2.83Å; A546-R589 HydrophobicContact CB-CG 3.6Å; V581-R589 HydrophobicContact CB-CB 4.43Å; V581-R589 WeakPolarHBondContact CB-O 3.45Å; V581-R589 PolarHBondContact N-O 3.46Å; L582-R589 PolarHBondContact N-O 3.04Å; L582-R589 PolarHBondContact O-N 3.12Å |
| 590 | C | 85.1 | Confident | 73.3 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 147.8 | 178 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | S544 I545 C559 S579 | S544-C590 CarbonylContact C-O 3.6Å; S544-C590 VanDerWaalsContact CA-O 3.22Å; S544-C590 WeakPolarHBondContact CA-O 3.17Å; S544-C590 PolarHBondContact OG-O 3.37Å; S544-C590 VanDerWaalsContact OG-O 3.11Å; I545-C590 PolarHBondContact N-O 3.37Å; I545-C590 PolarHBondContact O-N 2.86Å; C559-C590 HydrophobicContact CB-CB 3.57Å; C559-C590 WeakPolarHBondContact CB-SG 3.17Å; C559-C590 WeakPolarHBondContact SG-CA 3.43Å; C559-C590 WeakPolarHBondContact SG-CB 3.46Å; C559-C590 CovalentContact SG-SG 2.02Å; C559-C590 PolarHBondContact SG-SG 3.5Å; S579-C590 WeakPolarHBondContact O-CA 3.38Å |
| 591 | S | 85.8 | Confident | 72.1 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.8 | 167.9 | 173.4 | 0 | 0 | 0 | 0 | 108.6 | I543 C578 S579 | I543-S591 WeakPolarHBondContact O-CA 3.3Å; C578-S591 CarbonylContact C-O 3.58Å; C578-S591 WeakPolarHBondContact CA-O 3.35Å; S579-S591 PolarHBondContact N-O 2.98Å; S579-S591 PolarHBondContact O-N 2.81Å; S579-S591 PolarHBondContact OG-O 3.47Å |
| 592 | C | 82.6 | Confident | 70.9 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 150.8 | -179.1 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | I543 G577 C578 F598 | I543-C592 HydrophobicContact CG2-CB 3.91Å; I543-C592 PolarHBondContact N-O 3.21Å; I543-C592 PolarHBondContact O-N 3.32Å; G577-C592 CarbonylContact O-C 3.58Å; G577-C592 VanDerWaalsContact O-CA 3.3Å; G577-C592 WeakPolarHBondContact O-CA 3.24Å; C578-C592 HydrophobicContact CB-CB 4.21Å; C578-C592 WeakPolarHBondContact CB-SG 3.17Å; C578-C592 WeakPolarHBondContact SG-CB 3.48Å; C578-C592 CovalentContact SG-SG 2.05Å; C578-C592 PolarHBondContact SG-SG 3.42Å; C592-F598 HydrophobicContact CB-CE1 3.84Å; C592-F598 HydrophobicContact CB-CZ 4.22Å |
| 593 | N | 82 | Confident | 69.2 | Low | 87 Ų | 87 | 36.6 Ų | 36.6 | 47% | 0.465 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -104.1 | 13.7 | -177.6 | 73.3 | -9.7 | 0 | 0 | 0 | 114.9 | N541 G577 | N541-N593 WeakPolarHBondContact CA-O 3.18Å; N541-N593 WeakPolarHBondContact O-CA 3.47Å; N541-N593 WeakPolarHBondContact O-CB 3.33Å; G577-N593 WeakPolarHBondContact CA-OD1 3.29Å; G577-N593 PolarHBondContact O-N 2.98Å; G577-N593 PolarHBondContact O-OD1 2.92Å; G577-N593 VanDerWaalsContact O-OD1 3.13Å |
| 594 | H | 77.4 | Confident | 67.9 | Low | 41 Ų | 41 | 36.8 Ų | 36.8 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -146.5 | 175.8 | 178.1 | 57.4 | 73.5 | 0 | 0 | 0 | 109.5 | F561 E576 T596 F598 | F561-H594 AromaticContact CD1-CE1 3.41Å; F561-H594 VanDerWaalsContact CD1-CE1 3.41Å; F561-H594 WeakPolarHBondContact CD1-CE1 3.41Å; F561-H594 AromaticContact CD1-NE2 3.53Å; F561-H594 AromaticContact CD2-CE1 3.73Å; F561-H594 AromaticContact CE1-CE1 3.82Å; F561-H594 AromaticContact CE1-NE2 3.55Å; F561-H594 AromaticContact CG-CE1 3.38Å; F561-H594 WeakPolarHBondContact CG-CE1 3.21Å; F561-H594 AromaticContact CG-NE2 3.97Å; F561-H594 AromaticContact CZ-NE2 3.97Å; E576-H594 PolarHBondContact O-NE2 2.8Å; H594-T596 PolarHBondContact CE1-OG1 3.11Å; H594-T596 PolarHBondContact ND1-OG1 3.27Å; H594-F598 AromaticContact CE1-CE1 3.61Å; H594-F598 AromaticContact ND1-CE1 3.75Å; H594-F598 AromaticContact ND1-CZ 3.68Å; H594-F598 VanDerWaalsContact O-CZ 3.26Å; H594-F598 WeakPolarHBondContact O-CZ 3.29Å |
| 595 | T | 65.3 | Low | 67 | Low | 30 Ų | 30 | 33.4 Ų | 33.4 | 18% | 0.184 | 19% | 0.187 | C | C | . | . | trans | -124.2 | 118.2 | 175.2 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | I534 P536 I540 | I534-T595 HydrophobicContact CG2-CG2 4.45Å; P536-T595 WeakPolarHBondContact CD-OG1 3.44Å; P536-T595 HydrophobicContact CG-CG2 3.82Å; P536-T595 VanDerWaalsContact CG-OG1 3.28Å; P536-T595 WeakPolarHBondContact CG-OG1 3.28Å; I540-T595 HydrophobicContact CB-CG2 3.86Å | ||
| 596 | T | 66.8 | Low | 65.9 | Low | 32 Ų | 32 | 29.3 Ų | 29.3 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -151.1 | -154 | -177.1 | 54 | 0 | 0 | 0 | 0 | 109.2 | I534 F561 H594 F598 | I534-T596 PolarHBondContact N-O 3Å; I534-T596 VanDerWaalsContact N-O 3.12Å; F561-T596 VanDerWaalsContact CB-OG1 3.29Å; F561-T596 WeakPolarHBondContact CB-OG1 3.05Å; F561-T596 HydrophobicContact CD2-CG2 4.14Å; F561-T596 WeakPolarHBondContact CD2-OG1 3.15Å; H594-T596 PolarHBondContact CE1-OG1 3.11Å; H594-T596 PolarHBondContact ND1-OG1 3.27Å; T596-F598 VanDerWaalsContact N-CE2 3.29Å; T596-F598 WeakPolarHBondContact O-CD2 3.36Å; T596-F598 WeakPolarHBondContact O-CE2 3.38Å; T596-F598 WeakPolarHBondContact OG1-CE1 3.48Å; T596-F598 WeakPolarHBondContact OG1-CZ 3.04Å |
| 597 | S | 56 | Low | 64.7 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.7 | 169.8 | -62 | 0 | 0 | 0 | 0 | 111.2 | E451 V532 L533 F561 W562 | E451-S597 PolarHBondContact OE1-OG 3.18Å; V532-S597 CarbonylContact O-C 3.6Å; V532-S597 WeakPolarHBondContact O-CA 3.04Å; L533-S597 VanDerWaalsContact CD1-OG 3.25Å; L533-S597 WeakPolarHBondContact CD1-OG 3.34Å; F561-S597 CarbonylContact C-O 3.37Å; F561-S597 WeakPolarHBondContact CA-O 3.3Å; F561-S597 WeakPolarHBondContact CB-O 3.02Å; W562-S597 PolarHBondContact N-O 3.31Å |
| 598 | F | 60.4 | Low | 63.3 | Low | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 152.6 | -173.5 | -59.6 | -75.3 | 0 | 0 | 0 | 113.5 | V531 V532 I534 I545 F547 V560 F561 C592 H594 T596 | V531-F598 WeakPolarHBondContact CA-O 3.07Å; V532-F598 HydrophobicContact CG1-CB 3.99Å; V532-F598 PolarHBondContact N-O 3.02Å; V532-F598 PolarHBondContact O-N 3.46Å; I534-F598 HydrophobicContact CB-CE2 4.47Å; I534-F598 HydrophobicContact CD1-CD2 3.96Å; I534-F598 HydrophobicContact CD1-CE2 4.21Å; I534-F598 HydrophobicContact CG1-CD2 4.34Å; I545-F598 HydrophobicContact CD1-CB 4.02Å; I545-F598 HydrophobicContact CD1-CD1 4.32Å; I545-F598 HydrophobicContact CD1-CD2 3.44Å; I545-F598 VanDerWaalsContact CD1-CD2 3.44Å; I545-F598 HydrophobicContact CD1-CE2 3.95Å; I545-F598 HydrophobicContact CD1-CG 3.66Å; F547-F598 HydrophobicContact CZ-CB 3.98Å; V560-F598 WeakPolarHBondContact O-CA 3.31Å; F561-F598 HydrophobicContact CB-CD1 3.68Å; F561-F598 HydrophobicContact CB-CE1 3.8Å; C592-F598 HydrophobicContact CB-CE1 3.84Å; C592-F598 HydrophobicContact CB-CZ 4.22Å; H594-F598 AromaticContact CE1-CE1 3.61Å; H594-F598 AromaticContact ND1-CE1 3.75Å; H594-F598 AromaticContact ND1-CZ 3.68Å; H594-F598 VanDerWaalsContact O-CZ 3.26Å; H594-F598 WeakPolarHBondContact O-CZ 3.29Å; T596-F598 VanDerWaalsContact N-CE2 3.29Å; T596-F598 WeakPolarHBondContact O-CD2 3.36Å; T596-F598 WeakPolarHBondContact O-CE2 3.38Å; T596-F598 WeakPolarHBondContact OG1-CE1 3.48Å; T596-F598 WeakPolarHBondContact OG1-CZ 3.04Å |
| 599 | S | 58.8 | Low | 62 | Low | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 178 | 168.9 | -165 | 0 | 0 | 0 | 0 | 111.4 | I527 V560 | I527-S599 WeakPolarHBondContact CG2-OG 3.36Å; V560-S599 WeakPolarHBondContact CG2-O 3.34Å; V560-S599 PolarHBondContact N-O 2.83Å; V560-S599 PolarHBondContact O-N 3.04Å |
| 600 | I | 60 | Low | 60.7 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.5 | 169.8 | 57.1 | 165.4 | 0 | 0 | 0 | 110.9 | N528 F547 V549 K558 V588 M602 | N528-I600 PolarHBondContact N-O 3.33Å; N528-I600 WeakPolarHBondContact O-CD1 3.4Å; F547-I600 HydrophobicContact CB-CD1 3.91Å; F547-I600 HydrophobicContact CB-CG1 4.15Å; F547-I600 HydrophobicContact CB-CG2 4.06Å; F547-I600 HydrophobicContact CD2-CG2 3.58Å; F547-I600 HydrophobicContact CE2-CG2 4.17Å; F547-I600 HydrophobicContact CG-CG1 4.47Å; F547-I600 HydrophobicContact CG-CG2 3.92Å; V549-I600 HydrophobicContact CG2-CD1 4.25Å; K558-I600 WeakPolarHBondContact O-CA 3.1Å; V588-I600 HydrophobicContact CB-CD1 4.3Å; V588-I600 HydrophobicContact CB-CG2 4.49Å; V588-I600 HydrophobicContact CG1-CG2 4Å; V588-I600 HydrophobicContact CG2-CD1 4.38Å; I600-M602 HydrophobicContact CD1-SD 4.36Å |
| 601 | L | 54 | Low | 59.3 | Low | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.2 | 167.4 | -72.8 | 172.4 | 0 | 0 | 0 | 109.1 | A516 Q518 V526 I527 K558 V560 W573 | A516-L601 HydrophobicContact CB-CD2 4.04Å; Q518-L601 VanDerWaalsContact CD-CD1 3.43Å; Q518-L601 HydrophobicContact CG-CD1 3.95Å; V526-L601 WeakPolarHBondContact O-CA 3.05Å; I527-L601 HydrophobicContact CB-CD2 4.4Å; I527-L601 HydrophobicContact CG1-CD2 3.7Å; K558-L601 HydrophobicContact CB-CB 4.42Å; K558-L601 PolarHBondContact N-O 2.8Å; K558-L601 PolarHBondContact O-N 2.95Å; V560-L601 HydrophobicContact CG1-CD1 4.13Å; V560-L601 HydrophobicContact CG2-CB 4.43Å; V560-L601 HydrophobicContact CG2-CD1 3.95Å; V560-L601 HydrophobicContact CG2-CG 3.81Å; W573-L601 HydrophobicContact CB-CD1 3.69Å; W573-L601 HydrophobicContact CG-CD1 3.92Å; W573-L601 HydrophobicContact CG-CG 4.49Å |
| 602 | M | 52.1 | Low | 57.8 | Low | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 152.2 | 172.8 | -63.7 | -172.3 | 76 | 0 | 0 | 109.8 | V526 N528 V549 L554 P557 I600 | V526-M602 PolarHBondContact N-O 2.88Å; V526-M602 PolarHBondContact O-N 2.94Å; N528-M602 HydrophobicContact CB-CB 3.75Å; N528-M602 HydrophobicContact CB-CG 3.79Å; N528-M602 HydrophobicContact CB-SD 3.98Å; N528-M602 PolarHBondContact ND2-SD 3.5Å; V549-M602 HydrophobicContact CB-SD 4.45Å; V549-M602 HydrophobicContact CG1-CE 4.32Å; V549-M602 HydrophobicContact CG1-SD 3.67Å; V549-M602 HydrophobicContact CG2-SD 3.93Å; L554-M602 HydrophobicContact CB-CB 3.74Å; L554-M602 HydrophobicContact CD1-CB 4.29Å; L554-M602 WeakPolarHBondContact O-CE 3.49Å; P557-M602 HydrophobicContact CB-CE 4.15Å; P557-M602 HydrophobicContact CB-CG 4.13Å; P557-M602 HydrophobicContact CB-SD 4.38Å; P557-M602 HydrophobicContact CG-CE 4.49Å; I600-M602 HydrophobicContact CD1-SD 4.36Å |
| 603 | S | 42.6 | Very low | 56.9 | Low | 23 Ų | 23 | 46.7 Ų | 46.7 | 16% | 0.161 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 149.8 | -179.9 | 174.9 | 0 | 0 | 0 | 0 | 109.1 | L554 G555 D605 | L554-S603 CarbonylContact C-O 3.57Å; L554-S603 WeakPolarHBondContact CA-O 3.47Å; G555-S603 PolarHBondContact N-O 2.91Å; G555-S603 PolarHBondContact O-N 2.82Å; G555-S603 VanDerWaalsContact O-O 3.06Å; S603-D605 PolarHBondContact O-N 2.92Å |
| 604 | P | 40.5 | Very low | 56.1 | Low | 76 Ų | 76 | 49.4 Ų | 49.4 | 49% | 0.494 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -61.8 | 7.2 | 178.2 | 22.3 | -32.1 | 0 | 0 | 0 | 116.1 | D524 L554 | D524-P604 HydrophobicContact CB-CG 4.16Å; D524-P604 WeakPolarHBondContact O-CD 3.35Å; L554-P604 HydrophobicContact CD2-CB 3.9Å |
| 605 | D | 53.6 | Low | 55.4 | Low | 41 Ų | 41 | 49.4 Ų | 49.4 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -75.7 | 128.5 | 175.4 | -77.9 | -30.5 | 0 | 0 | 0 | 113.2 | G555 K556 S603 | G555-D605 WeakPolarHBondContact CA-O 3.08Å; G555-D605 PolarHBondContact N-O 2.52Å; K556-D605 HydrophobicContact CD-CB 4.02Å; K556-D605 WeakPolarHBondContact CE-OD2 2.82Å; K556-D605 HydrophobicContact CG-CB 4.44Å; K556-D605 IonicContact NZ-OD2 2.73Å; K556-D605 PolarHBondContact NZ-OD2 2.98Å; S603-D605 PolarHBondContact O-N 2.92Å |
| 606 | S | 44.3 | Very low | 55.5 | Low | 85 Ų | 85 | 49.7 Ų | 49.7 | 59% | 0.594 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 142.4 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 112.7 | Q608 | S606-Q608 PolarHBondContact O-N 3.15Š|
| 607 | P | 44.4 | Very low | 55.8 | Low | 95 Ų | 95 | 53.9 Ų | 53.9 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 125.4 | 172.3 | 20.9 | -30.7 | 0 | 0 | 0 | 110.5 | D609 | P607-D609 PolarHBondContact O-N 2.88Š|
| 608 | Q | 50.7 | Low | 56.8 | Low | 142 Ų | 142 | 58.2 Ų | 58.2 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 122.6 | 173.6 | -71.3 | 178.2 | -6.5 | 0 | 0 | 108.6 | S606 P610 | S606-Q608 PolarHBondContact O-N 3.15Å; Q608-P610 VanDerWaalsContact O-CD 3.24Å; Q608-P610 WeakPolarHBondContact O-CD 3.35Å |
| 609 | D | 55.2 | Low | 57.4 | Low | 38 Ų | 38 | 58.6 Ų | 58.6 | 20% | 0.203 | 32% | 0.321 | C | S | . | . | trans | -93.5 | 103.2 | 173.3 | -173.9 | -11.5 | 0 | 0 | 0 | 108.9 | P607 V611 L612 D613 R845 | P607-D609 PolarHBondContact O-N 2.88Å; D609-V611 PolarHBondContact O-N 2.84Å; D609-V611 VanDerWaalsContact OD1-CB 3.28Å; D609-V611 WeakPolarHBondContact OD1-CB 3.21Å; D609-V611 PolarHBondContact OD1-N 3.39Å; D609-L612 HydrophobicContact CB-CB 4.11Å; D609-L612 WeakPolarHBondContact O-CB 3.48Å; D609-L612 PolarHBondContact O-N 3.46Å; D609-D613 PolarHBondContact O-N 3.29Å; D609-R845 VanDerWaalsContact CG-NH2 3.34Å; D609-R845 IonicContact OD1-CZ 3.68Å; D609-R845 IonicContact OD1-NH2 2.69Å; D609-R845 PolarHBondContact OD1-NH2 3.18Å; D609-R845 IonicContact OD2-CZ 3.12Å; D609-R845 IonicContact OD2-NE 2.77Å; D609-R845 PolarHBondContact OD2-NE 3.01Å; D609-R845 IonicContact OD2-NH2 2.66Å; D609-R845 PolarHBondContact OD2-NH2 3.37Å | ||
| 610 | P | 57.3 | Low | 58.3 | Low | 99 Ų | 99 | 59.4 Ų | 59.4 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.2 | -21.6 | -177.3 | 22.4 | -32.4 | 0 | 0 | 0 | 113 | Q608 F614 | Q608-P610 VanDerWaalsContact O-CD 3.24Å; Q608-P610 WeakPolarHBondContact O-CD 3.35Å; P610-F614 WeakPolarHBondContact O-CB 3.47Å; P610-F614 PolarHBondContact O-N 2.85Å; P610-F614 VanDerWaalsContact O-N 3.13Å |
| 611 | V | 54.4 | Low | 59.4 | Low | 68 Ų | 68 | 61.4 Ų | 61.4 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.7 | -37.2 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | D609 I615 | D609-V611 PolarHBondContact O-N 2.84Å; D609-V611 VanDerWaalsContact OD1-CB 3.28Å; D609-V611 WeakPolarHBondContact OD1-CB 3.21Å; D609-V611 PolarHBondContact OD1-N 3.39Å; V611-I615 HydrophobicContact CG1-CD1 3.92Å; V611-I615 WeakPolarHBondContact O-CD1 3.36Å; V611-I615 VanDerWaalsContact O-CG1 3.24Å; V611-I615 WeakPolarHBondContact O-CG1 3.32Å; V611-I615 PolarHBondContact O-N 3.48Å |
| 612 | L | 55.7 | Low | 60.8 | Low | 41 Ų | 41 | 65.9 Ų | 65.9 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.9 | -37.7 | -180 | -169.7 | 62.8 | 0 | 0 | 0 | 111.2 | D609 I615 T616 H848 A852 | D609-L612 HydrophobicContact CB-CB 4.11Å; D609-L612 WeakPolarHBondContact O-CB 3.48Å; D609-L612 PolarHBondContact O-N 3.46Å; L612-I615 PolarHBondContact O-N 2.93Å; L612-T616 VanDerWaalsContact O-CB 3.27Å; L612-T616 WeakPolarHBondContact O-CB 3.3Å; L612-T616 PolarHBondContact O-N 2.65Å; L612-T616 PolarHBondContact O-OG1 3.11Å; L612-H848 HydrophobicContact CD1-CB 4.37Å; L612-H848 HydrophobicContact CD2-CB 4.2Å; L612-A852 HydrophobicContact CD1-CB 3.75Å |
| 613 | D | 62.5 | Low | 62.4 | Low | 74 Ų | 74 | 65.9 Ų | 65.9 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 174.6 | -69 | -19.3 | 0 | 0 | 0 | 110.9 | D609 I615 T616 Y617 | D609-D613 PolarHBondContact O-N 3.29Å; D613-I615 PolarHBondContact O-N 3.25Å; D613-T616 PolarHBondContact O-N 2.68Å; D613-Y617 HydrophobicContact CB-CD2 4.35Å; D613-Y617 HydrophobicContact CB-CE2 4.32Å; D613-Y617 WeakPolarHBondContact O-CD2 3.47Å; D613-Y617 PolarHBondContact O-N 2.58Å |
| 614 | F | 65.9 | Low | 64.6 | Low | 144 Ų | 144 | 67 Ų | 67 | 63% | 0.632 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.2 | -44.9 | 177.5 | -169.9 | -95.3 | 0 | 0 | 0 | 112.5 | P610 T616 I618 | P610-F614 WeakPolarHBondContact O-CB 3.47Å; P610-F614 PolarHBondContact O-N 2.85Å; P610-F614 VanDerWaalsContact O-N 3.13Å; F614-T616 VanDerWaalsContact C-N 3.33Å; F614-T616 PolarHBondContact O-N 2.76Å; F614-I618 HydrophobicContact CD1-CG1 4.43Å; F614-I618 HydrophobicContact CE1-CG1 4.14Å; F614-I618 HydrophobicContact CE2-CG1 4.23Å; F614-I618 HydrophobicContact CZ-CG1 4.03Å; F614-I618 WeakPolarHBondContact O-CB 3.22Å; F614-I618 WeakPolarHBondContact O-CG1 3.21Å; F614-I618 PolarHBondContact O-N 2.83Å |
| 615 | I | 63.5 | Low | 66.8 | Low | 41 Ų | 41 | 65.2 Ų | 65.2 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 176.6 | -69.7 | 168.9 | 0 | 0 | 0 | 110.8 | V611 L612 D613 G619 I849 A852 | V611-I615 HydrophobicContact CG1-CD1 3.92Å; V611-I615 WeakPolarHBondContact O-CD1 3.36Å; V611-I615 VanDerWaalsContact O-CG1 3.24Å; V611-I615 WeakPolarHBondContact O-CG1 3.32Å; V611-I615 PolarHBondContact O-N 3.48Å; L612-I615 PolarHBondContact O-N 2.93Å; D613-I615 PolarHBondContact O-N 3.25Å; I615-G619 WeakPolarHBondContact O-CA 3.16Å; I615-G619 PolarHBondContact O-N 3.5Å; I615-I849 HydrophobicContact CD1-CG2 4.28Å; I615-A852 HydrophobicContact CG2-CB 4.12Å |
| 616 | T | 66.3 | Low | 68.5 | Low | 35 Ų | 35 | 63.9 Ų | 63.9 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.6 | -48.2 | -177 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | L612 D613 F614 G619 I620 F668 | L612-T616 VanDerWaalsContact O-CB 3.27Å; L612-T616 WeakPolarHBondContact O-CB 3.3Å; L612-T616 PolarHBondContact O-N 2.65Å; L612-T616 PolarHBondContact O-OG1 3.11Å; D613-T616 PolarHBondContact O-N 2.68Å; F614-T616 VanDerWaalsContact C-N 3.33Å; F614-T616 PolarHBondContact O-N 2.76Å; T616-G619 PolarHBondContact O-N 3Å; T616-I620 HydrophobicContact CG2-CD1 3.63Å; T616-I620 HydrophobicContact CG2-CG1 4.44Å; T616-I620 WeakPolarHBondContact O-CB 3.31Å; T616-I620 WeakPolarHBondContact O-CD1 3.08Å; T616-I620 WeakPolarHBondContact O-CG1 3.2Å; T616-I620 PolarHBondContact O-N 2.9Å; T616-F668 HydrophobicContact CG2-CE1 4.29Å |
| 617 | Y | 72.8 | Confident | 70.6 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.8 | -47.5 | -178 | -76.2 | -67.4 | 0 | 0 | 0 | 113.6 | D613 G619 G621 I669 | D613-Y617 HydrophobicContact CB-CD2 4.35Å; D613-Y617 HydrophobicContact CB-CE2 4.32Å; D613-Y617 WeakPolarHBondContact O-CD2 3.47Å; D613-Y617 PolarHBondContact O-N 2.58Å; Y617-G619 VanDerWaalsContact C-N 3.3Å; Y617-G619 PolarHBondContact O-N 3.09Å; Y617-G621 PolarHBondContact O-N 3.01Å; Y617-I669 HydrophobicContact CD1-CD1 3.73Å; Y617-I669 HydrophobicContact CE1-CD1 3.83Å |
| 618 | I | 77.1 | Confident | 72.9 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 177.2 | -63.7 | -63.5 | 0 | 0 | 0 | 110.2 | F614 G621 I622 | F614-I618 HydrophobicContact CD1-CG1 4.43Å; F614-I618 HydrophobicContact CE1-CG1 4.14Å; F614-I618 HydrophobicContact CE2-CG1 4.23Å; F614-I618 HydrophobicContact CZ-CG1 4.03Å; F614-I618 WeakPolarHBondContact O-CB 3.22Å; F614-I618 WeakPolarHBondContact O-CG1 3.21Å; F614-I618 PolarHBondContact O-N 2.83Å; I618-G621 PolarHBondContact O-N 3.26Å; I618-I622 HydrophobicContact CG2-CD1 4.05Å; I618-I622 WeakPolarHBondContact O-CG1 3.12Å; I618-I622 PolarHBondContact O-N 3.49Å |
| 619 | G | 72.8 | Confident | 74.7 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | I615 T616 Y617 G621 I622 S623 | I615-G619 WeakPolarHBondContact O-CA 3.16Å; I615-G619 PolarHBondContact O-N 3.5Å; T616-G619 PolarHBondContact O-N 3Å; Y617-G619 VanDerWaalsContact C-N 3.3Å; Y617-G619 PolarHBondContact O-N 3.09Å; G619-G621 VanDerWaalsContact C-N 3.3Å; G619-G621 PolarHBondContact O-N 2.87Å; G619-I622 PolarHBondContact O-N 3.42Å; G619-S623 PolarHBondContact O-N 3.36Å |
| 620 | I | 77.9 | Confident | 76.3 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.4 | -69.1 | 168.6 | 0 | 0 | 0 | 110.4 | T616 I622 S623 M624 D665 F668 I669 | T616-I620 HydrophobicContact CG2-CD1 3.63Å; T616-I620 HydrophobicContact CG2-CG1 4.44Å; T616-I620 WeakPolarHBondContact O-CB 3.31Å; T616-I620 WeakPolarHBondContact O-CD1 3.08Å; T616-I620 WeakPolarHBondContact O-CG1 3.2Å; T616-I620 PolarHBondContact O-N 2.9Å; I620-I622 PolarHBondContact O-N 3.06Å; I620-S623 WeakPolarHBondContact O-CB 3.13Å; I620-S623 PolarHBondContact O-N 3.29Å; I620-M624 HydrophobicContact CG2-CG 4.23Å; I620-M624 HydrophobicContact CG2-SD 3.95Å; I620-M624 WeakPolarHBondContact O-CG 3.31Å; I620-M624 PolarHBondContact O-N 2.75Å; I620-D665 HydrophobicContact CG2-CB 4.1Å; I620-F668 HydrophobicContact CD1-CD1 3.57Å; I620-F668 HydrophobicContact CD1-CE1 3.56Å; I620-I669 HydrophobicContact CD1-CD1 4.5Å; I620-I669 HydrophobicContact CG2-CD1 4.13Å; I620-I669 HydrophobicContact CG2-CG1 4.16Å |
| 621 | G | 82.8 | Confident | 77.9 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.2 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y617 I618 G619 G625 | Y617-G621 PolarHBondContact O-N 3.01Å; I618-G621 PolarHBondContact O-N 3.26Å; G619-G621 VanDerWaalsContact C-N 3.3Å; G619-G621 PolarHBondContact O-N 2.87Å; G621-G625 PolarHBondContact O-N 3.04Å; G621-G625 VanDerWaalsContact O-N 3.07Å |
| 622 | I | 83.5 | Confident | 79.5 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 176 | -66.1 | 169 | 0 | 0 | 0 | 111.2 | I618 G619 I620 S626 | I618-I622 HydrophobicContact CG2-CD1 4.05Å; I618-I622 WeakPolarHBondContact O-CG1 3.12Å; I618-I622 PolarHBondContact O-N 3.49Å; G619-I622 PolarHBondContact O-N 3.42Å; I620-I622 PolarHBondContact O-N 3.06Å; I622-S626 WeakPolarHBondContact O-CB 3.17Å; I622-S626 PolarHBondContact O-N 2.76Å; I622-S626 PolarHBondContact O-OG 2.88Å |
| 623 | S | 86 | Confident | 80.9 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.1 | -53.3 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | G619 I620 G625 S626 L627 D665 G859 | G619-S623 PolarHBondContact O-N 3.36Å; I620-S623 WeakPolarHBondContact O-CB 3.13Å; I620-S623 PolarHBondContact O-N 3.29Å; S623-G625 PolarHBondContact O-N 3.21Å; S623-S626 WeakPolarHBondContact O-CB 3.38Å; S623-S626 PolarHBondContact O-N 3.31Å; S623-S626 VanDerWaalsContact O-N 3.11Å; S623-L627 WeakPolarHBondContact O-CG 3.21Å; S623-L627 PolarHBondContact O-N 3.43Å; S623-D665 PolarHBondContact OG-OD2 2.88Å; S623-G859 WeakPolarHBondContact OG-CA 3.18Å; S623-G859 PolarHBondContact OG-N 3.04Å |
| 624 | M | 88.5 | Confident | 82 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 23% | 0.232 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 179.5 | -71.2 | 177.3 | 61.9 | 0 | 0 | 112.1 | I620 S626 L627 V628 L662 D665 I666 | I620-M624 HydrophobicContact CG2-CG 4.23Å; I620-M624 HydrophobicContact CG2-SD 3.95Å; I620-M624 WeakPolarHBondContact O-CG 3.31Å; I620-M624 PolarHBondContact O-N 2.75Å; M624-S626 VanDerWaalsContact C-N 3.28Å; M624-S626 PolarHBondContact O-N 3.24Å; M624-L627 PolarHBondContact O-N 3.5Å; M624-V628 WeakPolarHBondContact O-CG2 3.49Å; M624-V628 PolarHBondContact O-N 2.88Å; M624-L662 HydrophobicContact CB-CD1 4.14Å; M624-L662 HydrophobicContact CE-CD1 4.32Å; M624-L662 HydrophobicContact CG-CD1 4.15Å; M624-D665 HydrophobicContact CG-CB 3.73Å; M624-D665 HydrophobicContact SD-CB 4.09Å; M624-I666 HydrophobicContact CE-CD1 4.39Å; M624-I666 HydrophobicContact CE-CG1 3.51Å |
| 625 | G | 88 | Confident | 82.9 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G621 S623 V628 V629 | G621-G625 PolarHBondContact O-N 3.04Å; G621-G625 VanDerWaalsContact O-N 3.07Å; S623-G625 PolarHBondContact O-N 3.21Å; G625-V628 PolarHBondContact O-N 3.42Å; G625-V629 WeakPolarHBondContact O-CG2 3.1Å; G625-V629 PolarHBondContact O-N 3.46Å; G625-V629 VanDerWaalsContact O-N 3.14Å |
| 626 | S | 88.3 | Confident | 83.9 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | I622 S623 M624 V629 C630 | I622-S626 WeakPolarHBondContact O-CB 3.17Å; I622-S626 PolarHBondContact O-N 2.76Å; I622-S626 PolarHBondContact O-OG 2.88Å; S623-S626 WeakPolarHBondContact O-CB 3.38Å; S623-S626 PolarHBondContact O-N 3.31Å; S623-S626 VanDerWaalsContact O-N 3.11Å; M624-S626 VanDerWaalsContact C-N 3.28Å; M624-S626 PolarHBondContact O-N 3.24Å; S626-V629 PolarHBondContact O-N 2.84Å; S626-C630 WeakPolarHBondContact O-CB 3.23Å; S626-C630 PolarHBondContact O-N 3.34Å |
| 627 | L | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 177.6 | -69.1 | 170 | 0 | 0 | 0 | 112.2 | S623 M624 C630 L631 A658 L661 L662 I862 | S623-L627 WeakPolarHBondContact O-CG 3.21Å; S623-L627 PolarHBondContact O-N 3.43Å; M624-L627 PolarHBondContact O-N 3.5Å; L627-C630 VanDerWaalsContact O-CB 3.29Å; L627-C630 WeakPolarHBondContact O-CB 3.22Å; L627-C630 PolarHBondContact O-N 3.5Å; L627-L631 WeakPolarHBondContact O-CG 3.3Å; L627-L631 PolarHBondContact O-N 3.07Å; L627-A658 HydrophobicContact CD2-CB 3.93Å; L627-L661 HydrophobicContact CD1-CB 4.09Å; L627-L661 HydrophobicContact CD1-CD2 3.84Å; L627-L661 HydrophobicContact CD1-CG 3.72Å; L627-L661 HydrophobicContact CD2-CD2 4.34Å; L627-L662 HydrophobicContact CB-CB 4.49Å; L627-L662 HydrophobicContact CD1-CB 4.27Å; L627-I862 HydrophobicContact CD2-CB 4.43Å; L627-I862 HydrophobicContact CD2-CD1 4.25Å; L627-I862 HydrophobicContact CD2-CG2 4.29Å |
| 628 | V | 91.8 | Very high | 85.1 | Confident | 65 Ų | 65 | 40.5 Ų | 40.5 | 39% | 0.394 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.7 | -47 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | M624 G625 C630 L631 I632 L662 | M624-V628 WeakPolarHBondContact O-CG2 3.49Å; M624-V628 PolarHBondContact O-N 2.88Å; G625-V628 PolarHBondContact O-N 3.42Å; V628-C630 VanDerWaalsContact C-N 3.29Å; V628-C630 PolarHBondContact O-N 2.85Å; V628-L631 PolarHBondContact O-N 2.84Å; V628-I632 HydrophobicContact CG1-CD1 3.99Å; V628-I632 WeakPolarHBondContact O-CG1 3.24Å; V628-I632 PolarHBondContact O-N 3.22Å; V628-L662 HydrophobicContact CG2-CD1 4.24Å; V628-L662 HydrophobicContact CG2-CD2 4.13Å |
| 629 | V | 89.6 | Confident | 85.1 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | G625 S626 I632 I633 L863 | G625-V629 WeakPolarHBondContact O-CG2 3.1Å; G625-V629 PolarHBondContact O-N 3.46Å; G625-V629 VanDerWaalsContact O-N 3.14Å; S626-V629 PolarHBondContact O-N 2.84Å; V629-I632 PolarHBondContact O-N 3.43Å; V629-I633 HydrophobicContact CG1-CD1 3.8Å; V629-I633 HydrophobicContact CG1-CG1 4.41Å; V629-I633 VanDerWaalsContact O-CG1 3.31Å; V629-I633 WeakPolarHBondContact O-CG1 3.23Å; V629-I633 PolarHBondContact O-N 2.79Å; V629-L863 HydrophobicContact CB-CD1 4.37Å; V629-L863 HydrophobicContact CB-CD2 4.4Å; V629-L863 HydrophobicContact CG1-CD1 3.91Å; V629-L863 HydrophobicContact CG1-CD2 4.21Å |
