| 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 | 59.9 | Low | 86.8 | Confident | 142 Ų | 142 | 35.5 Ų | 35.5 | 70% | 0.7 | 16% | 0.163 | S | C | * | . | 0 | 166.1 | 0 | -156 | 169.4 | -82.8 | 0 | 0 | 106.9 | D56 F127 P128 | M1-D56 HydrophobicContact SD-CB 4.44Å; M1-F127 CarbonylContact O-C 3.49Å; M1-P128 WeakPolarHBondContact O-CD 3.28Å | |||
| 2 | Y | 77.3 | Confident | 86.9 | Confident | 72 Ų | 72 | 35.3 Ų | 35.3 | 28% | 0.282 | 17% | 0.165 | S | C | . | . | trans | -97.2 | 119.4 | 165.9 | -75.4 | -73.8 | 0 | 0 | 0 | 107.2 | L57 G59 P61 Y125 E126 F127 P128 | Y2-L57 WeakPolarHBondContact O-CB 3.19Å; Y2-L57 PolarHBondContact O-N 3.47Å; Y2-G59 WeakPolarHBondContact CD2-O 3.45Å; Y2-P61 HydrophobicContact CD1-CB 4.42Å; Y2-P61 HydrophobicContact CE1-CB 4.11Å; Y2-Y125 AromaticContact CD1-CE2 3.98Å; Y2-Y125 HydrophobicContact CD1-CE2 3.98Å; Y2-Y125 AromaticContact CD1-CZ 3.75Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.47Å; Y2-Y125 WeakPolarHBondContact CE1-OH 3.42Å; Y2-E126 WeakPolarHBondContact CA-O 3.43Å; Y2-F127 HydrophobicContact CD1-CB 4.43Å; Y2-F127 HydrophobicContact CE1-CB 4.14Å; Y2-P128 VanDerWaalsContact CD1-CD 3.43Å; Y2-P128 HydrophobicContact CD1-CG 4.26Å; Y2-P128 HydrophobicContact CD2-CG 3.84Å; Y2-P128 HydrophobicContact CE1-CG 4.18Å; Y2-P128 HydrophobicContact CE2-CG 3.74Å; Y2-P128 HydrophobicContact CG-CG 4.1Å | ||
| 3 | A | 84.7 | Confident | 87 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I54 I55 Y125 E126 | A3-I54 HydrophobicContact CB-CG2 4.11Å; A3-I55 WeakPolarHBondContact CA-O 3.09Å; A3-Y125 WeakPolarHBondContact O-CD2 3.36Å; A3-E126 HydrophobicContact CB-CB 4.35Å; A3-E126 PolarHBondContact N-O 2.95Å; A3-E126 VanDerWaalsContact N-O 3.12Å; A3-E126 PolarHBondContact O-N 3.11Å |
| 4 | L | 88.4 | Confident | 87 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.1 | 170.4 | 175.6 | 63.8 | 0 | 0 | 0 | 108.8 | V6 F31 I55 L57 L62 L91 | L4-V6 HydrophobicContact CD2-CG2 4.2Å; L4-V6 HydrophobicContact CG-CG2 3.97Å; L4-F31 HydrophobicContact CD2-CD2 4.36Å; L4-I55 HydrophobicContact CB-CB 4.4Å; L4-I55 PolarHBondContact N-O 2.92Å; L4-I55 PolarHBondContact O-N 3.39Å; L4-L57 HydrophobicContact CB-CD2 4.22Å; L4-L62 HydrophobicContact CD1-CD1 4.28Å; L4-L91 HydrophobicContact CD2-CD1 3.69Å; L4-L91 HydrophobicContact CD2-CD2 4.27Å |
| 5 | H | 89.8 | Confident | 86.6 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.9 | 173.9 | -64.5 | -120 | 0 | 0 | 0 | 108.6 | E52 L123 R124 | H5-E52 IonicContact CE1-OE1 2.65Å; H5-E52 IonicContact CG-OE1 3.41Å; H5-E52 IonicContact ND1-OE1 2.87Å; H5-E52 PolarHBondContact ND1-OE1 2.85Å; H5-L123 WeakPolarHBondContact O-CA 3.39Å; H5-R124 HydrophobicContact CB-CB 4.16Å; H5-R124 WeakPolarHBondContact CB-O 3.44Å; H5-R124 PolarHBondContact N-O 3.2Å; H5-R124 PolarHBondContact O-N 3.42Å |
| 6 | V | 92.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 95.5 | 179 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | L4 V8 V29 I53 I55 I70 L123 | L4-V6 HydrophobicContact CD2-CG2 4.2Å; L4-V6 HydrophobicContact CG-CG2 3.97Å; V6-V8 HydrophobicContact CG1-CG2 4.19Å; V6-V8 PolarHBondContact O-N 3.14Å; V6-V29 HydrophobicContact CB-CG1 4.35Å; V6-V29 HydrophobicContact CG1-CG1 4.1Å; V6-V29 HydrophobicContact CG1-CG2 4.11Å; V6-V29 HydrophobicContact CG2-CG1 4.13Å; V6-I53 HydrophobicContact CB-CB 4.4Å; V6-I53 PolarHBondContact N-O 3.3Å; V6-I53 PolarHBondContact O-N 2.91Å; V6-I55 HydrophobicContact CG2-CD1 4.14Å; V6-I70 HydrophobicContact CG1-CD1 4.46Å; V6-L123 HydrophobicContact CB-CD2 4.04Å; V6-L123 HydrophobicContact CG1-CD2 3.77Å; V6-L123 HydrophobicContact CG2-CD2 3.77Å |
| 7 | N | 92.6 | Very high | 86.1 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110 | 171.1 | 177 | -40.5 | 0 | 0 | 0 | 109 | K9 D50 E51 L121 S122 | N7-K9 PolarHBondContact O-N 3.34Å; N7-K9 WeakPolarHBondContact OD1-CG 3.49Å; N7-D50 PolarHBondContact ND2-OD1 3.19Å; N7-D50 VanDerWaalsContact ND2-OD1 3.12Å; N7-D50 PolarHBondContact OD1-OD1 3.06Å; N7-E51 WeakPolarHBondContact CA-O 3.22Å; N7-L121 CarbonylContact O-C 3.58Å; N7-L121 WeakPolarHBondContact O-CA 3.41Å; N7-L121 WeakPolarHBondContact O-CB 3.46Å; N7-S122 PolarHBondContact N-O 2.84Å; N7-S122 PolarHBondContact O-N 3.41Å |
| 8 | V | 93.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 107.4 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | V6 V27 V29 T38 W49 D50 E51 I53 I119 | V6-V8 HydrophobicContact CG1-CG2 4.19Å; V6-V8 PolarHBondContact O-N 3.14Å; V8-V27 HydrophobicContact CG1-CB 4.02Å; V8-V27 HydrophobicContact CG1-CG1 4.12Å; V8-V27 HydrophobicContact CG1-CG2 3.77Å; V8-V27 HydrophobicContact CG2-CG1 4.39Å; V8-V29 HydrophobicContact CG2-CG2 3.94Å; V8-T38 HydrophobicContact CB-CG2 3.95Å; V8-T38 HydrophobicContact CG1-CG2 4.16Å; V8-T38 HydrophobicContact CG2-CG2 4.16Å; V8-W49 HydrophobicContact CG1-CD2 4.41Å; V8-W49 HydrophobicContact CG1-CE3 3.82Å; V8-W49 HydrophobicContact CG1-CZ3 4.37Å; V8-D50 VanDerWaalsContact O-CA 3.31Å; V8-D50 WeakPolarHBondContact O-CA 3.46Å; V8-D50 PolarHBondContact O-N 3.23Å; V8-E51 PolarHBondContact N-O 3.05Å; V8-E51 PolarHBondContact O-N 3.3Å; V8-E51 VanDerWaalsContact O-N 3.1Å; V8-I53 HydrophobicContact CG2-CD1 4.5Å; V8-I119 HydrophobicContact CG1-CD1 4.32Å |
| 9 | K | 90.8 | Very high | 84.6 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 29% | 0.291 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -66.3 | -171.6 | -66.3 | -177 | 175.9 | 173.8 | 0 | 112 | N7 V48 W49 D50 E100 E120 S122 | N7-K9 PolarHBondContact O-N 3.34Å; N7-K9 WeakPolarHBondContact OD1-CG 3.49Å; K9-V48 CarbonylContact O-C 3.56Å; K9-W49 PolarHBondContact O-N 3.3Å; K9-D50 PolarHBondContact O-N 3.47Å; K9-E100 IonicContact NZ-OE2 2.83Å; K9-E120 WeakPolarHBondContact CA-O 3.38Å; K9-E120 HydrophobicContact CB-CB 4.48Å; K9-E120 WeakPolarHBondContact CB-O 3.36Å; K9-E120 PolarHBondContact N-O 3.32Å; K9-S122 WeakPolarHBondContact CE-OG 3.39Å; K9-S122 PolarHBondContact NZ-OG 3.13Å |
| 10 | K | 92.6 | Very high | 83.7 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 26% | 0.261 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 162.4 | -177.2 | 61.8 | 178.3 | 172.1 | 103.7 | 0 | 113 | N12 P47 V48 E120 | K10-N12 PolarHBondContact NZ-OD1 3.18Å; K10-P47 CarbonylContact C-O 3.57Å; K10-P47 WeakPolarHBondContact CA-O 3.37Å; K10-P47 WeakPolarHBondContact CB-O 3.41Å; K10-V48 HydrophobicContact CB-CB 4.26Å; K10-V48 HydrophobicContact CB-CG1 4.36Å; K10-V48 HydrophobicContact CB-CG2 3.92Å; K10-V48 HydrophobicContact CD-CG2 4.32Å; K10-E120 VanDerWaalsContact CE-CD 3.42Å; K10-E120 VanDerWaalsContact CE-OE1 3.25Å; K10-E120 WeakPolarHBondContact CE-OE1 3.2Å; K10-E120 WeakPolarHBondContact CE-OE2 3.48Å; K10-E120 HydrophobicContact CG-CB 4.08Å; K10-E120 PolarHBondContact N-O 3.2Å; K10-E120 VanDerWaalsContact N-O 3.15Å; K10-E120 IonicContact NZ-OE1 3.95Å; K10-E120 PolarHBondContact NZ-OE1 2.87Å; K10-E120 IonicContact NZ-OE2 3.79Å; K10-E120 PolarHBondContact NZ-OE2 2.78Å; K10-E120 PolarHBondContact O-N 3.44Å |
| 11 | A | 92.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 152.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L14 N46 P47 W49 T118 I119 | A11-L14 HydrophobicContact CB-CD1 3.99Å; A11-L14 HydrophobicContact CB-CD2 3.99Å; A11-L14 HydrophobicContact CB-CG 3.94Å; A11-N46 CarbonylContact O-C 3.54Å; A11-N46 WeakPolarHBondContact O-CA 3.38Å; A11-P47 HydrophobicContact CB-CG 4.12Å; A11-P47 PolarHBondContact N-O 2.82Å; A11-W49 HydrophobicContact CB-CH2 3.91Å; A11-W49 HydrophobicContact CB-CZ3 3.74Å; A11-T118 CarbonylContact C-O 3.52Å; A11-T118 WeakPolarHBondContact CA-O 3.49Å; A11-T118 WeakPolarHBondContact CB-O 3.26Å; A11-I119 HydrophobicContact CB-CB 4.48Å; A11-I119 HydrophobicContact CB-CG1 4.5Å |