| 630 | C | 88.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.4 | -48 | 176.4 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | S626 L627 V628 I632 I633 E634 L863 T867 | S626-C630 WeakPolarHBondContact O-CB 3.23Å; S626-C630 PolarHBondContact O-N 3.34Å; L627-C630 VanDerWaalsContact O-CB 3.29Å; L627-C630 WeakPolarHBondContact O-CB 3.22Å; L627-C630 PolarHBondContact O-N 3.5Å; V628-C630 VanDerWaalsContact C-N 3.29Å; V628-C630 PolarHBondContact O-N 2.85Å; C630-I632 PolarHBondContact O-N 3.07Å; C630-I633 PolarHBondContact O-N 3.01Å; C630-E634 WeakPolarHBondContact O-CG 3.39Å; C630-E634 PolarHBondContact O-N 3.04Å; C630-L863 HydrophobicContact CB-CB 4.24Å; C630-L863 HydrophobicContact CB-CD1 3.87Å; C630-T867 HydrophobicContact CB-CG2 4.46Å; C630-T867 WeakPolarHBondContact SG-CG2 3.34Å |
| 631 | L | 89.6 | Confident | 85 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 178.3 | -67.8 | 174.4 | 0 | 0 | 0 | 112.7 | L627 V628 E634 G635 V655 A658 V659 L662 | L627-L631 WeakPolarHBondContact O-CG 3.3Å; L627-L631 PolarHBondContact O-N 3.07Å; V628-L631 PolarHBondContact O-N 2.84Å; L631-E634 PolarHBondContact O-N 2.8Å; L631-G635 PolarHBondContact O-N 3.04Å; L631-V655 HydrophobicContact CD2-CG1 4.09Å; L631-A658 HydrophobicContact CD2-CB 3.89Å; L631-A658 HydrophobicContact CG-CB 4.27Å; L631-V659 HydrophobicContact CD1-CG2 4.08Å; L631-V659 HydrophobicContact CD2-CG2 3.84Å; L631-L662 HydrophobicContact CD1-CD2 3.98Å |
| 632 | I | 88.5 | Confident | 84.5 | Confident | 97 Ų | 97 | 53.9 Ų | 53.9 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 175 | -68 | 166.1 | 0 | 0 | 0 | 110.5 | V628 V629 C630 E634 G635 I636 | V628-I632 HydrophobicContact CG1-CD1 3.99Å; V628-I632 WeakPolarHBondContact O-CG1 3.24Å; V628-I632 PolarHBondContact O-N 3.22Å; V629-I632 PolarHBondContact O-N 3.43Å; C630-I632 PolarHBondContact O-N 3.07Å; I632-E634 PolarHBondContact O-N 3.13Å; I632-G635 PolarHBondContact O-N 3.02Å; I632-I636 HydrophobicContact CG2-CD1 3.96Å; I632-I636 WeakPolarHBondContact O-CG1 3.5Å; I632-I636 PolarHBondContact O-N 2.9Å |
| 633 | I | 86.1 | Confident | 83.6 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 179.8 | -69 | 169 | 0 | 0 | 0 | 110.8 | V629 C630 I636 A637 L863 L868 V873 | V629-I633 HydrophobicContact CG1-CD1 3.8Å; V629-I633 HydrophobicContact CG1-CG1 4.41Å; V629-I633 VanDerWaalsContact O-CG1 3.31Å; V629-I633 WeakPolarHBondContact O-CG1 3.23Å; V629-I633 PolarHBondContact O-N 2.79Å; C630-I633 PolarHBondContact O-N 3.01Å; I633-I636 PolarHBondContact O-N 3.29Å; I633-A637 WeakPolarHBondContact O-CB 3.19Å; I633-A637 PolarHBondContact O-N 2.8Å; I633-L863 HydrophobicContact CD1-CD1 3.89Å; I633-L868 HydrophobicContact CD1-CD2 3.75Å; I633-V873 HydrophobicContact CG2-CG1 3.45Å; I633-V873 VanDerWaalsContact CG2-CG1 3.45Å |
| 634 | E | 85.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 176.2 | -75.3 | -66.9 | 171.6 | 0 | 0 | 111.9 | C630 L631 I632 I636 A637 W638 I641 H651 V655 T867 | C630-E634 WeakPolarHBondContact O-CG 3.39Å; C630-E634 PolarHBondContact O-N 3.04Å; L631-E634 PolarHBondContact O-N 2.8Å; I632-E634 PolarHBondContact O-N 3.13Å; E634-I636 PolarHBondContact O-N 3.08Å; E634-A637 CarbonylContact O-C 3.59Å; E634-A637 PolarHBondContact O-N 3.48Å; E634-W638 WeakPolarHBondContact O-CA 3.28Å; E634-W638 WeakPolarHBondContact O-CB 3.45Å; E634-W638 PolarHBondContact O-N 3.44Å; E634-I641 VanDerWaalsContact OE2-CD1 3.32Å; E634-I641 WeakPolarHBondContact OE2-CD1 3.33Å; E634-H651 VanDerWaalsContact CD-ND1 3.3Å; E634-H651 IonicContact OE1-CE1 2.79Å; E634-H651 PolarHBondContact OE1-CE1 3.21Å; E634-H651 IonicContact OE1-CG 3.77Å; E634-H651 IonicContact OE1-ND1 3.69Å; E634-H651 PolarHBondContact OE1-ND1 3.2Å; E634-H651 IonicContact OE2-CG 2.68Å; E634-H651 IonicContact OE2-ND1 2.9Å; E634-H651 PolarHBondContact OE2-ND1 3.13Å; E634-H651 VanDerWaalsContact OE2-ND1 3.09Å; E634-V655 HydrophobicContact CB-CG2 3.88Å; E634-V655 HydrophobicContact CG-CG2 4.07Å; E634-T867 HydrophobicContact CG-CG2 3.86Å; E634-T867 WeakPolarHBondContact OE1-CG2 3.33Å |
| 635 | G | 84.9 | Confident | 81.5 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L631 I632 W638 | L631-G635 PolarHBondContact O-N 3.04Å; I632-G635 PolarHBondContact O-N 3.02Å; G635-W638 WeakPolarHBondContact O-CB 3.3Å; G635-W638 PolarHBondContact O-N 3.37Å |
| 636 | I | 84 | Confident | 80.1 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 44% | 0.436 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 176.2 | -65.9 | 165.9 | 0 | 0 | 0 | 110.8 | I632 I633 E634 W638 M877 | I632-I636 HydrophobicContact CG2-CD1 3.96Å; I632-I636 WeakPolarHBondContact O-CG1 3.5Å; I632-I636 PolarHBondContact O-N 2.9Å; I633-I636 PolarHBondContact O-N 3.29Å; E634-I636 PolarHBondContact O-N 3.08Å; I636-W638 VanDerWaalsContact C-N 3.32Å; I636-W638 PolarHBondContact O-N 2.81Å; I636-M877 HydrophobicContact CG2-SD 4.1Å |
| 637 | A | 82.3 | Confident | 79.2 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -78 | -14.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I633 E634 R639 K640 I641 V873 A876 | I633-A637 WeakPolarHBondContact O-CB 3.19Å; I633-A637 PolarHBondContact O-N 2.8Å; E634-A637 CarbonylContact O-C 3.59Å; E634-A637 PolarHBondContact O-N 3.48Å; A637-R639 VanDerWaalsContact C-N 3.32Å; A637-R639 PolarHBondContact O-N 3.44Å; A637-K640 PolarHBondContact O-N 2.91Å; A637-I641 HydrophobicContact CB-CD1 3.58Å; A637-I641 HydrophobicContact CB-CG1 4.28Å; A637-I641 WeakPolarHBondContact O-CG1 3.4Å; A637-I641 PolarHBondContact O-N 2.7Å; A637-V873 HydrophobicContact CB-CG1 4.33Å; A637-V873 HydrophobicContact CB-CG2 4.32Å; A637-A876 HydrophobicContact CB-CB 4.06Å |
| 638 | W | 82.8 | Confident | 78.7 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.6 | -42.3 | -169.9 | -163.3 | -117.1 | 0 | 0 | 0 | 114.1 | E634 G635 I636 K640 I641 R642 Y648 V652 V655 | E634-W638 WeakPolarHBondContact O-CA 3.28Å; E634-W638 WeakPolarHBondContact O-CB 3.45Å; E634-W638 PolarHBondContact O-N 3.44Å; G635-W638 WeakPolarHBondContact O-CB 3.3Å; G635-W638 PolarHBondContact O-N 3.37Å; I636-W638 VanDerWaalsContact C-N 3.32Å; I636-W638 PolarHBondContact O-N 2.81Å; W638-K640 VanDerWaalsContact C-N 3.25Å; W638-K640 PolarHBondContact O-N 3.38Å; W638-I641 PolarHBondContact O-N 2.95Å; W638-R642 VanDerWaalsContact CD1-NH2 3.28Å; W638-R642 PolarHBondContact O-N 2.91Å; W638-Y648 HydrophobicContact CH2-CE2 4.37Å; W638-Y648 AromaticContact CZ2-CE2 3.95Å; W638-Y648 HydrophobicContact CZ2-CE2 3.95Å; W638-V652 HydrophobicContact CH2-CG2 3.7Å; W638-V652 HydrophobicContact CZ2-CG2 4.35Å; W638-V655 HydrophobicContact CZ3-CG2 3.95Å |
| 639 | R | 76.9 | Confident | 78 | Confident | 220 Ų | 220 | 66.8 Ų | 66.8 | 83% | 0.83 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.1 | -35.5 | 179.7 | -70.9 | -173.9 | -177 | -174.6 | 1.4 | 112.4 | A637 | A637-R639 VanDerWaalsContact C-N 3.32Å; A637-R639 PolarHBondContact O-N 3.44Å |
| 640 | K | 71.6 | Confident | 77.6 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -83.2 | -38 | -179.9 | -166.3 | 175.3 | -177.6 | -177 | 0 | 111.4 | A637 W638 R643 S875 A876 | A637-K640 PolarHBondContact O-N 2.91Å; W638-K640 VanDerWaalsContact C-N 3.25Å; W638-K640 PolarHBondContact O-N 3.38Å; K640-R643 PolarHBondContact O-N 2.9Å; K640-S875 PolarHBondContact NZ-O 3.04Å; K640-S875 PolarHBondContact NZ-OG 3.49Å; K640-A876 HydrophobicContact CB-CB 4.45Å; K640-A876 HydrophobicContact CD-CB 3.79Å |
| 641 | I | 76.1 | Confident | 77.4 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 179.2 | -68.4 | 165.1 | 0 | 0 | 0 | 111.5 | E634 A637 W638 R643 H644 H651 T872 V873 | E634-I641 VanDerWaalsContact OE2-CD1 3.32Å; E634-I641 WeakPolarHBondContact OE2-CD1 3.33Å; A637-I641 HydrophobicContact CB-CD1 3.58Å; A637-I641 HydrophobicContact CB-CG1 4.28Å; A637-I641 WeakPolarHBondContact O-CG1 3.4Å; A637-I641 PolarHBondContact O-N 2.7Å; W638-I641 PolarHBondContact O-N 2.95Å; I641-R643 PolarHBondContact O-N 3.32Å; I641-R643 VanDerWaalsContact O-N 3.1Å; I641-H644 PolarHBondContact O-N 2.92Å; I641-H644 VanDerWaalsContact O-N 3.1Å; I641-H651 HydrophobicContact CD1-CB 4.34Å; I641-H651 HydrophobicContact CG2-CB 3.79Å; I641-T872 HydrophobicContact CG1-CG2 4.48Å; I641-V873 HydrophobicContact CD1-CG2 4.26Å |
| 642 | R | 71.9 | Confident | 77.3 | Confident | 155 Ų | 155 | 64.6 Ų | 64.6 | 59% | 0.585 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.3 | 179.6 | -164.8 | -174.2 | -60.7 | 177.9 | -0.6 | 113.9 | W638 H644 Y648 | W638-R642 VanDerWaalsContact CD1-NH2 3.28Å; W638-R642 PolarHBondContact O-N 2.91Å; R642-H644 VanDerWaalsContact C-N 3.33Å; R642-Y648 HydrophobicContact CB-CD2 4.33Å; R642-Y648 HydrophobicContact CG-CD2 4.25Å; R642-Y648 HydrophobicContact CG-CE2 4.2Å |
| 643 | R | 66.4 | Low | 77.2 | Confident | 214 Ų | 214 | 60.4 Ų | 60.4 | 81% | 0.808 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -23.9 | 179.8 | -68.3 | -176.7 | 176.4 | 170.9 | -1.5 | 113.2 | K640 I641 | K640-R643 PolarHBondContact O-N 2.9Å; I641-R643 PolarHBondContact O-N 3.32Å; I641-R643 VanDerWaalsContact O-N 3.1Å |
| 644 | H | 67.7 | Low | 77.2 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | trans | -107.3 | 111.9 | 177.9 | -66.5 | -73.5 | 0 | 0 | 0 | 110.1 | I641 R642 T646 S647 Y648 | I641-H644 PolarHBondContact O-N 2.92Å; I641-H644 VanDerWaalsContact O-N 3.1Å; R642-H644 VanDerWaalsContact C-N 3.33Å; H644-T646 PolarHBondContact O-N 3.28Å; H644-S647 PolarHBondContact O-N 2.8Å; H644-Y648 WeakPolarHBondContact O-CB 3.48Å; H644-Y648 PolarHBondContact O-N 3.44Å | ||
| 645 | S | 60.8 | Low | 77.4 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.4 | -40 | 179.6 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 646 | T | 60.6 | Low | 77.8 | Confident | 77 Ų | 77 | 60 Ų | 60 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.7 | -42.3 | -176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | H644 R711 | H644-T646 PolarHBondContact O-N 3.28Å; T646-R711 VanDerWaalsContact CA-NH2 3.29Å; T646-R711 VanDerWaalsContact CG2-CZ 3.46Å; T646-R711 PolarHBondContact O-NH1 2.98Å; T646-R711 PolarHBondContact O-NH2 2.9Å |
| 647 | S | 67.9 | Low | 78 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73 | -38.4 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | H644 L649 R650 H651 | H644-S647 PolarHBondContact O-N 2.8Å; S647-L649 PolarHBondContact O-N 3.24Å; S647-R650 PolarHBondContact O-N 3.2Å; S647-H651 PolarHBondContact O-CD2 3.31Å; S647-H651 PolarHBondContact O-N 3.3Å; S647-H651 VanDerWaalsContact O-N 3.09Å |
| 648 | Y | 79 | Confident | 78.5 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -51.3 | -53.8 | -175.4 | -180 | -110 | 0 | 0 | 0 | 114.2 | W638 R642 H644 R650 H651 V652 L726 | W638-Y648 HydrophobicContact CH2-CE2 4.37Å; W638-Y648 AromaticContact CZ2-CE2 3.95Å; W638-Y648 HydrophobicContact CZ2-CE2 3.95Å; R642-Y648 HydrophobicContact CB-CD2 4.33Å; R642-Y648 HydrophobicContact CG-CD2 4.25Å; R642-Y648 HydrophobicContact CG-CE2 4.2Å; H644-Y648 WeakPolarHBondContact O-CB 3.48Å; H644-Y648 PolarHBondContact O-N 3.44Å; Y648-R650 VanDerWaalsContact C-N 3.35Å; Y648-R650 PolarHBondContact O-N 3.38Å; Y648-H651 PolarHBondContact O-N 3.09Å; Y648-V652 HydrophobicContact CD1-CG2 4.42Å; Y648-V652 HydrophobicContact CD2-CG2 4.26Å; Y648-V652 HydrophobicContact CE1-CG2 4.1Å; Y648-V652 HydrophobicContact CE2-CG2 3.91Å; Y648-V652 VanDerWaalsContact O-CG2 3.24Å; Y648-V652 WeakPolarHBondContact O-CG2 3.36Å; Y648-V652 PolarHBondContact O-N 3.48Å; Y648-L726 HydrophobicContact CE1-CD1 4.36Å |
| 649 | L | 77.6 | Confident | 78.9 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -35.8 | -177.8 | -67.6 | 174.1 | 0 | 0 | 0 | 113.5 | S647 V652 S653 L707 M725 | S647-L649 PolarHBondContact O-N 3.24Å; L649-V652 PolarHBondContact O-N 2.98Å; L649-S653 PolarHBondContact O-N 2.84Å; L649-S653 VanDerWaalsContact O-N 3.1Å; L649-S653 PolarHBondContact O-OG 3.27Å; L649-L707 HydrophobicContact CB-CD1 4.34Å; L649-L707 HydrophobicContact CB-CD2 3.72Å; L649-L707 HydrophobicContact CD1-CD1 4.12Å; L649-M725 HydrophobicContact CD1-CB 4.04Å; L649-M725 HydrophobicContact CD1-SD 3.76Å |
| 650 | R | 80.6 | Confident | 79.7 | Confident | 57 Ų | 57 | 45 Ų | 45 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.8 | -44.4 | 178.2 | -178.4 | -174.3 | 66.8 | -125.2 | 0.1 | 111.2 | S647 Y648 S653 I654 L707 D870 | S647-R650 PolarHBondContact O-N 3.2Å; Y648-R650 VanDerWaalsContact C-N 3.35Å; Y648-R650 PolarHBondContact O-N 3.38Å; R650-S653 PolarHBondContact O-N 2.89Å; R650-I654 HydrophobicContact CG-CD1 4.13Å; R650-I654 WeakPolarHBondContact O-CG1 3.46Å; R650-I654 PolarHBondContact O-N 3.15Å; R650-L707 HydrophobicContact CB-CD2 4.46Å; R650-D870 IonicContact CZ-OD2 2.68Å; R650-D870 IonicContact NH2-OD2 3.98Å; R650-D870 PolarHBondContact NH2-OD2 3.25Å |
| 651 | H | 84.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.1 | -31.1 | 178.3 | -72.3 | -81.3 | 0 | 0 | 0 | 111.9 | E634 I641 S647 Y648 I654 V655 D870 | E634-H651 VanDerWaalsContact CD-ND1 3.3Å; E634-H651 IonicContact OE1-CE1 2.79Å; E634-H651 PolarHBondContact OE1-CE1 3.21Å; E634-H651 IonicContact OE1-CG 3.77Å; E634-H651 IonicContact OE1-ND1 3.69Å; E634-H651 PolarHBondContact OE1-ND1 3.2Å; E634-H651 IonicContact OE2-CG 2.68Å; E634-H651 IonicContact OE2-ND1 2.9Å; E634-H651 PolarHBondContact OE2-ND1 3.13Å; E634-H651 VanDerWaalsContact OE2-ND1 3.09Å; I641-H651 HydrophobicContact CD1-CB 4.34Å; I641-H651 HydrophobicContact CG2-CB 3.79Å; S647-H651 PolarHBondContact O-CD2 3.31Å; S647-H651 PolarHBondContact O-N 3.3Å; S647-H651 VanDerWaalsContact O-N 3.09Å; Y648-H651 PolarHBondContact O-N 3.09Å; H651-I654 PolarHBondContact O-N 3.25Å; H651-V655 WeakPolarHBondContact O-CB 3.43Å; H651-V655 VanDerWaalsContact O-CG2 3.31Å; H651-V655 WeakPolarHBondContact O-CG2 3.27Å; H651-V655 PolarHBondContact O-N 3Å; H651-D870 IonicContact NE2-OD1 3.67Å; H651-D870 IonicContact NE2-OD2 3.86Å |
| 652 | V | 87.2 | Confident | 81.3 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | 168.8 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | W638 Y648 L649 V655 N656 F730 | W638-V652 HydrophobicContact CH2-CG2 3.7Å; W638-V652 HydrophobicContact CZ2-CG2 4.35Å; Y648-V652 HydrophobicContact CD1-CG2 4.42Å; Y648-V652 HydrophobicContact CD2-CG2 4.26Å; Y648-V652 HydrophobicContact CE1-CG2 4.1Å; Y648-V652 HydrophobicContact CE2-CG2 3.91Å; Y648-V652 VanDerWaalsContact O-CG2 3.24Å; Y648-V652 WeakPolarHBondContact O-CG2 3.36Å; Y648-V652 PolarHBondContact O-N 3.48Å; L649-V652 PolarHBondContact O-N 2.98Å; V652-V655 PolarHBondContact O-N 3.43Å; V652-N656 PolarHBondContact O-N 3.04Å; V652-N656 PolarHBondContact O-ND2 3.25Å; V652-F730 HydrophobicContact CG1-CE2 4.15Å; V652-F730 HydrophobicContact CG1-CZ 4.41Å |
| 653 | S | 86.6 | Confident | 82.3 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | L649 R650 V655 N656 I657 | L649-S653 PolarHBondContact O-N 2.84Å; L649-S653 VanDerWaalsContact O-N 3.1Å; L649-S653 PolarHBondContact O-OG 3.27Å; R650-S653 PolarHBondContact O-N 2.89Å; S653-V655 PolarHBondContact O-N 3.19Å; S653-N656 PolarHBondContact O-N 3.31Å; S653-I657 WeakPolarHBondContact O-CB 3.09Å; S653-I657 WeakPolarHBondContact O-CG1 3.41Å; S653-I657 PolarHBondContact O-N 2.94Å |
| 654 | I | 86.4 | Confident | 83.3 | Confident | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 177.6 | -68.2 | 165.2 | 0 | 0 | 0 | 111.5 | R650 H651 I657 A658 T867 | R650-I654 HydrophobicContact CG-CD1 4.13Å; R650-I654 WeakPolarHBondContact O-CG1 3.46Å; R650-I654 PolarHBondContact O-N 3.15Å; H651-I654 PolarHBondContact O-N 3.25Å; I654-I657 PolarHBondContact O-N 3.45Å; I654-A658 WeakPolarHBondContact O-CB 3.28Å; I654-A658 PolarHBondContact O-N 2.92Å; I654-T867 HydrophobicContact CG2-CG2 4.43Å |
| 655 | V | 90.2 | Very high | 84.2 | Confident | 30 Ų | 30 | 23 Ų | 23 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.8 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | L631 E634 W638 H651 V652 S653 A658 V659 | L631-V655 HydrophobicContact CD2-CG1 4.09Å; E634-V655 HydrophobicContact CB-CG2 3.88Å; E634-V655 HydrophobicContact CG-CG2 4.07Å; W638-V655 HydrophobicContact CZ3-CG2 3.95Å; H651-V655 WeakPolarHBondContact O-CB 3.43Å; H651-V655 VanDerWaalsContact O-CG2 3.31Å; H651-V655 WeakPolarHBondContact O-CG2 3.27Å; H651-V655 PolarHBondContact O-N 3Å; V652-V655 PolarHBondContact O-N 3.43Å; S653-V655 PolarHBondContact O-N 3.19Å; V655-A658 PolarHBondContact O-N 2.67Å; V655-V659 HydrophobicContact CG1-CG2 4.26Å; V655-V659 WeakPolarHBondContact O-CB 3.24Å; V655-V659 VanDerWaalsContact O-CG2 3.28Å; V655-V659 WeakPolarHBondContact O-CG2 3.36Å; V655-V659 PolarHBondContact O-N 3.47Å |
| 656 | N | 91.6 | Very high | 85.6 | Confident | 20 Ų | 20 | 23.8 Ų | 23.8 | 11% | 0.107 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.3 | -34.9 | 179.6 | -72.1 | -80.3 | 0 | 0 | 0 | 112.7 | V652 S653 A658 S660 W700 Y734 | V652-N656 PolarHBondContact O-N 3.04Å; V652-N656 PolarHBondContact O-ND2 3.25Å; S653-N656 PolarHBondContact O-N 3.31Å; N656-A658 VanDerWaalsContact C-N 3.35Å; N656-S660 VanDerWaalsContact O-CB 3.27Å; N656-S660 WeakPolarHBondContact O-CB 3.31Å; N656-S660 PolarHBondContact O-N 3.5Å; N656-S660 PolarHBondContact O-OG 3.39Å; N656-W700 HydrophobicContact CB-CD2 3.58Å; N656-W700 VanDerWaalsContact CB-CE2 3.43Å; N656-W700 HydrophobicContact CB-CE3 4.07Å; N656-W700 HydrophobicContact CB-CG 3.95Å; N656-W700 HydrophobicContact CB-CH2 4.26Å; N656-W700 HydrophobicContact CB-CZ2 3.8Å; N656-W700 HydrophobicContact CB-CZ3 4.38Å; N656-Y734 WeakPolarHBondContact OD1-CE2 3.25Å; N656-Y734 PolarHBondContact OD1-OH 3.42Å |
| 657 | I | 90 | Very high | 86.9 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 169.6 | -73.1 | 169.2 | 0 | 0 | 0 | 109.8 | S653 I654 L661 L697 W700 M701 I862 | S653-I657 WeakPolarHBondContact O-CB 3.09Å; S653-I657 WeakPolarHBondContact O-CG1 3.41Å; S653-I657 PolarHBondContact O-N 2.94Å; I654-I657 PolarHBondContact O-N 3.45Å; I657-L661 WeakPolarHBondContact O-CB 3.29Å; I657-L661 PolarHBondContact O-N 3.42Å; I657-L697 HydrophobicContact CB-CD1 4.22Å; I657-L697 HydrophobicContact CG2-CD1 3.54Å; I657-W700 HydrophobicContact CG1-CB 3.65Å; I657-M701 HydrophobicContact CD1-CG 3.95Å; I657-M701 HydrophobicContact CG1-CG 4.28Å; I657-I862 HydrophobicContact CG2-CD1 3.96Å |
| 658 | A | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L627 L631 I654 V655 N656 L662 | L627-A658 HydrophobicContact CD2-CB 3.93Å; L631-A658 HydrophobicContact CD2-CB 3.89Å; L631-A658 HydrophobicContact CG-CB 4.27Å; I654-A658 WeakPolarHBondContact O-CB 3.28Å; I654-A658 PolarHBondContact O-N 2.92Å; V655-A658 PolarHBondContact O-N 2.67Å; N656-A658 VanDerWaalsContact C-N 3.35Å; A658-L662 WeakPolarHBondContact O-CB 3.47Å; A658-L662 PolarHBondContact O-N 2.99Å |
| 659 | V | 93.1 | Very high | 87.8 | Confident | 45 Ų | 45 | 24.9 Ų | 24.9 | 27% | 0.273 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -65.5 | -47.4 | 176.1 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L631 V655 L662 I663 | L631-V659 HydrophobicContact CD1-CG2 4.08Å; L631-V659 HydrophobicContact CD2-CG2 3.84Å; V655-V659 HydrophobicContact CG1-CG2 4.26Å; V655-V659 WeakPolarHBondContact O-CB 3.24Å; V655-V659 VanDerWaalsContact O-CG2 3.28Å; V655-V659 WeakPolarHBondContact O-CG2 3.36Å; V655-V659 PolarHBondContact O-N 3.47Å; V659-L662 PolarHBondContact O-N 3.4Å; V659-I663 HydrophobicContact CG1-CD1 3.65Å; V659-I663 HydrophobicContact CG1-CG1 4.41Å; V659-I663 VanDerWaalsContact O-CG1 3.27Å; V659-I663 WeakPolarHBondContact O-CG1 3.36Å; V659-I663 PolarHBondContact O-N 2.99Å |
| 660 | S | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | -179.8 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | N656 I663 A664 Y734 | N656-S660 VanDerWaalsContact O-CB 3.27Å; N656-S660 WeakPolarHBondContact O-CB 3.31Å; N656-S660 PolarHBondContact O-N 3.5Å; N656-S660 PolarHBondContact O-OG 3.39Å; S660-I663 PolarHBondContact O-N 3.05Å; S660-A664 WeakPolarHBondContact O-CB 3.43Å; S660-A664 PolarHBondContact O-N 3.25Å; S660-Y734 WeakPolarHBondContact OG-CE1 3.45Å; S660-Y734 PolarHBondContact OG-OH 2.89Å; S660-Y734 VanDerWaalsContact OG-OH 3.13Å |
| 661 | L | 89.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.4 | -178.5 | 57.7 | 0 | 0 | 0 | 112 | L627 I657 I663 A664 D665 Y694 L697 Q858 I862 | L627-L661 HydrophobicContact CD1-CB 4.09Å; L627-L661 HydrophobicContact CD1-CD2 3.84Å; L627-L661 HydrophobicContact CD1-CG 3.72Å; L627-L661 HydrophobicContact CD2-CD2 4.34Å; I657-L661 WeakPolarHBondContact O-CB 3.29Å; I657-L661 PolarHBondContact O-N 3.42Å; L661-I663 PolarHBondContact O-N 3.37Å; L661-A664 PolarHBondContact O-N 3.41Å; L661-D665 WeakPolarHBondContact O-CB 3.49Å; L661-D665 VanDerWaalsContact O-CG 3.27Å; L661-D665 PolarHBondContact O-N 2.95Å; L661-Y694 HydrophobicContact CD1-CD1 4.49Å; L661-Y694 HydrophobicContact CD1-CE1 3.9Å; L661-L697 HydrophobicContact CB-CD1 4.14Å; L661-L697 HydrophobicContact CB-CD2 4.16Å; L661-L697 HydrophobicContact CD1-CD2 3.8Å; L661-L697 HydrophobicContact CG-CD2 4.37Å; L661-Q858 HydrophobicContact CD2-CG 4.35Å; L661-I862 HydrophobicContact CD2-CD1 3.83Å |
| 662 | L | 92 | Very high | 87.7 | Confident | 24 Ų | 24 | 25 Ų | 25 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.7 | 179.4 | 63.2 | 0 | 0 | 0 | 112 | M624 L627 V628 L631 A658 V659 I666 | M624-L662 HydrophobicContact CB-CD1 4.14Å; M624-L662 HydrophobicContact CE-CD1 4.32Å; M624-L662 HydrophobicContact CG-CD1 4.15Å; L627-L662 HydrophobicContact CB-CB 4.49Å; L627-L662 HydrophobicContact CD1-CB 4.27Å; V628-L662 HydrophobicContact CG2-CD1 4.24Å; V628-L662 HydrophobicContact CG2-CD2 4.13Å; L631-L662 HydrophobicContact CD1-CD2 3.98Å; A658-L662 WeakPolarHBondContact O-CB 3.47Å; A658-L662 PolarHBondContact O-N 2.99Å; V659-L662 PolarHBondContact O-N 3.4Å; L662-I666 HydrophobicContact CD1-CD1 4.21Å; L662-I666 HydrophobicContact CG-CD1 4.06Å; L662-I666 WeakPolarHBondContact O-CD1 3.39Å; L662-I666 VanDerWaalsContact O-CG1 3.23Å; L662-I666 WeakPolarHBondContact O-CG1 3.38Å; L662-I666 PolarHBondContact O-N 3.13Å |
| 663 | I | 92.3 | Very high | 87.2 | Confident | 49 Ų | 49 | 27.4 Ų | 27.4 | 25% | 0.251 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.5 | -40.8 | 178 | -64.2 | 168.2 | 0 | 0 | 0 | 110.4 | V659 S660 L661 I666 W667 F693 | V659-I663 HydrophobicContact CG1-CD1 3.65Å; V659-I663 HydrophobicContact CG1-CG1 4.41Å; V659-I663 VanDerWaalsContact O-CG1 3.27Å; V659-I663 WeakPolarHBondContact O-CG1 3.36Å; V659-I663 PolarHBondContact O-N 2.99Å; S660-I663 PolarHBondContact O-N 3.05Å; L661-I663 PolarHBondContact O-N 3.37Å; I663-I666 PolarHBondContact O-N 2.71Å; I663-W667 VanDerWaalsContact O-CD1 3.27Å; I663-W667 PolarHBondContact O-N 3.23Å; I663-F693 HydrophobicContact CB-CD1 4.21Å; I663-F693 HydrophobicContact CB-CD2 4.16Å; I663-F693 HydrophobicContact CB-CE1 4.36Å; I663-F693 HydrophobicContact CB-CE2 4.32Å; I663-F693 HydrophobicContact CB-CG 4.11Å; I663-F693 HydrophobicContact CB-CZ 4.42Å; I663-F693 HydrophobicContact CD1-CD1 4.33Å; I663-F693 HydrophobicContact CD1-CE1 3.76Å; I663-F693 HydrophobicContact CD1-CZ 3.88Å; I663-F693 HydrophobicContact CG2-CD1 4.22Å; I663-F693 HydrophobicContact CG2-CD2 3.36Å; I663-F693 HydrophobicContact CG2-CE1 4.2Å; I663-F693 HydrophobicContact CG2-CE2 3.34Å; I663-F693 HydrophobicContact CG2-CG 3.83Å; I663-F693 HydrophobicContact CG2-CZ 3.79Å |
| 664 | A | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S660 L661 W667 F668 F693 Y694 | S660-A664 WeakPolarHBondContact O-CB 3.43Å; S660-A664 PolarHBondContact O-N 3.25Å; L661-A664 PolarHBondContact O-N 3.41Å; A664-W667 PolarHBondContact O-N 3.42Å; A664-F668 WeakPolarHBondContact O-CB 3.34Å; A664-F668 PolarHBondContact O-N 3.48Å; A664-F693 HydrophobicContact CB-CB 3.9Å; A664-Y694 HydrophobicContact CB-CD1 3.92Å; A664-Y694 HydrophobicContact CB-CD2 3.83Å; A664-Y694 HydrophobicContact CB-CE1 3.92Å; A664-Y694 HydrophobicContact CB-CE2 3.83Å; A664-Y694 HydrophobicContact CB-CG 3.87Å |
| 665 | D | 86.3 | Confident | 85.7 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.6 | -72.4 | -10.6 | 0 | 0 | 0 | 111.5 | I620 S623 M624 L661 F668 I669 Y694 | I620-D665 HydrophobicContact CG2-CB 4.1Å; S623-D665 PolarHBondContact OG-OD2 2.88Å; M624-D665 HydrophobicContact CG-CB 3.73Å; M624-D665 HydrophobicContact SD-CB 4.09Å; L661-D665 WeakPolarHBondContact O-CB 3.49Å; L661-D665 VanDerWaalsContact O-CG 3.27Å; L661-D665 PolarHBondContact O-N 2.95Å; D665-F668 WeakPolarHBondContact O-CB 3.33Å; D665-F668 PolarHBondContact O-N 3.4Å; D665-I669 WeakPolarHBondContact O-CG1 3.46Å; D665-I669 PolarHBondContact O-N 3.19Å; D665-I669 VanDerWaalsContact O-N 3.12Å; D665-Y694 PolarHBondContact OD1-OH 2.89Å |
| 666 | I | 89.3 | Confident | 84.3 | Confident | 67 Ų | 67 | 34.7 Ų | 34.7 | 34% | 0.344 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 175.7 | -71.1 | 166.1 | 0 | 0 | 0 | 110.6 | M624 L662 I663 F668 I669 I670 | M624-I666 HydrophobicContact CE-CD1 4.39Å; M624-I666 HydrophobicContact CE-CG1 3.51Å; L662-I666 HydrophobicContact CD1-CD1 4.21Å; L662-I666 HydrophobicContact CG-CD1 4.06Å; L662-I666 WeakPolarHBondContact O-CD1 3.39Å; L662-I666 VanDerWaalsContact O-CG1 3.23Å; L662-I666 WeakPolarHBondContact O-CG1 3.38Å; L662-I666 PolarHBondContact O-N 3.13Å; I663-I666 PolarHBondContact O-N 2.71Å; I666-F668 VanDerWaalsContact C-N 3.3Å; I666-F668 PolarHBondContact O-N 3.33Å; I666-I669 PolarHBondContact O-N 3.1Å; I666-I670 HydrophobicContact CG2-CD1 3.67Å; I666-I670 HydrophobicContact CG2-CG1 4.42Å; I666-I670 VanDerWaalsContact O-CG1 3.32Å; I666-I670 WeakPolarHBondContact O-CG1 3.43Å; I666-I670 PolarHBondContact O-N 3.33Å |