| 12 | N | 87.7 | Confident | 84.3 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.1 | 176.4 | -40 | -84.7 | 0 | 0 | 0 | 109.6 | K10 L14 N46 S117 T118 E120 | K10-N12 PolarHBondContact NZ-OD1 3.18Å; N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 3.17Å; N12-N46 WeakPolarHBondContact CA-OD1 3.26Å; N12-S117 WeakPolarHBondContact O-CA 3.34Å; N12-T118 PolarHBondContact N-O 3.44Å; N12-T118 PolarHBondContact ND2-OG1 2.98Å; N12-T118 VanDerWaalsContact ND2-OG1 3.07Å; N12-T118 PolarHBondContact O-N 3Å; N12-E120 PolarHBondContact ND2-OE1 2.87Å; N12-E120 VanDerWaalsContact ND2-OE1 3.16Å |
| 13 | N | 88 | Confident | 84.8 | Confident | 101 Ų | 101 | 50 Ų | 50 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 52.4 | 41.4 | 178.2 | -69.3 | -21.5 | 0 | 0 | 0 | 114.6 | K15 N46 M116 S117 | N13-K15 PolarHBondContact O-N 3.46Å; N13-N46 PolarHBondContact N-OD1 3.46Å; N13-M116 WeakPolarHBondContact CB-O 3.2Å; N13-S117 WeakPolarHBondContact O-CB 3.3Å; N13-S117 PolarHBondContact O-OG 2.91Å |
| 14 | L | 87.9 | Confident | 85.1 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 137.9 | 171.2 | -67.1 | 177.1 | 0 | 0 | 0 | 110.4 | A11 N12 N16 P25 L45 P47 V72 M84 L107 | A11-L14 HydrophobicContact CB-CD1 3.99Å; A11-L14 HydrophobicContact CB-CD2 3.99Å; A11-L14 HydrophobicContact CB-CG 3.94Å; N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 3.17Å; L14-N16 PolarHBondContact O-N 2.95Å; L14-P25 HydrophobicContact CD1-CB 3.66Å; L14-P25 HydrophobicContact CD1-CG 3.76Å; L14-L45 WeakPolarHBondContact CB-O 3.41Å; L14-L45 PolarHBondContact N-O 3.02Å; L14-P47 HydrophobicContact CD1-CG 3.61Å; L14-V72 HydrophobicContact CD1-CG1 3.95Å; L14-V72 HydrophobicContact CD2-CB 4.45Å; L14-V72 HydrophobicContact CD2-CG1 3.87Å; L14-M84 HydrophobicContact CB-CE 3.91Å; L14-M84 HydrophobicContact CD1-CE 4.37Å; L14-M84 HydrophobicContact CD1-SD 4.37Å; L14-L107 HydrophobicContact CD2-CD1 3.79Å |
| 15 | K | 80.4 | Confident | 85.3 | Confident | 147 Ų | 147 | 51.2 Ų | 51.2 | 64% | 0.639 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 122.7 | 175.4 | 179.8 | -176.6 | 176.9 | -177.3 | 0 | 109.4 | N13 I17 M84 | N13-K15 PolarHBondContact O-N 3.46Å; K15-I17 HydrophobicContact CD-CG2 3.97Å; K15-I17 HydrophobicContact CG-CG2 3.99Å; K15-I17 PolarHBondContact O-N 3.06Å; K15-M84 WeakPolarHBondContact O-CE 3.43Å |
| 16 | N | 82.6 | Confident | 85.6 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 33% | 0.326 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -64 | 124.4 | 167.1 | -164.1 | 10.6 | 0 | 0 | 0 | 109.5 | L14 E18 G21 K22 S23 L45 | L14-N16 PolarHBondContact O-N 2.95Å; N16-E18 PolarHBondContact OD1-N 3.14Å; N16-G21 PolarHBondContact ND2-O 2.98Å; N16-K22 WeakPolarHBondContact OD1-CA 3.42Å; N16-S23 PolarHBondContact OD1-N 3.15Å; N16-S23 PolarHBondContact OD1-OG 3.3Å; N16-L45 HydrophobicContact CB-CD1 3.85Å; N16-L45 HydrophobicContact CB-CD2 3.95Å |
| 17 | I | 81.6 | Confident | 85.8 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | trans | -118.8 | 1.3 | 175.3 | 61.3 | -178.1 | 0 | 0 | 0 | 113 | K15 S23 D74 K82 M84 | K15-I17 HydrophobicContact CD-CG2 3.97Å; K15-I17 HydrophobicContact CG-CG2 3.99Å; K15-I17 PolarHBondContact O-N 3.06Å; I17-S23 PolarHBondContact N-OG 3.49Å; I17-S23 VanDerWaalsContact N-OG 3.13Å; I17-D74 HydrophobicContact CD1-CB 3.88Å; I17-D74 HydrophobicContact CG1-CB 4.15Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.34Å; I17-K82 HydrophobicContact CD1-CB 3.46Å; I17-K82 VanDerWaalsContact CD1-CB 3.46Å; I17-K82 HydrophobicContact CD1-CD 4.24Å; I17-K82 HydrophobicContact CD1-CG 4.5Å; I17-K82 HydrophobicContact CG1-CB 4.4Å; I17-K82 HydrophobicContact CG1-CD 4.38Å; I17-M84 HydrophobicContact CD1-CG 3.88Å | ||
| 18 | E | 73.5 | Confident | 85.9 | Confident | 55 Ų | 55 | 51 Ų | 51 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | trans | -79 | 146.3 | 170.1 | -84.5 | -48.6 | 113.9 | 0 | 0 | 113.8 | N16 K82 | N16-E18 PolarHBondContact OD1-N 3.14Å; E18-K82 IonicContact OE1-NZ 2.72Å; E18-K82 PolarHBondContact OE1-NZ 3.43Å | ||
| 19 | I | 70.9 | Confident | 85.9 | Confident | 174 Ų | 174 | 51 Ų | 51 | 89% | 0.892 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -82.1 | -28.5 | 179.6 | -60.5 | 175.2 | 0 | 0 | 0 | 110.8 | ||
| 20 | S | 66 | Low | 86 | Confident | 110 Ų | 110 | 48.9 Ų | 48.9 | 77% | 0.769 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -146.7 | 103.9 | -179.1 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 21 | G | 75.7 | Confident | 85.9 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 45% | 0.454 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 119.6 | -167 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N16 | N16-G21 PolarHBondContact ND2-O 2.98Š|
| 22 | K | 81.2 | Confident | 85.3 | Confident | 96 Ų | 96 | 52.2 Ų | 52.2 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | trans | -105.3 | 162.2 | 159 | -66.9 | 160.7 | 174.3 | 178 | 0 | 108.7 | N16 D43 L45 | N16-K22 WeakPolarHBondContact OD1-CA 3.42Å; K22-D43 WeakPolarHBondContact CD-O 3.47Å; K22-D43 PolarHBondContact N-OD1 3.29Å; K22-D43 PolarHBondContact NZ-O 2.95Å; K22-L45 HydrophobicContact CB-CD2 4.19Å; K22-L45 HydrophobicContact CB-CG 4.16Å; K22-L45 HydrophobicContact CD-CG 4.31Å; K22-L45 HydrophobicContact CG-CD1 4.21Å; K22-L45 HydrophobicContact CG-CG 4.12Å | ||
| 23 | S | 87.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -54.8 | 149.3 | 166.7 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | N16 I17 P25 D44 D74 M84 | N16-S23 PolarHBondContact OD1-N 3.15Å; N16-S23 PolarHBondContact OD1-OG 3.3Å; I17-S23 PolarHBondContact N-OG 3.49Å; I17-S23 VanDerWaalsContact N-OG 3.13Å; S23-P25 WeakPolarHBondContact O-CD 3.24Å; S23-D44 PolarHBondContact O-N 3.32Å; S23-D74 VanDerWaalsContact CA-OD1 3.29Å; S23-D74 WeakPolarHBondContact CA-OD1 3.38Å; S23-D74 WeakPolarHBondContact CA-OD2 3.44Å; S23-D74 WeakPolarHBondContact CB-OD1 3.3Å; S23-D74 WeakPolarHBondContact CB-OD2 3.29Å; S23-D74 PolarHBondContact OG-OD2 3.23Å; S23-M84 VanDerWaalsContact CB-CE 3.44Å; S23-M84 WeakPolarHBondContact OG-CE 3.34Å | ||
| 24 | D | 90.8 | Very high | 84.6 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | trans | -105.4 | 70.9 | 177.3 | -69.5 | -16.1 | 0 | 0 | 0 | 109.9 | V40 K41 D42 D43 D74 F75 | D24-V40 HydrophobicContact CB-CG1 3.88Å; D24-V40 WeakPolarHBondContact O-CG1 3.09Å; D24-K41 CarbonylContact C-O 3.58Å; D24-K41 WeakPolarHBondContact CA-O 3.36Å; D24-D42 VanDerWaalsContact OD1-CA 3.22Å; D24-D42 WeakPolarHBondContact OD1-CA 3.5Å; D24-D43 PolarHBondContact OD1-N 2.77Å; D24-D74 PolarHBondContact N-OD1 3.05Å; D24-F75 HydrophobicContact CB-CB 4.25Å; D24-F75 WeakPolarHBondContact O-CB 3.32Å; D24-F75 PolarHBondContact O-N 2.8Å | ||
| 25 | P | 93.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 148.9 | -166.6 | 30.1 | -40.3 | 0 | 0 | 0 | 115.9 | L14 S23 K41 D44 P47 W49 V72 M73 M84 | L14-P25 HydrophobicContact CD1-CB 3.66Å; L14-P25 HydrophobicContact CD1-CG 3.76Å; S23-P25 WeakPolarHBondContact O-CD 3.24Å; P25-K41 VanDerWaalsContact CD-O 3.26Å; P25-K41 WeakPolarHBondContact CD-O 3.45Å; P25-K41 PolarHBondContact O-N 2.78Å; P25-D44 WeakPolarHBondContact CD-O 3.46Å; P25-D44 WeakPolarHBondContact CG-O 3.5Å; P25-P47 HydrophobicContact CB-CG 4.27Å; P25-P47 HydrophobicContact CG-CB 3.85Å; P25-P47 HydrophobicContact CG-CG 3.57Å; P25-W49 HydrophobicContact CB-CZ2 4.03Å; P25-W49 HydrophobicContact CG-CZ2 4.33Å; P25-W49 PolarHBondContact O-NE1 3.37Å; P25-V72 HydrophobicContact CB-CG1 4.24Å; P25-M73 CarbonylContact C-O 3.55Å; P25-M73 VanDerWaalsContact CA-O 3.23Å; P25-M73 WeakPolarHBondContact CA-O 3.3Å; P25-M84 HydrophobicContact CB-SD 3.87Å |