| 667 | W | 89.1 | Confident | 82.8 | Confident | 67 Ų | 67 | 37.9 Ų | 37.9 | 25% | 0.254 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.1 | -29.6 | 179.9 | -81.6 | 106.7 | 0 | 0 | 0 | 112.8 | I663 A664 I670 G671 A686 F689 I690 | I663-W667 VanDerWaalsContact O-CD1 3.27Å; I663-W667 PolarHBondContact O-N 3.23Å; A664-W667 PolarHBondContact O-N 3.42Å; W667-I670 HydrophobicContact CE3-CB 4.37Å; W667-I670 HydrophobicContact CE3-CG2 4.03Å; W667-I670 HydrophobicContact CZ3-CG2 4.11Å; W667-I670 PolarHBondContact O-N 3.04Å; W667-G671 PolarHBondContact O-N 3.01Å; W667-A686 HydrophobicContact CE3-CB 3.87Å; W667-A686 HydrophobicContact CZ3-CB 4.12Å; W667-F689 HydrophobicContact CB-CB 4.36Å; W667-F689 HydrophobicContact CD2-CB 3.82Å; W667-F689 HydrophobicContact CD2-CD2 4.04Å; W667-F689 HydrophobicContact CD2-CG 4.19Å; W667-F689 AromaticContact CE2-CD2 3.55Å; W667-F689 AromaticContact CE2-CG 3.73Å; W667-F689 HydrophobicContact CE3-CD2 4.33Å; W667-F689 HydrophobicContact CG-CB 3.71Å; W667-F689 HydrophobicContact CG-CG 4.48Å; W667-F689 AromaticContact CH2-CD2 3.72Å; W667-F689 HydrophobicContact CH2-CD2 3.72Å; W667-F689 AromaticContact CH2-CE2 3.98Å; W667-F689 HydrophobicContact CH2-CE2 3.98Å; W667-F689 AromaticContact CZ2-CD2 3.39Å; W667-F689 HydrophobicContact CZ2-CD2 3.39Å; W667-F689 AromaticContact CZ2-CE2 3.69Å; W667-F689 HydrophobicContact CZ2-CE2 3.69Å; W667-F689 HydrophobicContact CZ2-CG 4.02Å; W667-F689 HydrophobicContact CZ2-CZ 4.49Å; W667-F689 HydrophobicContact CZ3-CD2 4.18Å; W667-F689 AromaticContact NE1-CG 3.77Å; W667-I690 HydrophobicContact CB-CG1 3.7Å |
| 668 | F | 83.1 | Confident | 81.3 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 20% | 0.202 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 173 | -175 | -97.4 | 0 | 0 | 0 | 111.7 | T616 I620 A664 D665 I666 G671 A672 W762 | T616-F668 HydrophobicContact CG2-CE1 4.29Å; I620-F668 HydrophobicContact CD1-CD1 3.57Å; I620-F668 HydrophobicContact CD1-CE1 3.56Å; A664-F668 WeakPolarHBondContact O-CB 3.34Å; A664-F668 PolarHBondContact O-N 3.48Å; D665-F668 WeakPolarHBondContact O-CB 3.33Å; D665-F668 PolarHBondContact O-N 3.4Å; I666-F668 VanDerWaalsContact C-N 3.3Å; I666-F668 PolarHBondContact O-N 3.33Å; F668-G671 PolarHBondContact O-N 3.23Å; F668-A672 PolarHBondContact O-N 2.94Å; F668-W762 AromaticContact CD2-CE3 3.91Å; F668-W762 HydrophobicContact CD2-CE3 3.91Å; F668-W762 AromaticContact CD2-CZ3 3.64Å; F668-W762 HydrophobicContact CD2-CZ3 3.64Å; F668-W762 AromaticContact CE2-CE3 3.94Å; F668-W762 HydrophobicContact CE2-CE3 3.94Å; F668-W762 AromaticContact CE2-CZ3 3.89Å; F668-W762 HydrophobicContact CE2-CZ3 3.89Å |
| 669 | I | 82.8 | Confident | 80.4 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 29% | 0.292 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.3 | -62.9 | -64 | 0 | 0 | 0 | 111.2 | Y617 I620 D665 I666 G671 A672 A673 | Y617-I669 HydrophobicContact CD1-CD1 3.73Å; Y617-I669 HydrophobicContact CE1-CD1 3.83Å; I620-I669 HydrophobicContact CD1-CD1 4.5Å; I620-I669 HydrophobicContact CG2-CD1 4.13Å; I620-I669 HydrophobicContact CG2-CG1 4.16Å; D665-I669 WeakPolarHBondContact O-CG1 3.46Å; D665-I669 PolarHBondContact O-N 3.19Å; D665-I669 VanDerWaalsContact O-N 3.12Å; I666-I669 PolarHBondContact O-N 3.1Å; I669-G671 VanDerWaalsContact C-N 3.34Å; I669-G671 PolarHBondContact O-N 3.01Å; I669-A672 PolarHBondContact O-N 3.48Å; I669-A673 PolarHBondContact O-N 3.2Å |
| 670 | I | 84.8 | Confident | 79.3 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 32% | 0.323 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 176 | -70.1 | 171.6 | 0 | 0 | 0 | 110.7 | I666 W667 A672 A673 I674 | I666-I670 HydrophobicContact CG2-CD1 3.67Å; I666-I670 HydrophobicContact CG2-CG1 4.42Å; I666-I670 VanDerWaalsContact O-CG1 3.32Å; I666-I670 WeakPolarHBondContact O-CG1 3.43Å; I666-I670 PolarHBondContact O-N 3.33Å; W667-I670 HydrophobicContact CE3-CB 4.37Å; W667-I670 HydrophobicContact CE3-CG2 4.03Å; W667-I670 HydrophobicContact CZ3-CG2 4.11Å; W667-I670 PolarHBondContact O-N 3.04Å; I670-A672 VanDerWaalsContact C-N 3.34Å; I670-A672 PolarHBondContact O-N 2.85Å; I670-A673 PolarHBondContact O-N 3.01Å; I670-A673 VanDerWaalsContact O-N 3.13Å; I670-I674 HydrophobicContact CG2-CD1 3.39Å; I670-I674 HydrophobicContact CG2-CG1 4.08Å; I670-I674 WeakPolarHBondContact O-CB 3.46Å; I670-I674 VanDerWaalsContact O-CG1 3.26Å; I670-I674 WeakPolarHBondContact O-CG1 3.37Å; I670-I674 PolarHBondContact O-N 3.04Å |
| 671 | G | 80.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W667 F668 I669 A673 S675 C761 | W667-G671 PolarHBondContact O-N 3.01Å; F668-G671 PolarHBondContact O-N 3.23Å; I669-G671 VanDerWaalsContact C-N 3.34Å; I669-G671 PolarHBondContact O-N 3.01Å; G671-A673 VanDerWaalsContact C-N 3.34Å; G671-S675 PolarHBondContact O-N 2.91Å; G671-S675 VanDerWaalsContact O-N 3.09Å; G671-C761 PolarHBondContact O-SG 3.32Å; G671-C761 VanDerWaalsContact O-SG 3.33Å |
| 672 | A | 74.6 | Confident | 78.2 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70 | -28.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | F668 I669 I670 S675 | F668-A672 PolarHBondContact O-N 2.94Å; I669-A672 PolarHBondContact O-N 3.48Å; I670-A672 VanDerWaalsContact C-N 3.34Å; I670-A672 PolarHBondContact O-N 2.85Å; A672-S675 PolarHBondContact O-OG 3.2Å |
| 673 | A | 76.5 | Confident | 77.7 | Confident | 59 Ų | 59 | 53.2 Ų | 53.2 | 49% | 0.488 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -78.8 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I669 I670 G671 | I669-A673 PolarHBondContact O-N 3.2Å; I670-A673 PolarHBondContact O-N 3.01Å; I670-A673 VanDerWaalsContact O-N 3.13Å; G671-A673 VanDerWaalsContact C-N 3.34Å |
| 674 | I | 77.3 | Confident | 77.3 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.195 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.4 | -29 | -178.8 | -70.3 | 175 | 0 | 0 | 0 | 111.8 | I670 N676 T677 A682 | I670-I674 HydrophobicContact CG2-CD1 3.39Å; I670-I674 HydrophobicContact CG2-CG1 4.08Å; I670-I674 WeakPolarHBondContact O-CB 3.46Å; I670-I674 VanDerWaalsContact O-CG1 3.26Å; I670-I674 WeakPolarHBondContact O-CG1 3.37Å; I670-I674 PolarHBondContact O-N 3.04Å; I674-N676 PolarHBondContact O-N 3.44Å; I674-N676 VanDerWaalsContact O-N 3.07Å; I674-T677 PolarHBondContact O-N 3.2Å; I674-T677 PolarHBondContact O-OG1 3.34Å; I674-A682 HydrophobicContact CD1-CB 4.36Å; I674-A682 HydrophobicContact CG2-CB 3.9Å |
| 675 | S | 65.3 | Low | 77.2 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -57.3 | -24.3 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | G671 A672 T677 | G671-S675 PolarHBondContact O-N 2.91Å; G671-S675 VanDerWaalsContact O-N 3.09Å; A672-S675 PolarHBondContact O-OG 3.2Å; S675-T677 VanDerWaalsContact C-N 3.3Å; S675-T677 PolarHBondContact O-N 3.49Å |
| 676 | N | 60 | Low | 77.3 | Confident | 136 Ų | 136 | 54.4 Ų | 54.4 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -80.3 | -4.8 | 175.4 | -62.5 | -41.5 | 0 | 0 | 0 | 114.4 | I674 | I674-N676 PolarHBondContact O-N 3.44Å; I674-N676 VanDerWaalsContact O-N 3.07Å |
| 677 | T | 59.6 | Low | 77.2 | Confident | 87 Ų | 87 | 51.2 Ų | 51.2 | 53% | 0.534 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -110.5 | 4.3 | -171.7 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | I674 S675 S679 | I674-T677 PolarHBondContact O-N 3.2Å; I674-T677 PolarHBondContact O-OG1 3.34Å; S675-T677 VanDerWaalsContact C-N 3.3Å; S675-T677 PolarHBondContact O-N 3.49Å; T677-S679 PolarHBondContact O-N 3Å; T677-S679 VanDerWaalsContact O-N 3.08Å; T677-S679 PolarHBondContact OG1-OG 2.82Å |
| 678 | N | 59.9 | Low | 77.2 | Confident | 145 Ų | 145 | 50 Ų | 50 | 78% | 0.775 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 25.8 | 177.1 | -63.6 | -18.6 | 0 | 0 | 0 | 115.9 | A680 | N678-A680 PolarHBondContact O-N 2.85Š|
| 679 | S | 71.4 | Confident | 77.7 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | trans | -95 | 92 | -179.1 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | T677 A682 C683 | T677-S679 PolarHBondContact O-N 3Å; T677-S679 VanDerWaalsContact O-N 3.08Å; T677-S679 PolarHBondContact OG1-OG 2.82Å; S679-A682 PolarHBondContact O-N 3.5Å; S679-A682 WeakPolarHBondContact OG-CB 3.42Å; S679-C683 PolarHBondContact O-N 3.49Å | ||
| 680 | A | 70.6 | Confident | 78 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.8 | -44.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N678 A682 C683 T684 | N678-A680 PolarHBondContact O-N 2.85Å; A680-A682 VanDerWaalsContact C-N 3.34Å; A680-A682 PolarHBondContact O-N 3.43Å; A680-C683 PolarHBondContact O-N 3.34Å; A680-T684 PolarHBondContact O-N 3.22Å; A680-T684 PolarHBondContact O-OG1 2.87Å; A680-T684 VanDerWaalsContact O-OG1 3.12Å |
| 681 | P | 79.1 | Confident | 78.2 | Confident | 107 Ų | 107 | 45.5 Ų | 45.5 | 70% | 0.695 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.1 | -35.7 | 178.8 | -22.3 | 34.3 | 0 | 0 | 0 | 113.6 | A685 | P681-A685 WeakPolarHBondContact O-CB 3.37Å; P681-A685 PolarHBondContact O-N 2.89Å |
| 682 | A | 79.4 | Confident | 78.8 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.4 | -37.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I674 S679 A680 A685 A686 | I674-A682 HydrophobicContact CD1-CB 4.36Å; I674-A682 HydrophobicContact CG2-CB 3.9Å; S679-A682 PolarHBondContact O-N 3.5Å; S679-A682 WeakPolarHBondContact OG-CB 3.42Å; A680-A682 VanDerWaalsContact C-N 3.34Å; A680-A682 PolarHBondContact O-N 3.43Å; A682-A685 PolarHBondContact O-N 3.21Å; A682-A686 WeakPolarHBondContact O-CB 3.38Å; A682-A686 PolarHBondContact O-N 3.28Å |
| 683 | C | 81.7 | Confident | 79.7 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 10% | 0.101 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 176.3 | -160.9 | 0 | 0 | 0 | 0 | 112.4 | S679 A680 A686 T687 C761 | S679-C683 PolarHBondContact O-N 3.49Å; A680-C683 PolarHBondContact O-N 3.34Å; C683-A686 PolarHBondContact O-N 2.94Å; C683-T687 WeakPolarHBondContact O-CB 3.3Å; C683-T687 PolarHBondContact O-N 3.09Å; C683-T687 PolarHBondContact O-OG1 3.14Å; C683-C761 WeakPolarHBondContact CA-SG 3.45Å; C683-C761 HydrophobicContact CB-CB 4.11Å; C683-C761 WeakPolarHBondContact CB-SG 3.47Å; C683-C761 WeakPolarHBondContact SG-CA 3.43Å; C683-C761 WeakPolarHBondContact SG-CB 3.3Å; C683-C761 CovalentContact SG-SG 2.04Å; C683-C761 PolarHBondContact SG-SG 2.79Å |
| 684 | T | 84.3 | Confident | 80.4 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 172.7 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | A680 T687 F688 I745 Y754 | A680-T684 PolarHBondContact O-N 3.22Å; A680-T684 PolarHBondContact O-OG1 2.87Å; A680-T684 VanDerWaalsContact O-OG1 3.12Å; T684-T687 PolarHBondContact O-N 2.91Å; T684-F688 WeakPolarHBondContact O-CB 3.23Å; T684-F688 PolarHBondContact O-N 3.37Å; T684-I745 HydrophobicContact CG2-CD1 4.04Å; T684-Y754 HydrophobicContact CG2-CD1 4.13Å |
| 685 | A | 86.9 | Confident | 81 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P681 A682 T687 F688 F689 | P681-A685 WeakPolarHBondContact O-CB 3.37Å; P681-A685 PolarHBondContact O-N 2.89Å; A682-A685 PolarHBondContact O-N 3.21Å; A685-T687 PolarHBondContact O-N 3.19Å; A685-F688 PolarHBondContact O-N 2.89Å; A685-F689 WeakPolarHBondContact O-CD2 3.31Å; A685-F689 PolarHBondContact O-N 2.96Å; A685-F689 VanDerWaalsContact O-N 3.1Å |
| 686 | A | 86.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | W667 A682 C683 F688 F689 I690 C761 | W667-A686 HydrophobicContact CE3-CB 3.87Å; W667-A686 HydrophobicContact CZ3-CB 4.12Å; A682-A686 WeakPolarHBondContact O-CB 3.38Å; A682-A686 PolarHBondContact O-N 3.28Å; C683-A686 PolarHBondContact O-N 2.94Å; A686-F688 VanDerWaalsContact C-N 3.31Å; A686-F688 PolarHBondContact O-N 3.38Å; A686-F689 PolarHBondContact O-N 3.41Å; A686-I690 WeakPolarHBondContact O-CB 3.34Å; A686-I690 WeakPolarHBondContact O-CD1 3.45Å; A686-I690 WeakPolarHBondContact O-CG1 3.42Å; A686-I690 PolarHBondContact O-N 2.87Å; A686-C761 HydrophobicContact CB-CB 4.28Å |
| 687 | T | 87.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 178 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | C683 T684 A685 H691 Y754 I755 C761 W762 L763 | C683-T687 WeakPolarHBondContact O-CB 3.3Å; C683-T687 PolarHBondContact O-N 3.09Å; C683-T687 PolarHBondContact O-OG1 3.14Å; T684-T687 PolarHBondContact O-N 2.91Å; A685-T687 PolarHBondContact O-N 3.19Å; T687-H691 VanDerWaalsContact O-CB 3.3Å; T687-H691 WeakPolarHBondContact O-CB 3.36Å; T687-H691 PolarHBondContact O-N 3.2Å; T687-Y754 HydrophobicContact CG2-CD1 4.24Å; T687-Y754 HydrophobicContact CG2-CE1 3.77Å; T687-I755 HydrophobicContact CG2-CG2 4.45Å; T687-C761 PolarHBondContact OG1-O 3.23Å; T687-W762 PolarHBondContact OG1-N 3.46Å; T687-L763 HydrophobicContact CG2-CD2 4.47Å; T687-L763 HydrophobicContact CG2-CG 4.2Å |
| 688 | F | 90.6 | Very high | 85.3 | Confident | 40 Ų | 40 | 31.7 Ų | 31.7 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 176.7 | 175.1 | -94.3 | 0 | 0 | 0 | 112.5 | T684 A685 A686 H691 F692 L738 A741 T742 I745 Y754 | T684-F688 WeakPolarHBondContact O-CB 3.23Å; T684-F688 PolarHBondContact O-N 3.37Å; A685-F688 PolarHBondContact O-N 2.89Å; A686-F688 VanDerWaalsContact C-N 3.31Å; A686-F688 PolarHBondContact O-N 3.38Å; F688-H691 PolarHBondContact O-N 3.47Å; F688-F692 WeakPolarHBondContact O-CB 3.37Å; F688-F692 PolarHBondContact O-N 3.48Å; F688-L738 HydrophobicContact CZ-CD1 4.21Å; F688-A741 HydrophobicContact CD2-CB 4.45Å; F688-A741 HydrophobicContact CE2-CB 3.96Å; F688-T742 HydrophobicContact CE2-CG2 4.29Å; F688-T742 HydrophobicContact CZ-CG2 4.41Å; F688-I745 HydrophobicContact CD2-CD1 4.29Å; F688-I745 HydrophobicContact CD2-CG2 4.42Å; F688-I745 HydrophobicContact CE2-CG2 4.48Å; F688-Y754 WeakPolarHBondContact CA-OH 3.34Å; F688-Y754 HydrophobicContact CB-CE1 4.45Å |
| 689 | F | 91.8 | Very high | 87 | Confident | 70 Ų | 70 | 25.9 Ų | 25.9 | 31% | 0.307 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.1 | -42.8 | -180 | -75.2 | -63.2 | 0 | 0 | 0 | 111.9 | W667 A685 A686 F692 F693 | W667-F689 HydrophobicContact CB-CB 4.36Å; W667-F689 HydrophobicContact CD2-CB 3.82Å; W667-F689 HydrophobicContact CD2-CD2 4.04Å; W667-F689 HydrophobicContact CD2-CG 4.19Å; W667-F689 AromaticContact CE2-CD2 3.55Å; W667-F689 AromaticContact CE2-CG 3.73Å; W667-F689 HydrophobicContact CE3-CD2 4.33Å; W667-F689 HydrophobicContact CG-CB 3.71Å; W667-F689 HydrophobicContact CG-CG 4.48Å; W667-F689 AromaticContact CH2-CD2 3.72Å; W667-F689 HydrophobicContact CH2-CD2 3.72Å; W667-F689 AromaticContact CH2-CE2 3.98Å; W667-F689 HydrophobicContact CH2-CE2 3.98Å; W667-F689 AromaticContact CZ2-CD2 3.39Å; W667-F689 HydrophobicContact CZ2-CD2 3.39Å; W667-F689 AromaticContact CZ2-CE2 3.69Å; W667-F689 HydrophobicContact CZ2-CE2 3.69Å; W667-F689 HydrophobicContact CZ2-CG 4.02Å; W667-F689 HydrophobicContact CZ2-CZ 4.49Å; W667-F689 HydrophobicContact CZ3-CD2 4.18Å; W667-F689 AromaticContact NE1-CG 3.77Å; A685-F689 WeakPolarHBondContact O-CD2 3.31Å; A685-F689 PolarHBondContact O-N 2.96Å; A685-F689 VanDerWaalsContact O-N 3.1Å; A686-F689 PolarHBondContact O-N 3.41Å; F689-F692 PolarHBondContact O-N 3.41Å; F689-F693 HydrophobicContact CB-CD2 4.35Å; F689-F693 HydrophobicContact CD1-CD2 4.34Å; F689-F693 AromaticContact CD1-CE2 3.83Å; F689-F693 HydrophobicContact CD1-CE2 3.83Å; F689-F693 WeakPolarHBondContact O-CB 3.4Å; F689-F693 VanDerWaalsContact O-CD2 3.23Å; F689-F693 WeakPolarHBondContact O-CD2 2.99Å; F689-F693 PolarHBondContact O-N 3.08Å |
| 690 | I | 88.9 | Confident | 88 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53.6 | -55.4 | 172.7 | -74.5 | 171 | 0 | 0 | 0 | 110.6 | W667 A686 F692 F693 Y694 C761 W762 | W667-I690 HydrophobicContact CB-CG1 3.7Å; A686-I690 WeakPolarHBondContact O-CB 3.34Å; A686-I690 WeakPolarHBondContact O-CD1 3.45Å; A686-I690 WeakPolarHBondContact O-CG1 3.42Å; A686-I690 PolarHBondContact O-N 2.87Å; I690-F692 PolarHBondContact O-N 3.49Å; I690-F693 PolarHBondContact O-N 3.35Å; I690-Y694 HydrophobicContact CG2-CD2 3.78Å; I690-Y694 HydrophobicContact CG2-CE2 3.98Å; I690-Y694 WeakPolarHBondContact O-CB 3.44Å; I690-Y694 VanDerWaalsContact O-CD2 3.3Å; I690-Y694 WeakPolarHBondContact O-CD2 3.24Å; I690-Y694 PolarHBondContact O-N 3.48Å; I690-C761 WeakPolarHBondContact CD1-O 3.36Å; I690-W762 HydrophobicContact CB-CZ3 4.31Å; I690-W762 HydrophobicContact CD1-CE3 4.32Å; I690-W762 HydrophobicContact CG2-CD2 4.39Å; I690-W762 HydrophobicContact CG2-CE3 3.4Å; I690-W762 VanDerWaalsContact CG2-CE3 3.4Å; I690-W762 HydrophobicContact CG2-CH2 3.45Å; I690-W762 VanDerWaalsContact CG2-CH2 3.45Å; I690-W762 HydrophobicContact CG2-CZ2 4.42Å; I690-W762 HydrophobicContact CG2-CZ3 2.89Å |
| 691 | H | 89.8 | Confident | 88.9 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | -178.5 | 176.7 | -162.2 | 0 | 0 | 0 | 111.3 | T687 F688 L695 L763 | T687-H691 VanDerWaalsContact O-CB 3.3Å; T687-H691 WeakPolarHBondContact O-CB 3.36Å; T687-H691 PolarHBondContact O-N 3.2Å; F688-H691 PolarHBondContact O-N 3.47Å; H691-L695 VanDerWaalsContact O-CB 3.23Å; H691-L695 WeakPolarHBondContact O-CB 3.19Å; H691-L695 PolarHBondContact O-N 2.91Å; H691-L763 HydrophobicContact CB-CD1 4.03Å; H691-L763 HydrophobicContact CB-CG 4.48Å |
| 692 | F | 93.8 | Very high | 89.5 | Confident | 24 Ų | 24 | 17.1 Ų | 17.1 | 11% | 0.105 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | -178.6 | 170.1 | -121.2 | 0 | 0 | 0 | 112.6 | F688 F689 I690 L695 A696 Y734 P737 L738 A741 | F688-F692 WeakPolarHBondContact O-CB 3.37Å; F688-F692 PolarHBondContact O-N 3.48Å; F689-F692 PolarHBondContact O-N 3.41Å; I690-F692 PolarHBondContact O-N 3.49Å; F692-L695 PolarHBondContact O-N 3.43Å; F692-A696 WeakPolarHBondContact O-CB 3.2Å; F692-A696 PolarHBondContact O-N 3.08Å; F692-Y734 HydrophobicContact CE2-CD1 4.49Å; F692-Y734 AromaticContact CZ-CD1 3.85Å; F692-Y734 HydrophobicContact CZ-CD1 3.85Å; F692-P737 HydrophobicContact CD2-CB 3.95Å; F692-P737 HydrophobicContact CE2-CB 3.97Å; F692-L738 HydrophobicContact CD2-CB 4.23Å; F692-L738 HydrophobicContact CD2-CD1 4.35Å; F692-L738 HydrophobicContact CE2-CB 3.71Å; F692-L738 HydrophobicContact CE2-CD1 4.21Å; F692-L738 HydrophobicContact CZ-CB 4.48Å; F692-A741 HydrophobicContact CB-CB 4.24Å |
| 693 | F | 93.6 | Very high | 90 | Very high | 27 Ų | 27 | 16.1 Ų | 16.1 | 12% | 0.118 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -76.6 | -34.5 | -173.8 | -78.5 | -69.3 | 0 | 0 | 0 | 113.3 | I663 A664 F689 I690 L695 A696 L697 Y734 | I663-F693 HydrophobicContact CB-CD1 4.21Å; I663-F693 HydrophobicContact CB-CD2 4.16Å; I663-F693 HydrophobicContact CB-CE1 4.36Å; I663-F693 HydrophobicContact CB-CE2 4.32Å; I663-F693 HydrophobicContact CB-CG 4.11Å; I663-F693 HydrophobicContact CB-CZ 4.42Å; I663-F693 HydrophobicContact CD1-CD1 4.33Å; I663-F693 HydrophobicContact CD1-CE1 3.76Å; I663-F693 HydrophobicContact CD1-CZ 3.88Å; I663-F693 HydrophobicContact CG2-CD1 4.22Å; I663-F693 HydrophobicContact CG2-CD2 3.36Å; I663-F693 HydrophobicContact CG2-CE1 4.2Å; I663-F693 HydrophobicContact CG2-CE2 3.34Å; I663-F693 HydrophobicContact CG2-CG 3.83Å; I663-F693 HydrophobicContact CG2-CZ 3.79Å; A664-F693 HydrophobicContact CB-CB 3.9Å; F689-F693 HydrophobicContact CB-CD2 4.35Å; F689-F693 HydrophobicContact CD1-CD2 4.34Å; F689-F693 AromaticContact CD1-CE2 3.83Å; F689-F693 HydrophobicContact CD1-CE2 3.83Å; F689-F693 WeakPolarHBondContact O-CB 3.4Å; F689-F693 VanDerWaalsContact O-CD2 3.23Å; F689-F693 WeakPolarHBondContact O-CD2 2.99Å; F689-F693 PolarHBondContact O-N 3.08Å; I690-F693 PolarHBondContact O-N 3.35Å; F693-L695 VanDerWaalsContact C-N 3.32Å; F693-A696 PolarHBondContact O-N 3.3Å; F693-L697 WeakPolarHBondContact O-CB 3.22Å; F693-L697 PolarHBondContact O-N 2.83Å; F693-Y734 HydrophobicContact CE1-CE1 4.46Å |
| 694 | Y | 90.2 | Very high | 90.2 | Very high | 19 Ų | 19 | 16 Ų | 16 | 8% | 0.075 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 169.5 | -84 | -59 | 0 | 0 | 0 | 111.6 | L661 A664 D665 I690 L697 F698 W762 W832 | L661-Y694 HydrophobicContact CD1-CD1 4.49Å; L661-Y694 HydrophobicContact CD1-CE1 3.9Å; A664-Y694 HydrophobicContact CB-CD1 3.92Å; A664-Y694 HydrophobicContact CB-CD2 3.83Å; A664-Y694 HydrophobicContact CB-CE1 3.92Å; A664-Y694 HydrophobicContact CB-CE2 3.83Å; A664-Y694 HydrophobicContact CB-CG 3.87Å; D665-Y694 PolarHBondContact OD1-OH 2.89Å; I690-Y694 HydrophobicContact CG2-CD2 3.78Å; I690-Y694 HydrophobicContact CG2-CE2 3.98Å; I690-Y694 WeakPolarHBondContact O-CB 3.44Å; I690-Y694 VanDerWaalsContact O-CD2 3.3Å; I690-Y694 WeakPolarHBondContact O-CD2 3.24Å; I690-Y694 PolarHBondContact O-N 3.48Å; Y694-L697 HydrophobicContact CD1-CD2 4.3Å; Y694-L697 WeakPolarHBondContact O-CB 3.19Å; Y694-L697 PolarHBondContact O-N 2.89Å; Y694-F698 WeakPolarHBondContact O-CD2 3.33Å; Y694-F698 PolarHBondContact O-N 2.98Å; Y694-W762 AromaticContact CD2-CH2 3.72Å; Y694-W762 HydrophobicContact CD2-CH2 3.72Å; Y694-W762 HydrophobicContact CD2-CZ3 4.14Å; Y694-W762 AromaticContact CE2-CH2 3.78Å; Y694-W762 HydrophobicContact CE2-CH2 3.78Å; Y694-W762 AromaticContact CE2-CZ3 3.87Å; Y694-W762 HydrophobicContact CE2-CZ3 3.87Å; Y694-W832 HydrophobicContact CD1-CH2 4.21Å; Y694-W832 HydrophobicContact CD1-CZ2 4.42Å; Y694-W832 HydrophobicContact CE1-CH2 4.19Å; Y694-W832 HydrophobicContact CE1-CZ2 4.38Å |
| 695 | L | 90.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 175.8 | -168.7 | 59.8 | 0 | 0 | 0 | 111.2 | H691 F692 F693 L697 F698 F699 P737 I740 F774 P777 | H691-L695 VanDerWaalsContact O-CB 3.23Å; H691-L695 WeakPolarHBondContact O-CB 3.19Å; H691-L695 PolarHBondContact O-N 2.91Å; F692-L695 PolarHBondContact O-N 3.43Å; F693-L695 VanDerWaalsContact C-N 3.32Å; L695-L697 VanDerWaalsContact C-N 3.27Å; L695-L697 PolarHBondContact O-N 2.99Å; L695-F698 PolarHBondContact O-N 3.43Å; L695-F699 HydrophobicContact CD1-CD2 4.12Å; L695-F699 HydrophobicContact CD1-CE2 3.79Å; L695-F699 HydrophobicContact CD2-CE2 4.4Å; L695-F699 HydrophobicContact CG-CD2 3.99Å; L695-F699 HydrophobicContact CG-CE2 3.83Å; L695-F699 WeakPolarHBondContact O-CD2 3.44Å; L695-F699 PolarHBondContact O-N 3Å; L695-P737 HydrophobicContact CB-CB 4.07Å; L695-P737 HydrophobicContact CD2-CB 4.1Å; L695-P737 HydrophobicContact CG-CB 3.92Å; L695-P737 HydrophobicContact CG-CG 4.45Å; L695-I740 HydrophobicContact CD2-CB 3.72Å; L695-I740 HydrophobicContact CD2-CD1 3.96Å; L695-I740 HydrophobicContact CD2-CG1 4.44Å; L695-I740 HydrophobicContact CD2-CG2 3.65Å; L695-F774 HydrophobicContact CB-CD2 4.48Å; L695-F774 HydrophobicContact CD1-CD2 4.43Å; L695-P777 HydrophobicContact CD1-CB 3.94Å |
| 696 | A | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.9 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F692 F693 F698 F699 W700 G733 Y734 P737 | F692-A696 WeakPolarHBondContact O-CB 3.2Å; F692-A696 PolarHBondContact O-N 3.08Å; F693-A696 PolarHBondContact O-N 3.3Å; A696-F698 PolarHBondContact O-N 3.12Å; A696-F699 PolarHBondContact O-N 3.48Å; A696-W700 WeakPolarHBondContact O-CB 3.23Å; A696-W700 PolarHBondContact O-N 2.91Å; A696-G733 WeakPolarHBondContact CA-O 3.37Å; A696-G733 WeakPolarHBondContact CB-O 3.47Å; A696-Y734 HydrophobicContact CB-CD1 3.83Å; A696-Y734 HydrophobicContact CB-CE1 3.9Å; A696-P737 HydrophobicContact CB-CB 4.21Å; A696-P737 HydrophobicContact CB-CG 4.05Å |
| 697 | L | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -53.4 | -50.3 | 171.7 | 167.3 | 67.7 | 0 | 0 | 0 | 111.6 | I657 L661 F693 Y694 L695 W700 M701 | I657-L697 HydrophobicContact CB-CD1 4.22Å; I657-L697 HydrophobicContact CG2-CD1 3.54Å; L661-L697 HydrophobicContact CB-CD1 4.14Å; L661-L697 HydrophobicContact CB-CD2 4.16Å; L661-L697 HydrophobicContact CD1-CD2 3.8Å; L661-L697 HydrophobicContact CG-CD2 4.37Å; F693-L697 WeakPolarHBondContact O-CB 3.22Å; F693-L697 PolarHBondContact O-N 2.83Å; Y694-L697 HydrophobicContact CD1-CD2 4.3Å; Y694-L697 WeakPolarHBondContact O-CB 3.19Å; Y694-L697 PolarHBondContact O-N 2.89Å; L695-L697 VanDerWaalsContact C-N 3.27Å; L695-L697 PolarHBondContact O-N 2.99Å; L697-W700 PolarHBondContact O-N 3.28Å; L697-M701 HydrophobicContact CG-CE 4.11Å; L697-M701 WeakPolarHBondContact O-CG 3.4Å; L697-M701 PolarHBondContact O-N 3.06Å |
| 698 | F | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.8 | -76.5 | -77.1 | 0 | 0 | 0 | 113.2 | Y694 L695 A696 W700 M701 L702 F774 A778 I781 V782 W832 | Y694-F698 WeakPolarHBondContact O-CD2 3.33Å; Y694-F698 PolarHBondContact O-N 2.98Å; L695-F698 PolarHBondContact O-N 3.43Å; A696-F698 PolarHBondContact O-N 3.12Å; F698-W700 VanDerWaalsContact C-N 3.31Å; F698-W700 PolarHBondContact O-N 3.41Å; F698-M701 HydrophobicContact CB-CE 4.31Å; F698-M701 HydrophobicContact CD1-CE 3.29Å; F698-M701 HydrophobicContact CE1-CE 3.68Å; F698-M701 HydrophobicContact CG-CE 3.86Å; F698-M701 HydrophobicContact CZ-CE 4.5Å; F698-M701 WeakPolarHBondContact O-CB 3.44Å; F698-M701 PolarHBondContact O-N 3.48Å; F698-M701 VanDerWaalsContact O-N 3.15Å; F698-L702 PolarHBondContact O-N 3.31Å; F698-F774 HydrophobicContact CD2-CE2 4.13Å; F698-F774 HydrophobicContact CD2-CZ 4.46Å; F698-F774 AromaticContact CE2-CE2 3.9Å; F698-F774 HydrophobicContact CE2-CE2 3.9Å; F698-F774 AromaticContact CE2-CZ 3.77Å; F698-F774 HydrophobicContact CE2-CZ 3.77Å; F698-A778 HydrophobicContact CD1-CB 4.27Å; F698-A778 HydrophobicContact CD2-CB 3.83Å; F698-A778 HydrophobicContact CE1-CB 4.13Å; F698-A778 HydrophobicContact CE2-CB 3.68Å; F698-A778 HydrophobicContact CG-CB 4.13Å; F698-A778 HydrophobicContact CZ-CB 3.81Å; F698-I781 HydrophobicContact CB-CD1 3.81Å; F698-I781 HydrophobicContact CB-CG2 4.32Å; F698-I781 HydrophobicContact CD1-CG2 4.46Å; F698-V782 HydrophobicContact CD1-CG2 4.42Å; F698-V782 HydrophobicContact CE1-CG2 3.95Å; F698-W832 HydrophobicContact CE1-CB 4.07Å; F698-W832 HydrophobicContact CE1-CD2 4.25Å; F698-W832 AromaticContact CE1-CG 3.85Å; F698-W832 HydrophobicContact CE1-CG 3.85Å; F698-W832 HydrophobicContact CE2-CD2 4.22Å; F698-W832 HydrophobicContact CE2-CE3 4.31Å; F698-W832 HydrophobicContact CZ-CB 3.96Å; F698-W832 AromaticContact CZ-CD1 3.92Å; F698-W832 AromaticContact CZ-CD2 3.4Å; F698-W832 HydrophobicContact CZ-CD2 3.4Å; F698-W832 VanDerWaalsContact CZ-CD2 3.4Å; F698-W832 AromaticContact CZ-CE2 3.8Å; F698-W832 AromaticContact CZ-CE3 3.76Å; F698-W832 HydrophobicContact CZ-CE3 3.76Å; F698-W832 AromaticContact CZ-CG 3.48Å; F698-W832 HydrophobicContact CZ-CG 3.48Å; F698-W832 VanDerWaalsContact CZ-CG 3.48Å; F698-W832 HydrophobicContact CZ-CZ2 4.46Å; F698-W832 HydrophobicContact CZ-CZ3 4.4Å |
| 699 | F | 94 | Very high | 89.5 | Confident | 23 Ų | 23 | 18.8 Ų | 18.8 | 10% | 0.101 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.3 | -33 | 179.1 | -84.4 | -90.8 | 0 | 0 | 0 | 112.8 | L695 A696 L702 A703 L732 A736 P737 I740 I781 | L695-F699 HydrophobicContact CD1-CD2 4.12Å; L695-F699 HydrophobicContact CD1-CE2 3.79Å; L695-F699 HydrophobicContact CD2-CE2 4.4Å; L695-F699 HydrophobicContact CG-CD2 3.99Å; L695-F699 HydrophobicContact CG-CE2 3.83Å; L695-F699 WeakPolarHBondContact O-CD2 3.44Å; L695-F699 PolarHBondContact O-N 3Å; A696-F699 PolarHBondContact O-N 3.48Å; F699-L702 WeakPolarHBondContact O-CB 3.4Å; F699-L702 PolarHBondContact O-N 3.06Å; F699-A703 WeakPolarHBondContact O-CB 3.32Å; F699-A703 PolarHBondContact O-N 3.33Å; F699-L732 WeakPolarHBondContact CB-O 3.14Å; F699-L732 HydrophobicContact CD1-CD1 3.76Å; F699-L732 HydrophobicContact CD1-CG 4.16Å; F699-L732 WeakPolarHBondContact CD1-O 3.36Å; F699-L732 HydrophobicContact CE1-CD1 4.12Å; F699-A736 HydrophobicContact CD1-CB 3.99Å; F699-A736 HydrophobicContact CE1-CB 3.58Å; F699-A736 HydrophobicContact CZ-CB 3.94Å; F699-P737 HydrophobicContact CB-CG 3.9Å; F699-P737 HydrophobicContact CD2-CB 4.44Å; F699-P737 HydrophobicContact CD2-CG 3.56Å; F699-P737 HydrophobicContact CE2-CG 4.22Å; F699-P737 HydrophobicContact CG-CG 3.82Å; F699-I740 HydrophobicContact CE2-CD1 3.99Å; F699-I740 HydrophobicContact CZ-CD1 3.89Å; F699-I781 HydrophobicContact CD1-CD1 4.34Å; F699-I781 HydrophobicContact CD2-CD1 3.82Å; F699-I781 HydrophobicContact CE1-CD1 4.38Å; F699-I781 HydrophobicContact CE2-CD1 3.89Å; F699-I781 HydrophobicContact CG-CD1 4.08Å; F699-I781 HydrophobicContact CZ-CD1 4.18Å |
| 700 | W | 93.1 | Very high | 89 | Confident | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.8 | -33.1 | 171.1 | -82 | 108.1 | 0 | 0 | 0 | 113.2 | N656 I657 A696 L697 F698 A703 S704 F730 G733 Y734 | N656-W700 HydrophobicContact CB-CD2 3.58Å; N656-W700 VanDerWaalsContact CB-CE2 3.43Å; N656-W700 HydrophobicContact CB-CE3 4.07Å; N656-W700 HydrophobicContact CB-CG 3.95Å; N656-W700 HydrophobicContact CB-CH2 4.26Å; N656-W700 HydrophobicContact CB-CZ2 3.8Å; N656-W700 HydrophobicContact CB-CZ3 4.38Å; I657-W700 HydrophobicContact CG1-CB 3.65Å; A696-W700 WeakPolarHBondContact O-CB 3.23Å; A696-W700 PolarHBondContact O-N 2.91Å; L697-W700 PolarHBondContact O-N 3.28Å; F698-W700 VanDerWaalsContact C-N 3.31Å; F698-W700 PolarHBondContact O-N 3.41Å; W700-A703 HydrophobicContact CE3-CB 4.28Å; W700-A703 PolarHBondContact O-N 2.76Å; W700-S704 WeakPolarHBondContact O-CB 3.44Å; W700-S704 PolarHBondContact O-N 2.74Å; W700-F730 HydrophobicContact CH2-CD1 4.11Å; W700-F730 AromaticContact CH2-CD2 3.94Å; W700-F730 HydrophobicContact CH2-CD2 3.94Å; W700-F730 HydrophobicContact CH2-CE1 4.18Å; W700-F730 HydrophobicContact CH2-CE2 4.04Å; W700-F730 AromaticContact CH2-CG 3.99Å; W700-F730 HydrophobicContact CH2-CG 3.99Å; W700-F730 HydrophobicContact CH2-CZ 4.16Å; W700-F730 AromaticContact CZ2-CD1 3.78Å; W700-F730 HydrophobicContact CZ2-CD1 3.78Å; W700-F730 HydrophobicContact CZ2-CD2 4.44Å; W700-F730 AromaticContact CZ2-CE1 3.93Å; W700-F730 HydrophobicContact CZ2-CE1 3.93Å; W700-F730 HydrophobicContact CZ2-CG 4.05Å; W700-F730 HydrophobicContact CZ2-CZ 4.35Å; W700-G733 PolarHBondContact NE1-O 3.17Å; W700-Y734 AromaticContact CE2-CD2 3.96Å; W700-Y734 AromaticContact CE2-CE2 3.66Å; W700-Y734 AromaticContact CZ2-CD2 3.85Å; W700-Y734 HydrophobicContact CZ2-CD2 3.85Å; W700-Y734 AromaticContact CZ2-CE2 3.64Å; W700-Y734 HydrophobicContact CZ2-CE2 3.64Å; W700-Y734 AromaticContact NE1-CD2 3.45Å; W700-Y734 AromaticContact NE1-CE1 3.82Å; W700-Y734 AromaticContact NE1-CE2 3.13Å; W700-Y734 AromaticContact NE1-CG 3.93Å; W700-Y734 AromaticContact NE1-CZ 3.33Å; W700-Y734 VanDerWaalsContact NE1-CZ 3.33Å |
| 701 | M | 90.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 169.5 | -71 | -171 | -64.5 | 0 | 0 | 111.3 | I657 L697 F698 S704 A705 G829 | I657-M701 HydrophobicContact CD1-CG 3.95Å; I657-M701 HydrophobicContact CG1-CG 4.28Å; L697-M701 HydrophobicContact CG-CE 4.11Å; L697-M701 WeakPolarHBondContact O-CG 3.4Å; L697-M701 PolarHBondContact O-N 3.06Å; F698-M701 HydrophobicContact CB-CE 4.31Å; F698-M701 HydrophobicContact CD1-CE 3.29Å; F698-M701 HydrophobicContact CE1-CE 3.68Å; F698-M701 HydrophobicContact CG-CE 3.86Å; F698-M701 HydrophobicContact CZ-CE 4.5Å; F698-M701 WeakPolarHBondContact O-CB 3.44Å; F698-M701 PolarHBondContact O-N 3.48Å; F698-M701 VanDerWaalsContact O-N 3.15Å; M701-S704 WeakPolarHBondContact O-CB 3.46Å; M701-S704 PolarHBondContact O-N 3.09Å; M701-A705 PolarHBondContact O-N 3.17Å; M701-G829 PolarHBondContact SD-N 2.99Å; M701-G829 VanDerWaalsContact SD-N 3.41Å |
| 702 | L | 90.9 | Very high | 87.7 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 9% | 0.089 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 172.5 | 179 | 62.9 | 0 | 0 | 0 | 111.7 | F698 F699 S704 A705 L706 L732 I781 I784 I788 | F698-L702 PolarHBondContact O-N 3.31Å; F699-L702 WeakPolarHBondContact O-CB 3.4Å; F699-L702 PolarHBondContact O-N 3.06Å; L702-S704 VanDerWaalsContact C-N 3.25Å; L702-S704 PolarHBondContact O-N 3.45Å; L702-A705 PolarHBondContact O-N 2.77Å; L702-A705 VanDerWaalsContact O-N 3.17Å; L702-L706 HydrophobicContact CD1-CD1 4.11Å; L702-L706 HydrophobicContact CD1-CG 4.09Å; L702-L706 HydrophobicContact CD2-CD1 4.48Å; L702-L706 HydrophobicContact CG-CD1 3.9Å; L702-L706 HydrophobicContact CG-CG 4.31Å; L702-L706 WeakPolarHBondContact O-CB 3.34Å; L702-L706 WeakPolarHBondContact O-CG 3.29Å; L702-L706 PolarHBondContact O-N 3.38Å; L702-L732 HydrophobicContact CD2-CD2 4.42Å; L702-I781 HydrophobicContact CB-CG2 3.91Å; L702-I781 HydrophobicContact CD2-CG1 4.27Å; L702-I784 HydrophobicContact CD1-CB 4.38Å; L702-I784 HydrophobicContact CD1-CG2 3.66Å; L702-I788 HydrophobicContact CD1-CD1 4.46Å |
| 703 | A | 89.7 | Confident | 86.7 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 11% | 0.107 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F699 W700 L707 L732 | F699-A703 WeakPolarHBondContact O-CB 3.32Å; F699-A703 PolarHBondContact O-N 3.33Å; W700-A703 HydrophobicContact CE3-CB 4.28Å; W700-A703 PolarHBondContact O-N 2.76Å; A703-L707 VanDerWaalsContact O-CB 3.31Å; A703-L707 WeakPolarHBondContact O-CB 3.47Å; A703-L707 PolarHBondContact O-N 3.47Å; A703-L732 HydrophobicContact CB-CD2 4.21Å |
| 704 | S | 85.9 | Confident | 85.3 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 174.8 | -172 | 0 | 0 | 0 | 0 | 112.2 | W700 M701 L702 L707 L708 | W700-S704 WeakPolarHBondContact O-CB 3.44Å; W700-S704 PolarHBondContact O-N 2.74Å; M701-S704 WeakPolarHBondContact O-CB 3.46Å; M701-S704 PolarHBondContact O-N 3.09Å; L702-S704 VanDerWaalsContact C-N 3.25Å; L702-S704 PolarHBondContact O-N 3.45Å; S704-L707 WeakPolarHBondContact O-CB 3.26Å; S704-L707 PolarHBondContact O-N 3.18Å; S704-L708 WeakPolarHBondContact O-CG 3.36Å; S704-L708 PolarHBondContact O-N 3Å; S704-L708 VanDerWaalsContact O-N 3.11Å |
| 705 | A | 86.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M701 L702 L707 L708 L709 N785 I788 F828 | M701-A705 PolarHBondContact O-N 3.17Å; L702-A705 PolarHBondContact O-N 2.77Å; L702-A705 VanDerWaalsContact O-N 3.17Å; A705-L707 VanDerWaalsContact C-N 3.33Å; A705-L707 PolarHBondContact O-N 3.3Å; A705-L708 WeakPolarHBondContact O-CB 3.37Å; A705-L708 PolarHBondContact O-N 2.91Å; A705-L708 VanDerWaalsContact O-N 3.14Å; A705-L709 PolarHBondContact O-N 3.49Å; A705-N785 VanDerWaalsContact CB-OD1 3.26Å; A705-N785 WeakPolarHBondContact CB-OD1 3.48Å; A705-I788 HydrophobicContact CB-CD1 3.96Å; A705-I788 HydrophobicContact CB-CG2 4.14Å; A705-I788 WeakPolarHBondContact O-CG2 3.34Å; A705-F828 HydrophobicContact CB-CD1 4.21Å; A705-F828 HydrophobicContact CB-CE1 4.01Å; A705-F828 HydrophobicContact CB-CZ 4.44Å |
| 706 | L | 87.8 | Confident | 81.5 | Confident | 72 Ų | 72 | 40 Ų | 40 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.7 | -71 | 172.8 | 0 | 0 | 0 | 112.1 | L702 L708 L709 Y710 L732 I788 | L702-L706 HydrophobicContact CD1-CD1 4.11Å; L702-L706 HydrophobicContact CD1-CG 4.09Å; L702-L706 HydrophobicContact CD2-CD1 4.48Å; L702-L706 HydrophobicContact CG-CD1 3.9Å; L702-L706 HydrophobicContact CG-CG 4.31Å; L702-L706 WeakPolarHBondContact O-CB 3.34Å; L702-L706 WeakPolarHBondContact O-CG 3.29Å; L702-L706 PolarHBondContact O-N 3.38Å; L706-L708 VanDerWaalsContact C-N 3.29Å; L706-L708 PolarHBondContact O-N 3.29Å; L706-L709 PolarHBondContact O-N 3.01Å; L706-Y710 VanDerWaalsContact O-CB 3.3Å; L706-Y710 WeakPolarHBondContact O-CB 3.47Å; L706-Y710 PolarHBondContact O-N 3.35Å; L706-L732 HydrophobicContact CD1-CD2 4.11Å; L706-I788 HydrophobicContact CD2-CD1 3.77Å; L706-I788 HydrophobicContact CG-CD1 4.2Å |
| 707 | L | 83.1 | Confident | 79.4 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 9% | 0.094 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.3 | 178.9 | 65.2 | 0 | 0 | 0 | 111.7 | L649 R650 A703 S704 A705 R711 M725 | L649-L707 HydrophobicContact CB-CD1 4.34Å; L649-L707 HydrophobicContact CB-CD2 3.72Å; L649-L707 HydrophobicContact CD1-CD1 4.12Å; R650-L707 HydrophobicContact CB-CD2 4.46Å; A703-L707 VanDerWaalsContact O-CB 3.31Å; A703-L707 WeakPolarHBondContact O-CB 3.47Å; A703-L707 PolarHBondContact O-N 3.47Å; S704-L707 WeakPolarHBondContact O-CB 3.26Å; S704-L707 PolarHBondContact O-N 3.18Å; A705-L707 VanDerWaalsContact C-N 3.33Å; A705-L707 PolarHBondContact O-N 3.3Å; L707-R711 WeakPolarHBondContact O-CG 3.36Å; L707-R711 PolarHBondContact O-N 3.5Å; L707-M725 HydrophobicContact CD1-CE 4.1Å |
| 708 | L | 80.3 | Confident | 77.7 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 176.1 | -71.3 | 168.6 | 0 | 0 | 0 | 112.1 | S704 A705 L706 T712 L824 F828 | S704-L708 WeakPolarHBondContact O-CG 3.36Å; S704-L708 PolarHBondContact O-N 3Å; S704-L708 VanDerWaalsContact O-N 3.11Å; A705-L708 WeakPolarHBondContact O-CB 3.37Å; A705-L708 PolarHBondContact O-N 2.91Å; A705-L708 VanDerWaalsContact O-N 3.14Å; L706-L708 VanDerWaalsContact C-N 3.29Å; L706-L708 PolarHBondContact O-N 3.29Å; L708-T712 WeakPolarHBondContact O-CB 3.3Å; L708-T712 PolarHBondContact O-N 3.2Å; L708-T712 PolarHBondContact O-OG1 3.03Å; L708-L824 HydrophobicContact CD1-CD2 4.5Å; L708-F828 HydrophobicContact CD1-CE1 3.76Å; L708-F828 HydrophobicContact CD1-CZ 3.44Å; L708-F828 VanDerWaalsContact CD1-CZ 3.44Å |
| 709 | L | 83.4 | Confident | 76.3 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -52.2 | 174 | -176.2 | 65 | 0 | 0 | 0 | 111.5 | A705 L706 R711 T712 L713 I788 V791 V792 | A705-L709 PolarHBondContact O-N 3.49Å; L706-L709 PolarHBondContact O-N 3.01Å; L709-R711 PolarHBondContact O-N 3.23Å; L709-T712 WeakPolarHBondContact O-CB 3.27Å; L709-T712 PolarHBondContact O-N 3.28Å; L709-L713 HydrophobicContact CD1-CD1 3.74Å; L709-L713 HydrophobicContact CD1-CG 4.08Å; L709-L713 HydrophobicContact CD2-CD1 4.43Å; L709-L713 HydrophobicContact CG-CD1 3.83Å; L709-L713 HydrophobicContact CG-CG 4.4Å; L709-L713 WeakPolarHBondContact O-CG 3.42Å; L709-L713 PolarHBondContact O-N 3.42Å; L709-I788 HydrophobicContact CB-CG2 3.87Å; L709-I788 HydrophobicContact CD1-CG2 4.49Å; L709-I788 HydrophobicContact CD2-CG1 4.23Å; L709-V791 HydrophobicContact CD1-CB 4.38Å; L709-V791 HydrophobicContact CD1-CG1 3.79Å; L709-V792 HydrophobicContact CD1-CG2 4.2Å |
| 710 | Y | 82.5 | Confident | 75 | Confident | 68 Ų | 68 | 57.9 Ų | 57.9 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53 | -43.2 | -179.4 | 172.3 | -97.5 | 0 | 0 | 0 | 111.3 | L706 S714 G719 L720 M725 | L706-Y710 VanDerWaalsContact O-CB 3.3Å; L706-Y710 WeakPolarHBondContact O-CB 3.47Å; L706-Y710 PolarHBondContact O-N 3.35Å; Y710-S714 WeakPolarHBondContact CE2-OG 3.42Å; Y710-S714 WeakPolarHBondContact O-CB 3.29Å; Y710-S714 PolarHBondContact O-N 3.44Å; Y710-S714 PolarHBondContact O-OG 3.33Å; Y710-G719 WeakPolarHBondContact OH-CA 3.28Å; Y710-L720 HydrophobicContact CE2-CD1 4.18Å; Y710-L720 PolarHBondContact OH-N 3.05Å; Y710-M725 HydrophobicContact CD1-CE 3.36Å; Y710-M725 HydrophobicContact CE1-CE 3.32Å; Y710-M725 HydrophobicContact CE1-SD 4.3Å; Y710-M725 HydrophobicContact CG-CE 4.01Å |
| 711 | R | 74.9 | Confident | 74.2 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 26% | 0.26 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.3 | -32.3 | 177.6 | -73.4 | -176.8 | -178.8 | 167.5 | 3.5 | 114.3 | T646 L707 L709 L713 | T646-R711 VanDerWaalsContact CA-NH2 3.29Å; T646-R711 VanDerWaalsContact CG2-CZ 3.46Å; T646-R711 PolarHBondContact O-NH1 2.98Å; T646-R711 PolarHBondContact O-NH2 2.9Å; L707-R711 WeakPolarHBondContact O-CG 3.36Å; L707-R711 PolarHBondContact O-N 3.5Å; L709-R711 PolarHBondContact O-N 3.23Å; R711-L713 VanDerWaalsContact C-N 3.27Å |
| 712 | T | 75.3 | Confident | 73.4 | Confident | 16 Ų | 16 | 67 Ų | 67 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68 | -34.3 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | L708 L709 V792 K795 R799 | L708-T712 WeakPolarHBondContact O-CB 3.3Å; L708-T712 PolarHBondContact O-N 3.2Å; L708-T712 PolarHBondContact O-OG1 3.03Å; L709-T712 WeakPolarHBondContact O-CB 3.27Å; L709-T712 PolarHBondContact O-N 3.28Å; T712-V792 HydrophobicContact CG2-CG1 4.39Å; T712-V792 HydrophobicContact CG2-CG2 4.3Å; T712-K795 HydrophobicContact CG2-CB 3.77Å; T712-K795 HydrophobicContact CG2-CG 4.46Å; T712-R799 PolarHBondContact O-NH1 3.38Å |
| 713 | L | 74.4 | Confident | 72.8 | Confident | 93 Ų | 93 | 71.7 Ų | 71.7 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -92.4 | -34.8 | -177.7 | -61.8 | -179.7 | 0 | 0 | 0 | 114.2 | L709 R711 V715 | L709-L713 HydrophobicContact CD1-CD1 3.74Å; L709-L713 HydrophobicContact CD1-CG 4.08Å; L709-L713 HydrophobicContact CD2-CD1 4.43Å; L709-L713 HydrophobicContact CG-CD1 3.83Å; L709-L713 HydrophobicContact CG-CG 4.4Å; L709-L713 WeakPolarHBondContact O-CG 3.42Å; L709-L713 PolarHBondContact O-N 3.42Å; R711-L713 VanDerWaalsContact C-N 3.27Å; L713-V715 PolarHBondContact O-N 3.47Å |
| 714 | S | 64.1 | Low | 72.4 | Confident | 58 Ų | 58 | 73.9 Ų | 73.9 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | trans | -86 | 88.8 | -176.6 | -51.9 | 0 | 0 | 0 | 0 | 111 | Y710 | Y710-S714 WeakPolarHBondContact CE2-OG 3.42Å; Y710-S714 WeakPolarHBondContact O-CB 3.29Å; Y710-S714 PolarHBondContact O-N 3.44Å; Y710-S714 PolarHBondContact O-OG 3.33Å | ||
| 715 | V | 56.2 | Low | 72.1 | Confident | 94 Ų | 94 | 75 Ų | 75 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | trans | -102.7 | 1.4 | -178.8 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | L713 | L713-V715 PolarHBondContact O-N 3.47Š| ||
| 716 | F | 44.2 | Very low | 71.9 | Confident | 189 Ų | 189 | 77.4 Ų | 77.4 | 83% | 0.829 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -126.2 | 141.4 | -178.9 | -64.8 | -77.2 | 0 | 0 | 0 | 112.7 | G718 | F716-G718 PolarHBondContact O-N 3.5Š|
| 717 | D | 48.8 | Very low | 71.8 | Confident | 182 Ų | 182 | 78.4 Ų | 78.4 | 97% | 0.973 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -59.6 | 120.4 | -170.1 | -83.8 | -45.1 | 0 | 0 | 0 | 113.7 | ||
| 718 | G | 56.8 | Low | 71.9 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 79% | 0.794 | 46% | 0.455 | S | S | * | . | trans | 151.1 | 15.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F716 | F716-G718 PolarHBondContact O-N 3.5Š| ||
| 719 | G | 61 | Low | 72.2 | Confident | 52 Ų | 52 | 79.8 Ų | 79.8 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 163.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y710 | Y710-G719 WeakPolarHBondContact OH-CA 3.28Š|
| 720 | L | 66.6 | Low | 72.5 | Confident | 88 Ų | 88 | 81.7 Ų | 81.7 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -51 | 140.8 | 175.3 | -73.2 | 154.1 | 0 | 0 | 0 | 112.5 | Y710 T724 M725 | Y710-L720 HydrophobicContact CE2-CD1 4.18Å; Y710-L720 PolarHBondContact OH-N 3.05Å; L720-T724 HydrophobicContact CD2-CG2 3.84Å; L720-M725 HydrophobicContact CB-CG 3.7Å; L720-M725 HydrophobicContact CB-SD 4.3Å; L720-M725 HydrophobicContact CD1-CG 4.46Å |
| 721 | S | 75.9 | Confident | 72.9 | Confident | 74 Ų | 74 | 82 Ų | 82 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 147.1 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | L723 T724 M725 | S721-L723 PolarHBondContact O-N 3.38Å; S721-T724 WeakPolarHBondContact O-CB 3.27Å; S721-T724 PolarHBondContact O-N 2.99Å; S721-M725 PolarHBondContact O-N 2.9Å |
| 722 | K | 73.4 | Confident | 73.8 | Confident | 125 Ų | 125 | 80.9 Ų | 80.9 | 54% | 0.543 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -53.5 | -38.2 | 177.5 | -59.7 | 179.7 | -162.8 | 175.9 | 0 | 112.1 | L726 | K722-L726 WeakPolarHBondContact O-CB 3.29Å; K722-L726 PolarHBondContact O-N 3.41Å |
| 723 | L | 78.3 | Confident | 74.5 | Confident | 115 Ų | 115 | 80.1 Ų | 80.1 | 60% | 0.602 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.9 | -44.9 | 179.4 | -177.6 | 62.7 | 0 | 0 | 0 | 110.8 | S721 M725 L726 I727 | S721-L723 PolarHBondContact O-N 3.38Å; L723-M725 PolarHBondContact O-N 2.96Å; L723-L726 PolarHBondContact O-N 3.39Å; L723-I727 HydrophobicContact CD1-CD1 4.35Å; L723-I727 HydrophobicContact CG-CD1 4.03Å; L723-I727 WeakPolarHBondContact O-CG1 3.5Å; L723-I727 PolarHBondContact O-N 3Å |
| 724 | T | 80.4 | Confident | 75.5 | Confident | 59 Ų | 59 | 78 Ų | 78 | 36% | 0.362 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 177.8 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | L720 S721 L726 I727 I728 | L720-T724 HydrophobicContact CD2-CG2 3.84Å; S721-T724 WeakPolarHBondContact O-CB 3.27Å; S721-T724 PolarHBondContact O-N 2.99Å; T724-L726 VanDerWaalsContact C-N 3.3Å; T724-L726 PolarHBondContact O-N 3.29Å; T724-I727 PolarHBondContact O-N 3.48Å; T724-I728 HydrophobicContact CG2-CD1 4.01Å; T724-I728 VanDerWaalsContact O-CG1 3.27Å; T724-I728 WeakPolarHBondContact O-CG1 3.21Å; T724-I728 PolarHBondContact O-N 2.95Å |
| 725 | M | 80 | Confident | 76.9 | Confident | 36 Ų | 36 | 76.4 Ų | 76.4 | 18% | 0.177 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.1 | -33.4 | 176 | -62.8 | -171.8 | 105.7 | 0 | 0 | 112.6 | L649 L707 Y710 L720 S721 L723 G729 | L649-M725 HydrophobicContact CD1-CB 4.04Å; L649-M725 HydrophobicContact CD1-SD 3.76Å; L707-M725 HydrophobicContact CD1-CE 4.1Å; Y710-M725 HydrophobicContact CD1-CE 3.36Å; Y710-M725 HydrophobicContact CE1-CE 3.32Å; Y710-M725 HydrophobicContact CE1-SD 4.3Å; Y710-M725 HydrophobicContact CG-CE 4.01Å; L720-M725 HydrophobicContact CB-CG 3.7Å; L720-M725 HydrophobicContact CB-SD 4.3Å; L720-M725 HydrophobicContact CD1-CG 4.46Å; S721-M725 PolarHBondContact O-N 2.9Å; L723-M725 PolarHBondContact O-N 2.96Å; M725-G729 PolarHBondContact O-N 3.01Å |
| 726 | L | 82.4 | Confident | 78.6 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.8 | -45.2 | 176.1 | -169.7 | 149.3 | 0 | 0 | 0 | 111.2 | Y648 K722 L723 T724 I728 G729 F730 | Y648-L726 HydrophobicContact CE1-CD1 4.36Å; K722-L726 WeakPolarHBondContact O-CB 3.29Å; K722-L726 PolarHBondContact O-N 3.41Å; L723-L726 PolarHBondContact O-N 3.39Å; T724-L726 VanDerWaalsContact C-N 3.3Å; T724-L726 PolarHBondContact O-N 3.29Å; L726-I728 PolarHBondContact O-N 3.4Å; L726-G729 PolarHBondContact O-N 2.75Å; L726-F730 HydrophobicContact CD1-CE2 4.33Å; L726-F730 HydrophobicContact CD2-CD2 3.46Å; L726-F730 VanDerWaalsContact CD2-CD2 3.46Å; L726-F730 HydrophobicContact CD2-CE2 3.68Å; L726-F730 HydrophobicContact CG-CD2 3.77Å; L726-F730 HydrophobicContact CG-CE2 3.78Å; L726-F730 WeakPolarHBondContact O-CD2 3.31Å; L726-F730 PolarHBondContact O-N 3.05Å |
| 727 | I | 85.6 | Confident | 80.9 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -50.6 | 175.4 | -67.7 | 166.5 | 0 | 0 | 0 | 109.9 | L723 T724 G729 F730 S731 | L723-I727 HydrophobicContact CD1-CD1 4.35Å; L723-I727 HydrophobicContact CG-CD1 4.03Å; L723-I727 WeakPolarHBondContact O-CG1 3.5Å; L723-I727 PolarHBondContact O-N 3Å; T724-I727 PolarHBondContact O-N 3.48Å; I727-G729 VanDerWaalsContact C-N 3.3Å; I727-G729 PolarHBondContact O-N 2.99Å; I727-F730 PolarHBondContact O-N 3.21Å; I727-S731 VanDerWaalsContact O-CB 3.31Å; I727-S731 WeakPolarHBondContact O-CB 3.5Å; I727-S731 PolarHBondContact O-N 2.91Å; I727-S731 PolarHBondContact O-OG 3.14Å |
| 728 | I | 85.9 | Confident | 83.1 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 46% | 0.456 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 177.1 | -66.6 | 166.9 | 0 | 0 | 0 | 110.9 | T724 L726 L732 | T724-I728 HydrophobicContact CG2-CD1 4.01Å; T724-I728 VanDerWaalsContact O-CG1 3.27Å; T724-I728 WeakPolarHBondContact O-CG1 3.21Å; T724-I728 PolarHBondContact O-N 2.95Å; L726-I728 PolarHBondContact O-N 3.4Å; I728-L732 WeakPolarHBondContact O-CB 3.38Å; I728-L732 PolarHBondContact O-N 3.43Å |
| 729 | G | 86.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 12% | 0.124 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M725 L726 I727 G733 | M725-G729 PolarHBondContact O-N 3.01Å; L726-G729 PolarHBondContact O-N 2.75Å; I727-G729 VanDerWaalsContact C-N 3.3Å; I727-G729 PolarHBondContact O-N 2.99Å; G729-G733 WeakPolarHBondContact O-CA 3.32Å; G729-G733 PolarHBondContact O-N 2.85Å |
| 730 | F | 90.3 | Very high | 86.3 | Confident | 77 Ų | 77 | 60 Ų | 60 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.1 | -37.8 | 178.2 | -85.3 | -87.5 | 0 | 0 | 0 | 112.5 | V652 W700 L726 I727 Y734 | V652-F730 HydrophobicContact CG1-CE2 4.15Å; V652-F730 HydrophobicContact CG1-CZ 4.41Å; W700-F730 HydrophobicContact CH2-CD1 4.11Å; W700-F730 AromaticContact CH2-CD2 3.94Å; W700-F730 HydrophobicContact CH2-CD2 3.94Å; W700-F730 HydrophobicContact CH2-CE1 4.18Å; W700-F730 HydrophobicContact CH2-CE2 4.04Å; W700-F730 AromaticContact CH2-CG 3.99Å; W700-F730 HydrophobicContact CH2-CG 3.99Å; W700-F730 HydrophobicContact CH2-CZ 4.16Å; W700-F730 AromaticContact CZ2-CD1 3.78Å; W700-F730 HydrophobicContact CZ2-CD1 3.78Å; W700-F730 HydrophobicContact CZ2-CD2 4.44Å; W700-F730 AromaticContact CZ2-CE1 3.93Å; W700-F730 HydrophobicContact CZ2-CE1 3.93Å; W700-F730 HydrophobicContact CZ2-CG 4.05Å; W700-F730 HydrophobicContact CZ2-CZ 4.35Å; L726-F730 HydrophobicContact CD1-CE2 4.33Å; L726-F730 HydrophobicContact CD2-CD2 3.46Å; L726-F730 VanDerWaalsContact CD2-CD2 3.46Å; L726-F730 HydrophobicContact CD2-CE2 3.68Å; L726-F730 HydrophobicContact CG-CD2 3.77Å; L726-F730 HydrophobicContact CG-CE2 3.78Å; L726-F730 WeakPolarHBondContact O-CD2 3.31Å; L726-F730 PolarHBondContact O-N 3.05Å; I727-F730 PolarHBondContact O-N 3.21Å; F730-Y734 AromaticContact CD1-CD2 3.99Å; F730-Y734 HydrophobicContact CD1-CD2 3.99Å; F730-Y734 HydrophobicContact CD1-CE2 4.21Å; F730-Y734 HydrophobicContact CE1-CD2 4.44Å; F730-Y734 HydrophobicContact CE1-CE2 4.21Å; F730-Y734 PolarHBondContact O-N 2.94Å |
| 731 | S | 91.2 | Very high | 87.4 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -62.3 | -42.9 | 173.4 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | I727 G735 A736 | I727-S731 VanDerWaalsContact O-CB 3.31Å; I727-S731 WeakPolarHBondContact O-CB 3.5Å; I727-S731 PolarHBondContact O-N 2.91Å; I727-S731 PolarHBondContact O-OG 3.14Å; S731-G735 WeakPolarHBondContact O-CA 3.48Å; S731-G735 PolarHBondContact O-N 3.3Å; S731-A736 PolarHBondContact O-N 3.15Å |
| 732 | L | 92.3 | Very high | 88.1 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -70.8 | -46 | 176.2 | -176.6 | 63.6 | 0 | 0 | 0 | 111.7 | F699 L702 A703 L706 I728 P737 | F699-L732 WeakPolarHBondContact CB-O 3.14Å; F699-L732 HydrophobicContact CD1-CD1 3.76Å; F699-L732 HydrophobicContact CD1-CG 4.16Å; F699-L732 WeakPolarHBondContact CD1-O 3.36Å; F699-L732 HydrophobicContact CE1-CD1 4.12Å; L702-L732 HydrophobicContact CD2-CD2 4.42Å; A703-L732 HydrophobicContact CB-CD2 4.21Å; L706-L732 HydrophobicContact CD1-CD2 4.11Å; I728-L732 WeakPolarHBondContact O-CB 3.38Å; I728-L732 PolarHBondContact O-N 3.43Å; L732-P737 WeakPolarHBondContact O-CD 3.44Å |
| 733 | G | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -73.8 | -27.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A696 W700 G729 P737 | A696-G733 WeakPolarHBondContact CA-O 3.37Å; A696-G733 WeakPolarHBondContact CB-O 3.47Å; W700-G733 PolarHBondContact NE1-O 3.17Å; G729-G733 WeakPolarHBondContact O-CA 3.32Å; G729-G733 PolarHBondContact O-N 2.85Å; G733-P737 WeakPolarHBondContact O-CG 3.42Å |
| 734 | Y | 94.4 | Very high | 89.2 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -126.4 | -35.4 | 177.6 | -70.5 | -65 | 0 | 0 | 0 | 113.5 | N656 S660 F692 F693 A696 W700 F730 L738 | N656-Y734 WeakPolarHBondContact OD1-CE2 3.25Å; N656-Y734 PolarHBondContact OD1-OH 3.42Å; S660-Y734 WeakPolarHBondContact OG-CE1 3.45Å; S660-Y734 PolarHBondContact OG-OH 2.89Å; S660-Y734 VanDerWaalsContact OG-OH 3.13Å; F692-Y734 HydrophobicContact CE2-CD1 4.49Å; F692-Y734 AromaticContact CZ-CD1 3.85Å; F692-Y734 HydrophobicContact CZ-CD1 3.85Å; F693-Y734 HydrophobicContact CE1-CE1 4.46Å; A696-Y734 HydrophobicContact CB-CD1 3.83Å; A696-Y734 HydrophobicContact CB-CE1 3.9Å; W700-Y734 AromaticContact CE2-CD2 3.96Å; W700-Y734 AromaticContact CE2-CE2 3.66Å; W700-Y734 AromaticContact CZ2-CD2 3.85Å; W700-Y734 HydrophobicContact CZ2-CD2 3.85Å; W700-Y734 AromaticContact CZ2-CE2 3.64Å; W700-Y734 HydrophobicContact CZ2-CE2 3.64Å; W700-Y734 AromaticContact NE1-CD2 3.45Å; W700-Y734 AromaticContact NE1-CE1 3.82Å; W700-Y734 AromaticContact NE1-CE2 3.13Å; W700-Y734 AromaticContact NE1-CG 3.93Å; W700-Y734 AromaticContact NE1-CZ 3.33Å; W700-Y734 VanDerWaalsContact NE1-CZ 3.33Å; F730-Y734 AromaticContact CD1-CD2 3.99Å; F730-Y734 HydrophobicContact CD1-CD2 3.99Å; F730-Y734 HydrophobicContact CD1-CE2 4.21Å; F730-Y734 HydrophobicContact CE1-CD2 4.44Å; F730-Y734 HydrophobicContact CE1-CE2 4.21Å; F730-Y734 PolarHBondContact O-N 2.94Å; Y734-L738 VanDerWaalsContact O-CB 3.26Å; Y734-L738 WeakPolarHBondContact O-CB 3.4Å; Y734-L738 PolarHBondContact O-N 3.37Å |