| 26 | Y | 95.9 | Very high | 85.1 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 165.1 | 165.1 | 72.7 | -79.6 | 0 | 0 | 0 | 111.1 | V28 K37 V40 M73 F75 D81 | Y26-V28 HydrophobicContact CD2-CG2 4.19Å; Y26-V28 HydrophobicContact CE2-CG2 3.56Å; Y26-K37 HydrophobicContact CD2-CB 4.06Å; Y26-K37 HydrophobicContact CD2-CD 4.17Å; Y26-K37 HydrophobicContact CE2-CB 4.24Å; Y26-K37 HydrophobicContact CE2-CD 3.96Å; Y26-V40 HydrophobicContact CD1-CG2 4.11Å; Y26-V40 HydrophobicContact CG-CG2 4.27Å; Y26-M73 HydrophobicContact CD1-CB 3.97Å; Y26-M73 WeakPolarHBondContact CD1-O 3.47Å; Y26-M73 HydrophobicContact CE1-CB 3.38Å; Y26-M73 HydrophobicContact CE1-CG 4.43Å; Y26-M73 HydrophobicContact CE2-CB 4.03Å; Y26-M73 HydrophobicContact CE2-CG 4.34Å; Y26-M73 HydrophobicContact CG-CB 4.5Å; Y26-M73 PolarHBondContact N-O 3.48Å; Y26-M73 PolarHBondContact O-N 2.93Å; Y26-F75 HydrophobicContact CD1-CB 3.98Å; Y26-F75 HydrophobicContact CE1-CB 4.13Å; Y26-D81 HydrophobicContact CE1-CB 4.21Å; Y26-D81 PolarHBondContact OH-OD2 2.95Å; Y26-D81 VanDerWaalsContact OH-OD2 3.06Å |
| 27 | V | 96.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.4 | -177.6 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | V8 K37 T38 W49 I70 K71 V72 I119 | V8-V27 HydrophobicContact CG1-CB 4.02Å; V8-V27 HydrophobicContact CG1-CG1 4.12Å; V8-V27 HydrophobicContact CG1-CG2 3.77Å; V8-V27 HydrophobicContact CG2-CG1 4.39Å; V27-K37 CarbonylContact O-C 3.57Å; V27-K37 WeakPolarHBondContact O-CA 3.23Å; V27-T38 HydrophobicContact CB-CG2 4.05Å; V27-T38 PolarHBondContact N-OG1 3.21Å; V27-T38 PolarHBondContact O-N 3.48Å; V27-W49 HydrophobicContact CG2-CD2 4.04Å; V27-W49 HydrophobicContact CG2-CE3 3.81Å; V27-W49 HydrophobicContact CG2-CH2 3.29Å; V27-W49 HydrophobicContact CG2-CZ2 3.57Å; V27-W49 HydrophobicContact CG2-CZ3 3.42Å; V27-W49 VanDerWaalsContact CG2-CZ3 3.42Å; V27-I70 HydrophobicContact CG1-CG2 3.51Å; V27-K71 CarbonylContact C-O 3.6Å; V27-K71 WeakPolarHBondContact CA-O 3.49Å; V27-V72 HydrophobicContact CG2-CG2 4.26Å; V27-I119 HydrophobicContact CG1-CD1 4.04Å; V27-I119 HydrophobicContact CG2-CD1 3.84Å |
| 28 | V | 95.4 | Very high | 86.1 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.4 | 168.6 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | Y26 K35 Q36 K37 K71 M73 | Y26-V28 HydrophobicContact CD2-CG2 4.19Å; Y26-V28 HydrophobicContact CE2-CG2 3.56Å; V28-K35 HydrophobicContact CG1-CB 4.49Å; V28-Q36 WeakPolarHBondContact CA-O 3.49Å; V28-K37 HydrophobicContact CG2-CB 4.27Å; V28-K71 HydrophobicContact CB-CB 4.38Å; V28-K71 PolarHBondContact N-O 2.87Å; V28-K71 PolarHBondContact O-N 2.73Å; V28-M73 HydrophobicContact CG2-CG 4.27Å |
| 29 | V | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.8 | 172.4 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | V6 V8 K35 Q36 I53 I55 V68 I70 | V6-V29 HydrophobicContact CB-CG1 4.35Å; V6-V29 HydrophobicContact CG1-CG1 4.1Å; V6-V29 HydrophobicContact CG1-CG2 4.11Å; V6-V29 HydrophobicContact CG2-CG1 4.13Å; V8-V29 HydrophobicContact CG2-CG2 3.94Å; V29-K35 WeakPolarHBondContact O-CA 3.2Å; V29-Q36 PolarHBondContact N-O 2.91Å; V29-Q36 PolarHBondContact O-N 2.7Å; V29-I53 HydrophobicContact CB-CD1 4.27Å; V29-I53 HydrophobicContact CB-CG2 4.45Å; V29-I53 HydrophobicContact CG2-CD1 3.62Å; V29-I55 HydrophobicContact CG1-CD1 3.91Å; V29-V68 HydrophobicContact CG1-CG2 3.63Å; V29-I70 HydrophobicContact CB-CD1 4.27Å; V29-I70 HydrophobicContact CG1-CD1 3.96Å; V29-I70 HydrophobicContact CG2-CD1 3.89Å |
| 30 | D | 92.4 | Very high | 87.9 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 112.3 | -177.6 | -171.2 | 2.9 | 0 | 0 | 0 | 109.5 | G33 Q34 K35 L69 | D30-G33 WeakPolarHBondContact OD1-CA 3.34Å; D30-G33 PolarHBondContact OD1-N 2.74Å; D30-Q34 WeakPolarHBondContact CA-O 3.41Å; D30-K35 HydrophobicContact CB-CG 3.97Å; D30-K35 WeakPolarHBondContact OD1-CG 3.25Å; D30-K35 WeakPolarHBondContact OD2-CE 3.35Å; D30-K35 IonicContact OD2-NZ 3.88Å; D30-L69 HydrophobicContact CB-CB 4.29Å; D30-L69 PolarHBondContact N-O 2.71Å; D30-L69 PolarHBondContact O-N 2.71Å |
| 31 | F | 89.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 115.8 | 176.9 | -179.8 | -97.6 | 0 | 0 | 0 | 110.2 | L4 G33 Q34 I55 L57 L62 D66 N67 V68 L91 | L4-F31 HydrophobicContact CD2-CD2 4.36Å; F31-G33 PolarHBondContact O-N 3.41Å; F31-Q34 PolarHBondContact N-O 2.96Å; F31-Q34 WeakPolarHBondContact O-CB 3.34Å; F31-Q34 PolarHBondContact O-N 2.78Å; F31-I55 HydrophobicContact CB-CD1 3.8Å; F31-I55 HydrophobicContact CB-CG2 4.41Å; F31-I55 HydrophobicContact CD1-CG2 4.18Å; F31-L57 HydrophobicContact CD1-CD2 3.94Å; F31-L57 HydrophobicContact CE1-CD2 3.56Å; F31-L57 HydrophobicContact CZ-CD2 4.36Å; F31-L62 HydrophobicContact CE1-CD2 4.28Å; F31-L62 HydrophobicContact CE2-CD2 3.94Å; F31-L62 HydrophobicContact CZ-CD2 3.49Å; F31-L62 VanDerWaalsContact CZ-CD2 3.49Å; F31-D66 HydrophobicContact CE2-CB 4.03Å; F31-D66 HydrophobicContact CZ-CB 4.29Å; F31-N67 WeakPolarHBondContact CD2-O 3.37Å; F31-V68 HydrophobicContact CB-CG2 4.24Å; F31-V68 HydrophobicContact CD2-CB 4.31Å; F31-L91 HydrophobicContact CD2-CD1 3.96Å; F31-L91 HydrophobicContact CE2-CD1 3.52Å; F31-L91 HydrophobicContact CZ-CD1 4.39Å |
| 32 | Q | 81.9 | Confident | 89.3 | Confident | 126 Ų | 126 | 55 Ų | 55 | 59% | 0.589 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 38 | -177.7 | -61.9 | -178.1 | -1.6 | 0 | 0 | 113.1 | Q34 D66 | Q32-Q34 PolarHBondContact O-N 3.32Å; Q32-D66 PolarHBondContact NE2-OD1 2.78Å |
| 33 | G | 79 | Confident | 89.4 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -8.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | D30 F31 K35 | D30-G33 WeakPolarHBondContact OD1-CA 3.34Å; D30-G33 PolarHBondContact OD1-N 2.74Å; F31-G33 PolarHBondContact O-N 3.41Å; G33-K35 PolarHBondContact O-N 2.76Å |
| 34 | Q | 82.1 | Confident | 89.4 | Confident | 60 Ų | 60 | 57.3 Ų | 57.3 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 109.8 | 169.3 | -62.5 | -163.4 | 45.9 | 0 | 0 | 109.9 | D30 F31 Q32 I55 D56 | D30-Q34 WeakPolarHBondContact CA-O 3.41Å; F31-Q34 PolarHBondContact N-O 2.96Å; F31-Q34 WeakPolarHBondContact O-CB 3.34Å; F31-Q34 PolarHBondContact O-N 2.78Å; Q32-Q34 PolarHBondContact O-N 3.32Å; Q34-I55 HydrophobicContact CB-CG2 4.28Å; Q34-D56 PolarHBondContact NE2-O 3.42Å |
| 35 | K | 89.1 | Confident | 89.3 | Confident | 142 Ų | 142 | 57.5 Ų | 57.5 | 62% | 0.617 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.2 | -178 | -69.7 | 168.6 | -179.5 | 165 | 0 | 111.4 | V28 V29 D30 G33 | V28-K35 HydrophobicContact CG1-CB 4.49Å; V29-K35 WeakPolarHBondContact O-CA 3.2Å; D30-K35 HydrophobicContact CB-CG 3.97Å; D30-K35 WeakPolarHBondContact OD1-CG 3.25Å; D30-K35 WeakPolarHBondContact OD2-CE 3.35Å; D30-K35 IonicContact OD2-NZ 3.88Å; G33-K35 PolarHBondContact O-N 2.76Å |
| 36 | Q | 88.8 | Confident | 89.1 | Confident | 80 Ų | 80 | 61 Ų | 61 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 159.6 | 167.8 | -68.6 | -170.8 | 48.9 | 0 | 0 | 109.9 | V28 V29 I53 I54 | V28-Q36 WeakPolarHBondContact CA-O 3.49Å; V29-Q36 PolarHBondContact N-O 2.91Å; V29-Q36 PolarHBondContact O-N 2.7Å; Q36-I53 HydrophobicContact CB-CD1 4.32Å; Q36-I53 HydrophobicContact CB-CG1 4.48Å; Q36-I53 HydrophobicContact CB-CG2 3.71Å; Q36-I53 HydrophobicContact CG-CG2 4.26Å; Q36-I54 PolarHBondContact NE2-O 3.45Å |
| 37 | K | 91.6 | Very high | 88.9 | Confident | 133 Ų | 133 | 60.3 Ų | 60.3 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.1 | -178.5 | 67.1 | 174 | -176.3 | 171 | 0 | 112.7 | Y26 V27 V28 | Y26-K37 HydrophobicContact CD2-CB 4.06Å; Y26-K37 HydrophobicContact CD2-CD 4.17Å; Y26-K37 HydrophobicContact CE2-CB 4.24Å; Y26-K37 HydrophobicContact CE2-CD 3.96Å; V27-K37 CarbonylContact O-C 3.57Å; V27-K37 WeakPolarHBondContact O-CA 3.23Å; V28-K37 HydrophobicContact CG2-CB 4.27Å |