| 735 | G | 93.3 | Very high | 89.4 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -63.9 | -51.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S731 L738 I739 | S731-G735 WeakPolarHBondContact O-CA 3.48Å; S731-G735 PolarHBondContact O-N 3.3Å; G735-L738 PolarHBondContact O-N 3.42Å; G735-I739 WeakPolarHBondContact O-CG1 3.36Å; G735-I739 PolarHBondContact O-N 3.29Å; G735-I739 VanDerWaalsContact O-N 3.08Å |
| 736 | A | 91.8 | Very high | 89.5 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F699 S731 L738 I739 I740 | F699-A736 HydrophobicContact CD1-CB 3.99Å; F699-A736 HydrophobicContact CE1-CB 3.58Å; F699-A736 HydrophobicContact CZ-CB 3.94Å; S731-A736 PolarHBondContact O-N 3.15Å; A736-L738 VanDerWaalsContact C-N 3.33Å; A736-L738 PolarHBondContact O-N 2.98Å; A736-I739 PolarHBondContact O-N 3.44Å; A736-I740 WeakPolarHBondContact O-CG1 3.42Å; A736-I740 PolarHBondContact O-N 3.06Å; A736-I740 VanDerWaalsContact O-N 3.11Å |
| 737 | P | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57 | -40.5 | 172.4 | -22.5 | 25 | 0 | 0 | 0 | 114.5 | F692 L695 A696 F699 L732 G733 I740 A741 | F692-P737 HydrophobicContact CD2-CB 3.95Å; F692-P737 HydrophobicContact CE2-CB 3.97Å; L695-P737 HydrophobicContact CB-CB 4.07Å; L695-P737 HydrophobicContact CD2-CB 4.1Å; L695-P737 HydrophobicContact CG-CB 3.92Å; L695-P737 HydrophobicContact CG-CG 4.45Å; A696-P737 HydrophobicContact CB-CB 4.21Å; A696-P737 HydrophobicContact CB-CG 4.05Å; F699-P737 HydrophobicContact CB-CG 3.9Å; F699-P737 HydrophobicContact CD2-CB 4.44Å; F699-P737 HydrophobicContact CD2-CG 3.56Å; F699-P737 HydrophobicContact CE2-CG 4.22Å; F699-P737 HydrophobicContact CG-CG 3.82Å; L732-P737 WeakPolarHBondContact O-CD 3.44Å; G733-P737 WeakPolarHBondContact O-CG 3.42Å; P737-I740 PolarHBondContact O-N 3.37Å; P737-A741 WeakPolarHBondContact O-CB 3.39Å; P737-A741 PolarHBondContact O-N 3.32Å |
| 738 | L | 94.1 | Very high | 88.9 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 40% | 0.403 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | -179.6 | -177.6 | 63.4 | 0 | 0 | 0 | 110.7 | F688 F692 Y734 G735 A736 I740 A741 T742 | F688-L738 HydrophobicContact CZ-CD1 4.21Å; F692-L738 HydrophobicContact CD2-CB 4.23Å; F692-L738 HydrophobicContact CD2-CD1 4.35Å; F692-L738 HydrophobicContact CE2-CB 3.71Å; F692-L738 HydrophobicContact CE2-CD1 4.21Å; F692-L738 HydrophobicContact CZ-CB 4.48Å; Y734-L738 VanDerWaalsContact O-CB 3.26Å; Y734-L738 WeakPolarHBondContact O-CB 3.4Å; Y734-L738 PolarHBondContact O-N 3.37Å; G735-L738 PolarHBondContact O-N 3.42Å; A736-L738 VanDerWaalsContact C-N 3.33Å; A736-L738 PolarHBondContact O-N 2.98Å; L738-I740 VanDerWaalsContact C-N 3.34Å; L738-I740 PolarHBondContact O-N 3.07Å; L738-A741 PolarHBondContact O-N 3.38Å; L738-T742 HydrophobicContact CD1-CG2 4Å; L738-T742 HydrophobicContact CG-CG2 4.28Å; L738-T742 WeakPolarHBondContact O-CB 3.41Å; L738-T742 VanDerWaalsContact O-CG2 3.22Å; L738-T742 WeakPolarHBondContact O-CG2 3.39Å; L738-T742 PolarHBondContact O-N 3.47Å; L738-T742 PolarHBondContact O-OG1 3.06Å |
| 739 | I | 94.1 | Very high | 87.9 | Confident | 102 Ų | 102 | 46.3 Ų | 46.3 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.7 | -49 | 176.6 | -68.2 | 166.7 | 0 | 0 | 0 | 110.1 | G735 A736 T742 I743 | G735-I739 WeakPolarHBondContact O-CG1 3.36Å; G735-I739 PolarHBondContact O-N 3.29Å; G735-I739 VanDerWaalsContact O-N 3.08Å; A736-I739 PolarHBondContact O-N 3.44Å; I739-T742 WeakPolarHBondContact CA-OG1 3.48Å; I739-T742 PolarHBondContact O-N 3.33Å; I739-T742 PolarHBondContact O-OG1 3.35Å; I739-I743 HydrophobicContact CG2-CD1 3.62Å; I739-I743 HydrophobicContact CG2-CG1 4.42Å; I739-I743 WeakPolarHBondContact O-CB 3.17Å; I739-I743 VanDerWaalsContact O-CG1 3.27Å; I739-I743 WeakPolarHBondContact O-CG1 3.47Å; I739-I743 PolarHBondContact O-N 3.09Å |
| 740 | I | 92.3 | Very high | 86.6 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 23% | 0.226 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -52 | 179.3 | -65.5 | 165.9 | 0 | 0 | 0 | 110.6 | L695 F699 A736 P737 L738 T742 I743 T744 P777 | L695-I740 HydrophobicContact CD2-CB 3.72Å; L695-I740 HydrophobicContact CD2-CD1 3.96Å; L695-I740 HydrophobicContact CD2-CG1 4.44Å; L695-I740 HydrophobicContact CD2-CG2 3.65Å; F699-I740 HydrophobicContact CE2-CD1 3.99Å; F699-I740 HydrophobicContact CZ-CD1 3.89Å; A736-I740 WeakPolarHBondContact O-CG1 3.42Å; A736-I740 PolarHBondContact O-N 3.06Å; A736-I740 VanDerWaalsContact O-N 3.11Å; P737-I740 PolarHBondContact O-N 3.37Å; L738-I740 VanDerWaalsContact C-N 3.34Å; L738-I740 PolarHBondContact O-N 3.07Å; I740-T742 PolarHBondContact O-N 3.46Å; I740-I743 PolarHBondContact O-N 2.84Å; I740-T744 PolarHBondContact O-N 3.42Å; I740-T744 PolarHBondContact O-OG1 3.07Å; I740-P777 HydrophobicContact CD1-CG 4.38Å |
| 741 | A | 89.8 | Confident | 85 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F688 F692 P737 L738 T744 I745 | F688-A741 HydrophobicContact CD2-CB 4.45Å; F688-A741 HydrophobicContact CE2-CB 3.96Å; F692-A741 HydrophobicContact CB-CB 4.24Å; P737-A741 WeakPolarHBondContact O-CB 3.39Å; P737-A741 PolarHBondContact O-N 3.32Å; L738-A741 PolarHBondContact O-N 3.38Å; A741-T744 PolarHBondContact O-N 3.46Å; A741-I745 WeakPolarHBondContact O-CG2 3.45Å; A741-I745 PolarHBondContact O-N 3.39Å; A741-I745 VanDerWaalsContact O-N 3.08Å |
| 742 | T | 89.8 | Confident | 83.5 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.9 | -37.9 | 177.2 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | F688 L738 I739 I740 I745 A746 | F688-T742 HydrophobicContact CE2-CG2 4.29Å; F688-T742 HydrophobicContact CZ-CG2 4.41Å; L738-T742 HydrophobicContact CD1-CG2 4Å; L738-T742 HydrophobicContact CG-CG2 4.28Å; L738-T742 WeakPolarHBondContact O-CB 3.41Å; L738-T742 VanDerWaalsContact O-CG2 3.22Å; L738-T742 WeakPolarHBondContact O-CG2 3.39Å; L738-T742 PolarHBondContact O-N 3.47Å; L738-T742 PolarHBondContact O-OG1 3.06Å; I739-T742 WeakPolarHBondContact CA-OG1 3.48Å; I739-T742 PolarHBondContact O-N 3.33Å; I739-T742 PolarHBondContact O-OG1 3.35Å; I740-T742 PolarHBondContact O-N 3.46Å; T742-I745 VanDerWaalsContact O-CG2 3.25Å; T742-I745 WeakPolarHBondContact O-CG2 3.49Å; T742-A746 WeakPolarHBondContact O-CB 3.34Å; T742-A746 PolarHBondContact O-N 3.27Å |
| 743 | I | 89.2 | Confident | 82.2 | Confident | 106 Ų | 106 | 54 Ų | 54 | 54% | 0.544 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 174.4 | -69.5 | 169.6 | 0 | 0 | 0 | 109.9 | I739 I740 A746 S747 | I739-I743 HydrophobicContact CG2-CD1 3.62Å; I739-I743 HydrophobicContact CG2-CG1 4.42Å; I739-I743 WeakPolarHBondContact O-CB 3.17Å; I739-I743 VanDerWaalsContact O-CG1 3.27Å; I739-I743 WeakPolarHBondContact O-CG1 3.47Å; I739-I743 PolarHBondContact O-N 3.09Å; I740-I743 PolarHBondContact O-N 2.84Å; I743-A746 PolarHBondContact O-N 3.37Å; I743-S747 WeakPolarHBondContact O-CB 3.45Å; I743-S747 PolarHBondContact O-N 2.94Å; I743-S747 PolarHBondContact O-OG 2.95Å; I743-S747 VanDerWaalsContact O-OG 3.09Å |
| 744 | T | 85.8 | Confident | 81.1 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.6 | -53.7 | 178 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | I740 A741 A746 S747 T748 Y754 L763 A770 A773 | I740-T744 PolarHBondContact O-N 3.42Å; I740-T744 PolarHBondContact O-OG1 3.07Å; A741-T744 PolarHBondContact O-N 3.46Å; T744-A746 PolarHBondContact O-N 2.88Å; T744-S747 PolarHBondContact O-N 3.49Å; T744-S747 PolarHBondContact O-OG 3.39Å; T744-T748 WeakPolarHBondContact O-CG2 3.48Å; T744-T748 PolarHBondContact O-N 2.04Å; T744-T748 VanDerWaalsContact O-N 3.11Å; T744-T748 PolarHBondContact O-OG1 3.08Å; T744-Y754 HydrophobicContact CG2-CD2 4.27Å; T744-Y754 HydrophobicContact CG2-CE2 3.86Å; T744-L763 HydrophobicContact CG2-CD2 4.49Å; T744-A770 HydrophobicContact CG2-CB 4.35Å; T744-A773 HydrophobicContact CG2-CB 3.82Å; T744-A773 VanDerWaalsContact OG1-CB 3.31Å; T744-A773 WeakPolarHBondContact OG1-CB 3.49Å |
| 745 | I | 83.8 | Confident | 79.8 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 179.8 | -165.8 | 172 | 0 | 0 | 0 | 112.2 | T684 F688 A741 T742 S747 T748 A749 Y754 | T684-I745 HydrophobicContact CG2-CD1 4.04Å; F688-I745 HydrophobicContact CD2-CD1 4.29Å; F688-I745 HydrophobicContact CD2-CG2 4.42Å; F688-I745 HydrophobicContact CE2-CG2 4.48Å; A741-I745 WeakPolarHBondContact O-CG2 3.45Å; A741-I745 PolarHBondContact O-N 3.39Å; A741-I745 VanDerWaalsContact O-N 3.08Å; T742-I745 VanDerWaalsContact O-CG2 3.25Å; T742-I745 WeakPolarHBondContact O-CG2 3.49Å; I745-S747 VanDerWaalsContact C-N 3.32Å; I745-S747 PolarHBondContact O-N 2.76Å; I745-T748 PolarHBondContact O-N 2.93Å; I745-A749 WeakPolarHBondContact O-CB 3.39Å; I745-A749 PolarHBondContact O-N 3.37Å; I745-Y754 HydrophobicContact CB-CD2 4.27Å; I745-Y754 HydrophobicContact CB-CE1 4.47Å; I745-Y754 HydrophobicContact CB-CE2 3.91Å; I745-Y754 HydrophobicContact CD1-CD1 4.42Å; I745-Y754 HydrophobicContact CD1-CE1 4.14Å; I745-Y754 HydrophobicContact CG1-CD1 4.23Å; I745-Y754 HydrophobicContact CG1-CD2 4.41Å; I745-Y754 HydrophobicContact CG1-CE1 4.21Å; I745-Y754 HydrophobicContact CG1-CE2 4.36Å; I745-Y754 HydrophobicContact CG1-CG 4.31Å |
| 746 | A | 83.5 | Confident | 78.2 | Confident | 69 Ų | 69 | 58.2 Ų | 58.2 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65 | -35.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T742 I743 T744 | T742-A746 WeakPolarHBondContact O-CB 3.34Å; T742-A746 PolarHBondContact O-N 3.27Å; I743-A746 PolarHBondContact O-N 3.37Å; T744-A746 PolarHBondContact O-N 2.88Å |
| 747 | S | 80.6 | Confident | 76.6 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 56% | 0.559 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -75.8 | -27.3 | 179.3 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | I743 T744 I745 | I743-S747 WeakPolarHBondContact O-CB 3.45Å; I743-S747 PolarHBondContact O-N 2.94Å; I743-S747 PolarHBondContact O-OG 2.95Å; I743-S747 VanDerWaalsContact O-OG 3.09Å; T744-S747 PolarHBondContact O-N 3.49Å; T744-S747 PolarHBondContact O-OG 3.39Å; I745-S747 VanDerWaalsContact C-N 3.32Å; I745-S747 PolarHBondContact O-N 2.76Å |
| 748 | T | 75.2 | Confident | 74.5 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 6% | 0.055 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -106.4 | -6.3 | -176.2 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | T744 I745 P750 N752 Y754 A770 | T744-T748 WeakPolarHBondContact O-CG2 3.48Å; T744-T748 PolarHBondContact O-N 2.04Å; T744-T748 VanDerWaalsContact O-N 3.11Å; T744-T748 PolarHBondContact O-OG1 3.08Å; I745-T748 PolarHBondContact O-N 2.93Å; T748-P750 VanDerWaalsContact C-CD 3.47Å; T748-N752 PolarHBondContact O-N 2.9Å; T748-Y754 WeakPolarHBondContact OG1-CB 3.38Å; T748-Y754 WeakPolarHBondContact OG1-CD2 3.2Å; T748-A770 HydrophobicContact CG2-CB 4.4Å |
| 749 | A | 63.3 | Low | 72.8 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I745 S751 N752 | I745-A749 WeakPolarHBondContact O-CB 3.39Å; I745-A749 PolarHBondContact O-N 3.37Å; A749-S751 VanDerWaalsContact C-N 3.29Å; A749-S751 PolarHBondContact O-N 3.47Å; A749-N752 PolarHBondContact O-N 3.41Å |
| 750 | P | 59.8 | Low | 71.4 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 77% | 0.773 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.2 | -178 | -22.1 | 33.6 | 0 | 0 | 0 | 114.4 | T748 | T748-P750 VanDerWaalsContact C-CD 3.47Š|
| 751 | S | 56.2 | Low | 70.6 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -1.2 | -177.8 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | A749 E753 | A749-S751 VanDerWaalsContact C-N 3.29Å; A749-S751 PolarHBondContact O-N 3.47Å; S751-E753 WeakPolarHBondContact CB-OE2 3.43Å; S751-E753 WeakPolarHBondContact O-CG 3.42Å; S751-E753 PolarHBondContact O-N 2.98Å; S751-E753 VanDerWaalsContact O-N 3.17Å; S751-E753 PolarHBondContact OG-OE2 3.33Å |
| 752 | N | 60.4 | Low | 70 | Confident | 134 Ų | 134 | 66.5 Ų | 66.5 | 72% | 0.717 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 14.3 | -174.4 | -121.9 | 19.9 | 0 | 0 | 0 | 114.7 | T748 A749 Y754 | T748-N752 PolarHBondContact O-N 2.9Å; A749-N752 PolarHBondContact O-N 3.41Å; N752-Y754 PolarHBondContact O-N 2.9Å |
| 753 | E | 64.4 | Low | 69.3 | Low | 65 Ų | 65 | 64 Ų | 64 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 14.2 | -172.3 | -65.4 | 159.1 | 177.6 | 0 | 0 | 113.9 | S751 I755 N764 E767 S768 | S751-E753 WeakPolarHBondContact CB-OE2 3.43Å; S751-E753 WeakPolarHBondContact O-CG 3.42Å; S751-E753 PolarHBondContact O-N 2.98Å; S751-E753 VanDerWaalsContact O-N 3.17Å; S751-E753 PolarHBondContact OG-OE2 3.33Å; E753-I755 VanDerWaalsContact C-N 3.33Å; E753-N764 WeakPolarHBondContact O-CB 3.3Å; E753-N764 PolarHBondContact O-ND2 3.35Å; E753-E767 HydrophobicContact CG-CB 4.38Å; E753-S768 PolarHBondContact O-OG 3.44Å |
| 754 | Y | 67.1 | Low | 68.4 | Low | 8 Ų | 8 | 59.5 Ų | 59.5 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -37.4 | 179 | -176.2 | -117.5 | 0 | 0 | 0 | 112.3 | T684 T687 F688 T744 I745 T748 N752 L763 N764 | T684-Y754 HydrophobicContact CG2-CD1 4.13Å; T687-Y754 HydrophobicContact CG2-CD1 4.24Å; T687-Y754 HydrophobicContact CG2-CE1 3.77Å; F688-Y754 WeakPolarHBondContact CA-OH 3.34Å; F688-Y754 HydrophobicContact CB-CE1 4.45Å; T744-Y754 HydrophobicContact CG2-CD2 4.27Å; T744-Y754 HydrophobicContact CG2-CE2 3.86Å; I745-Y754 HydrophobicContact CB-CD2 4.27Å; I745-Y754 HydrophobicContact CB-CE1 4.47Å; I745-Y754 HydrophobicContact CB-CE2 3.91Å; I745-Y754 HydrophobicContact CD1-CD1 4.42Å; I745-Y754 HydrophobicContact CD1-CE1 4.14Å; I745-Y754 HydrophobicContact CG1-CD1 4.23Å; I745-Y754 HydrophobicContact CG1-CD2 4.41Å; I745-Y754 HydrophobicContact CG1-CE1 4.21Å; I745-Y754 HydrophobicContact CG1-CE2 4.36Å; I745-Y754 HydrophobicContact CG1-CG 4.31Å; T748-Y754 WeakPolarHBondContact OG1-CB 3.38Å; T748-Y754 WeakPolarHBondContact OG1-CD2 3.2Å; N752-Y754 PolarHBondContact O-N 2.9Å; Y754-L763 HydrophobicContact CD2-CD2 4.35Å; Y754-L763 HydrophobicContact CE2-CD2 3.82Å; Y754-N764 PolarHBondContact O-N 3.09Å |
| 755 | I | 67.3 | Low | 67.6 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 16% | 0.159 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 150.5 | -177.7 | 62.6 | 172.3 | 0 | 0 | 0 | 110.8 | T687 E753 | T687-I755 HydrophobicContact CG2-CG2 4.45Å; E753-I755 VanDerWaalsContact C-N 3.33Å |
| 756 | R | 60.8 | Low | 66.3 | Low | 123 Ų | 123 | 68 Ų | 68 | 46% | 0.464 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 123.5 | 168.3 | -171.5 | 175.6 | -175.1 | -179.1 | 0.7 | 109.1 | N758 W762 | R756-N758 PolarHBondContact O-N 3.4Å; R756-W762 PolarHBondContact N-O 3.44Å |
| 757 | E | 57.2 | Low | 65 | Low | 143 Ų | 143 | 71.6 Ų | 71.6 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 134.4 | 180 | -67.3 | -172.4 | 163.4 | 0 | 0 | 111.4 | V759 | E757-V759 VanDerWaalsContact C-N 3.34Å; E757-V759 WeakPolarHBondContact O-CG2 3.48Å; E757-V759 PolarHBondContact O-N 3.44Å |
| 758 | N | 51.1 | Low | 64.1 | Low | 128 Ų | 128 | 69.3 Ų | 69.3 | 68% | 0.684 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 23.7 | 163.7 | -59.1 | -33.1 | 0 | 0 | 0 | 119.5 | R756 | R756-N758 PolarHBondContact O-N 3.4Š|
| 759 | V | 58 | Low | 63.8 | Low | 52 Ų | 52 | 75.1 Ų | 75.1 | 32% | 0.315 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -127 | -70.1 | -178.9 | -178.4 | 0 | 0 | 0 | 0 | 113.6 | E757 | E757-V759 VanDerWaalsContact C-N 3.34Å; E757-V759 WeakPolarHBondContact O-CG2 3.48Å; E757-V759 PolarHBondContact O-N 3.44Å |
| 760 | V | 64.3 | Low | 64.4 | Low | 49 Ų | 49 | 72.5 Ų | 72.5 | 30% | 0.297 | 37% | 0.365 | S | S | . | . | trans | -147.2 | 145.3 | -179.2 | 173.5 | 0 | 0 | 0 | 0 | 107.4 | W762 | V760-W762 HydrophobicContact CG1-CB 4.48Å; V760-W762 PolarHBondContact O-N 3.11Å | ||
| 761 | C | 74.4 | Confident | 65.3 | Low | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -67 | 81.5 | 175 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | G671 C683 A686 T687 I690 | G671-C761 PolarHBondContact O-SG 3.32Å; G671-C761 VanDerWaalsContact O-SG 3.33Å; C683-C761 WeakPolarHBondContact CA-SG 3.45Å; C683-C761 HydrophobicContact CB-CB 4.11Å; C683-C761 WeakPolarHBondContact CB-SG 3.47Å; C683-C761 WeakPolarHBondContact SG-CA 3.43Å; C683-C761 WeakPolarHBondContact SG-CB 3.3Å; C683-C761 CovalentContact SG-SG 2.04Å; C683-C761 PolarHBondContact SG-SG 2.79Å; A686-C761 HydrophobicContact CB-CB 4.28Å; T687-C761 PolarHBondContact OG1-O 3.23Å; I690-C761 WeakPolarHBondContact CD1-O 3.36Å |
| 762 | W | 77.9 | Confident | 66.5 | Low | 51 Ų | 51 | 68.4 Ų | 68.4 | 19% | 0.193 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -145.2 | 164.5 | -177.4 | -166.2 | -95.7 | 0 | 0 | 0 | 111.7 | F668 T687 I690 Y694 R756 V760 | F668-W762 AromaticContact CD2-CE3 3.91Å; F668-W762 HydrophobicContact CD2-CE3 3.91Å; F668-W762 AromaticContact CD2-CZ3 3.64Å; F668-W762 HydrophobicContact CD2-CZ3 3.64Å; F668-W762 AromaticContact CE2-CE3 3.94Å; F668-W762 HydrophobicContact CE2-CE3 3.94Å; F668-W762 AromaticContact CE2-CZ3 3.89Å; F668-W762 HydrophobicContact CE2-CZ3 3.89Å; T687-W762 PolarHBondContact OG1-N 3.46Å; I690-W762 HydrophobicContact CB-CZ3 4.31Å; I690-W762 HydrophobicContact CD1-CE3 4.32Å; I690-W762 HydrophobicContact CG2-CD2 4.39Å; I690-W762 HydrophobicContact CG2-CE3 3.4Å; I690-W762 VanDerWaalsContact CG2-CE3 3.4Å; I690-W762 HydrophobicContact CG2-CH2 3.45Å; I690-W762 VanDerWaalsContact CG2-CH2 3.45Å; I690-W762 HydrophobicContact CG2-CZ2 4.42Å; I690-W762 HydrophobicContact CG2-CZ3 2.89Å; Y694-W762 AromaticContact CD2-CH2 3.72Å; Y694-W762 HydrophobicContact CD2-CH2 3.72Å; Y694-W762 HydrophobicContact CD2-CZ3 4.14Å; Y694-W762 AromaticContact CE2-CH2 3.78Å; Y694-W762 HydrophobicContact CE2-CH2 3.78Å; Y694-W762 AromaticContact CE2-CZ3 3.87Å; Y694-W762 HydrophobicContact CE2-CZ3 3.87Å; R756-W762 PolarHBondContact N-O 3.44Å; V760-W762 HydrophobicContact CG1-CB 4.48Å; V760-W762 PolarHBondContact O-N 3.11Å |
| 763 | L | 74.4 | Confident | 67.7 | Low | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -60.5 | 136.5 | 179.5 | -72.6 | 155.4 | 0 | 0 | 0 | 112.3 | T687 H691 T744 Y754 A770 L771 F774 | T687-L763 HydrophobicContact CG2-CD2 4.47Å; T687-L763 HydrophobicContact CG2-CG 4.2Å; H691-L763 HydrophobicContact CB-CD1 4.03Å; H691-L763 HydrophobicContact CB-CG 4.48Å; T744-L763 HydrophobicContact CG2-CD2 4.49Å; Y754-L763 HydrophobicContact CD2-CD2 4.35Å; Y754-L763 HydrophobicContact CE2-CD2 3.82Å; L763-A770 HydrophobicContact CD2-CB 4.09Å; L763-L771 HydrophobicContact CB-CB 4.17Å; L763-L771 HydrophobicContact CB-CD1 3.95Å; L763-L771 HydrophobicContact CD1-CD1 4.22Å; L763-F774 HydrophobicContact CD1-CB 3.91Å |
| 764 | N | 72.1 | Confident | 68.6 | Low | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | trans | -70.2 | 140.5 | 178.6 | -166.1 | -12.4 | 0 | 0 | 0 | 112.8 | E753 Y754 N766 K769 A770 L771 | E753-N764 WeakPolarHBondContact O-CB 3.3Å; E753-N764 PolarHBondContact O-ND2 3.35Å; Y754-N764 PolarHBondContact O-N 3.09Å; N764-N766 PolarHBondContact OD1-N 3.35Å; N764-K769 CarbonylContact O-C 3.58Å; N764-A770 PolarHBondContact O-N 3.47Å; N764-L771 PolarHBondContact O-N 2.88Å | ||
| 765 | W | 67.1 | Low | 69.4 | Low | 117 Ų | 117 | 61.4 Ų | 61.4 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -107.4 | -34.1 | 176.5 | 176.1 | -102.1 | 0 | 0 | 0 | 113.5 | L771 L772 L839 | W765-L771 HydrophobicContact CB-CD2 4.42Å; W765-L771 HydrophobicContact CD2-CD2 4.32Å; W765-L771 HydrophobicContact CE3-CB 4Å; W765-L771 HydrophobicContact CE3-CD2 3.59Å; W765-L771 HydrophobicContact CE3-CG 4.2Å; W765-L771 HydrophobicContact CZ3-CD2 4.22Å; W765-L772 HydrophobicContact CH2-CD2 4.16Å; W765-L772 HydrophobicContact CZ3-CD2 3.7Å; W765-L772 HydrophobicContact CZ3-CG 4.24Å; W765-L839 HydrophobicContact CH2-CD2 3.77Å; W765-L839 HydrophobicContact CZ3-CD2 4.16Å |
| 766 | N | 56.7 | Low | 70.3 | Confident | 118 Ų | 118 | 64.9 Ų | 64.9 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -82.6 | -59.8 | -164.7 | -72.1 | -7.6 | 0 | 0 | 0 | 112.6 | N764 | N764-N766 PolarHBondContact OD1-N 3.35Š|
| 767 | E | 57.3 | Low | 71.6 | Confident | 146 Ų | 146 | 60.2 Ų | 60.2 | 68% | 0.682 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -84.9 | -59.8 | -172.6 | -60.8 | -57.9 | 146.9 | 0 | 0 | 112 | E753 | E753-E767 HydrophobicContact CG-CB 4.38Š|
| 768 | S | 60.6 | Low | 73 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 22% | 0.217 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -88.8 | -9.8 | -174.4 | 63.3 | 0 | 0 | 0 | 0 | 115.1 | E753 A770 | E753-S768 PolarHBondContact O-OG 3.44Å; S768-A770 PolarHBondContact O-N 3.22Å; S768-A770 WeakPolarHBondContact OG-CB 3.35Å; S768-A770 PolarHBondContact OG-N 2.69Å |
| 769 | K | 70.3 | Confident | 74.7 | Confident | 131 Ų | 131 | 50.1 Ų | 50.1 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | trans | 49.9 | 26.7 | -171.3 | -59.2 | 176.6 | -179.6 | 168.6 | 0 | 113.8 | N764 L771 L772 | N764-K769 CarbonylContact O-C 3.58Å; K769-L771 PolarHBondContact O-N 3.43Å; K769-L771 VanDerWaalsContact O-N 3.1Å; K769-L772 HydrophobicContact CB-CD1 3.86Å; K769-L772 HydrophobicContact CB-CG 4.25Å; K769-L772 HydrophobicContact CD-CD1 4.17Å; K769-L772 HydrophobicContact CG-CD1 4.48Å; K769-L772 VanDerWaalsContact O-CB 3.31Å; K769-L772 WeakPolarHBondContact O-CB 3.45Å; K769-L772 PolarHBondContact O-N 3.11Å | ||
| 770 | A | 75.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T744 T748 L763 N764 S768 L772 A773 | T744-A770 HydrophobicContact CG2-CB 4.35Å; T748-A770 HydrophobicContact CG2-CB 4.4Å; L763-A770 HydrophobicContact CD2-CB 4.09Å; N764-A770 PolarHBondContact O-N 3.47Å; S768-A770 PolarHBondContact O-N 3.22Å; S768-A770 WeakPolarHBondContact OG-CB 3.35Å; S768-A770 PolarHBondContact OG-N 2.69Å; A770-L772 PolarHBondContact O-N 3.46Å; A770-A773 VanDerWaalsContact O-CB 3.29Å; A770-A773 WeakPolarHBondContact O-CB 3.37Å; A770-A773 PolarHBondContact O-N 2.99Å |
| 771 | L | 78 | Confident | 77.5 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.4 | 175.5 | -174.2 | 68.8 | 0 | 0 | 0 | 113.2 | L763 N764 W765 K769 A773 F774 V775 | L763-L771 HydrophobicContact CB-CB 4.17Å; L763-L771 HydrophobicContact CB-CD1 3.95Å; L763-L771 HydrophobicContact CD1-CD1 4.22Å; N764-L771 PolarHBondContact O-N 2.88Å; W765-L771 HydrophobicContact CB-CD2 4.42Å; W765-L771 HydrophobicContact CD2-CD2 4.32Å; W765-L771 HydrophobicContact CE3-CB 4Å; W765-L771 HydrophobicContact CE3-CD2 3.59Å; W765-L771 HydrophobicContact CE3-CG 4.2Å; W765-L771 HydrophobicContact CZ3-CD2 4.22Å; K769-L771 PolarHBondContact O-N 3.43Å; K769-L771 VanDerWaalsContact O-N 3.1Å; L771-A773 PolarHBondContact O-N 3.33Å; L771-F774 HydrophobicContact CD1-CD1 4.48Å; L771-F774 PolarHBondContact O-N 3.08Å; L771-F774 VanDerWaalsContact O-N 3.09Å; L771-V775 HydrophobicContact CD1-CG2 4.43Å; L771-V775 HydrophobicContact CD2-CG2 4.49Å; L771-V775 HydrophobicContact CG-CG2 3.95Å; L771-V775 WeakPolarHBondContact O-CG2 3.3Å; L771-V775 PolarHBondContact O-N 2.69Å |
| 772 | L | 81.5 | Confident | 78.1 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 29% | 0.293 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -29.1 | 176.2 | -68.4 | -179.7 | 0 | 0 | 0 | 112.6 | W765 K769 A770 F774 V775 I776 | W765-L772 HydrophobicContact CH2-CD2 4.16Å; W765-L772 HydrophobicContact CZ3-CD2 3.7Å; W765-L772 HydrophobicContact CZ3-CG 4.24Å; K769-L772 HydrophobicContact CB-CD1 3.86Å; K769-L772 HydrophobicContact CB-CG 4.25Å; K769-L772 HydrophobicContact CD-CD1 4.17Å; K769-L772 HydrophobicContact CG-CD1 4.48Å; K769-L772 VanDerWaalsContact O-CB 3.31Å; K769-L772 WeakPolarHBondContact O-CB 3.45Å; K769-L772 PolarHBondContact O-N 3.11Å; A770-L772 PolarHBondContact O-N 3.46Å; L772-F774 PolarHBondContact O-N 3.28Å; L772-V775 PolarHBondContact O-N 3.09Å; L772-I776 HydrophobicContact CB-CD1 3.95Å; L772-I776 HydrophobicContact CB-CG1 4.38Å; L772-I776 HydrophobicContact CD2-CD1 4.38Å; L772-I776 HydrophobicContact CD2-CG1 4.42Å; L772-I776 WeakPolarHBondContact O-CB 3.34Å; L772-I776 WeakPolarHBondContact O-CG1 3.38Å; L772-I776 PolarHBondContact O-N 3.02Å |
| 773 | A | 84.9 | Confident | 78.5 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -22.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T744 A770 L771 P777 | T744-A773 HydrophobicContact CG2-CB 3.82Å; T744-A773 VanDerWaalsContact OG1-CB 3.31Å; T744-A773 WeakPolarHBondContact OG1-CB 3.49Å; A770-A773 VanDerWaalsContact O-CB 3.29Å; A770-A773 WeakPolarHBondContact O-CB 3.37Å; A770-A773 PolarHBondContact O-N 2.99Å; L771-A773 PolarHBondContact O-N 3.33Å; A773-P777 VanDerWaalsContact O-CD 3.28Å; A773-P777 WeakPolarHBondContact O-CD 3.03Å; A773-P777 VanDerWaalsContact O-CG 3.27Å; A773-P777 WeakPolarHBondContact O-CG 3.36Å |
| 774 | F | 84.7 | Confident | 79.3 | Confident | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.057 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -92.7 | -50.2 | 171.4 | 168.7 | -108.6 | 0 | 0 | 0 | 112.2 | L695 F698 L763 L771 L772 I776 P777 A778 W832 | L695-F774 HydrophobicContact CB-CD2 4.48Å; L695-F774 HydrophobicContact CD1-CD2 4.43Å; F698-F774 HydrophobicContact CD2-CE2 4.13Å; F698-F774 HydrophobicContact CD2-CZ 4.46Å; F698-F774 AromaticContact CE2-CE2 3.9Å; F698-F774 HydrophobicContact CE2-CE2 3.9Å; F698-F774 AromaticContact CE2-CZ 3.77Å; F698-F774 HydrophobicContact CE2-CZ 3.77Å; L763-F774 HydrophobicContact CD1-CB 3.91Å; L771-F774 HydrophobicContact CD1-CD1 4.48Å; L771-F774 PolarHBondContact O-N 3.08Å; L771-F774 VanDerWaalsContact O-N 3.09Å; L772-F774 PolarHBondContact O-N 3.28Å; F774-I776 PolarHBondContact O-N 3.2Å; F774-P777 WeakPolarHBondContact O-CD 3.23Å; F774-A778 VanDerWaalsContact O-CB 3.29Å; F774-A778 WeakPolarHBondContact O-CB 2.98Å; F774-A778 PolarHBondContact O-N 3.11Å; F774-A778 VanDerWaalsContact O-N 3.12Å; F774-W832 HydrophobicContact CE1-CZ3 4.4Å; F774-W832 HydrophobicContact CZ-CZ3 4.16Å |
| 775 | V | 82.8 | Confident | 80.1 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | -171.1 | 173.3 | 0 | 0 | 0 | 0 | 112.1 | L771 L772 A778 L779 L839 | L771-V775 HydrophobicContact CD1-CG2 4.43Å; L771-V775 HydrophobicContact CD2-CG2 4.49Å; L771-V775 HydrophobicContact CG-CG2 3.95Å; L771-V775 WeakPolarHBondContact O-CG2 3.3Å; L771-V775 PolarHBondContact O-N 2.69Å; L772-V775 PolarHBondContact O-N 3.09Å; V775-A778 PolarHBondContact O-N 2.82Å; V775-L779 HydrophobicContact CG1-CD1 3.68Å; V775-L779 HydrophobicContact CG1-CG 4.13Å; V775-L779 WeakPolarHBondContact O-CB 3.32Å; V775-L779 WeakPolarHBondContact O-CG 3.35Å; V775-L779 PolarHBondContact O-N 3.07Å; V775-L839 HydrophobicContact CG1-CD2 4.33Å |
| 776 | I | 85.8 | Confident | 80.9 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 53% | 0.528 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -52.5 | -177.2 | -65.4 | 171.3 | 0 | 0 | 0 | 111 | L772 F774 A778 L779 L780 | L772-I776 HydrophobicContact CB-CD1 3.95Å; L772-I776 HydrophobicContact CB-CG1 4.38Å; L772-I776 HydrophobicContact CD2-CD1 4.38Å; L772-I776 HydrophobicContact CD2-CG1 4.42Å; L772-I776 WeakPolarHBondContact O-CB 3.34Å; L772-I776 WeakPolarHBondContact O-CG1 3.38Å; L772-I776 PolarHBondContact O-N 3.02Å; F774-I776 PolarHBondContact O-N 3.2Å; I776-A778 VanDerWaalsContact C-N 3.35Å; I776-A778 PolarHBondContact O-N 3.35Å; I776-L779 PolarHBondContact O-N 3.41Å; I776-L780 WeakPolarHBondContact O-CB 3.48Å; I776-L780 PolarHBondContact O-N 3.2Å |
| 777 | P | 89.1 | Confident | 82.4 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 175 | -27.5 | 37.2 | 0 | 0 | 0 | 113.6 | L695 I740 A773 F774 L780 I781 | L695-P777 HydrophobicContact CD1-CB 3.94Å; I740-P777 HydrophobicContact CD1-CG 4.38Å; A773-P777 VanDerWaalsContact O-CD 3.28Å; A773-P777 WeakPolarHBondContact O-CD 3.03Å; A773-P777 VanDerWaalsContact O-CG 3.27Å; A773-P777 WeakPolarHBondContact O-CG 3.36Å; F774-P777 WeakPolarHBondContact O-CD 3.23Å; P777-L780 PolarHBondContact O-N 2.88Å; P777-I781 VanDerWaalsContact O-CG1 3.27Å; P777-I781 WeakPolarHBondContact O-CG1 3.33Å; P777-I781 PolarHBondContact O-N 3.28Å |
| 778 | A | 86.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F698 F774 V775 I776 I781 V782 | F698-A778 HydrophobicContact CD1-CB 4.27Å; F698-A778 HydrophobicContact CD2-CB 3.83Å; F698-A778 HydrophobicContact CE1-CB 4.13Å; F698-A778 HydrophobicContact CE2-CB 3.68Å; F698-A778 HydrophobicContact CG-CB 4.13Å; F698-A778 HydrophobicContact CZ-CB 3.81Å; F774-A778 VanDerWaalsContact O-CB 3.29Å; F774-A778 WeakPolarHBondContact O-CB 2.98Å; F774-A778 PolarHBondContact O-N 3.11Å; F774-A778 VanDerWaalsContact O-N 3.12Å; V775-A778 PolarHBondContact O-N 2.82Å; I776-A778 VanDerWaalsContact C-N 3.35Å; I776-A778 PolarHBondContact O-N 3.35Å; A778-I781 PolarHBondContact O-N 2.92Å; A778-V782 WeakPolarHBondContact O-CG2 3.17Å; A778-V782 PolarHBondContact O-N 3.01Å |
| 779 | L | 85.6 | Confident | 84.8 | Confident | 53 Ų | 53 | 43.9 Ų | 43.9 | 28% | 0.277 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 178.7 | -68.6 | 179.4 | 0 | 0 | 0 | 112.3 | V775 I776 I781 V782 V783 V836 | V775-L779 HydrophobicContact CG1-CD1 3.68Å; V775-L779 HydrophobicContact CG1-CG 4.13Å; V775-L779 WeakPolarHBondContact O-CB 3.32Å; V775-L779 WeakPolarHBondContact O-CG 3.35Å; V775-L779 PolarHBondContact O-N 3.07Å; I776-L779 PolarHBondContact O-N 3.41Å; L779-I781 VanDerWaalsContact C-N 3.3Å; L779-I781 PolarHBondContact O-N 2.85Å; L779-V782 PolarHBondContact O-N 2.93Å; L779-V783 WeakPolarHBondContact O-CG2 3.33Å; L779-V783 PolarHBondContact O-N 2.97Å; L779-V836 HydrophobicContact CD1-CG2 3.84Å; L779-V836 HydrophobicContact CD2-CG2 3.48Å; L779-V836 VanDerWaalsContact CD2-CG2 3.48Å; L779-V836 HydrophobicContact CG-CG2 4.33Å |
| 780 | L | 90.1 | Very high | 85.4 | Confident | 100 Ų | 100 | 42.4 Ų | 42.4 | 52% | 0.524 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 175 | -178.3 | 146.7 | 0 | 0 | 0 | 111.2 | I776 P777 V783 I784 | I776-L780 WeakPolarHBondContact O-CB 3.48Å; I776-L780 PolarHBondContact O-N 3.2Å; P777-L780 PolarHBondContact O-N 2.88Å; L780-V783 PolarHBondContact O-N 3.04Å; L780-I784 HydrophobicContact CD2-CD1 3.47Å; L780-I784 VanDerWaalsContact CD2-CD1 3.47Å; L780-I784 HydrophobicContact CD2-CG1 4.4Å; L780-I784 HydrophobicContact CG-CD1 4.31Å; L780-I784 WeakPolarHBondContact O-CG1 3.16Å; L780-I784 PolarHBondContact O-N 3.44Å |
| 781 | I | 90.9 | Very high | 85.8 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.5 | -71.4 | 167.7 | 0 | 0 | 0 | 111.5 | F698 F699 L702 P777 A778 L779 V783 I784 N785 | F698-I781 HydrophobicContact CB-CD1 3.81Å; F698-I781 HydrophobicContact CB-CG2 4.32Å; F698-I781 HydrophobicContact CD1-CG2 4.46Å; F699-I781 HydrophobicContact CD1-CD1 4.34Å; F699-I781 HydrophobicContact CD2-CD1 3.82Å; F699-I781 HydrophobicContact CE1-CD1 4.38Å; F699-I781 HydrophobicContact CE2-CD1 3.89Å; F699-I781 HydrophobicContact CG-CD1 4.08Å; F699-I781 HydrophobicContact CZ-CD1 4.18Å; L702-I781 HydrophobicContact CB-CG2 3.91Å; L702-I781 HydrophobicContact CD2-CG1 4.27Å; P777-I781 VanDerWaalsContact O-CG1 3.27Å; P777-I781 WeakPolarHBondContact O-CG1 3.33Å; P777-I781 PolarHBondContact O-N 3.28Å; A778-I781 PolarHBondContact O-N 2.92Å; L779-I781 VanDerWaalsContact C-N 3.3Å; L779-I781 PolarHBondContact O-N 2.85Å; I781-V783 VanDerWaalsContact C-N 3.3Å; I781-V783 PolarHBondContact O-N 3.42Å; I781-I784 PolarHBondContact O-N 3.28Å; I781-N785 WeakPolarHBondContact O-CB 3.33Å; I781-N785 VanDerWaalsContact O-CG 3.27Å; I781-N785 PolarHBondContact O-N 3.33Å |
| 782 | V | 87.1 | Confident | 85.8 | Confident | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 177 | 169.5 | 0 | 0 | 0 | 0 | 111 | F698 A778 L779 N785 L786 G829 L830 W832 | F698-V782 HydrophobicContact CD1-CG2 4.42Å; F698-V782 HydrophobicContact CE1-CG2 3.95Å; A778-V782 WeakPolarHBondContact O-CG2 3.17Å; A778-V782 PolarHBondContact O-N 3.01Å; L779-V782 PolarHBondContact O-N 2.93Å; V782-N785 PolarHBondContact O-N 3.36Å; V782-L786 WeakPolarHBondContact O-CB 3.42Å; V782-L786 PolarHBondContact O-N 3.12Å; V782-G829 WeakPolarHBondContact CG2-O 3.48Å; V782-L830 HydrophobicContact CG1-CD2 3.98Å; V782-W832 HydrophobicContact CG2-CB 4.38Å |
| 783 | V | 87.6 | Confident | 85.6 | Confident | 83 Ų | 83 | 42.4 Ų | 42.4 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L779 L780 I781 N785 L786 I787 | L779-V783 WeakPolarHBondContact O-CG2 3.33Å; L779-V783 PolarHBondContact O-N 2.97Å; L780-V783 PolarHBondContact O-N 3.04Å; I781-V783 VanDerWaalsContact C-N 3.3Å; I781-V783 PolarHBondContact O-N 3.42Å; V783-N785 VanDerWaalsContact C-N 3.35Å; V783-N785 PolarHBondContact O-N 2.87Å; V783-L786 WeakPolarHBondContact O-CB 3.41Å; V783-L786 PolarHBondContact O-N 3.44Å; V783-I787 HydrophobicContact CG1-CD1 4.13Å; V783-I787 WeakPolarHBondContact O-CG1 3.2Å; V783-I787 PolarHBondContact O-N 3.13Å |
| 784 | I | 90.3 | Very high | 85.3 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.9 | -68.9 | 172.5 | 0 | 0 | 0 | 110.7 | L702 L780 I781 L786 I787 I788 | L702-I784 HydrophobicContact CD1-CB 4.38Å; L702-I784 HydrophobicContact CD1-CG2 3.66Å; L780-I784 HydrophobicContact CD2-CD1 3.47Å; L780-I784 VanDerWaalsContact CD2-CD1 3.47Å; L780-I784 HydrophobicContact CD2-CG1 4.4Å; L780-I784 HydrophobicContact CG-CD1 4.31Å; L780-I784 WeakPolarHBondContact O-CG1 3.16Å; L780-I784 PolarHBondContact O-N 3.44Å; I781-I784 PolarHBondContact O-N 3.28Å; I784-L786 VanDerWaalsContact C-N 3.29Å; I784-L786 PolarHBondContact O-N 2.96Å; I784-I787 PolarHBondContact O-N 3.44Å; I784-I788 HydrophobicContact CG2-CD1 3.76Å; I784-I788 HydrophobicContact CG2-CG1 4.32Å; I784-I788 VanDerWaalsContact O-CG1 3.3Å; I784-I788 WeakPolarHBondContact O-CG1 3.34Å; I784-I788 PolarHBondContact O-N 3.33Å |
| 785 | N | 88.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 178.1 | -74.3 | -9.9 | 0 | 0 | 0 | 112 | A705 I781 V782 V783 I788 L789 F828 | A705-N785 VanDerWaalsContact CB-OD1 3.26Å; A705-N785 WeakPolarHBondContact CB-OD1 3.48Å; I781-N785 WeakPolarHBondContact O-CB 3.33Å; I781-N785 VanDerWaalsContact O-CG 3.27Å; I781-N785 PolarHBondContact O-N 3.33Å; V782-N785 PolarHBondContact O-N 3.36Å; V783-N785 VanDerWaalsContact C-N 3.35Å; V783-N785 PolarHBondContact O-N 2.87Å; N785-I788 PolarHBondContact O-N 3.17Å; N785-L789 VanDerWaalsContact O-CB 3.32Å; N785-L789 WeakPolarHBondContact O-CB 3.35Å; N785-L789 PolarHBondContact O-N 3.27Å; N785-F828 HydrophobicContact CB-CB 4.21Å; N785-F828 PolarHBondContact ND2-O 2.96Å; N785-F828 VanDerWaalsContact ND2-O 3.08Å |
| 786 | L | 85.3 | Confident | 84.3 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 173.8 | -178.3 | 62.4 | 0 | 0 | 0 | 111.5 | V782 V783 I784 I788 L789 I790 L830 | V782-L786 WeakPolarHBondContact O-CB 3.42Å; V782-L786 PolarHBondContact O-N 3.12Å; V783-L786 WeakPolarHBondContact O-CB 3.41Å; V783-L786 PolarHBondContact O-N 3.44Å; I784-L786 VanDerWaalsContact C-N 3.29Å; I784-L786 PolarHBondContact O-N 2.96Å; L786-I788 PolarHBondContact O-N 3.34Å; L786-L789 PolarHBondContact O-N 2.99Å; L786-I790 HydrophobicContact CD1-CD1 4.38Å; L786-I790 HydrophobicContact CG-CD1 4.17Å; L786-I790 VanDerWaalsContact O-CG1 3.31Å; L786-I790 WeakPolarHBondContact O-CG1 3.39Å; L786-I790 PolarHBondContact O-N 3.36Å; L786-L830 HydrophobicContact CB-CD2 3.97Å; L786-L830 HydrophobicContact CD1-CD1 4.22Å; L786-L830 HydrophobicContact CD1-CD2 4.24Å |
| 787 | I | 88.1 | Confident | 83.5 | Confident | 99 Ų | 99 | 52.4 Ų | 52.4 | 51% | 0.508 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.6 | -65.3 | 165.8 | 0 | 0 | 0 | 110.3 | V783 I784 L789 I790 V791 | V783-I787 HydrophobicContact CG1-CD1 4.13Å; V783-I787 WeakPolarHBondContact O-CG1 3.2Å; V783-I787 PolarHBondContact O-N 3.13Å; I784-I787 PolarHBondContact O-N 3.44Å; I787-L789 VanDerWaalsContact C-N 3.34Å; I787-L789 PolarHBondContact O-N 3.48Å; I787-I790 PolarHBondContact O-N 2.97Å; I787-V791 WeakPolarHBondContact O-CG2 3.4Å; I787-V791 PolarHBondContact O-N 3.39Å |
| 788 | I | 86 | Confident | 82.5 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 177.7 | -69 | 171.2 | 0 | 0 | 0 | 110.9 | L702 A705 L706 L709 I784 N785 L786 I790 V791 V792 | L702-I788 HydrophobicContact CD1-CD1 4.46Å; A705-I788 HydrophobicContact CB-CD1 3.96Å; A705-I788 HydrophobicContact CB-CG2 4.14Å; A705-I788 WeakPolarHBondContact O-CG2 3.34Å; L706-I788 HydrophobicContact CD2-CD1 3.77Å; L706-I788 HydrophobicContact CG-CD1 4.2Å; L709-I788 HydrophobicContact CB-CG2 3.87Å; L709-I788 HydrophobicContact CD1-CG2 4.49Å; L709-I788 HydrophobicContact CD2-CG1 4.23Å; I784-I788 HydrophobicContact CG2-CD1 3.76Å; I784-I788 HydrophobicContact CG2-CG1 4.32Å; I784-I788 VanDerWaalsContact O-CG1 3.3Å; I784-I788 WeakPolarHBondContact O-CG1 3.34Å; I784-I788 PolarHBondContact O-N 3.33Å; N785-I788 PolarHBondContact O-N 3.17Å; L786-I788 PolarHBondContact O-N 3.34Å; I788-I790 VanDerWaalsContact C-N 3.34Å; I788-I790 PolarHBondContact O-N 3.33Å; I788-V791 PolarHBondContact O-N 3.33Å; I788-V792 HydrophobicContact CG2-CG2 4.21Å; I788-V792 WeakPolarHBondContact O-CB 3.44Å; I788-V792 VanDerWaalsContact O-CG2 3.29Å; I788-V792 WeakPolarHBondContact O-CG2 3.44Å; I788-V792 PolarHBondContact O-N 2.93Å |
| 789 | L | 82 | Confident | 81.5 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 178.2 | 174.2 | 63.8 | 0 | 0 | 0 | 111.1 | N785 L786 I787 V791 V792 L793 L821 L824 F828 L830 | N785-L789 VanDerWaalsContact O-CB 3.32Å; N785-L789 WeakPolarHBondContact O-CB 3.35Å; N785-L789 PolarHBondContact O-N 3.27Å; L786-L789 PolarHBondContact O-N 2.99Å; I787-L789 VanDerWaalsContact C-N 3.34Å; I787-L789 PolarHBondContact O-N 3.48Å; L789-V791 PolarHBondContact O-N 3.43Å; L789-V792 PolarHBondContact O-N 3.11Å; L789-L793 HydrophobicContact CD1-CD1 3.85Å; L789-L793 HydrophobicContact CD1-CG 3.98Å; L789-L793 HydrophobicContact CG-CD1 3.92Å; L789-L793 HydrophobicContact CG-CG 4.42Å; L789-L793 WeakPolarHBondContact O-CB 3.32Å; L789-L793 VanDerWaalsContact O-CG 3.24Å; L789-L793 WeakPolarHBondContact O-CG 3.41Å; L789-L793 PolarHBondContact O-N 2.86Å; L789-L821 HydrophobicContact CD2-CD2 3.94Å; L789-L821 HydrophobicContact CG-CD2 4.44Å; L789-L824 HydrophobicContact CD1-CB 3.96Å; L789-L824 HydrophobicContact CD1-CD1 3.65Å; L789-L824 HydrophobicContact CD1-CG 4.34Å; L789-F828 HydrophobicContact CB-CD2 4.31Å; L789-F828 HydrophobicContact CB-CE2 4.26Å; L789-F828 HydrophobicContact CD1-CD2 4.35Å; L789-F828 HydrophobicContact CD1-CE2 3.94Å; L789-F828 HydrophobicContact CD2-CD2 4.42Å; L789-L830 HydrophobicContact CD2-CD1 3.88Å |
| 790 | I | 82.4 | Confident | 80.3 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.3 | -68 | 165.9 | 0 | 0 | 0 | 110.7 | L786 I787 I788 V792 L793 Y794 | L786-I790 HydrophobicContact CD1-CD1 4.38Å; L786-I790 HydrophobicContact CG-CD1 4.17Å; L786-I790 VanDerWaalsContact O-CG1 3.31Å; L786-I790 WeakPolarHBondContact O-CG1 3.39Å; L786-I790 PolarHBondContact O-N 3.36Å; I787-I790 PolarHBondContact O-N 2.97Å; I788-I790 VanDerWaalsContact C-N 3.34Å; I788-I790 PolarHBondContact O-N 3.33Å; I790-V792 PolarHBondContact O-N 2.95Å; I790-L793 PolarHBondContact O-N 3.04Å; I790-Y794 VanDerWaalsContact O-CB 3.28Å; I790-Y794 WeakPolarHBondContact O-CB 3.5Å; I790-Y794 PolarHBondContact O-N 3.34Å |
| 791 | V | 84.1 | Confident | 78.6 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | L709 I787 I788 L789 K795 | L709-V791 HydrophobicContact CD1-CB 4.38Å; L709-V791 HydrophobicContact CD1-CG1 3.79Å; I787-V791 WeakPolarHBondContact O-CG2 3.4Å; I787-V791 PolarHBondContact O-N 3.39Å; I788-V791 PolarHBondContact O-N 3.33Å; L789-V791 PolarHBondContact O-N 3.43Å; V791-K795 WeakPolarHBondContact O-CB 3.31Å; V791-K795 PolarHBondContact O-N 2.84Å |
| 792 | V | 79 | Confident | 76.7 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 178.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | L709 T712 I788 L789 I790 K795 I796 | L709-V792 HydrophobicContact CD1-CG2 4.2Å; T712-V792 HydrophobicContact CG2-CG1 4.39Å; T712-V792 HydrophobicContact CG2-CG2 4.3Å; I788-V792 HydrophobicContact CG2-CG2 4.21Å; I788-V792 WeakPolarHBondContact O-CB 3.44Å; I788-V792 VanDerWaalsContact O-CG2 3.29Å; I788-V792 WeakPolarHBondContact O-CG2 3.44Å; I788-V792 PolarHBondContact O-N 2.93Å; L789-V792 PolarHBondContact O-N 3.11Å; I790-V792 PolarHBondContact O-N 2.95Å; V792-K795 PolarHBondContact O-N 2.7Å; V792-I796 HydrophobicContact CG1-CD1 3.64Å; V792-I796 HydrophobicContact CG1-CG1 4.37Å; V792-I796 WeakPolarHBondContact O-CB 3.43Å; V792-I796 VanDerWaalsContact O-CG1 3.23Å; V792-I796 WeakPolarHBondContact O-CG1 3.5Å; V792-I796 PolarHBondContact O-N 3.19Å |
| 793 | L | 75.8 | Confident | 75 | Confident | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 175.8 | -73 | 173.4 | 0 | 0 | 0 | 111.1 | L789 I790 K795 I796 L797 L821 | L789-L793 HydrophobicContact CD1-CD1 3.85Å; L789-L793 HydrophobicContact CD1-CG 3.98Å; L789-L793 HydrophobicContact CG-CD1 3.92Å; L789-L793 HydrophobicContact CG-CG 4.42Å; L789-L793 WeakPolarHBondContact O-CB 3.32Å; L789-L793 VanDerWaalsContact O-CG 3.24Å; L789-L793 WeakPolarHBondContact O-CG 3.41Å; L789-L793 PolarHBondContact O-N 2.86Å; I790-L793 PolarHBondContact O-N 3.04Å; L793-K795 VanDerWaalsContact C-N 3.34Å; L793-K795 PolarHBondContact O-N 3.41Å; L793-I796 PolarHBondContact O-N 2.98Å; L793-L797 WeakPolarHBondContact O-CB 3.2Å; L793-L797 WeakPolarHBondContact O-CG 3.37Å; L793-L797 PolarHBondContact O-N 2.84Å; L793-L821 HydrophobicContact CD1-CD2 3.58Å; L793-L821 HydrophobicContact CD1-CG 4.18Å |
| 794 | Y | 79.9 | Confident | 73.3 | Confident | 154 Ų | 154 | 74.5 Ų | 74.5 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -54.1 | -50.4 | 176.1 | 179 | -103.6 | 0 | 0 | 0 | 111 | I790 I796 L797 S798 | I790-Y794 VanDerWaalsContact O-CB 3.28Å; I790-Y794 WeakPolarHBondContact O-CB 3.5Å; I790-Y794 PolarHBondContact O-N 3.34Å; Y794-I796 PolarHBondContact O-N 3.01Å; Y794-L797 PolarHBondContact O-N 2.75Å; Y794-S798 WeakPolarHBondContact O-CB 3.27Å; Y794-S798 PolarHBondContact O-N 2.81Å; Y794-S798 PolarHBondContact O-OG 2.9Å |
| 795 | K | 74.8 | Confident | 71.3 | Confident | 93 Ų | 93 | 74.5 Ų | 74.5 | 40% | 0.404 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 179 | -78.8 | -70.1 | -173.3 | 179.1 | 0 | 114.2 | T712 V791 V792 L793 R799 | T712-K795 HydrophobicContact CG2-CB 3.77Å; T712-K795 HydrophobicContact CG2-CG 4.46Å; V791-K795 WeakPolarHBondContact O-CB 3.31Å; V791-K795 PolarHBondContact O-N 2.84Å; V792-K795 PolarHBondContact O-N 2.7Å; L793-K795 VanDerWaalsContact C-N 3.34Å; L793-K795 PolarHBondContact O-N 3.41Å; K795-R799 WeakPolarHBondContact O-CB 3.43Å; K795-R799 WeakPolarHBondContact O-CG 3.16Å; K795-R799 PolarHBondContact O-N 2.92Å; K795-R799 VanDerWaalsContact O-N 3.14Å; K795-R799 PolarHBondContact O-NE 2.88Å |
| 796 | I | 70.9 | Confident | 69.7 | Low | 66 Ų | 66 | 78.4 Ų | 78.4 | 34% | 0.338 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 174.6 | -71.7 | 169.3 | 0 | 0 | 0 | 110.4 | V792 L793 Y794 R800 | V792-I796 HydrophobicContact CG1-CD1 3.64Å; V792-I796 HydrophobicContact CG1-CG1 4.37Å; V792-I796 WeakPolarHBondContact O-CB 3.43Å; V792-I796 VanDerWaalsContact O-CG1 3.23Å; V792-I796 WeakPolarHBondContact O-CG1 3.5Å; V792-I796 PolarHBondContact O-N 3.19Å; L793-I796 PolarHBondContact O-N 2.98Å; Y794-I796 PolarHBondContact O-N 3.01Å; I796-R800 PolarHBondContact O-N 2.84Å |
| 797 | L | 68.3 | Low | 68.1 | Low | 59 Ų | 59 | 82.4 Ų | 82.4 | 31% | 0.309 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.5 | -44.9 | 178.3 | -67.3 | 170.1 | 0 | 0 | 0 | 111.6 | L793 Y794 R799 R800 G801 V813 I817 | L793-L797 WeakPolarHBondContact O-CB 3.2Å; L793-L797 WeakPolarHBondContact O-CG 3.37Å; L793-L797 PolarHBondContact O-N 2.84Å; Y794-L797 PolarHBondContact O-N 2.75Å; L797-R799 VanDerWaalsContact C-N 3.26Å; L797-R799 PolarHBondContact O-N 2.83Å; L797-R800 PolarHBondContact O-N 2.76Å; L797-G801 PolarHBondContact O-N 2.95Å; L797-V813 HydrophobicContact CD2-CG1 3.83Å; L797-I817 HydrophobicContact CD1-CD1 3.68Å; L797-I817 HydrophobicContact CD1-CG1 4.01Å; L797-I817 HydrophobicContact CD2-CD1 3.73Å; L797-I817 HydrophobicContact CD2-CG1 3.79Å; L797-I817 HydrophobicContact CG-CD1 4.34Å; L797-I817 HydrophobicContact CG-CG1 4.42Å |
| 798 | S | 68.8 | Low | 66.5 | Low | 62 Ų | 62 | 81.3 Ų | 81.3 | 43% | 0.434 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -31.9 | 175.7 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | Y794 R800 | Y794-S798 WeakPolarHBondContact O-CB 3.27Å; Y794-S798 PolarHBondContact O-N 2.81Å; Y794-S798 PolarHBondContact O-OG 2.9Å; S798-R800 VanDerWaalsContact C-N 3.34Å |
| 799 | R | 65.2 | Low | 65.1 | Low | 135 Ų | 135 | 84.7 Ų | 84.7 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.2 | -21.1 | 174.1 | -78.9 | -172.6 | -74.2 | -141.9 | 0.5 | 113.8 | T712 K795 L797 | T712-R799 PolarHBondContact O-NH1 3.38Å; K795-R799 WeakPolarHBondContact O-CB 3.43Å; K795-R799 WeakPolarHBondContact O-CG 3.16Å; K795-R799 PolarHBondContact O-N 2.92Å; K795-R799 VanDerWaalsContact O-N 3.14Å; K795-R799 PolarHBondContact O-NE 2.88Å; L797-R799 VanDerWaalsContact C-N 3.26Å; L797-R799 PolarHBondContact O-N 2.83Å |
| 800 | R | 60.8 | Low | 63.9 | Low | 160 Ų | 160 | 90.8 Ų | 90.8 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -93.8 | -29.3 | 177.2 | -101.3 | 176.6 | 176.8 | 160.5 | -1.7 | 113.3 | I796 L797 S798 G802 | I796-R800 PolarHBondContact O-N 2.84Å; L797-R800 PolarHBondContact O-N 2.76Å; S798-R800 VanDerWaalsContact C-N 3.34Å; R800-G802 PolarHBondContact O-N 3.45Å |
| 801 | G | 53.3 | Low | 62.6 | Low | 67 Ų | 67 | 93.7 Ų | 93.7 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | trans | -73.8 | 19.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | L797 | L797-G801 PolarHBondContact O-N 2.95Š| ||
| 802 | G | 52.6 | Low | 61.6 | Low | 76 Ų | 76 | 96.4 Ų | 96.4 | 78% | 0.784 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -90.8 | 11.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R800 | R800-G802 PolarHBondContact O-N 3.45Š|
| 803 | A | 50.2 | Low | 60.7 | Low | 72 Ų | 72 | 98 Ų | 98 | 60% | 0.595 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -147 | 134.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | A805 | A803-A805 PolarHBondContact O-N 2.9Š|
| 804 | N | 52.9 | Low | 59.8 | Low | 176 Ų | 176 | 102.5 Ų | 102.5 | 94% | 0.941 | 56% | 0.562 | S | S | * | * | trans | -46.2 | 122.4 | -175.4 | -65.4 | -24.9 | 0 | 0 | 0 | 113.1 | ||||
| 805 | A | 47.1 | Very low | 59 | Low | 62 Ų | 62 | 101.7 Ų | 101.7 | 51% | 0.512 | 56% | 0.559 | S | S | . | * | trans | -117.2 | 133.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A803 E809 | A803-A805 PolarHBondContact O-N 2.9Å; A805-E809 WeakPolarHBondContact CA-OE2 3.46Å; A805-E809 HydrophobicContact CB-CB 3.93Å; A805-E809 HydrophobicContact CB-CG 3.84Å; A805-E809 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 806 | S | 56.8 | Low | 58.3 | Low | 82 Ų | 82 | 99 Ų | 99 | 57% | 0.573 | 55% | 0.55 | S | S | * | . | trans | -87 | 169.2 | 179.3 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | A808 E809 E810 | S806-A808 PolarHBondContact O-N 2.97Å; S806-E809 WeakPolarHBondContact O-CA 3.26Å; S806-E809 WeakPolarHBondContact O-CB 3.4Å; S806-E809 PolarHBondContact O-N 3.26Å; S806-E810 PolarHBondContact O-N 3.1Å | ||
| 807 | Q | 51.4 | Low | 57.8 | Low | 162 Ų | 162 | 97.8 Ų | 97.8 | 76% | 0.757 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.7 | -21.9 | -176 | -144.2 | 178.6 | 20.3 | 0 | 0 | 115.4 | ||
| 808 | A | 53.6 | Low | 57.3 | Low | 75 Ų | 75 | 97.4 Ų | 97.4 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -77.1 | -27 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S806 H812 | S806-A808 PolarHBondContact O-N 2.97Å; A808-H812 PolarHBondContact O-N 3.35Å |
| 809 | E | 57.7 | Low | 57.1 | Low | 81 Ų | 81 | 101.4 Ų | 101.4 | 38% | 0.379 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -78.8 | -31.3 | 178.8 | -159.6 | 167.2 | 178.5 | 0 | 0 | 111.2 | A805 S806 H812 V813 | A805-E809 WeakPolarHBondContact CA-OE2 3.46Å; A805-E809 HydrophobicContact CB-CB 3.93Å; A805-E809 HydrophobicContact CB-CG 3.84Å; A805-E809 WeakPolarHBondContact CB-OE2 3.47Å; S806-E809 WeakPolarHBondContact O-CA 3.26Å; S806-E809 WeakPolarHBondContact O-CB 3.4Å; S806-E809 PolarHBondContact O-N 3.26Å; E809-H812 CarbonylContact O-C 3.49Å; E809-H812 PolarHBondContact O-N 3.28Å; E809-V813 VanDerWaalsContact O-CB 3.31Å; E809-V813 WeakPolarHBondContact O-CB 3.11Å; E809-V813 WeakPolarHBondContact O-CG2 3.39Å; E809-V813 PolarHBondContact O-N 2.97Å |
| 810 | E | 56.8 | Low | 56.9 | Low | 131 Ų | 131 | 96.9 Ų | 96.9 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 171.9 | -67.3 | -174.3 | 156.4 | 0 | 0 | 112.8 | S806 H812 V813 L814 | S806-E810 PolarHBondContact O-N 3.1Å; E810-H812 VanDerWaalsContact C-N 3.33Å; E810-H812 PolarHBondContact O-N 3.45Å; E810-V813 PolarHBondContact O-N 3.48Å; E810-L814 WeakPolarHBondContact O-CB 3.33Å; E810-L814 PolarHBondContact O-N 3.41Å |
| 811 | K | 55.1 | Low | 57 | Low | 161 Ų | 161 | 92.4 Ų | 92.4 | 70% | 0.7 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -36.5 | 175.2 | -69.8 | -177.3 | -179.8 | 177.9 | 0 | 111.8 | Y815 | K811-Y815 VanDerWaalsContact O-CB 3.23Å; K811-Y815 WeakPolarHBondContact O-CB 3.41Å; K811-Y815 PolarHBondContact O-N 2.93Å |
| 812 | H | 62.4 | Low | 57.4 | Low | 111 Ų | 111 | 92 Ų | 92 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.4 | -38.2 | 174.4 | -178.9 | -99.7 | 0 | 0 | 0 | 111.9 | A808 E809 E810 Y815 V816 | A808-H812 PolarHBondContact O-N 3.35Å; E809-H812 CarbonylContact O-C 3.49Å; E809-H812 PolarHBondContact O-N 3.28Å; E810-H812 VanDerWaalsContact C-N 3.33Å; E810-H812 PolarHBondContact O-N 3.45Å; H812-Y815 PolarHBondContact O-N 2.92Å; H812-V816 WeakPolarHBondContact O-CB 3.45Å; H812-V816 WeakPolarHBondContact O-CG2 3.45Å; H812-V816 PolarHBondContact O-N 3.39Å |
| 813 | V | 59.9 | Low | 57.9 | Low | 51 Ų | 51 | 90.1 Ų | 90.1 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 174 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | L797 E809 E810 Y815 V816 I817 | L797-V813 HydrophobicContact CD2-CG1 3.83Å; E809-V813 VanDerWaalsContact O-CB 3.31Å; E809-V813 WeakPolarHBondContact O-CB 3.11Å; E809-V813 WeakPolarHBondContact O-CG2 3.39Å; E809-V813 PolarHBondContact O-N 2.97Å; E810-V813 PolarHBondContact O-N 3.48Å; V813-Y815 PolarHBondContact O-N 3.05Å; V813-V816 PolarHBondContact O-N 3.33Å; V813-I817 HydrophobicContact CG1-CD1 3.74Å; V813-I817 HydrophobicContact CG1-CG1 4.43Å; V813-I817 WeakPolarHBondContact O-CB 3.42Å; V813-I817 WeakPolarHBondContact O-CG1 3.34Å; V813-I817 PolarHBondContact O-N 3.18Å |
| 814 | L | 57.9 | Low | 58.7 | Low | 117 Ų | 117 | 88.4 Ų | 88.4 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 174.6 | -174.5 | 66.4 | 0 | 0 | 0 | 111.7 | E810 V816 I817 A818 | E810-L814 WeakPolarHBondContact O-CB 3.33Å; E810-L814 PolarHBondContact O-N 3.41Å; L814-V816 PolarHBondContact O-N 3.39Å; L814-I817 PolarHBondContact O-N 3.46Å; L814-A818 VanDerWaalsContact O-CB 3.23Å; L814-A818 WeakPolarHBondContact O-CB 3.39Å; L814-A818 PolarHBondContact O-N 3.36Å |
| 815 | Y | 63.3 | Low | 59.3 | Low | 137 Ų | 137 | 82 Ų | 82 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 175.2 | 177.1 | -99.4 | 0 | 0 | 0 | 112.2 | K811 H812 V813 R819 | K811-Y815 VanDerWaalsContact O-CB 3.23Å; K811-Y815 WeakPolarHBondContact O-CB 3.41Å; K811-Y815 PolarHBondContact O-N 2.93Å; H812-Y815 PolarHBondContact O-N 2.92Å; V813-Y815 PolarHBondContact O-N 3.05Å; Y815-R819 WeakPolarHBondContact O-CB 3.23Å; Y815-R819 PolarHBondContact O-N 3.24Å |
| 816 | V | 60.1 | Low | 60.1 | Low | 35 Ų | 35 | 79.4 Ų | 79.4 | 21% | 0.212 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | H812 V813 L814 S820 | H812-V816 WeakPolarHBondContact O-CB 3.45Å; H812-V816 WeakPolarHBondContact O-CG2 3.45Å; H812-V816 PolarHBondContact O-N 3.39Å; V813-V816 PolarHBondContact O-N 3.33Å; L814-V816 PolarHBondContact O-N 3.39Å; V816-S820 VanDerWaalsContact O-CB 3.23Å; V816-S820 WeakPolarHBondContact O-CB 3.11Å; V816-S820 PolarHBondContact O-N 3.4Å; V816-S820 PolarHBondContact O-OG 3.08Å |