| 38 | T | 94.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 169.9 | 171.5 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | V8 V27 W49 E51 I53 | V8-T38 HydrophobicContact CB-CG2 3.95Å; V8-T38 HydrophobicContact CG1-CG2 4.16Å; V8-T38 HydrophobicContact CG2-CG2 4.16Å; V27-T38 HydrophobicContact CB-CG2 4.05Å; V27-T38 PolarHBondContact N-OG1 3.21Å; V27-T38 PolarHBondContact O-N 3.48Å; T38-W49 HydrophobicContact CG2-CB 4.48Å; T38-W49 HydrophobicContact CG2-CG 4.38Å; T38-W49 PolarHBondContact OG1-NE1 3.28Å; T38-E51 WeakPolarHBondContact CA-OE2 3.47Å; T38-E51 WeakPolarHBondContact CB-OE2 3.49Å; T38-E51 HydrophobicContact CG2-CB 4.26Å; T38-I53 HydrophobicContact CG2-CD1 4.04Å |
| 39 | K | 89.6 | Confident | 88.4 | Confident | 142 Ų | 142 | 63.3 Ų | 63.3 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 147.4 | 165.5 | -67.1 | -175.2 | -164.7 | 84.6 | 0 | 111.1 | W49 E51 | K39-W49 PolarHBondContact O-NE1 2.81Å; K39-E51 VanDerWaalsContact CD-OE1 3.31Å; K39-E51 WeakPolarHBondContact CD-OE1 3.4Å; K39-E51 WeakPolarHBondContact CE-OE1 3.18Å; K39-E51 VanDerWaalsContact CG-OE1 3.22Å; K39-E51 WeakPolarHBondContact CG-OE1 3.19Å; K39-E51 PolarHBondContact N-OE2 2.91Å; K39-E51 IonicContact NZ-OE1 3.99Å; K39-E51 PolarHBondContact NZ-OE1 3.44Å |
| 40 | V | 92.4 | Very high | 88.3 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 145.4 | 169.6 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | D24 Y26 F75 | D24-V40 HydrophobicContact CB-CG1 3.88Å; D24-V40 WeakPolarHBondContact O-CG1 3.09Å; Y26-V40 HydrophobicContact CD1-CG2 4.11Å; Y26-V40 HydrophobicContact CG-CG2 4.27Å; V40-F75 HydrophobicContact CB-CB 4.37Å; V40-F75 HydrophobicContact CG1-CB 3.67Å; V40-F75 HydrophobicContact CG1-CD1 3.95Å; V40-F75 HydrophobicContact CG1-CG 4.05Å; V40-F75 HydrophobicContact CG2-CB 3.69Å; V40-F75 HydrophobicContact CG2-CD1 4.11Å; V40-F75 HydrophobicContact CG2-CD2 4.14Å; V40-F75 HydrophobicContact CG2-CG 3.7Å |
| 41 | K | 87.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 30% | 0.296 | 35% | 0.351 | S | S | . | . | trans | -120.6 | 98.2 | 175.1 | -69.5 | -74.1 | 174.8 | 156.2 | 0 | 109.5 | D24 P25 P47 V48 W49 | D24-K41 CarbonylContact C-O 3.58Å; D24-K41 WeakPolarHBondContact CA-O 3.36Å; P25-K41 VanDerWaalsContact CD-O 3.26Å; P25-K41 WeakPolarHBondContact CD-O 3.45Å; P25-K41 PolarHBondContact O-N 2.78Å; K41-P47 HydrophobicContact CB-CB 3.96Å; K41-P47 HydrophobicContact CG-CB 4.03Å; K41-V48 WeakPolarHBondContact CE-O 3.44Å; K41-V48 PolarHBondContact NZ-O 2.88Å; K41-W49 HydrophobicContact CG-CG 4.48Å | ||
| 42 | D | 83.7 | Confident | 88.2 | Confident | 108 Ų | 108 | 73.4 Ų | 73.4 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 134.7 | -177.3 | -54.4 | 12.3 | 0 | 0 | 0 | 112 | D24 D44 | D24-D42 VanDerWaalsContact OD1-CA 3.22Å; D24-D42 WeakPolarHBondContact OD1-CA 3.5Å; D42-D44 PolarHBondContact O-N 3.26Å |
| 43 | D | 83.2 | Confident | 88.5 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 37.1 | 172.4 | -97.1 | -48.2 | 0 | 0 | 0 | 116.4 | K22 D24 | K22-D43 WeakPolarHBondContact CD-O 3.47Å; K22-D43 PolarHBondContact N-OD1 3.29Å; K22-D43 PolarHBondContact NZ-O 2.95Å; D24-D43 PolarHBondContact OD1-N 2.77Å |
| 44 | D | 87.9 | Confident | 88.9 | Confident | 53 Ų | 53 | 69 Ų | 69 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | trans | -132.9 | 124.4 | -177.1 | -162.2 | -1.6 | 0 | 0 | 0 | 115.3 | S23 P25 D42 N46 P47 | S23-D44 PolarHBondContact O-N 3.32Å; P25-D44 WeakPolarHBondContact CD-O 3.46Å; P25-D44 WeakPolarHBondContact CG-O 3.5Å; D42-D44 PolarHBondContact O-N 3.26Å; D44-N46 PolarHBondContact OD1-N 2.86Å; D44-P47 WeakPolarHBondContact OD2-CA 3.41Å | ||
| 45 | L | 87.2 | Confident | 89.2 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -97 | -4.1 | 176.9 | -56.6 | 177.4 | 0 | 0 | 0 | 113.4 | L14 N16 K22 | L14-L45 WeakPolarHBondContact CB-O 3.41Å; L14-L45 PolarHBondContact N-O 3.02Å; N16-L45 HydrophobicContact CB-CD1 3.85Å; N16-L45 HydrophobicContact CB-CD2 3.95Å; K22-L45 HydrophobicContact CB-CD2 4.19Å; K22-L45 HydrophobicContact CB-CG 4.16Å; K22-L45 HydrophobicContact CD-CG 4.31Å; K22-L45 HydrophobicContact CG-CD1 4.21Å; K22-L45 HydrophobicContact CG-CG 4.12Å |
| 46 | N | 89.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -127.6 | 51.4 | 172 | -59.1 | -86.3 | 0 | 0 | 0 | 110.5 | A11 N12 N13 D44 | A11-N46 CarbonylContact O-C 3.54Å; A11-N46 WeakPolarHBondContact O-CA 3.38Å; N12-N46 WeakPolarHBondContact CA-OD1 3.26Å; N13-N46 PolarHBondContact N-OD1 3.46Å; D44-N46 PolarHBondContact OD1-N 2.86Å |
| 47 | P | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -63.2 | 136.4 | -168.3 | 30.5 | -40.3 | 0 | 0 | 0 | 112 | K10 A11 L14 P25 K41 D44 W49 | K10-P47 CarbonylContact C-O 3.57Å; K10-P47 WeakPolarHBondContact CA-O 3.37Å; K10-P47 WeakPolarHBondContact CB-O 3.41Å; A11-P47 HydrophobicContact CB-CG 4.12Å; A11-P47 PolarHBondContact N-O 2.82Å; L14-P47 HydrophobicContact CD1-CG 3.61Å; P25-P47 HydrophobicContact CB-CG 4.27Å; P25-P47 HydrophobicContact CG-CB 3.85Å; P25-P47 HydrophobicContact CG-CG 3.57Å; K41-P47 HydrophobicContact CB-CB 3.96Å; K41-P47 HydrophobicContact CG-CB 4.03Å; D44-P47 WeakPolarHBondContact OD2-CA 3.41Å; P47-W49 HydrophobicContact CB-CD2 4.42Å; P47-W49 HydrophobicContact CB-CH2 3.97Å; P47-W49 HydrophobicContact CB-CZ2 3.76Å; P47-W49 HydrophobicContact CB-CZ3 4.36Å; P47-W49 HydrophobicContact CG-CE3 4.42Å; P47-W49 HydrophobicContact CG-CH2 3.23Å; P47-W49 HydrophobicContact CG-CZ2 3.47Å; P47-W49 VanDerWaalsContact CG-CZ2 3.47Å; P47-W49 HydrophobicContact CG-CZ3 3.76Å | ||
| 48 | V | 90.2 | Very high | 87.9 | Confident | 77 Ų | 77 | 60.3 Ų | 60.3 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.1 | 169.3 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | K9 K10 K41 | K9-V48 CarbonylContact O-C 3.56Å; K10-V48 HydrophobicContact CB-CB 4.26Å; K10-V48 HydrophobicContact CB-CG1 4.36Å; K10-V48 HydrophobicContact CB-CG2 3.92Å; K10-V48 HydrophobicContact CD-CG2 4.32Å; K41-V48 WeakPolarHBondContact CE-O 3.44Å; K41-V48 PolarHBondContact NZ-O 2.88Å |
| 49 | W | 92.2 | Very high | 86.8 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -54.3 | 176.5 | -63.7 | -81.4 | 0 | 0 | 0 | 111.3 | V8 K9 A11 P25 V27 T38 K39 K41 P47 E51 V72 I119 | V8-W49 HydrophobicContact CG1-CD2 4.41Å; V8-W49 HydrophobicContact CG1-CE3 3.82Å; V8-W49 HydrophobicContact CG1-CZ3 4.37Å; K9-W49 PolarHBondContact O-N 3.3Å; A11-W49 HydrophobicContact CB-CH2 3.91Å; A11-W49 HydrophobicContact CB-CZ3 3.74Å; P25-W49 HydrophobicContact CB-CZ2 4.03Å; P25-W49 HydrophobicContact CG-CZ2 4.33Å; P25-W49 PolarHBondContact O-NE1 3.37Å; V27-W49 HydrophobicContact CG2-CD2 4.04Å; V27-W49 HydrophobicContact CG2-CE3 3.81Å; V27-W49 HydrophobicContact CG2-CH2 3.29Å; V27-W49 HydrophobicContact CG2-CZ2 3.57Å; V27-W49 HydrophobicContact CG2-CZ3 3.42Å; V27-W49 VanDerWaalsContact CG2-CZ3 3.42Å; T38-W49 HydrophobicContact CG2-CB 4.48Å; T38-W49 HydrophobicContact CG2-CG 4.38Å; T38-W49 PolarHBondContact OG1-NE1 3.28Å; K39-W49 PolarHBondContact O-NE1 2.81Å; K41-W49 HydrophobicContact CG-CG 4.48Å; P47-W49 HydrophobicContact CB-CD2 4.42Å; P47-W49 HydrophobicContact CB-CH2 3.97Å; P47-W49 HydrophobicContact CB-CZ2 3.76Å; P47-W49 HydrophobicContact CB-CZ3 4.36Å; P47-W49 HydrophobicContact CG-CE3 4.42Å; P47-W49 HydrophobicContact CG-CH2 3.23Å; P47-W49 HydrophobicContact CG-CZ2 3.47Å; P47-W49 VanDerWaalsContact CG-CZ2 3.47Å; P47-W49 HydrophobicContact CG-CZ3 3.76Å; W49-E51 VanDerWaalsContact C-N 3.31Å; W49-E51 HydrophobicContact CB-CG 4.23Å; W49-V72 HydrophobicContact CH2-CG1 4.38Å; W49-I119 HydrophobicContact CZ3-CD1 4.41Å |
| 50 | D | 89.9 | Confident | 86.1 | Confident | 102 Ų | 102 | 62.4 Ų | 62.4 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.5 | 48.8 | -170.1 | -158.3 | 23.7 | 0 | 0 | 0 | 112.2 | N7 V8 K9 | N7-D50 PolarHBondContact ND2-OD1 3.19Å; N7-D50 VanDerWaalsContact ND2-OD1 3.12Å; N7-D50 PolarHBondContact OD1-OD1 3.06Å; V8-D50 VanDerWaalsContact O-CA 3.31Å; V8-D50 WeakPolarHBondContact O-CA 3.46Å; V8-D50 PolarHBondContact O-N 3.23Å; K9-D50 PolarHBondContact O-N 3.47Å |