| 817 | I | 59.9 | Low | 60.7 | Low | 41 Ų | 41 | 77 Ų | 77 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.5 | -50.8 | 174 | -68.2 | 164.8 | 0 | 0 | 0 | 110.3 | L797 V813 L814 R819 S820 L821 | L797-I817 HydrophobicContact CD1-CD1 3.68Å; L797-I817 HydrophobicContact CD1-CG1 4.01Å; L797-I817 HydrophobicContact CD2-CD1 3.73Å; L797-I817 HydrophobicContact CD2-CG1 3.79Å; L797-I817 HydrophobicContact CG-CD1 4.34Å; L797-I817 HydrophobicContact CG-CG1 4.42Å; V813-I817 HydrophobicContact CG1-CD1 3.74Å; V813-I817 HydrophobicContact CG1-CG1 4.43Å; V813-I817 WeakPolarHBondContact O-CB 3.42Å; V813-I817 WeakPolarHBondContact O-CG1 3.34Å; V813-I817 PolarHBondContact O-N 3.18Å; L814-I817 PolarHBondContact O-N 3.46Å; I817-R819 VanDerWaalsContact C-N 3.34Å; I817-R819 PolarHBondContact O-N 3.03Å; I817-S820 PolarHBondContact O-N 3.06Å; I817-L821 HydrophobicContact CG2-CD1 3.75Å; I817-L821 HydrophobicContact CG2-CG 4.3Å; I817-L821 WeakPolarHBondContact O-CB 3.43Å; I817-L821 VanDerWaalsContact O-CG 3.3Å; I817-L821 WeakPolarHBondContact O-CG 3.48Å; I817-L821 PolarHBondContact O-N 3.11Å |
| 818 | A | 57.1 | Low | 61.8 | Low | 51 Ų | 51 | 69.5 Ų | 69.5 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L814 A822 | L814-A818 VanDerWaalsContact O-CB 3.23Å; L814-A818 WeakPolarHBondContact O-CB 3.39Å; L814-A818 PolarHBondContact O-N 3.36Å; A818-A822 VanDerWaalsContact O-CB 3.22Å; A818-A822 WeakPolarHBondContact O-CB 3.21Å; A818-A822 PolarHBondContact O-N 3.39Å |
| 819 | R | 64.4 | Low | 62.8 | Low | 146 Ų | 146 | 66 Ų | 66 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 174.3 | -178 | -179.8 | 177.8 | 177.7 | 2.9 | 111.8 | Y815 I817 A822 V823 | Y815-R819 WeakPolarHBondContact O-CB 3.23Å; Y815-R819 PolarHBondContact O-N 3.24Å; I817-R819 VanDerWaalsContact C-N 3.34Å; I817-R819 PolarHBondContact O-N 3.03Å; R819-A822 PolarHBondContact O-N 3.32Å; R819-V823 HydrophobicContact CG-CG2 4.39Å; R819-V823 WeakPolarHBondContact O-CB 3.41Å; R819-V823 WeakPolarHBondContact O-CG2 3.4Å; R819-V823 PolarHBondContact O-N 3.01Å |
| 820 | S | 61.7 | Low | 63.6 | Low | 40 Ų | 40 | 63.6 Ų | 63.6 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 176.9 | -81 | 0 | 0 | 0 | 0 | 111.5 | V816 I817 V823 L824 | V816-S820 VanDerWaalsContact O-CB 3.23Å; V816-S820 WeakPolarHBondContact O-CB 3.11Å; V816-S820 PolarHBondContact O-N 3.4Å; V816-S820 PolarHBondContact O-OG 3.08Å; I817-S820 PolarHBondContact O-N 3.06Å; S820-V823 PolarHBondContact O-N 3.08Å; S820-L824 WeakPolarHBondContact O-CB 3.5Å; S820-L824 VanDerWaalsContact O-CD1 3.24Å; S820-L824 WeakPolarHBondContact O-CD1 3.48Å; S820-L824 WeakPolarHBondContact O-CG 3.27Å; S820-L824 PolarHBondContact O-N 2.92Å |
| 821 | L | 63.3 | Low | 64.5 | Low | 66 Ų | 66 | 57.9 Ų | 57.9 | 35% | 0.346 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 173.7 | -72.2 | 171.4 | 0 | 0 | 0 | 110.9 | L789 L793 I817 V823 L824 T825 | L789-L821 HydrophobicContact CD2-CD2 3.94Å; L789-L821 HydrophobicContact CG-CD2 4.44Å; L793-L821 HydrophobicContact CD1-CD2 3.58Å; L793-L821 HydrophobicContact CD1-CG 4.18Å; I817-L821 HydrophobicContact CG2-CD1 3.75Å; I817-L821 HydrophobicContact CG2-CG 4.3Å; I817-L821 WeakPolarHBondContact O-CB 3.43Å; I817-L821 VanDerWaalsContact O-CG 3.3Å; I817-L821 WeakPolarHBondContact O-CG 3.48Å; I817-L821 PolarHBondContact O-N 3.11Å; L821-V823 PolarHBondContact O-N 2.92Å; L821-L824 PolarHBondContact O-N 3.45Å; L821-T825 WeakPolarHBondContact O-CB 3.5Å; L821-T825 PolarHBondContact O-N 3.12Å; L821-T825 PolarHBondContact O-OG1 2.89Å |
| 822 | A | 60.7 | Low | 65.6 | Low | 58 Ų | 58 | 52 Ų | 52 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -31.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A818 R819 P826 | A818-A822 VanDerWaalsContact O-CB 3.22Å; A818-A822 WeakPolarHBondContact O-CB 3.21Å; A818-A822 PolarHBondContact O-N 3.39Å; R819-A822 PolarHBondContact O-N 3.32Å; A822-P826 WeakPolarHBondContact O-CD 3.35Å |
| 823 | V | 62.8 | Low | 66 | Low | 37 Ų | 37 | 48.1 Ų | 48.1 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -81 | -38.4 | 177.7 | 170.4 | 0 | 0 | 0 | 0 | 112 | R819 S820 L821 L827 F865 | R819-V823 HydrophobicContact CG-CG2 4.39Å; R819-V823 WeakPolarHBondContact O-CB 3.41Å; R819-V823 WeakPolarHBondContact O-CG2 3.4Å; R819-V823 PolarHBondContact O-N 3.01Å; S820-V823 PolarHBondContact O-N 3.08Å; L821-V823 PolarHBondContact O-N 2.92Å; V823-L827 WeakPolarHBondContact O-CD1 3.22Å; V823-F865 HydrophobicContact CB-CD1 3.86Å; V823-F865 HydrophobicContact CB-CE1 4.27Å; V823-F865 HydrophobicContact CB-CG 4.44Å; V823-F865 HydrophobicContact CG1-CB 4.11Å; V823-F865 HydrophobicContact CG1-CD1 3.84Å; V823-F865 HydrophobicContact CG1-CG 4.23Å; V823-F865 HydrophobicContact CG2-CD1 3.42Å; V823-F865 VanDerWaalsContact CG2-CD1 3.42Å; V823-F865 HydrophobicContact CG2-CE1 3.49Å; V823-F865 VanDerWaalsContact CG2-CE1 3.49Å; V823-F865 HydrophobicContact CG2-CG 4.43Å |
| 824 | L | 66.6 | Low | 66.6 | Low | 36 Ų | 36 | 48.7 Ų | 48.7 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -88.4 | -25.5 | -172.1 | -69.9 | 157.9 | 0 | 0 | 0 | 112.9 | L708 L789 S820 L821 L827 F828 | L708-L824 HydrophobicContact CD1-CD2 4.5Å; L789-L824 HydrophobicContact CD1-CB 3.96Å; L789-L824 HydrophobicContact CD1-CD1 3.65Å; L789-L824 HydrophobicContact CD1-CG 4.34Å; S820-L824 WeakPolarHBondContact O-CB 3.5Å; S820-L824 VanDerWaalsContact O-CD1 3.24Å; S820-L824 WeakPolarHBondContact O-CD1 3.48Å; S820-L824 WeakPolarHBondContact O-CG 3.27Å; S820-L824 PolarHBondContact O-N 2.92Å; L821-L824 PolarHBondContact O-N 3.45Å; L824-L827 PolarHBondContact O-N 2.97Å; L824-F828 HydrophobicContact CB-CD2 4.01Å; L824-F828 HydrophobicContact CB-CE2 3.86Å; L824-F828 HydrophobicContact CD2-CD2 4.44Å; L824-F828 HydrophobicContact CD2-CE1 4.43Å; L824-F828 HydrophobicContact CD2-CE2 3.59Å; L824-F828 HydrophobicContact CD2-CZ 3.59Å; L824-F828 HydrophobicContact CG-CE2 4.23Å; L824-F828 WeakPolarHBondContact O-CB 3.39Å; L824-F828 WeakPolarHBondContact O-CD2 3.25Å; L824-F828 WeakPolarHBondContact O-CG 3.21Å; L824-F828 PolarHBondContact O-N 3.42Å; L824-F828 VanDerWaalsContact O-N 3.08Å |
| 825 | T | 67.3 | Low | 67.1 | Low | 43 Ų | 43 | 43.5 Ų | 43.5 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.4 | -47.6 | -178 | -69.1 | 0 | 0 | 0 | 0 | 113.2 | L821 L830 | L821-T825 WeakPolarHBondContact O-CB 3.5Å; L821-T825 PolarHBondContact O-N 3.12Å; L821-T825 PolarHBondContact O-OG1 2.89Å; T825-L830 HydrophobicContact CG2-CB 3.82Å; T825-L830 HydrophobicContact CG2-CD1 4.27Å; T825-L830 PolarHBondContact O-N 3.32Å |
| 826 | P | 63.8 | Low | 67.5 | Low | 7 Ų | 7 | 39.6 Ų | 39.6 | 5% | 0.045 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.5 | -32.6 | 176.4 | -17.9 | 32.8 | 0 | 0 | 0 | 113.3 | A822 F828 G829 F861 | A822-P826 WeakPolarHBondContact O-CD 3.35Å; P826-F828 VanDerWaalsContact C-N 3.27Å; P826-F828 PolarHBondContact O-N 3.49Å; P826-G829 PolarHBondContact O-N 2.76Å; P826-F861 HydrophobicContact CB-CB 3.57Å; P826-F861 HydrophobicContact CB-CD2 3.83Å; P826-F861 HydrophobicContact CB-CG 4.02Å; P826-F861 HydrophobicContact CG-CB 3.88Å; P826-F861 HydrophobicContact CG-CD2 3.68Å; P826-F861 HydrophobicContact CG-CE2 4.37Å; P826-F861 HydrophobicContact CG-CG 3.88Å |
| 827 | L | 68.1 | Low | 67.7 | Low | 30 Ų | 30 | 38.7 Ų | 38.7 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.3 | -19.2 | -178.6 | -71.7 | 174.7 | 0 | 0 | 0 | 113.4 | V823 L824 I862 F865 | V823-L827 WeakPolarHBondContact O-CD1 3.22Å; L824-L827 PolarHBondContact O-N 2.97Å; L827-I862 HydrophobicContact CD2-CG1 4.41Å; L827-F865 HydrophobicContact CD1-CB 4.18Å |
| 828 | F | 76.1 | Confident | 67.9 | Low | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 4.1 | 179.5 | -66.3 | -26.5 | 0 | 0 | 0 | 114.4 | A705 L708 N785 L789 L824 P826 L830 | A705-F828 HydrophobicContact CB-CD1 4.21Å; A705-F828 HydrophobicContact CB-CE1 4.01Å; A705-F828 HydrophobicContact CB-CZ 4.44Å; L708-F828 HydrophobicContact CD1-CE1 3.76Å; L708-F828 HydrophobicContact CD1-CZ 3.44Å; L708-F828 VanDerWaalsContact CD1-CZ 3.44Å; N785-F828 HydrophobicContact CB-CB 4.21Å; N785-F828 PolarHBondContact ND2-O 2.96Å; N785-F828 VanDerWaalsContact ND2-O 3.08Å; L789-F828 HydrophobicContact CB-CD2 4.31Å; L789-F828 HydrophobicContact CB-CE2 4.26Å; L789-F828 HydrophobicContact CD1-CD2 4.35Å; L789-F828 HydrophobicContact CD1-CE2 3.94Å; L789-F828 HydrophobicContact CD2-CD2 4.42Å; L824-F828 HydrophobicContact CB-CD2 4.01Å; L824-F828 HydrophobicContact CB-CE2 3.86Å; L824-F828 HydrophobicContact CD2-CD2 4.44Å; L824-F828 HydrophobicContact CD2-CE1 4.43Å; L824-F828 HydrophobicContact CD2-CE2 3.59Å; L824-F828 HydrophobicContact CD2-CZ 3.59Å; L824-F828 HydrophobicContact CG-CE2 4.23Å; L824-F828 WeakPolarHBondContact O-CB 3.39Å; L824-F828 WeakPolarHBondContact O-CD2 3.25Å; L824-F828 WeakPolarHBondContact O-CG 3.21Å; L824-F828 PolarHBondContact O-N 3.42Å; L824-F828 VanDerWaalsContact O-N 3.08Å; P826-F828 VanDerWaalsContact C-N 3.27Å; P826-F828 PolarHBondContact O-N 3.49Å; F828-L830 VanDerWaalsContact C-N 3.34Å; F828-L830 HydrophobicContact CB-CG 4.48Å; F828-L830 PolarHBondContact O-N 3.17Å |
| 829 | G | 72.9 | Confident | 68.2 | Low | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 18.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M701 V782 P826 T831 W832 | M701-G829 PolarHBondContact SD-N 2.99Å; M701-G829 VanDerWaalsContact SD-N 3.41Å; V782-G829 WeakPolarHBondContact CG2-O 3.48Å; P826-G829 PolarHBondContact O-N 2.76Å; G829-T831 PolarHBondContact O-N 3.4Å; G829-W832 WeakPolarHBondContact O-CB 3.42Å; G829-W832 PolarHBondContact O-N 2.9Å; G829-W832 VanDerWaalsContact O-N 3.09Å |
| 830 | L | 74.6 | Confident | 68.3 | Low | 32 Ų | 32 | 38.4 Ų | 38.4 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -64.1 | -23.3 | -178.5 | -67.2 | -175.7 | 0 | 0 | 0 | 113.1 | V782 L786 L789 T825 F828 W832 G833 | V782-L830 HydrophobicContact CG1-CD2 3.98Å; L786-L830 HydrophobicContact CB-CD2 3.97Å; L786-L830 HydrophobicContact CD1-CD1 4.22Å; L786-L830 HydrophobicContact CD1-CD2 4.24Å; L789-L830 HydrophobicContact CD2-CD1 3.88Å; T825-L830 HydrophobicContact CG2-CB 3.82Å; T825-L830 HydrophobicContact CG2-CD1 4.27Å; T825-L830 PolarHBondContact O-N 3.32Å; F828-L830 VanDerWaalsContact C-N 3.34Å; F828-L830 HydrophobicContact CB-CG 4.48Å; F828-L830 PolarHBondContact O-N 3.17Å; L830-W832 PolarHBondContact O-N 3Å; L830-G833 PolarHBondContact O-N 3.36Å; L830-G833 VanDerWaalsContact O-N 3.13Å |
| 831 | T | 76.6 | Confident | 68.3 | Low | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -62.1 | -26.1 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | G829 G833 L834 F854 | G829-T831 PolarHBondContact O-N 3.4Å; T831-G833 PolarHBondContact O-N 3.19Å; T831-L834 WeakPolarHBondContact O-CB 3.49Å; T831-L834 WeakPolarHBondContact O-CG 3Å; T831-L834 PolarHBondContact O-N 3.14Å; T831-L834 VanDerWaalsContact O-N 3.15Å; T831-F854 HydrophobicContact CG2-CB 4.48Å; T831-F854 HydrophobicContact CG2-CD1 4Å |
| 832 | W | 77.3 | Confident | 68.1 | Low | 37 Ų | 37 | 39.9 Ų | 39.9 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -69.9 | -18 | 176.6 | -71.5 | 79.8 | 0 | 0 | 0 | 113.1 | Y694 F698 F774 V782 G829 L830 L834 G835 F851 N855 | Y694-W832 HydrophobicContact CD1-CH2 4.21Å; Y694-W832 HydrophobicContact CD1-CZ2 4.42Å; Y694-W832 HydrophobicContact CE1-CH2 4.19Å; Y694-W832 HydrophobicContact CE1-CZ2 4.38Å; F698-W832 HydrophobicContact CE1-CB 4.07Å; F698-W832 HydrophobicContact CE1-CD2 4.25Å; F698-W832 AromaticContact CE1-CG 3.85Å; F698-W832 HydrophobicContact CE1-CG 3.85Å; F698-W832 HydrophobicContact CE2-CD2 4.22Å; F698-W832 HydrophobicContact CE2-CE3 4.31Å; F698-W832 HydrophobicContact CZ-CB 3.96Å; F698-W832 AromaticContact CZ-CD1 3.92Å; F698-W832 AromaticContact CZ-CD2 3.4Å; F698-W832 HydrophobicContact CZ-CD2 3.4Å; F698-W832 VanDerWaalsContact CZ-CD2 3.4Å; F698-W832 AromaticContact CZ-CE2 3.8Å; F698-W832 AromaticContact CZ-CE3 3.76Å; F698-W832 HydrophobicContact CZ-CE3 3.76Å; F698-W832 AromaticContact CZ-CG 3.48Å; F698-W832 HydrophobicContact CZ-CG 3.48Å; F698-W832 VanDerWaalsContact CZ-CG 3.48Å; F698-W832 HydrophobicContact CZ-CZ2 4.46Å; F698-W832 HydrophobicContact CZ-CZ3 4.4Å; F774-W832 HydrophobicContact CE1-CZ3 4.4Å; F774-W832 HydrophobicContact CZ-CZ3 4.16Å; V782-W832 HydrophobicContact CG2-CB 4.38Å; G829-W832 WeakPolarHBondContact O-CB 3.42Å; G829-W832 PolarHBondContact O-N 2.9Å; G829-W832 VanDerWaalsContact O-N 3.09Å; L830-W832 PolarHBondContact O-N 3Å; W832-L834 PolarHBondContact O-N 3.49Å; W832-G835 WeakPolarHBondContact O-CA 3.27Å; W832-G835 PolarHBondContact O-N 2.73Å; W832-F851 HydrophobicContact CE3-CE2 4.42Å; W832-F851 HydrophobicContact CE3-CZ 4.14Å; W832-F851 HydrophobicContact CZ3-CZ 4.24Å; W832-N855 WeakPolarHBondContact CZ2-OD1 3.43Å; W832-N855 PolarHBondContact NE1-OD1 3.07Å |
| 833 | G | 71.5 | Confident | 67.7 | Low | 30 Ų | 30 | 46.3 Ų | 46.3 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -60.2 | -26 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L830 T831 G835 V836 | L830-G833 PolarHBondContact O-N 3.36Å; L830-G833 VanDerWaalsContact O-N 3.13Å; T831-G833 PolarHBondContact O-N 3.19Å; G833-G835 PolarHBondContact O-N 3.32Å; G833-V836 WeakPolarHBondContact O-CB 3.36Å; G833-V836 PolarHBondContact O-N 3.43Å; G833-V836 VanDerWaalsContact O-N 3.11Å |
| 834 | L | 73.6 | Confident | 67.9 | Low | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.335 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.3 | -22.8 | 172.3 | -61.6 | 174.3 | 0 | 0 | 0 | 112.3 | T831 W832 V836 G837 V838 T850 F851 F854 | T831-L834 WeakPolarHBondContact O-CB 3.49Å; T831-L834 WeakPolarHBondContact O-CG 3Å; T831-L834 PolarHBondContact O-N 3.14Å; T831-L834 VanDerWaalsContact O-N 3.15Å; W832-L834 PolarHBondContact O-N 3.49Å; L834-V836 PolarHBondContact O-N 2.76Å; L834-G837 PolarHBondContact O-N 3.47Å; L834-G837 VanDerWaalsContact O-N 3.12Å; L834-V838 PolarHBondContact O-N 3.09Å; L834-T850 HydrophobicContact CD1-CG2 4.32Å; L834-F851 HydrophobicContact CB-CD2 4.21Å; L834-F854 HydrophobicContact CD1-CB 4.12Å; L834-F854 HydrophobicContact CD1-CD1 4.49Å; L834-F854 HydrophobicContact CD1-CD2 3.75Å; L834-F854 HydrophobicContact CD1-CE2 4.28Å; L834-F854 HydrophobicContact CD1-CG 3.87Å |
| 835 | G | 67.9 | Low | 67.9 | Low | 8 Ų | 8 | 53.3 Ų | 53.3 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -29.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W832 G833 G837 V838 L839 F851 | W832-G835 WeakPolarHBondContact O-CA 3.27Å; W832-G835 PolarHBondContact O-N 2.73Å; G833-G835 PolarHBondContact O-N 3.32Å; G835-G837 PolarHBondContact O-N 2.97Å; G835-V838 WeakPolarHBondContact O-CA 3.31Å; G835-V838 WeakPolarHBondContact O-CB 3.35Å; G835-V838 PolarHBondContact O-N 3.13Å; G835-L839 WeakPolarHBondContact O-CD1 3.33Å; G835-L839 PolarHBondContact O-N 2.94Å; G835-F851 VanDerWaalsContact CA-CE2 3.43Å |
| 836 | V | 71.4 | Confident | 67.8 | Low | 54 Ų | 54 | 52.9 Ų | 52.9 | 33% | 0.327 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -37.1 | 173.7 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L779 G833 L834 V838 L839 I840 | L779-V836 HydrophobicContact CD1-CG2 3.84Å; L779-V836 HydrophobicContact CD2-CG2 3.48Å; L779-V836 VanDerWaalsContact CD2-CG2 3.48Å; L779-V836 HydrophobicContact CG-CG2 4.33Å; G833-V836 WeakPolarHBondContact O-CB 3.36Å; G833-V836 PolarHBondContact O-N 3.43Å; G833-V836 VanDerWaalsContact O-N 3.11Å; L834-V836 PolarHBondContact O-N 2.76Å; V836-V838 VanDerWaalsContact C-N 3.3Å; V836-V838 PolarHBondContact O-N 3.48Å; V836-L839 PolarHBondContact O-N 2.98Å; V836-I840 HydrophobicContact CG1-CD1 3.6Å; V836-I840 HydrophobicContact CG1-CG1 4.21Å; V836-I840 VanDerWaalsContact O-CG1 3.31Å; V836-I840 WeakPolarHBondContact O-CG1 3.37Å; V836-I840 PolarHBondContact O-N 2.73Å |
| 837 | G | 63.8 | Low | 68.1 | Low | 16 Ų | 16 | 55.4 Ų | 55.4 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.8 | -30 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L834 G835 S841 M847 | L834-G837 PolarHBondContact O-N 3.47Å; L834-G837 VanDerWaalsContact O-N 3.12Å; G835-G837 PolarHBondContact O-N 2.97Å; G837-S841 PolarHBondContact O-N 3.23Å; G837-M847 VanDerWaalsContact CA-CE 3.46Å |
| 838 | V | 64.9 | Low | 68 | Low | 24 Ų | 24 | 56.8 Ų | 56.8 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 170.3 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L834 G835 V836 S841 P842 M847 H848 F851 | L834-V838 PolarHBondContact O-N 3.09Å; G835-V838 WeakPolarHBondContact O-CA 3.31Å; G835-V838 WeakPolarHBondContact O-CB 3.35Å; G835-V838 PolarHBondContact O-N 3.13Å; V836-V838 VanDerWaalsContact C-N 3.3Å; V836-V838 PolarHBondContact O-N 3.48Å; V838-S841 CarbonylContact O-C 3.49Å; V838-P842 VanDerWaalsContact O-CA 3.28Å; V838-P842 WeakPolarHBondContact O-CA 3.3Å; V838-M847 HydrophobicContact CG2-CB 4.33Å; V838-H848 WeakPolarHBondContact CG1-CE1 3.29Å; V838-F851 HydrophobicContact CG2-CB 3.79Å; V838-F851 HydrophobicContact CG2-CD1 4.45Å; V838-F851 HydrophobicContact CG2-CG 4.08Å |
| 839 | L | 63.5 | Low | 67.7 | Low | 83 Ų | 83 | 59 Ų | 59 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 175.1 | -82.7 | 95 | 0 | 0 | 0 | 113.2 | W765 V775 G835 V836 | W765-L839 HydrophobicContact CH2-CD2 3.77Å; W765-L839 HydrophobicContact CZ3-CD2 4.16Å; V775-L839 HydrophobicContact CG1-CD2 4.33Å; G835-L839 WeakPolarHBondContact O-CD1 3.33Å; G835-L839 PolarHBondContact O-N 2.94Å; V836-L839 PolarHBondContact O-N 2.98Å |
| 840 | I | 66.6 | Low | 67.6 | Low | 126 Ų | 126 | 61.5 Ų | 61.5 | 65% | 0.646 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -78.3 | -30.4 | -178.9 | -65.6 | 170.7 | 0 | 0 | 0 | 111.6 | V836 | V836-I840 HydrophobicContact CG1-CD1 3.6Å; V836-I840 HydrophobicContact CG1-CG1 4.21Å; V836-I840 VanDerWaalsContact O-CG1 3.31Å; V836-I840 WeakPolarHBondContact O-CG1 3.37Å; V836-I840 PolarHBondContact O-N 2.73Å |
| 841 | S | 61.8 | Low | 67.5 | Low | 53 Ų | 53 | 62.4 Ų | 62.4 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | trans | -132.5 | 68.1 | -177.4 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | G837 V838 K843 N844 | G837-S841 PolarHBondContact O-N 3.23Å; V838-S841 CarbonylContact O-C 3.49Å; S841-K843 PolarHBondContact O-N 2.78Å; S841-K843 VanDerWaalsContact O-N 3.09Å; S841-N844 PolarHBondContact O-N 2.95Å | ||
| 842 | P | 59 | Low | 67.2 | Low | 84 Ų | 84 | 62.6 Ų | 62.6 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.4 | -172.2 | 24.6 | -34.4 | 0 | 0 | 0 | 114 | V838 H848 | V838-P842 VanDerWaalsContact O-CA 3.28Å; V838-P842 WeakPolarHBondContact O-CA 3.3Å; P842-H848 PolarHBondContact O-NE2 2.84Å |
| 843 | K | 52.1 | Low | 67 | Low | 192 Ų | 192 | 65.3 Ų | 65.3 | 84% | 0.835 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -6 | 178.3 | -61.1 | -171.8 | 177.1 | -170.6 | 0 | 114.2 | S841 R845 | S841-K843 PolarHBondContact O-N 2.78Å; S841-K843 VanDerWaalsContact O-N 3.09Å; K843-R845 PolarHBondContact O-N 3.34Å |
| 844 | N | 67.6 | Low | 67 | Low | 80 Ų | 80 | 67.9 Ų | 67.9 | 43% | 0.428 | 36% | 0.36 | S | S | . | . | trans | -84.7 | 101.3 | -176 | -171 | -32 | 0 | 0 | 0 | 111.2 | S841 G846 M847 H848 | S841-N844 PolarHBondContact O-N 2.95Å; N844-G846 PolarHBondContact O-N 3.32Å; N844-G846 PolarHBondContact OD1-N 2.91Å; N844-M847 HydrophobicContact CB-CB 4.23Å; N844-M847 HydrophobicContact CB-CG 3.92Å; N844-M847 WeakPolarHBondContact O-CB 3.45Å; N844-M847 PolarHBondContact O-N 3.45Å; N844-M847 PolarHBondContact OD1-N 3.4Å; N844-H848 PolarHBondContact O-CD2 3.09Å; N844-H848 PolarHBondContact O-N 3.44Å | ||
| 845 | R | 64.7 | Low | 67 | Low | 140 Ų | 140 | 66.2 Ų | 66.2 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -51.6 | -39.3 | 178 | -168.6 | -179.6 | -174.5 | -176.2 | 3.9 | 113.2 | D609 K843 M847 H848 I849 | D609-R845 VanDerWaalsContact CG-NH2 3.34Å; D609-R845 IonicContact OD1-CZ 3.68Å; D609-R845 IonicContact OD1-NH2 2.69Å; D609-R845 PolarHBondContact OD1-NH2 3.18Å; D609-R845 IonicContact OD2-CZ 3.12Å; D609-R845 IonicContact OD2-NE 2.77Å; D609-R845 PolarHBondContact OD2-NE 3.01Å; D609-R845 IonicContact OD2-NH2 2.66Å; D609-R845 PolarHBondContact OD2-NH2 3.37Å; K843-R845 PolarHBondContact O-N 3.34Å; R845-M847 VanDerWaalsContact C-N 3.31Å; R845-M847 PolarHBondContact O-N 3.35Å; R845-H848 PolarHBondContact O-N 3.3Å; R845-I849 HydrophobicContact CG-CD1 3.92Å; R845-I849 WeakPolarHBondContact O-CG1 3.38Å; R845-I849 PolarHBondContact O-N 3.28Å |
| 846 | G | 67 | Low | 67.2 | Low | 35 Ų | 35 | 66.5 Ų | 66.5 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N844 T850 | N844-G846 PolarHBondContact O-N 3.32Å; N844-G846 PolarHBondContact OD1-N 2.91Å; G846-T850 VanDerWaalsContact O-CB 3.3Å; G846-T850 WeakPolarHBondContact O-CB 3.49Å; G846-T850 PolarHBondContact O-N 3.06Å; G846-T850 PolarHBondContact O-OG1 3.29Å |
| 847 | M | 70 | Confident | 67.4 | Low | 59 Ų | 59 | 66 Ų | 66 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 178.4 | -66.5 | -60 | -75.2 | 0 | 0 | 112 | G837 V838 N844 R845 T850 F851 | G837-M847 VanDerWaalsContact CA-CE 3.46Å; V838-M847 HydrophobicContact CG2-CB 4.33Å; N844-M847 HydrophobicContact CB-CB 4.23Å; N844-M847 HydrophobicContact CB-CG 3.92Å; N844-M847 WeakPolarHBondContact O-CB 3.45Å; N844-M847 PolarHBondContact O-N 3.45Å; N844-M847 PolarHBondContact OD1-N 3.4Å; R845-M847 VanDerWaalsContact C-N 3.31Å; R845-M847 PolarHBondContact O-N 3.35Å; M847-T850 PolarHBondContact O-N 3.43Å; M847-F851 VanDerWaalsContact O-CB 3.29Å; M847-F851 WeakPolarHBondContact O-CB 3.4Å; M847-F851 PolarHBondContact O-N 3.1Å |
| 848 | H | 64.7 | Low | 68.2 | Low | 60 Ų | 60 | 65.5 Ų | 65.5 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 174.3 | -75 | -80.5 | 0 | 0 | 0 | 112.2 | L612 V838 P842 N844 R845 T850 F851 A852 | L612-H848 HydrophobicContact CD1-CB 4.37Å; L612-H848 HydrophobicContact CD2-CB 4.2Å; V838-H848 WeakPolarHBondContact CG1-CE1 3.29Å; P842-H848 PolarHBondContact O-NE2 2.84Å; N844-H848 PolarHBondContact O-CD2 3.09Å; N844-H848 PolarHBondContact O-N 3.44Å; R845-H848 PolarHBondContact O-N 3.3Å; H848-T850 PolarHBondContact O-N 2.97Å; H848-F851 PolarHBondContact O-N 2.78Å; H848-A852 WeakPolarHBondContact O-CB 3.2Å; H848-A852 PolarHBondContact O-N 2.91Å |
| 849 | I | 69.6 | Low | 69.1 | Low | 51 Ų | 51 | 64.4 Ų | 64.4 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.4 | -68.9 | 170.2 | 0 | 0 | 0 | 110.8 | I615 R845 A852 L853 | I615-I849 HydrophobicContact CD1-CG2 4.28Å; R845-I849 HydrophobicContact CG-CD1 3.92Å; R845-I849 WeakPolarHBondContact O-CG1 3.38Å; R845-I849 PolarHBondContact O-N 3.28Å; I849-A852 PolarHBondContact O-N 3.44Å; I849-L853 VanDerWaalsContact O-CB 3.3Å; I849-L853 WeakPolarHBondContact O-CB 3.27Å; I849-L853 PolarHBondContact O-N 3.01Å |
| 850 | T | 71.3 | Confident | 70.1 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 179.8 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | L834 G846 M847 H848 L853 F854 | L834-T850 HydrophobicContact CD1-CG2 4.32Å; G846-T850 VanDerWaalsContact O-CB 3.3Å; G846-T850 WeakPolarHBondContact O-CB 3.49Å; G846-T850 PolarHBondContact O-N 3.06Å; G846-T850 PolarHBondContact O-OG1 3.29Å; M847-T850 PolarHBondContact O-N 3.43Å; H848-T850 PolarHBondContact O-N 2.97Å; T850-L853 PolarHBondContact O-N 3.46Å; T850-F854 HydrophobicContact CG2-CD2 3.81Å; T850-F854 HydrophobicContact CG2-CE2 3.88Å; T850-F854 WeakPolarHBondContact O-CD2 3.47Å; T850-F854 PolarHBondContact O-N 3.35Å |
| 851 | F | 72.1 | Confident | 70.8 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 177.5 | -179.9 | -104.7 | 0 | 0 | 0 | 112 | W832 L834 G835 V838 M847 H848 L853 F854 N855 | W832-F851 HydrophobicContact CE3-CE2 4.42Å; W832-F851 HydrophobicContact CE3-CZ 4.14Å; W832-F851 HydrophobicContact CZ3-CZ 4.24Å; L834-F851 HydrophobicContact CB-CD2 4.21Å; G835-F851 VanDerWaalsContact CA-CE2 3.43Å; V838-F851 HydrophobicContact CG2-CB 3.79Å; V838-F851 HydrophobicContact CG2-CD1 4.45Å; V838-F851 HydrophobicContact CG2-CG 4.08Å; M847-F851 VanDerWaalsContact O-CB 3.29Å; M847-F851 WeakPolarHBondContact O-CB 3.4Å; M847-F851 PolarHBondContact O-N 3.1Å; H848-F851 PolarHBondContact O-N 2.78Å; F851-L853 PolarHBondContact O-N 3.21Å; F851-F854 PolarHBondContact O-N 3.35Å; F851-N855 VanDerWaalsContact CD2-ND2 3.29Å; F851-N855 WeakPolarHBondContact CD2-ND2 3.35Å; F851-N855 WeakPolarHBondContact CE2-ND2 3.28Å; F851-N855 WeakPolarHBondContact CZ-ND2 3.43Å; F851-N855 WeakPolarHBondContact O-CB 3.31Å; F851-N855 PolarHBondContact O-N 3.13Å; F851-N855 VanDerWaalsContact O-N 3.08Å; F851-N855 PolarHBondContact O-ND2 2.97Å |
| 852 | A | 70.7 | Confident | 71.9 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 12% | 0.116 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L612 I615 H848 I849 S856 | L612-A852 HydrophobicContact CD1-CB 3.75Å; I615-A852 HydrophobicContact CG2-CB 4.12Å; H848-A852 WeakPolarHBondContact O-CB 3.2Å; H848-A852 PolarHBondContact O-N 2.91Å; I849-A852 PolarHBondContact O-N 3.44Å; A852-S856 WeakPolarHBondContact O-CB 3.46Å; A852-S856 PolarHBondContact O-N 2.97Å; A852-S856 PolarHBondContact O-OG 3.39Å |
| 853 | L | 72.3 | Confident | 73.1 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 177.9 | -173.9 | 71.3 | 0 | 0 | 0 | 112.5 | I849 T850 F851 S856 V857 | I849-L853 VanDerWaalsContact O-CB 3.3Å; I849-L853 WeakPolarHBondContact O-CB 3.27Å; I849-L853 PolarHBondContact O-N 3.01Å; T850-L853 PolarHBondContact O-N 3.46Å; F851-L853 PolarHBondContact O-N 3.21Å; L853-S856 WeakPolarHBondContact CA-OG 3.06Å; L853-S856 PolarHBondContact O-OG 2.94Å; L853-V857 WeakPolarHBondContact O-CG2 3.49Å; L853-V857 PolarHBondContact O-N 3.2Å |