| 51 | E | 89.9 | Confident | 85.4 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.5 | -177.2 | -66 | -163.3 | 146.2 | 0 | 0 | 112 | N7 V8 T38 K39 W49 | N7-E51 WeakPolarHBondContact CA-O 3.22Å; V8-E51 PolarHBondContact N-O 3.05Å; V8-E51 PolarHBondContact O-N 3.3Å; V8-E51 VanDerWaalsContact O-N 3.1Å; T38-E51 WeakPolarHBondContact CA-OE2 3.47Å; T38-E51 WeakPolarHBondContact CB-OE2 3.49Å; T38-E51 HydrophobicContact CG2-CB 4.26Å; K39-E51 VanDerWaalsContact CD-OE1 3.31Å; K39-E51 WeakPolarHBondContact CD-OE1 3.4Å; K39-E51 WeakPolarHBondContact CE-OE1 3.18Å; K39-E51 VanDerWaalsContact CG-OE1 3.22Å; K39-E51 WeakPolarHBondContact CG-OE1 3.19Å; K39-E51 PolarHBondContact N-OE2 2.91Å; K39-E51 IonicContact NZ-OE1 3.99Å; K39-E51 PolarHBondContact NZ-OE1 3.44Å; W49-E51 VanDerWaalsContact C-N 3.31Å; W49-E51 HydrophobicContact CB-CG 4.23Å |
| 52 | E | 90.4 | Very high | 85.1 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.3 | 174.3 | -170.9 | 179.8 | -151.3 | 0 | 0 | 111.4 | H5 I54 | H5-E52 IonicContact CE1-OE1 2.65Å; H5-E52 IonicContact CG-OE1 3.41Å; H5-E52 IonicContact ND1-OE1 2.87Å; H5-E52 PolarHBondContact ND1-OE1 2.85Å; E52-I54 HydrophobicContact CG-CG1 4.24Å |
| 53 | I | 89.7 | Confident | 84.9 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.6 | 173.4 | -74.1 | 169.7 | 0 | 0 | 0 | 108.1 | V6 V8 V29 Q36 T38 I55 | V6-I53 HydrophobicContact CB-CB 4.4Å; V6-I53 PolarHBondContact N-O 3.3Å; V6-I53 PolarHBondContact O-N 2.91Å; V8-I53 HydrophobicContact CG2-CD1 4.5Å; V29-I53 HydrophobicContact CB-CD1 4.27Å; V29-I53 HydrophobicContact CB-CG2 4.45Å; V29-I53 HydrophobicContact CG2-CD1 3.62Å; Q36-I53 HydrophobicContact CB-CD1 4.32Å; Q36-I53 HydrophobicContact CB-CG1 4.48Å; Q36-I53 HydrophobicContact CB-CG2 3.71Å; Q36-I53 HydrophobicContact CG-CG2 4.26Å; T38-I53 HydrophobicContact CG2-CD1 4.04Å; I53-I55 HydrophobicContact CG2-CD1 4.46Å; I53-I55 HydrophobicContact CG2-CG1 4.05Å |
| 54 | I | 87.5 | Confident | 84.5 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.7 | 179.4 | -53.4 | 178.1 | 0 | 0 | 0 | 109 | A3 Q36 E52 | A3-I54 HydrophobicContact CB-CG2 4.11Å; Q36-I54 PolarHBondContact NE2-O 3.45Å; E52-I54 HydrophobicContact CG-CG1 4.24Å |
| 55 | I | 86.8 | Confident | 84 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111.5 | -178.6 | -53.1 | 179.2 | 0 | 0 | 0 | 108.5 | A3 L4 V6 V29 F31 Q34 I53 L57 | A3-I55 WeakPolarHBondContact CA-O 3.09Å; L4-I55 HydrophobicContact CB-CB 4.4Å; L4-I55 PolarHBondContact N-O 2.92Å; L4-I55 PolarHBondContact O-N 3.39Å; V6-I55 HydrophobicContact CG2-CD1 4.14Å; V29-I55 HydrophobicContact CG1-CD1 3.91Å; F31-I55 HydrophobicContact CB-CD1 3.8Å; F31-I55 HydrophobicContact CB-CG2 4.41Å; F31-I55 HydrophobicContact CD1-CG2 4.18Å; Q34-I55 HydrophobicContact CB-CG2 4.28Å; I53-I55 HydrophobicContact CG2-CD1 4.46Å; I53-I55 HydrophobicContact CG2-CG1 4.05Å; I55-L57 HydrophobicContact CG2-CD2 4.27Å; I55-L57 PolarHBondContact O-N 3.15Å |
| 56 | D | 82.3 | Confident | 84 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 119.3 | 173.1 | 174.5 | 17.9 | 0 | 0 | 0 | 109.9 | M1 Q34 K58 | M1-D56 HydrophobicContact SD-CB 4.44Å; Q34-D56 PolarHBondContact NE2-O 3.42Å; D56-K58 PolarHBondContact O-N 2.98Å; D56-K58 WeakPolarHBondContact OD1-CA 3.47Å; D56-K58 PolarHBondContact OD1-N 2.68Å |
| 57 | L | 82.1 | Confident | 84 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | trans | -82.4 | 6.2 | 179.5 | -50.7 | -176.8 | 0 | 0 | 0 | 112.8 | Y2 L4 F31 I55 G59 K60 L62 Y125 | Y2-L57 WeakPolarHBondContact O-CB 3.19Å; Y2-L57 PolarHBondContact O-N 3.47Å; L4-L57 HydrophobicContact CB-CD2 4.22Å; F31-L57 HydrophobicContact CD1-CD2 3.94Å; F31-L57 HydrophobicContact CE1-CD2 3.56Å; F31-L57 HydrophobicContact CZ-CD2 4.36Å; I55-L57 HydrophobicContact CG2-CD2 4.27Å; I55-L57 PolarHBondContact O-N 3.15Å; L57-G59 PolarHBondContact O-N 3.02Å; L57-G59 VanDerWaalsContact O-N 3.15Å; L57-K60 WeakPolarHBondContact CB-O 3.49Å; L57-K60 PolarHBondContact O-N 2.81Å; L57-L62 HydrophobicContact CD1-CD1 4.45Å; L57-L62 HydrophobicContact CD1-CD2 3.88Å; L57-L62 HydrophobicContact CD1-CG 3.66Å; L57-L62 HydrophobicContact CD2-CD2 4.45Å; L57-Y125 HydrophobicContact CD1-CD2 4.35Å; L57-Y125 HydrophobicContact CD1-CE2 3.7Å | ||
| 58 | K | 77.7 | Confident | 84 | Confident | 161 Ų | 161 | 53.5 Ų | 53.5 | 70% | 0.7 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38.1 | 174.3 | -59.7 | -177.4 | -179.3 | 179.1 | 0 | 113.2 | D56 | D56-K58 PolarHBondContact O-N 2.98Å; D56-K58 WeakPolarHBondContact OD1-CA 3.47Å; D56-K58 PolarHBondContact OD1-N 2.68Å |
| 59 | G | 71.3 | Confident | 84.2 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -6.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y2 L57 | Y2-G59 WeakPolarHBondContact CD2-O 3.45Å; L57-G59 PolarHBondContact O-N 3.02Å; L57-G59 VanDerWaalsContact O-N 3.15Å |
| 60 | K | 75.2 | Confident | 84.3 | Confident | 144 Ų | 144 | 51 Ų | 51 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 131 | 172.3 | -63.9 | -175.7 | 177.9 | -176.6 | 0 | 110.2 | L57 | L57-K60 WeakPolarHBondContact CB-O 3.49Å; L57-K60 PolarHBondContact O-N 2.81Å |
| 61 | P | 79.1 | Confident | 84.6 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 152.3 | 168.4 | 32.2 | -33.8 | 0 | 0 | 0 | 110.6 | Y2 Y125 | Y2-P61 HydrophobicContact CD1-CB 4.42Å; Y2-P61 HydrophobicContact CE1-CB 4.11Å; P61-Y125 WeakPolarHBondContact CA-OH 3.33Å; P61-Y125 WeakPolarHBondContact CB-OH 3.41Å |
| 62 | L | 80.4 | Confident | 84.8 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 143.2 | 168.2 | -70.7 | 174.2 | 0 | 0 | 0 | 110.9 | L4 F31 L57 D66 L91 L95 Y125 | L4-L62 HydrophobicContact CD1-CD1 4.28Å; F31-L62 HydrophobicContact CE1-CD2 4.28Å; F31-L62 HydrophobicContact CE2-CD2 3.94Å; F31-L62 HydrophobicContact CZ-CD2 3.49Å; F31-L62 VanDerWaalsContact CZ-CD2 3.49Å; L57-L62 HydrophobicContact CD1-CD1 4.45Å; L57-L62 HydrophobicContact CD1-CD2 3.88Å; L57-L62 HydrophobicContact CD1-CG 3.66Å; L57-L62 HydrophobicContact CD2-CD2 4.45Å; L62-D66 WeakPolarHBondContact CA-OD2 3.29Å; L62-D66 HydrophobicContact CD2-CB 4.15Å; L62-L91 HydrophobicContact CD1-CD1 4.14Å; L62-L91 HydrophobicContact CD2-CD1 3.67Å; L62-L95 HydrophobicContact CB-CD2 3.53Å; L62-L95 WeakPolarHBondContact O-CD2 3.31Å; L62-Y125 HydrophobicContact CB-CE2 4.43Å; L62-Y125 HydrophobicContact CD1-CD1 4.42Å; L62-Y125 HydrophobicContact CD1-CD2 3.73Å; L62-Y125 HydrophobicContact CD1-CE2 3.99Å; L62-Y125 HydrophobicContact CD1-CG 3.97Å; L62-Y125 HydrophobicContact CG-CD2 4.23Å; L62-Y125 HydrophobicContact CG-CE2 3.97Å; L62-Y125 PolarHBondContact N-OH 2.86Å; L62-Y125 VanDerWaalsContact N-OH 3.12Å |
| 63 | V | 79.3 | Confident | 85 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | trans | -108.6 | 161.1 | 167.6 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | S65 D66 | V63-S65 PolarHBondContact O-N 3.4Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.49Å; V63-D66 PolarHBondContact N-OD2 2.86Å; V63-D66 WeakPolarHBondContact O-CB 3.07Å; V63-D66 PolarHBondContact O-N 2.92Å | ||
| 64 | A | 74.7 | Confident | 85.1 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -22.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q92 L95 D155 | A64-Q92 HydrophobicContact CB-CG 4.28Å; A64-Q92 WeakPolarHBondContact O-CB 3.3Å; A64-L95 VanDerWaalsContact CA-CD1 3.46Å; A64-L95 HydrophobicContact CB-CD1 3.76Å; A64-D155 HydrophobicContact CB-CB 3.85Å; A64-D155 WeakPolarHBondContact CB-OD2 3.37Å |
| 65 | S | 77.5 | Confident | 85.2 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -3.9 | 174.4 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | V63 N67 A153 V154 | V63-S65 PolarHBondContact O-N 3.4Å; S65-N67 PolarHBondContact O-ND2 3.16Å; S65-A153 WeakPolarHBondContact CB-O 3.19Å; S65-A153 PolarHBondContact OG-O 2.81Å; S65-A153 VanDerWaalsContact OG-O 3.06Å; S65-V154 WeakPolarHBondContact OG-CA 3.44Å |
| 66 | D | 87.1 | Confident | 85 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | trans | -65.7 | 138.8 | 179 | -83.4 | -42.6 | 0 | 0 | 0 | 110.7 | F31 Q32 L62 V63 L91 | F31-D66 HydrophobicContact CE2-CB 4.03Å; F31-D66 HydrophobicContact CZ-CB 4.29Å; Q32-D66 PolarHBondContact NE2-OD1 2.78Å; L62-D66 WeakPolarHBondContact CA-OD2 3.29Å; L62-D66 HydrophobicContact CD2-CB 4.15Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.49Å; V63-D66 PolarHBondContact N-OD2 2.86Å; V63-D66 WeakPolarHBondContact O-CB 3.07Å; V63-D66 PolarHBondContact O-N 2.92Å; D66-L91 HydrophobicContact CB-CB 4.38Å; D66-L91 HydrophobicContact CB-CD1 4.05Å; D66-L91 WeakPolarHBondContact O-CB 3.4Å; D66-L91 WeakPolarHBondContact O-CG 3.5Å; D66-L91 PolarHBondContact O-N 3.3Å | ||
| 67 | N | 90.2 | Very high | 84.8 | Confident | 65 Ų | 65 | 49 Ų | 49 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.9 | 177.9 | -66.8 | -85.1 | 0 | 0 | 0 | 109.8 | F31 S65 L88 I89 P90 | F31-N67 WeakPolarHBondContact CD2-O 3.37Å; S65-N67 PolarHBondContact O-ND2 3.16Å; N67-L88 HydrophobicContact CB-CD1 3.71Å; N67-L88 HydrophobicContact CB-CD2 4.37Å; N67-L88 HydrophobicContact CB-CG 3.91Å; N67-I89 CarbonylContact C-O 3.46Å; N67-I89 WeakPolarHBondContact CA-O 3.43Å; N67-P90 VanDerWaalsContact OD1-CA 3.23Å; N67-P90 WeakPolarHBondContact OD1-CA 3.22Å; N67-P90 WeakPolarHBondContact OD1-CG 3.34Å |
| 68 | V | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.9 | 167.8 | 65.6 | 0 | 0 | 0 | 0 | 110.1 | V29 F31 I70 I89 L91 L123 | V29-V68 HydrophobicContact CG1-CG2 3.63Å; F31-V68 HydrophobicContact CB-CG2 4.24Å; F31-V68 HydrophobicContact CD2-CB 4.31Å; V68-I70 HydrophobicContact CG2-CD1 4.15Å; V68-I89 HydrophobicContact CG1-CB 3.86Å; V68-I89 HydrophobicContact CG1-CG2 4.36Å; V68-I89 PolarHBondContact N-O 2.9Å; V68-I89 PolarHBondContact O-N 2.67Å; V68-L91 HydrophobicContact CB-CD2 4.26Å; V68-L91 HydrophobicContact CG1-CD2 3.79Å; V68-L123 HydrophobicContact CG1-CD1 4.41Å |
| 69 | L | 93.9 | Very high | 84.2 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.9 | 179.2 | 178.4 | 58.6 | 0 | 0 | 0 | 109.9 | D30 K71 Q86 L88 | D30-L69 HydrophobicContact CB-CB 4.29Å; D30-L69 PolarHBondContact N-O 2.71Å; D30-L69 PolarHBondContact O-N 2.71Å; L69-K71 VanDerWaalsContact CD2-CE 3.48Å; L69-K71 HydrophobicContact CG-CG 4.42Å; L69-Q86 HydrophobicContact CD1-CB 4.37Å; L69-L88 HydrophobicContact CB-CD1 3.94Å; L69-L88 HydrophobicContact CD1-CB 4.43Å; L69-L88 HydrophobicContact CD1-CD1 4.21Å |
| 70 | I | 94.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.6 | 178.4 | -53.4 | -61.5 | 0 | 0 | 0 | 108.4 | V6 V27 V29 V68 Q86 A87 I89 I119 L121 | V6-I70 HydrophobicContact CG1-CD1 4.46Å; V27-I70 HydrophobicContact CG1-CG2 3.51Å; V29-I70 HydrophobicContact CB-CD1 4.27Å; V29-I70 HydrophobicContact CG1-CD1 3.96Å; V29-I70 HydrophobicContact CG2-CD1 3.89Å; V68-I70 HydrophobicContact CG2-CD1 4.15Å; I70-Q86 CarbonylContact O-C 3.45Å; I70-Q86 WeakPolarHBondContact O-CA 3.42Å; I70-Q86 WeakPolarHBondContact O-CB 3.45Å; I70-A87 PolarHBondContact N-O 3Å; I70-A87 PolarHBondContact O-N 3.26Å; I70-I89 HydrophobicContact CG1-CD1 3.63Å; I70-I89 HydrophobicContact CG1-CG1 4.38Å; I70-I119 HydrophobicContact CG2-CD1 3.81Å; I70-L121 HydrophobicContact CD1-CD2 4.07Å; I70-L121 HydrophobicContact CG1-CD2 3.88Å; I70-L121 HydrophobicContact CG2-CD2 4.48Å |
| 71 | K | 94.9 | Very high | 85.1 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.2 | 176.1 | -66.8 | 177 | 176 | 161.6 | 0 | 110.2 | V27 V28 L69 G85 Q86 | V27-K71 CarbonylContact C-O 3.6Å; V27-K71 WeakPolarHBondContact CA-O 3.49Å; V28-K71 HydrophobicContact CB-CB 4.38Å; V28-K71 PolarHBondContact N-O 2.87Å; V28-K71 PolarHBondContact O-N 2.73Å; L69-K71 VanDerWaalsContact CD2-CE 3.48Å; L69-K71 HydrophobicContact CG-CG 4.42Å; K71-G85 CarbonylContact C-O 3.5Å; K71-G85 WeakPolarHBondContact CA-O 3.27Å; K71-Q86 VanDerWaalsContact CE-OE1 3.27Å; K71-Q86 HydrophobicContact CG-CB 3.82Å |
| 72 | V | 95.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.4 | 172.4 | -170.4 | 0 | 0 | 0 | 0 | 109 | L14 P25 V27 W49 M84 G85 L107 I119 | L14-V72 HydrophobicContact CD1-CG1 3.95Å; L14-V72 HydrophobicContact CD2-CB 4.45Å; L14-V72 HydrophobicContact CD2-CG1 3.87Å; P25-V72 HydrophobicContact CB-CG1 4.24Å; V27-V72 HydrophobicContact CG2-CG2 4.26Å; W49-V72 HydrophobicContact CH2-CG1 4.38Å; V72-M84 HydrophobicContact CB-CB 4.36Å; V72-M84 HydrophobicContact CG1-CB 4.28Å; V72-M84 HydrophobicContact CG1-SD 4.06Å; V72-M84 WeakPolarHBondContact O-CB 3.47Å; V72-M84 PolarHBondContact O-N 3.49Å; V72-G85 PolarHBondContact N-O 3.05Å; V72-G85 PolarHBondContact O-N 3.07Å; V72-L107 HydrophobicContact CB-CD1 4.17Å; V72-L107 HydrophobicContact CG2-CD1 3.59Å; V72-L107 HydrophobicContact CG2-CD2 3.94Å; V72-L107 HydrophobicContact CG2-CG 4.44Å; V72-I119 HydrophobicContact CG2-CD1 3.79Å |
| 73 | M | 93.8 | Very high | 86.1 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 14% | 0.143 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.1 | -172 | -61.5 | -63.7 | -58.4 | 0 | 0 | 109 | P25 Y26 V28 D81 K82 F83 | P25-M73 CarbonylContact C-O 3.55Å; P25-M73 VanDerWaalsContact CA-O 3.23Å; P25-M73 WeakPolarHBondContact CA-O 3.3Å; Y26-M73 HydrophobicContact CD1-CB 3.97Å; Y26-M73 WeakPolarHBondContact CD1-O 3.47Å; Y26-M73 HydrophobicContact CE1-CB 3.38Å; Y26-M73 HydrophobicContact CE1-CG 4.43Å; Y26-M73 HydrophobicContact CE2-CB 4.03Å; Y26-M73 HydrophobicContact CE2-CG 4.34Å; Y26-M73 HydrophobicContact CG-CB 4.5Å; Y26-M73 PolarHBondContact N-O 3.48Å; Y26-M73 PolarHBondContact O-N 2.93Å; V28-M73 HydrophobicContact CG2-CG 4.27Å; M73-D81 HydrophobicContact CE-CB 4.14Å; M73-D81 WeakPolarHBondContact CE-O 3.42Å; M73-K82 CarbonylContact C-O 3.58Å; M73-K82 WeakPolarHBondContact CA-O 3.27Å; M73-F83 HydrophobicContact CE-CB 4.39Å; M73-F83 HydrophobicContact SD-CB 4.16Å; M73-F83 HydrophobicContact SD-CD2 3.94Å |
| 74 | D | 92.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.7 | 172.6 | -164.6 | -1.2 | 0 | 0 | 0 | 108.7 | I17 S23 D24 D81 K82 M84 | I17-D74 HydrophobicContact CD1-CB 3.88Å; I17-D74 HydrophobicContact CG1-CB 4.15Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.34Å; S23-D74 VanDerWaalsContact CA-OD1 3.29Å; S23-D74 WeakPolarHBondContact CA-OD1 3.38Å; S23-D74 WeakPolarHBondContact CA-OD2 3.44Å; S23-D74 WeakPolarHBondContact CB-OD1 3.3Å; S23-D74 WeakPolarHBondContact CB-OD2 3.29Å; S23-D74 PolarHBondContact OG-OD2 3.23Å; D24-D74 PolarHBondContact N-OD1 3.05Å; D74-D81 CarbonylContact O-C 3.52Å; D74-D81 WeakPolarHBondContact O-CA 3.45Å; D74-D81 VanDerWaalsContact O-CB 3.3Å; D74-D81 WeakPolarHBondContact O-CB 3.41Å; D74-K82 HydrophobicContact CB-CB 4.15Å; D74-K82 PolarHBondContact N-O 3.12Å; D74-K82 PolarHBondContact O-N 2.71Å; D74-M84 HydrophobicContact CB-CG 3.98Å; D74-M84 HydrophobicContact CB-SD 3.89Å |
| 75 | F | 88.8 | Confident | 87.2 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | trans | -89.6 | 126.3 | -175.6 | 175.2 | -106.6 | 0 | 0 | 0 | 112.4 | D24 Y26 V40 K77 D81 | D24-F75 HydrophobicContact CB-CB 4.25Å; D24-F75 WeakPolarHBondContact O-CB 3.32Å; D24-F75 PolarHBondContact O-N 2.8Å; Y26-F75 HydrophobicContact CD1-CB 3.98Å; Y26-F75 HydrophobicContact CE1-CB 4.13Å; V40-F75 HydrophobicContact CB-CB 4.37Å; V40-F75 HydrophobicContact CG1-CB 3.67Å; V40-F75 HydrophobicContact CG1-CD1 3.95Å; V40-F75 HydrophobicContact CG1-CG 4.05Å; V40-F75 HydrophobicContact CG2-CB 3.69Å; V40-F75 HydrophobicContact CG2-CD1 4.11Å; V40-F75 HydrophobicContact CG2-CD2 4.14Å; V40-F75 HydrophobicContact CG2-CG 3.7Å; F75-K77 HydrophobicContact CE1-CG 3.93Å; F75-K77 HydrophobicContact CZ-CG 4.5Å; F75-D81 WeakPolarHBondContact CA-OD1 3.5Å; F75-D81 VanDerWaalsContact CD2-OD1 3.31Å; F75-D81 WeakPolarHBondContact CD2-OD1 3.38Å | ||