| 854 | F | 73.4 | Confident | 74.5 | Confident | 85 Ų | 85 | 48.2 Ų | 48.2 | 37% | 0.373 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.1 | -33.4 | 180 | -87.3 | -86.9 | 0 | 0 | 0 | 112.9 | T831 L834 T850 F851 V857 | T831-F854 HydrophobicContact CG2-CB 4.48Å; T831-F854 HydrophobicContact CG2-CD1 4Å; L834-F854 HydrophobicContact CD1-CB 4.12Å; L834-F854 HydrophobicContact CD1-CD1 4.49Å; L834-F854 HydrophobicContact CD1-CD2 3.75Å; L834-F854 HydrophobicContact CD1-CE2 4.28Å; L834-F854 HydrophobicContact CD1-CG 3.87Å; T850-F854 HydrophobicContact CG2-CD2 3.81Å; T850-F854 HydrophobicContact CG2-CE2 3.88Å; T850-F854 WeakPolarHBondContact O-CD2 3.47Å; T850-F854 PolarHBondContact O-N 3.35Å; F851-F854 PolarHBondContact O-N 3.35Å; F854-V857 WeakPolarHBondContact O-CG2 3.27Å |
| 855 | N | 72.3 | Confident | 74.9 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.6 | -39.1 | 175.2 | -79.2 | -75.4 | 0 | 0 | 0 | 112 | W832 F851 V857 Q858 | W832-N855 WeakPolarHBondContact CZ2-OD1 3.43Å; W832-N855 PolarHBondContact NE1-OD1 3.07Å; F851-N855 VanDerWaalsContact CD2-ND2 3.29Å; F851-N855 WeakPolarHBondContact CD2-ND2 3.35Å; F851-N855 WeakPolarHBondContact CE2-ND2 3.28Å; F851-N855 WeakPolarHBondContact CZ-ND2 3.43Å; F851-N855 WeakPolarHBondContact O-CB 3.31Å; F851-N855 PolarHBondContact O-N 3.13Å; F851-N855 VanDerWaalsContact O-N 3.08Å; F851-N855 PolarHBondContact O-ND2 2.97Å; N855-V857 VanDerWaalsContact C-N 3.27Å; N855-V857 PolarHBondContact O-N 2.9Å; N855-Q858 WeakPolarHBondContact O-CB 3.23Å; N855-Q858 PolarHBondContact O-N 2.89Å; N855-Q858 VanDerWaalsContact O-N 3.09Å |
| 856 | S | 73.1 | Confident | 75.3 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -30 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 114.3 | A852 L853 | A852-S856 WeakPolarHBondContact O-CB 3.46Å; A852-S856 PolarHBondContact O-N 2.97Å; A852-S856 PolarHBondContact O-OG 3.39Å; L853-S856 WeakPolarHBondContact CA-OG 3.06Å; L853-S856 PolarHBondContact O-OG 2.94Å |
| 857 | V | 75 | Confident | 75.8 | Confident | 45 Ų | 45 | 38.6 Ų | 38.6 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.2 | 176.5 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | L853 F854 N855 G859 F860 F861 | L853-V857 WeakPolarHBondContact O-CG2 3.49Å; L853-V857 PolarHBondContact O-N 3.2Å; F854-V857 WeakPolarHBondContact O-CG2 3.27Å; N855-V857 VanDerWaalsContact C-N 3.27Å; N855-V857 PolarHBondContact O-N 2.9Å; V857-G859 PolarHBondContact O-N 3.01Å; V857-F860 WeakPolarHBondContact O-CB 3.31Å; V857-F860 PolarHBondContact O-N 2.89Å; V857-F861 HydrophobicContact CB-CD2 4.45Å; V857-F861 HydrophobicContact CB-CE2 4.14Å; V857-F861 HydrophobicContact CB-CZ 4.48Å; V857-F861 HydrophobicContact CG2-CD2 3.9Å; V857-F861 HydrophobicContact CG2-CE2 3.35Å; V857-F861 HydrophobicContact CG2-CZ 3.95Å; V857-F861 PolarHBondContact O-N 3.06Å |
| 858 | Q | 81.8 | Confident | 76.3 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | -174.5 | -177 | 174.5 | -26.9 | 0 | 0 | 112.5 | L661 N855 F860 F861 I862 | L661-Q858 HydrophobicContact CD2-CG 4.35Å; N855-Q858 WeakPolarHBondContact O-CB 3.23Å; N855-Q858 PolarHBondContact O-N 2.89Å; N855-Q858 VanDerWaalsContact O-N 3.09Å; Q858-F860 VanDerWaalsContact C-N 3.27Å; Q858-F860 PolarHBondContact O-N 3.14Å; Q858-F861 PolarHBondContact O-N 3.34Å; Q858-I862 HydrophobicContact CG-CD1 4.19Å; Q858-I862 WeakPolarHBondContact O-CG1 3.27Å; Q858-I862 PolarHBondContact O-N 3.02Å |
| 859 | G | 82.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S623 V857 I862 L863 | S623-G859 WeakPolarHBondContact OG-CA 3.18Å; S623-G859 PolarHBondContact OG-N 3.04Å; V857-G859 PolarHBondContact O-N 3.01Å; G859-I862 PolarHBondContact O-N 3.28Å; G859-L863 PolarHBondContact O-N 3.42Å; G859-L863 VanDerWaalsContact O-N 3.09Å |
| 860 | F | 83.8 | Confident | 76.9 | Confident | 94 Ų | 94 | 37.7 Ų | 37.7 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 174.3 | 176.7 | -100.9 | 0 | 0 | 0 | 112.1 | V857 Q858 I862 L863 V864 | V857-F860 WeakPolarHBondContact O-CB 3.31Å; V857-F860 PolarHBondContact O-N 2.89Å; Q858-F860 VanDerWaalsContact C-N 3.27Å; Q858-F860 PolarHBondContact O-N 3.14Å; F860-I862 PolarHBondContact O-N 3.43Å; F860-L863 WeakPolarHBondContact O-CB 3.26Å; F860-L863 PolarHBondContact O-N 2.79Å; F860-V864 HydrophobicContact CD1-CG2 4.37Å; F860-V864 HydrophobicContact CD2-CG2 4.43Å; F860-V864 HydrophobicContact CE1-CG2 3.91Å; F860-V864 HydrophobicContact CE2-CG2 3.97Å; F860-V864 HydrophobicContact CZ-CG2 3.69Å; F860-V864 WeakPolarHBondContact O-CG2 3.47Å; F860-V864 PolarHBondContact O-N 3.01Å |
| 861 | F | 82.1 | Confident | 76.8 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 175.7 | -70.2 | -37.3 | 0 | 0 | 0 | 112.8 | P826 V857 Q858 L863 V864 F865 | P826-F861 HydrophobicContact CB-CB 3.57Å; P826-F861 HydrophobicContact CB-CD2 3.83Å; P826-F861 HydrophobicContact CB-CG 4.02Å; P826-F861 HydrophobicContact CG-CB 3.88Å; P826-F861 HydrophobicContact CG-CD2 3.68Å; P826-F861 HydrophobicContact CG-CE2 4.37Å; P826-F861 HydrophobicContact CG-CG 3.88Å; V857-F861 HydrophobicContact CB-CD2 4.45Å; V857-F861 HydrophobicContact CB-CE2 4.14Å; V857-F861 HydrophobicContact CB-CZ 4.48Å; V857-F861 HydrophobicContact CG2-CD2 3.9Å; V857-F861 HydrophobicContact CG2-CE2 3.35Å; V857-F861 HydrophobicContact CG2-CZ 3.95Å; V857-F861 PolarHBondContact O-N 3.06Å; Q858-F861 PolarHBondContact O-N 3.34Å; F861-L863 VanDerWaalsContact C-N 3.34Å; F861-L863 PolarHBondContact O-N 2.96Å; F861-V864 PolarHBondContact O-N 3.44Å; F861-F865 HydrophobicContact CB-CD2 4.04Å; F861-F865 HydrophobicContact CB-CE2 4.38Å; F861-F865 HydrophobicContact CD1-CD2 4.14Å; F861-F865 AromaticContact CD1-CE2 3.64Å; F861-F865 HydrophobicContact CD1-CE2 3.64Å; F861-F865 HydrophobicContact CE1-CE2 4.28Å; F861-F865 HydrophobicContact CG-CD2 4.43Å; F861-F865 HydrophobicContact CG-CE2 4.28Å; F861-F865 WeakPolarHBondContact O-CB 3.37Å; F861-F865 WeakPolarHBondContact O-CD2 3.33Å; F861-F865 PolarHBondContact O-N 2.97Å |
| 862 | I | 83.9 | Confident | 76.8 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -59.5 | -45.4 | 174 | -67.8 | 165 | 0 | 0 | 0 | 110.6 | L627 I657 L661 L827 Q858 G859 F860 G866 | L627-I862 HydrophobicContact CD2-CB 4.43Å; L627-I862 HydrophobicContact CD2-CD1 4.25Å; L627-I862 HydrophobicContact CD2-CG2 4.29Å; I657-I862 HydrophobicContact CG2-CD1 3.96Å; L661-I862 HydrophobicContact CD2-CD1 3.83Å; L827-I862 HydrophobicContact CD2-CG1 4.41Å; Q858-I862 HydrophobicContact CG-CD1 4.19Å; Q858-I862 WeakPolarHBondContact O-CG1 3.27Å; Q858-I862 PolarHBondContact O-N 3.02Å; G859-I862 PolarHBondContact O-N 3.28Å; F860-I862 PolarHBondContact O-N 3.43Å; I862-G866 WeakPolarHBondContact O-CA 3.42Å; I862-G866 PolarHBondContact O-N 2.98Å |
| 863 | L | 84.4 | Confident | 76.9 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -58.6 | -54.2 | 175.4 | 170.9 | 65.9 | 0 | 0 | 0 | 111.8 | V629 C630 I633 G859 F860 F861 T867 L868 | V629-L863 HydrophobicContact CB-CD1 4.37Å; V629-L863 HydrophobicContact CB-CD2 4.4Å; V629-L863 HydrophobicContact CG1-CD1 3.91Å; V629-L863 HydrophobicContact CG1-CD2 4.21Å; C630-L863 HydrophobicContact CB-CB 4.24Å; C630-L863 HydrophobicContact CB-CD1 3.87Å; I633-L863 HydrophobicContact CD1-CD1 3.89Å; G859-L863 PolarHBondContact O-N 3.42Å; G859-L863 VanDerWaalsContact O-N 3.09Å; F860-L863 WeakPolarHBondContact O-CB 3.26Å; F860-L863 PolarHBondContact O-N 2.79Å; F861-L863 VanDerWaalsContact C-N 3.34Å; F861-L863 PolarHBondContact O-N 2.96Å; L863-T867 PolarHBondContact O-N 3.34Å; L863-T867 PolarHBondContact O-OG1 3.05Å; L863-L868 HydrophobicContact CD1-CD1 4.33Å; L863-L868 HydrophobicContact CD1-CG 4.23Å; L863-L868 HydrophobicContact CD2-CD1 4.48Å; L863-L868 HydrophobicContact CG-CD1 4.04Å; L863-L868 HydrophobicContact CG-CG 4.36Å; L863-L868 PolarHBondContact O-N 3.33Å; L863-L868 VanDerWaalsContact O-N 3.08Å |
| 864 | V | 81.4 | Confident | 77.1 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -64.8 | -51.2 | -173.9 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | F860 F861 L868 L869 | F860-V864 HydrophobicContact CD1-CG2 4.37Å; F860-V864 HydrophobicContact CD2-CG2 4.43Å; F860-V864 HydrophobicContact CE1-CG2 3.91Å; F860-V864 HydrophobicContact CE2-CG2 3.97Å; F860-V864 HydrophobicContact CZ-CG2 3.69Å; F860-V864 WeakPolarHBondContact O-CG2 3.47Å; F860-V864 PolarHBondContact O-N 3.01Å; F861-V864 PolarHBondContact O-N 3.44Å; V864-L868 HydrophobicContact CG2-CD1 4.48Å; V864-L868 PolarHBondContact O-N 3.01Å; V864-L869 HydrophobicContact CG1-CD1 4.01Å; V864-L869 HydrophobicContact CG1-CG 4.29Å; V864-L869 WeakPolarHBondContact O-CB 3.32Å; V864-L869 WeakPolarHBondContact O-CG 3.41Å; V864-L869 PolarHBondContact O-N 3.27Å |
| 865 | F | 76.3 | Confident | 77.1 | Confident | 48 Ų | 48 | 41.8 Ų | 41.8 | 21% | 0.211 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -87.8 | -35.5 | -171.1 | -66.4 | -65.6 | 0 | 0 | 0 | 113.3 | V823 L827 F861 L869 | V823-F865 HydrophobicContact CB-CD1 3.86Å; V823-F865 HydrophobicContact CB-CE1 4.27Å; V823-F865 HydrophobicContact CB-CG 4.44Å; V823-F865 HydrophobicContact CG1-CB 4.11Å; V823-F865 HydrophobicContact CG1-CD1 3.84Å; V823-F865 HydrophobicContact CG1-CG 4.23Å; V823-F865 HydrophobicContact CG2-CD1 3.42Å; V823-F865 VanDerWaalsContact CG2-CD1 3.42Å; V823-F865 HydrophobicContact CG2-CE1 3.49Å; V823-F865 VanDerWaalsContact CG2-CE1 3.49Å; V823-F865 HydrophobicContact CG2-CG 4.43Å; L827-F865 HydrophobicContact CD1-CB 4.18Å; F861-F865 HydrophobicContact CB-CD2 4.04Å; F861-F865 HydrophobicContact CB-CE2 4.38Å; F861-F865 HydrophobicContact CD1-CD2 4.14Å; F861-F865 AromaticContact CD1-CE2 3.64Å; F861-F865 HydrophobicContact CD1-CE2 3.64Å; F861-F865 HydrophobicContact CE1-CE2 4.28Å; F861-F865 HydrophobicContact CG-CD2 4.43Å; F861-F865 HydrophobicContact CG-CE2 4.28Å; F861-F865 WeakPolarHBondContact O-CB 3.37Å; F861-F865 WeakPolarHBondContact O-CD2 3.33Å; F861-F865 PolarHBondContact O-N 2.97Å; F865-L869 HydrophobicContact CD1-CD1 3.35Å; F865-L869 HydrophobicContact CE1-CD1 3.57Å; F865-L869 HydrophobicContact CG-CD1 4.36Å |
| 866 | G | 73.5 | Confident | 77 | Confident | 4 Ų | 4 | 41 Ų | 41 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -74 | -35.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I862 | I862-G866 WeakPolarHBondContact O-CA 3.42Å; I862-G866 PolarHBondContact O-N 2.98Å |
| 867 | T | 78.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -122.7 | -56.5 | -171.6 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | C630 E634 I654 L863 L869 D870 | C630-T867 HydrophobicContact CB-CG2 4.46Å; C630-T867 WeakPolarHBondContact SG-CG2 3.34Å; E634-T867 HydrophobicContact CG-CG2 3.86Å; E634-T867 WeakPolarHBondContact OE1-CG2 3.33Å; I654-T867 HydrophobicContact CG2-CG2 4.43Å; L863-T867 PolarHBondContact O-N 3.34Å; L863-T867 PolarHBondContact O-OG1 3.05Å; T867-L869 VanDerWaalsContact C-N 3.31Å; T867-L869 PolarHBondContact O-N 3.49Å; T867-D870 PolarHBondContact O-N 3.28Å; T867-D870 VanDerWaalsContact O-N 3.11Å |
| 868 | L | 78.9 | Confident | 76.4 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -69.7 | -25.7 | -169.2 | -69.3 | 177.7 | 0 | 0 | 0 | 113.8 | I633 L863 V864 R874 | I633-L868 HydrophobicContact CD1-CD2 3.75Å; L863-L868 HydrophobicContact CD1-CD1 4.33Å; L863-L868 HydrophobicContact CD1-CG 4.23Å; L863-L868 HydrophobicContact CD2-CD1 4.48Å; L863-L868 HydrophobicContact CG-CD1 4.04Å; L863-L868 HydrophobicContact CG-CG 4.36Å; L863-L868 PolarHBondContact O-N 3.33Å; L863-L868 VanDerWaalsContact O-N 3.08Å; V864-L868 HydrophobicContact CG2-CD1 4.48Å; V864-L868 PolarHBondContact O-N 3.01Å; L868-R874 PolarHBondContact O-NE 3.1Å; L868-R874 PolarHBondContact O-NH2 3Å |
| 869 | L | 71.9 | Confident | 75.1 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -7.3 | 176.1 | -69.2 | 176.1 | 0 | 0 | 0 | 113.3 | V864 F865 T867 K871 | V864-L869 HydrophobicContact CG1-CD1 4.01Å; V864-L869 HydrophobicContact CG1-CG 4.29Å; V864-L869 WeakPolarHBondContact O-CB 3.32Å; V864-L869 WeakPolarHBondContact O-CG 3.41Å; V864-L869 PolarHBondContact O-N 3.27Å; F865-L869 HydrophobicContact CD1-CD1 3.35Å; F865-L869 HydrophobicContact CE1-CD1 3.57Å; F865-L869 HydrophobicContact CG-CD1 4.36Å; T867-L869 VanDerWaalsContact C-N 3.31Å; T867-L869 PolarHBondContact O-N 3.49Å; L869-K871 PolarHBondContact O-N 3.04Å |
| 870 | D | 75.1 | Confident | 73.6 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -73.9 | 125.6 | 178.2 | -173.4 | -78.6 | 0 | 0 | 0 | 111.1 | R650 H651 T867 T872 V873 R874 | R650-D870 IonicContact CZ-OD2 2.68Å; R650-D870 IonicContact NH2-OD2 3.98Å; R650-D870 PolarHBondContact NH2-OD2 3.25Å; H651-D870 IonicContact NE2-OD1 3.67Å; H651-D870 IonicContact NE2-OD2 3.86Å; T867-D870 PolarHBondContact O-N 3.28Å; T867-D870 VanDerWaalsContact O-N 3.11Å; D870-T872 VanDerWaalsContact C-N 3.26Å; D870-T872 PolarHBondContact O-N 2.89Å; D870-T872 VanDerWaalsContact OD1-CA 3.27Å; D870-T872 WeakPolarHBondContact OD1-CA 3.36Å; D870-T872 WeakPolarHBondContact OD1-CB 3.42Å; D870-T872 PolarHBondContact OD1-N 2.82Å; D870-T872 PolarHBondContact OD1-OG1 3.49Å; D870-V873 HydrophobicContact CB-CB 4.2Å; D870-V873 HydrophobicContact CB-CG2 3.96Å; D870-V873 PolarHBondContact O-N 2.94Å; D870-V873 PolarHBondContact OD1-N 3.19Å; D870-V873 VanDerWaalsContact OD1-N 3.17Å; D870-R874 WeakPolarHBondContact O-CB 3.38Å; D870-R874 WeakPolarHBondContact O-CG 3.24Å; D870-R874 PolarHBondContact O-N 3.1Å | ||
| 871 | K | 70.2 | Confident | 71.8 | Confident | 184 Ų | 184 | 60.9 Ų | 60.9 | 80% | 0.8 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.8 | -31.5 | -177.1 | -65.3 | -178.4 | -179.5 | 179.2 | 0 | 112.6 | L869 S875 | L869-K871 PolarHBondContact O-N 3.04Å; K871-S875 VanDerWaalsContact O-CB 3.27Å; K871-S875 WeakPolarHBondContact O-CB 3.4Å; K871-S875 PolarHBondContact O-N 3.49Å |
| 872 | T | 70.4 | Confident | 69.9 | Low | 30 Ų | 30 | 60.9 Ų | 60.9 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.2 | -45.8 | 180 | -38.6 | 0 | 0 | 0 | 0 | 110.3 | I641 D870 S875 A876 | I641-T872 HydrophobicContact CG1-CG2 4.48Å; D870-T872 VanDerWaalsContact C-N 3.26Å; D870-T872 PolarHBondContact O-N 2.89Å; D870-T872 VanDerWaalsContact OD1-CA 3.27Å; D870-T872 WeakPolarHBondContact OD1-CA 3.36Å; D870-T872 WeakPolarHBondContact OD1-CB 3.42Å; D870-T872 PolarHBondContact OD1-N 2.82Å; D870-T872 PolarHBondContact OD1-OG1 3.49Å; T872-S875 PolarHBondContact O-N 3.17Å; T872-A876 PolarHBondContact O-N 3.2Å |
| 873 | V | 73.9 | Confident | 67.7 | Low | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | I633 A637 I641 D870 S875 A876 M877 | I633-V873 HydrophobicContact CG2-CG1 3.45Å; I633-V873 VanDerWaalsContact CG2-CG1 3.45Å; A637-V873 HydrophobicContact CB-CG1 4.33Å; A637-V873 HydrophobicContact CB-CG2 4.32Å; I641-V873 HydrophobicContact CD1-CG2 4.26Å; D870-V873 HydrophobicContact CB-CB 4.2Å; D870-V873 HydrophobicContact CB-CG2 3.96Å; D870-V873 PolarHBondContact O-N 2.94Å; D870-V873 PolarHBondContact OD1-N 3.19Å; D870-V873 VanDerWaalsContact OD1-N 3.17Å; V873-S875 VanDerWaalsContact C-N 3.29Å; V873-S875 PolarHBondContact O-N 3.07Å; V873-A876 WeakPolarHBondContact O-CA 3.47Å; V873-A876 WeakPolarHBondContact O-CB 3.37Å; V873-A876 PolarHBondContact O-N 3.42Å; V873-M877 HydrophobicContact CG1-CG 4.39Å; V873-M877 WeakPolarHBondContact O-CG 3.35Å; V873-M877 PolarHBondContact O-N 3.04Å |
| 874 | R | 75.8 | Confident | 65.5 | Low | 110 Ų | 110 | 75.6 Ų | 75.6 | 42% | 0.415 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -53.8 | -45.4 | 175.1 | -75.7 | 179.2 | 169.5 | -161.2 | -8.1 | 112.7 | L868 D870 A876 M877 T878 | L868-R874 PolarHBondContact O-NE 3.1Å; L868-R874 PolarHBondContact O-NH2 3Å; D870-R874 WeakPolarHBondContact O-CB 3.38Å; D870-R874 WeakPolarHBondContact O-CG 3.24Å; D870-R874 PolarHBondContact O-N 3.1Å; R874-A876 VanDerWaalsContact C-N 3.3Å; R874-A876 PolarHBondContact O-N 2.91Å; R874-M877 PolarHBondContact O-N 3.44Å; R874-T878 PolarHBondContact O-N 3.39Å; R874-T878 PolarHBondContact O-OG1 3.39Å; R874-T878 VanDerWaalsContact O-OG1 3.14Å |
| 875 | S | 73.1 | Confident | 63.3 | Low | 55 Ų | 55 | 79.3 Ų | 79.3 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.5 | -27.1 | 178.1 | -178 | 0 | 0 | 0 | 0 | 113.1 | K640 K871 T872 V873 T878 | K640-S875 PolarHBondContact NZ-O 3.04Å; K640-S875 PolarHBondContact NZ-OG 3.49Å; K871-S875 VanDerWaalsContact O-CB 3.27Å; K871-S875 WeakPolarHBondContact O-CB 3.4Å; K871-S875 PolarHBondContact O-N 3.49Å; T872-S875 PolarHBondContact O-N 3.17Å; V873-S875 VanDerWaalsContact C-N 3.29Å; V873-S875 PolarHBondContact O-N 3.07Å; S875-T878 PolarHBondContact O-OG1 3.36Å |
| 876 | A | 71.6 | Confident | 61.4 | Low | 13 Ų | 13 | 86.6 Ų | 86.6 | 11% | 0.107 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -71.3 | -45.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A637 K640 T872 V873 R874 K879 S880 | A637-A876 HydrophobicContact CB-CB 4.06Å; K640-A876 HydrophobicContact CB-CB 4.45Å; K640-A876 HydrophobicContact CD-CB 3.79Å; T872-A876 PolarHBondContact O-N 3.2Å; V873-A876 WeakPolarHBondContact O-CA 3.47Å; V873-A876 WeakPolarHBondContact O-CB 3.37Å; V873-A876 PolarHBondContact O-N 3.42Å; R874-A876 VanDerWaalsContact C-N 3.3Å; R874-A876 PolarHBondContact O-N 2.91Å; A876-K879 PolarHBondContact O-N 3.12Å; A876-S880 PolarHBondContact O-N 3.26Å; A876-S880 VanDerWaalsContact O-N 3.12Å |
| 877 | M | 68.7 | Low | 59.3 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | -178.5 | -66.6 | -68.2 | -79.2 | 0 | 0 | 112.4 | I636 V873 R874 K879 S880 Q881 | I636-M877 HydrophobicContact CG2-SD 4.1Å; V873-M877 HydrophobicContact CG1-CG 4.39Å; V873-M877 WeakPolarHBondContact O-CG 3.35Å; V873-M877 PolarHBondContact O-N 3.04Å; R874-M877 PolarHBondContact O-N 3.44Å; M877-K879 VanDerWaalsContact C-N 3.27Å; M877-K879 PolarHBondContact O-N 3.26Å; M877-S880 PolarHBondContact O-N 3.48Å; M877-Q881 PolarHBondContact O-N 3.45Å |
| 878 | T | 65.4 | Low | 57.1 | Low | 101 Ų | 101 | 103.8 Ų | 103.8 | 62% | 0.62 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.7 | -25.1 | 180 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | R874 S875 | R874-T878 PolarHBondContact O-N 3.39Å; R874-T878 PolarHBondContact O-OG1 3.39Å; R874-T878 VanDerWaalsContact O-OG1 3.14Å; S875-T878 PolarHBondContact O-OG1 3.36Å |
| 879 | K | 54.6 | Low | 54.8 | Low | 161 Ų | 161 | 107 Ų | 107 | 70% | 0.7 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -91.3 | -28.3 | 178.8 | -112.6 | -179.2 | 178.6 | -177.1 | 0 | 112.7 | A876 M877 Q881 G882 | A876-K879 PolarHBondContact O-N 3.12Å; M877-K879 VanDerWaalsContact C-N 3.27Å; M877-K879 PolarHBondContact O-N 3.26Å; K879-Q881 PolarHBondContact O-N 3.37Å; K879-G882 PolarHBondContact O-N 3.34Å |
| 880 | S | 51 | Low | 52.8 | Low | 77 Ų | 77 | 113.5 Ų | 113.5 | 54% | 0.538 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.9 | -30.1 | 171.8 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | A876 M877 G882 | A876-S880 PolarHBondContact O-N 3.26Å; A876-S880 VanDerWaalsContact O-N 3.12Å; M877-S880 PolarHBondContact O-N 3.48Å; S880-G882 VanDerWaalsContact C-N 3.26Å; S880-G882 PolarHBondContact O-N 3.31Å |
| 881 | Q | 47.2 | Very low | 50.5 | Low | 163 Ų | 163 | 117.2 Ų | 117.2 | 76% | 0.762 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -10.3 | 172.8 | -112.1 | 165.7 | -8.3 | 0 | 0 | 114.1 | M877 K879 | M877-Q881 PolarHBondContact O-N 3.45Å; K879-Q881 PolarHBondContact O-N 3.37Å |
| 882 | G | 41.9 | Very low | 48.7 | Very low | 56 Ų | 56 | 114.4 Ų | 114.4 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 3.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | K879 S880 | K879-G882 PolarHBondContact O-N 3.34Å; S880-G882 VanDerWaalsContact C-N 3.26Å; S880-G882 PolarHBondContact O-N 3.31Å |
| 883 | Y | 38.5 | Very low | 46.9 | Very low | 225 Ų | 225 | 125 Ų | 125 | 88% | 0.882 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -119.1 | 44.1 | 179.1 | -96.2 | -87.7 | 0 | 0 | 0 | 111.6 | ||
| 884 | S | 37 | Very low | 44.8 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -151.2 | 64.3 | 164 | 72.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 885 | S | 35 | Very low | 42.9 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | -159.7 | 77.6 | 163.2 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 886 | Q | 37.1 | Very low | 40.8 | Very low | 200 Ų | 200 | 131.3 Ų | 131.3 | 94% | 0.935 | 73% | 0.731 | S | S | * | * | trans | -153.1 | 73.6 | 150.3 | -139.9 | 172.1 | 13.6 | 0 | 0 | 111.7 | ||||
| 887 | S | 29.5 | Very low | 38.8 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -164.6 | 126.3 | 134.8 | 65.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 888 | R | 32.8 | Very low | 37 | Very low | 242 Ų | 242 | 140.9 Ų | 140.9 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -123.6 | 112.3 | 173.7 | -167.1 | -174.9 | -165.6 | -172.7 | 4.6 | 106.1 | ||||
| 889 | T | 29.6 | Very low | 35.7 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -168.8 | 123 | 138.2 | 19.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 890 | K | 30.7 | Very low | 34.9 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | 57.6 | 127.8 | 147.2 | -66.1 | 178.3 | 177 | 179.3 | 0 | 117.4 | ||||
| 891 | S | 27.4 | Very low | 34.3 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -168.8 | 164 | 27.3 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 892 | T | 30.7 | Very low | 33.8 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | 73.5 | 105.5 | 153 | 18.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 893 | R | 33.8 | Very low | 33.4 | Very low | 253 Ų | 253 | 134.8 Ų | 134.8 | 96% | 0.955 | 78% | 0.776 | S | S | * | * | trans | 36.5 | 122.1 | 132.1 | -98.2 | 179.3 | 173.4 | 176.9 | -2.4 | 120.9 | ||||
| 894 | G | 29.3 | Very low | 33.5 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | 166.9 | 103.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 895 | G | 36.6 | Very low | 33.6 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -83.9 | 147.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 896 | T | 28.2 | Very low | 33.8 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | trans | -156.3 | 151.7 | 151.5 | -31.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 897 | L | 30.1 | Very low | 33.9 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | trans | -47.7 | 156.8 | -172.6 | -89.6 | 68.3 | 0 | 0 | 0 | 119.2 | ||||
| 898 | S | 30.6 | Very low | 34.3 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | 107.8 | 88 | 142.8 | -163.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 899 | S | 38.9 | Very low | 34.5 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | trans | -118.2 | 60.8 | 162 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 900 | G | 37.2 | Very low | 34.6 | Very low | 51 Ų | 51 | 129.9 Ų | 129.9 | 53% | 0.526 | 72% | 0.721 | S | S | . | * | trans | -83.8 | -31.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 901 | V | 38.2 | Very low | 35.1 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -81 | -31 | -168.8 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | N903 F904 F905 | V901-N903 PolarHBondContact O-N 3.06Å; V901-F904 PolarHBondContact O-N 3.29Å; V901-F905 HydrophobicContact CG1-CD2 4.35Å; V901-F905 HydrophobicContact CG1-CE2 4.08Å; V901-F905 WeakPolarHBondContact O-CD2 3.36Å |
| 902 | S | 36.1 | Very low | 35.4 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 49% | 0.49 | 74% | 0.74 | S | S | . | * | H | α-helix | trans | -72.9 | -29 | -179.5 | 75.3 | 0 | 0 | 0 | 0 | 113.1 | N906 | S902-N906 PolarHBondContact O-N 2.98Å |
| 903 | N | 35 | Very low | 35.7 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 57% | 0.572 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -74.9 | -24.6 | 178.1 | -85 | -18.8 | 0 | 0 | 0 | 113.3 | V901 | V901-N903 PolarHBondContact O-N 3.06Å |
| 904 | F | 39.3 | Very low | 35.8 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -69.5 | -43.8 | 175.3 | -172.2 | -101.2 | 0 | 0 | 0 | 111.8 | V901 N906 K907 L908 | V901-F904 PolarHBondContact O-N 3.29Å; F904-N906 VanDerWaalsContact C-N 3.34Å; F904-N906 PolarHBondContact O-N 3.18Å; F904-K907 PolarHBondContact O-N 3.01Å; F904-L908 HydrophobicContact CD1-CD1 4.45Å; F904-L908 HydrophobicContact CE1-CD1 4.02Å |
| 905 | F | 39.9 | Very low | 36.1 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 41% | 0.408 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -70.9 | -26.3 | 179.5 | -75.8 | -75.4 | 0 | 0 | 0 | 113.8 | V901 | V901-F905 HydrophobicContact CG1-CD2 4.35Å; V901-F905 HydrophobicContact CG1-CE2 4.08Å; V901-F905 WeakPolarHBondContact O-CD2 3.36Å |
| 906 | N | 38.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76 | -23.1 | 176.2 | -78.4 | -20.3 | 0 | 0 | 0 | 113.5 | S902 F904 | S902-N906 PolarHBondContact O-N 2.98Å; F904-N906 VanDerWaalsContact C-N 3.34Å; F904-N906 PolarHBondContact O-N 3.18Å |
| 907 | K | 40.5 | Very low | 36.6 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -76.5 | -21.7 | 175.5 | -93.7 | -175.5 | 175 | -179.4 | 0 | 114 | F904 K909 | F904-K907 PolarHBondContact O-N 3.01Å; K907-K909 PolarHBondContact O-N 3.46Å |
| 908 | L | 37.1 | Very low | 37 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 7.5 | 177.6 | -87.8 | 153.3 | 0 | 0 | 0 | 114.3 | F904 | F904-L908 HydrophobicContact CD1-CD1 4.45Å; F904-L908 HydrophobicContact CE1-CD1 4.02Å |
| 909 | K | 36.7 | Very low | 37.5 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 6.7 | -169.9 | -137.1 | -178.4 | -176.1 | -176.4 | 0 | 115.6 | K907 | K907-K909 PolarHBondContact O-N 3.46Š|
| 910 | K | 31.1 | Very low | 37.4 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 69% | 0.691 | S | S | * | * | trans | -101.9 | 124.7 | 173.3 | -89.5 | -174.6 | 175.5 | -179.3 | 0 | 111.1 | ||||
| 911 | P | 42.3 | Very low | 37.4 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -77.2 | 133.5 | 163.9 | 32 | -28.1 | 0 | 0 | 0 | 109.1 | ||||
| 912 | R | 34.1 | Very low | 37.3 | Very low | 321 Ų | 321 | 150.2 Ų | 150.2 | 100% | 1.211 | 71% | 0.709 | S | S | * | * | trans | -134 | 0 | 146.2 | -106.7 | -169.6 | -178 | 174.4 | 0.2 | 107.3 |
Retrieved 912 of 912 residues in 877.1 ms
(Link to these results)