| 76 | D | 84.1 | Confident | 88.1 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | trans | -112.8 | 127.3 | 178.6 | -98.4 | -94.1 | 0 | 0 | 0 | 111.8 | V78 T79 D81 K82 | D76-V78 VanDerWaalsContact C-N 3.25Å; D76-V78 PolarHBondContact O-N 3.09Å; D76-T79 WeakPolarHBondContact CB-O 3.34Å; D76-T79 PolarHBondContact OD1-OG1 2.82Å; D76-T79 PolarHBondContact OD2-OG1 3.08Å; D76-D81 PolarHBondContact N-OD1 2.87Å; D76-K82 VanDerWaalsContact CG-NZ 3.28Å; D76-K82 IonicContact OD1-NZ 2.77Å; D76-K82 PolarHBondContact OD1-NZ 2.86Å; D76-K82 WeakPolarHBondContact OD2-CE 3.42Å; D76-K82 IonicContact OD2-NZ 3.49Å; D76-K82 PolarHBondContact OD2-NZ 3.33Å | ||
| 77 | K | 76.5 | Confident | 88.3 | Confident | 166 Ų | 166 | 48 Ų | 48 | 72% | 0.722 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -68.5 | -20.6 | 174.3 | -81 | 175 | -179 | 125.3 | 0 | 114.4 | F75 | F75-K77 HydrophobicContact CE1-CG 3.93Å; F75-K77 HydrophobicContact CZ-CG 4.5Å |
| 78 | V | 73.7 | Confident | 88.4 | Confident | 138 Ų | 138 | 50 Ų | 50 | 84% | 0.836 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -130.6 | -29.7 | -169.5 | -169.3 | 0 | 0 | 0 | 0 | 113 | D76 | D76-V78 VanDerWaalsContact C-N 3.25Å; D76-V78 PolarHBondContact O-N 3.09Å |
| 79 | T | 73.6 | Confident | 88.4 | Confident | 68 Ų | 68 | 50.2 Ų | 50.2 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -111.7 | 170.9 | 179.6 | 81.7 | 0 | 0 | 0 | 0 | 110.9 | D76 | D76-T79 WeakPolarHBondContact CB-O 3.34Å; D76-T79 PolarHBondContact OD1-OG1 2.82Å; D76-T79 PolarHBondContact OD2-OG1 3.08Å |
| 80 | P | 77.1 | Confident | 88 | Confident | 115 Ų | 115 | 52 Ų | 52 | 75% | 0.747 | 27% | 0.274 | S | S | * | . | trans | -71.6 | 130.9 | 177.7 | -17.9 | 32.4 | 0 | 0 | 0 | 111.9 | K82 | P80-K82 PolarHBondContact O-N 2.89Š| ||
| 81 | D | 89.8 | Confident | 87.6 | Confident | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | trans | -41.5 | 124.5 | 178 | -60.9 | -23.2 | 0 | 0 | 0 | 112.7 | Y26 M73 D74 F75 D76 | Y26-D81 HydrophobicContact CE1-CB 4.21Å; Y26-D81 PolarHBondContact OH-OD2 2.95Å; Y26-D81 VanDerWaalsContact OH-OD2 3.06Å; M73-D81 HydrophobicContact CE-CB 4.14Å; M73-D81 WeakPolarHBondContact CE-O 3.42Å; D74-D81 CarbonylContact O-C 3.52Å; D74-D81 WeakPolarHBondContact O-CA 3.45Å; D74-D81 VanDerWaalsContact O-CB 3.3Å; D74-D81 WeakPolarHBondContact O-CB 3.41Å; F75-D81 WeakPolarHBondContact CA-OD1 3.5Å; F75-D81 VanDerWaalsContact CD2-OD1 3.31Å; F75-D81 WeakPolarHBondContact CD2-OD1 3.38Å; D76-D81 PolarHBondContact N-OD1 2.87Å | ||
| 82 | K | 87.7 | Confident | 86.9 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 139.9 | -169.1 | -55 | 179.2 | -174.6 | 92.1 | 0 | 111.3 | I17 E18 M73 D74 D76 P80 | I17-K82 HydrophobicContact CD1-CB 3.46Å; I17-K82 VanDerWaalsContact CD1-CB 3.46Å; I17-K82 HydrophobicContact CD1-CD 4.24Å; I17-K82 HydrophobicContact CD1-CG 4.5Å; I17-K82 HydrophobicContact CG1-CB 4.4Å; I17-K82 HydrophobicContact CG1-CD 4.38Å; E18-K82 IonicContact OE1-NZ 2.72Å; E18-K82 PolarHBondContact OE1-NZ 3.43Å; M73-K82 CarbonylContact C-O 3.58Å; M73-K82 WeakPolarHBondContact CA-O 3.27Å; D74-K82 HydrophobicContact CB-CB 4.15Å; D74-K82 PolarHBondContact N-O 3.12Å; D74-K82 PolarHBondContact O-N 2.71Å; D76-K82 VanDerWaalsContact CG-NZ 3.28Å; D76-K82 IonicContact OD1-NZ 2.77Å; D76-K82 PolarHBondContact OD1-NZ 2.86Å; D76-K82 WeakPolarHBondContact OD2-CE 3.42Å; D76-K82 IonicContact OD2-NZ 3.49Å; D76-K82 PolarHBondContact OD2-NZ 3.33Å; P80-K82 PolarHBondContact O-N 2.89Å |
| 83 | F | 91.7 | Very high | 86 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127.5 | -178.5 | 174.4 | -90.6 | 0 | 0 | 0 | 112.4 | M73 G85 Q86 K110 | M73-F83 HydrophobicContact CE-CB 4.39Å; M73-F83 HydrophobicContact SD-CB 4.16Å; M73-F83 HydrophobicContact SD-CD2 3.94Å; F83-G85 WeakPolarHBondContact CE2-O 3.37Å; F83-G85 VanDerWaalsContact CZ-CA 3.44Å; F83-Q86 HydrophobicContact CE2-CB 3.95Å; F83-Q86 HydrophobicContact CE2-CG 4.36Å; F83-Q86 HydrophobicContact CZ-CB 3.93Å; F83-Q86 HydrophobicContact CZ-CG 3.97Å; F83-K110 HydrophobicContact CD1-CD 4.25Å; F83-K110 HydrophobicContact CD1-CG 3.6Å; F83-K110 HydrophobicContact CE1-CG 3.6Å; F83-K110 HydrophobicContact CG-CG 4.3Å; F83-K110 HydrophobicContact CZ-CG 4.29Å |
| 84 | M | 87.3 | Confident | 85.4 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -38.8 | 178.9 | -52.2 | -177.8 | 88 | 0 | 0 | 113 | L14 K15 I17 S23 P25 V72 D74 | L14-M84 HydrophobicContact CB-CE 3.91Å; L14-M84 HydrophobicContact CD1-CE 4.37Å; L14-M84 HydrophobicContact CD1-SD 4.37Å; K15-M84 WeakPolarHBondContact O-CE 3.43Å; I17-M84 HydrophobicContact CD1-CG 3.88Å; S23-M84 VanDerWaalsContact CB-CE 3.44Å; S23-M84 WeakPolarHBondContact OG-CE 3.34Å; P25-M84 HydrophobicContact CB-SD 3.87Å; V72-M84 HydrophobicContact CB-CB 4.36Å; V72-M84 HydrophobicContact CG1-CB 4.28Å; V72-M84 HydrophobicContact CG1-SD 4.06Å; V72-M84 WeakPolarHBondContact O-CB 3.47Å; V72-M84 PolarHBondContact O-N 3.49Å; D74-M84 HydrophobicContact CB-CG 3.98Å; D74-M84 HydrophobicContact CB-SD 3.89Å |
| 85 | G | 91 | Very high | 84.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | 169.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K71 V72 F83 Q108 | K71-G85 CarbonylContact C-O 3.5Å; K71-G85 WeakPolarHBondContact CA-O 3.27Å; V72-G85 PolarHBondContact N-O 3.05Å; V72-G85 PolarHBondContact O-N 3.07Å; F83-G85 WeakPolarHBondContact CE2-O 3.37Å; F83-G85 VanDerWaalsContact CZ-CA 3.44Å; G85-Q108 CarbonylContact C-O 3.5Å; G85-Q108 VanDerWaalsContact CA-O 3.31Å; G85-Q108 WeakPolarHBondContact CA-O 3.23Å |
| 86 | Q | 95.4 | Very high | 83.5 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 23% | 0.229 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.1 | 175.9 | 70.2 | -174.6 | 3 | 0 | 0 | 113.3 | L69 I70 K71 F83 Q108 | L69-Q86 HydrophobicContact CD1-CB 4.37Å; I70-Q86 CarbonylContact O-C 3.45Å; I70-Q86 WeakPolarHBondContact O-CA 3.42Å; I70-Q86 WeakPolarHBondContact O-CB 3.45Å; K71-Q86 VanDerWaalsContact CE-OE1 3.27Å; K71-Q86 HydrophobicContact CG-CB 3.82Å; F83-Q86 HydrophobicContact CE2-CB 3.95Å; F83-Q86 HydrophobicContact CE2-CG 4.36Å; F83-Q86 HydrophobicContact CZ-CB 3.93Å; F83-Q86 HydrophobicContact CZ-CG 3.97Å; Q86-Q108 PolarHBondContact N-O 3.32Å; Q86-Q108 WeakPolarHBondContact O-CB 3.45Å; Q86-Q108 PolarHBondContact O-N 3.3Å |
| 87 | A | 92.3 | Very high | 82.6 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I70 I89 V105 L107 | I70-A87 PolarHBondContact N-O 3Å; I70-A87 PolarHBondContact O-N 3.26Å; A87-I89 HydrophobicContact CB-CG1 4.49Å; A87-V105 HydrophobicContact CB-CB 4.32Å; A87-V105 HydrophobicContact CB-CG2 3.61Å; A87-L107 HydrophobicContact CB-CD2 4.26Å |
| 88 | L | 92.4 | Very high | 82 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 56% | 0.56 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.7 | 171.9 | -171.8 | 70.1 | 0 | 0 | 0 | 108.3 | N67 L69 | N67-L88 HydrophobicContact CB-CD1 3.71Å; N67-L88 HydrophobicContact CB-CD2 4.37Å; N67-L88 HydrophobicContact CB-CG 3.91Å; L69-L88 HydrophobicContact CB-CD1 3.94Å; L69-L88 HydrophobicContact CD1-CB 4.43Å; L69-L88 HydrophobicContact CD1-CD1 4.21Å |
| 89 | I | 90.3 | Very high | 82.1 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.3 | -169.3 | -58.2 | 178.1 | 0 | 0 | 0 | 109.7 | N67 V68 I70 A87 I103 V105 L121 L123 | N67-I89 CarbonylContact C-O 3.46Å; N67-I89 WeakPolarHBondContact CA-O 3.43Å; V68-I89 HydrophobicContact CG1-CB 3.86Å; V68-I89 HydrophobicContact CG1-CG2 4.36Å; V68-I89 PolarHBondContact N-O 2.9Å; V68-I89 PolarHBondContact O-N 2.67Å; I70-I89 HydrophobicContact CG1-CD1 3.63Å; I70-I89 HydrophobicContact CG1-CG1 4.38Å; A87-I89 HydrophobicContact CB-CG1 4.49Å; I89-I103 HydrophobicContact CD1-CG2 4.19Å; I89-I103 HydrophobicContact CG2-CD1 3.55Å; I89-I103 HydrophobicContact CG2-CG2 4.17Å; I89-V105 HydrophobicContact CD1-CG2 3.91Å; I89-V105 HydrophobicContact CG1-CG2 4.23Å; I89-L121 HydrophobicContact CD1-CD1 4.18Å; I89-L121 HydrophobicContact CD1-CD2 3.73Å; I89-L121 HydrophobicContact CD1-CG 4.37Å; I89-L123 HydrophobicContact CG2-CD1 4.19Å |
| 90 | P | 86.3 | Confident | 82.3 | Confident | 74 Ų | 74 | 57.2 Ų | 57.2 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 135 | 174.9 | -21.1 | 32.9 | 0 | 0 | 0 | 112.6 | N67 | N67-P90 VanDerWaalsContact OD1-CA 3.23Å; N67-P90 WeakPolarHBondContact OD1-CA 3.22Å; N67-P90 WeakPolarHBondContact OD1-CG 3.34Å |
| 91 | L | 86 | Confident | 82.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -91.4 | -2.4 | -178.5 | -59.6 | -176.5 | 0 | 0 | 0 | 113.9 | L4 F31 L62 D66 V68 S93 V94 L95 L123 | L4-L91 HydrophobicContact CD2-CD1 3.69Å; L4-L91 HydrophobicContact CD2-CD2 4.27Å; F31-L91 HydrophobicContact CD2-CD1 3.96Å; F31-L91 HydrophobicContact CE2-CD1 3.52Å; F31-L91 HydrophobicContact CZ-CD1 4.39Å; L62-L91 HydrophobicContact CD1-CD1 4.14Å; L62-L91 HydrophobicContact CD2-CD1 3.67Å; D66-L91 HydrophobicContact CB-CB 4.38Å; D66-L91 HydrophobicContact CB-CD1 4.05Å; D66-L91 WeakPolarHBondContact O-CB 3.4Å; D66-L91 WeakPolarHBondContact O-CG 3.5Å; D66-L91 PolarHBondContact O-N 3.3Å; V68-L91 HydrophobicContact CB-CD2 4.26Å; V68-L91 HydrophobicContact CG1-CD2 3.79Å; L91-S93 PolarHBondContact O-N 3.38Å; L91-S93 VanDerWaalsContact O-N 3.13Å; L91-V94 HydrophobicContact CD2-CG2 4.27Å; L91-V94 WeakPolarHBondContact O-CB 3.41Å; L91-V94 PolarHBondContact O-N 2.89Å; L91-L95 PolarHBondContact O-N 3.37Å; L91-L123 HydrophobicContact CD2-CD1 3.44Å; L91-L123 VanDerWaalsContact CD2-CD1 3.44Å | ||
| 92 | Q | 80.1 | Confident | 82.5 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -46.2 | -43 | 176.7 | -168.9 | -167.2 | 48.5 | 0 | 0 | 112.9 | A64 V94 L95 D155 | A64-Q92 HydrophobicContact CB-CG 4.28Å; A64-Q92 WeakPolarHBondContact O-CB 3.3Å; Q92-V94 VanDerWaalsContact C-N 3.3Å; Q92-V94 PolarHBondContact O-N 2.84Å; Q92-L95 PolarHBondContact O-N 3.46Å; Q92-D155 VanDerWaalsContact CD-OD2 3.31Å; Q92-D155 WeakPolarHBondContact CG-OD2 3.43Å; Q92-D155 PolarHBondContact NE2-OD2 2.89Å |
| 93 | S | 75.1 | Confident | 82.5 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66 | -28.9 | -179.6 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | L91 | L91-S93 PolarHBondContact O-N 3.38Å; L91-S93 VanDerWaalsContact O-N 3.13Å |
| 94 | V | 81 | Confident | 82.5 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.7 | -29.6 | -176.5 | -163.5 | 0 | 0 | 0 | 0 | 111.8 | L91 Q92 S96 A97 L123 | L91-V94 HydrophobicContact CD2-CG2 4.27Å; L91-V94 WeakPolarHBondContact O-CB 3.41Å; L91-V94 PolarHBondContact O-N 2.89Å; Q92-V94 VanDerWaalsContact C-N 3.3Å; Q92-V94 PolarHBondContact O-N 2.84Å; V94-S96 PolarHBondContact O-N 2.9Å; V94-A97 PolarHBondContact O-N 2.87Å; V94-A97 VanDerWaalsContact O-N 3.08Å; V94-L123 HydrophobicContact CG1-CB 4.17Å; V94-L123 HydrophobicContact CG2-CB 3.65Å; V94-L123 HydrophobicContact CG2-CD1 3.72Å; V94-L123 HydrophobicContact CG2-CG 4.35Å |
| 95 | L | 74.3 | Confident | 82.6 | Confident | 63 Ų | 63 | 56 Ų | 56 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.1 | -33.8 | -178.8 | -73.1 | 177.4 | 0 | 0 | 0 | 114.3 | L62 A64 L91 Q92 Y125 | L62-L95 HydrophobicContact CB-CD2 3.53Å; L62-L95 WeakPolarHBondContact O-CD2 3.31Å; A64-L95 VanDerWaalsContact CA-CD1 3.46Å; A64-L95 HydrophobicContact CB-CD1 3.76Å; L91-L95 PolarHBondContact O-N 3.37Å; Q92-L95 PolarHBondContact O-N 3.46Å; L95-Y125 HydrophobicContact CD2-CE1 4.21Å |
| 96 | S | 68.5 | Low | 82.6 | Confident | 111 Ų | 111 | 58.8 Ų | 58.8 | 78% | 0.776 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.1 | -179.3 | 70.2 | 0 | 0 | 0 | 0 | 113.9 | V94 | V94-S96 PolarHBondContact O-N 2.9Š|
| 97 | A | 65 | Low | 82.4 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 22% | 0.223 | 34% | 0.34 | C | S | . | . | trans | -93.2 | 121.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V94 V99 V101 | V94-A97 PolarHBondContact O-N 2.87Å; V94-A97 VanDerWaalsContact O-N 3.08Å; A97-V99 VanDerWaalsContact C-N 3.29Å; A97-V101 HydrophobicContact CB-CG2 3.33Å | ||
| 98 | T | 63.8 | Low | 82.3 | Confident | 124 Ų | 124 | 59.2 Ų | 59.2 | 76% | 0.761 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -85.2 | -2.8 | 171.2 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 99 | V | 75.4 | Confident | 81.8 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 62% | 0.618 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -131.3 | 158.9 | -176.1 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | A97 V101 | A97-V99 VanDerWaalsContact C-N 3.29Å; V99-V101 PolarHBondContact O-N 3.45Å |
| 100 | E | 78.9 | Confident | 81.2 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | trans | -52.2 | 128.5 | 170.2 | -90.2 | 177.6 | -132.3 | 0 | 0 | 112.5 | K9 P102 S122 L123 R124 | K9-E100 IonicContact NZ-OE2 2.83Å; E100-P102 WeakPolarHBondContact O-CD 3.47Å; E100-S122 VanDerWaalsContact OE2-CB 3.29Å; E100-S122 WeakPolarHBondContact OE2-CB 3.42Å; E100-S122 PolarHBondContact OE2-OG 2.87Å; E100-L123 CarbonylContact C-O 3.6Å; E100-L123 WeakPolarHBondContact CA-O 3.44Å; E100-R124 HydrophobicContact CG-CB 3.73Å | ||
| 101 | V | 83.7 | Confident | 80.5 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 17% | 0.17 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.9 | 173 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | A97 V99 I103 S122 L123 | A97-V101 HydrophobicContact CB-CG2 3.33Å; V99-V101 PolarHBondContact O-N 3.45Å; V101-I103 HydrophobicContact CG1-CG1 4.19Å; V101-S122 CarbonylContact O-C 3.22Å; V101-S122 VanDerWaalsContact O-CA 3.23Å; V101-S122 WeakPolarHBondContact O-CA 3.43Å; V101-L123 PolarHBondContact N-O 2.84Å; V101-L123 PolarHBondContact O-N 3.48Å |
| 102 | P | 87.4 | Confident | 79.9 | Confident | 104 Ų | 104 | 70.3 Ų | 70.3 | 68% | 0.675 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 137.2 | 172.6 | 30.9 | -33.6 | 0 | 0 | 0 | 110.5 | E100 | E100-P102 WeakPolarHBondContact O-CD 3.47Å |
| 103 | I | 86.7 | Confident | 79.3 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 12% | 0.123 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.1 | -179.1 | -61.6 | -174.7 | 0 | 0 | 0 | 108.3 | I89 V101 V105 E120 L121 L123 | I89-I103 HydrophobicContact CD1-CG2 4.19Å; I89-I103 HydrophobicContact CG2-CD1 3.55Å; I89-I103 HydrophobicContact CG2-CG2 4.17Å; V101-I103 HydrophobicContact CG1-CG1 4.19Å; I103-V105 HydrophobicContact CG2-CG1 3.73Å; I103-E120 WeakPolarHBondContact O-CA 3.46Å; I103-L121 HydrophobicContact CB-CD1 3.94Å; I103-L121 HydrophobicContact CB-CG 4.41Å; I103-L121 HydrophobicContact CD1-CD1 4.48Å; I103-L121 HydrophobicContact CG2-CD1 4.45Å; I103-L121 PolarHBondContact N-O 3.34Å; I103-L121 PolarHBondContact O-N 2.93Å; I103-L121 VanDerWaalsContact O-O 3.09Å; I103-L123 HydrophobicContact CD1-CD1 3.46Å; I103-L123 VanDerWaalsContact CD1-CD1 3.46Å; I103-L123 HydrophobicContact CD1-CG 3.87Å |
| 104 | C | 90.7 | Very high | 79.5 | Confident | 80 Ų | 80 | 72.9 Ų | 72.9 | 54% | 0.541 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119 | 170.1 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | I119 E120 | C104-I119 WeakPolarHBondContact CA-O 3.27Å; C104-E120 HydrophobicContact CB-CG 3.9Å; C104-E120 VanDerWaalsContact SG-CG 3.58Å |
| 105 | V | 89.9 | Confident | 79.3 | Confident | 39 Ų | 39 | 74.7 Ų | 74.7 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.2 | -177.2 | -71.6 | 0 | 0 | 0 | 0 | 111.1 | A87 I89 I103 T118 I119 | A87-V105 HydrophobicContact CB-CB 4.32Å; A87-V105 HydrophobicContact CB-CG2 3.61Å; I89-V105 HydrophobicContact CD1-CG2 3.91Å; I89-V105 HydrophobicContact CG1-CG2 4.23Å; I103-V105 HydrophobicContact CG2-CG1 3.73Å; V105-T118 CarbonylContact O-C 3.57Å; V105-T118 WeakPolarHBondContact O-CA 3.43Å; V105-I119 HydrophobicContact CG2-CG2 3.64Å; V105-I119 PolarHBondContact N-O 3.42Å; V105-I119 PolarHBondContact O-N 2.84Å |
| 106 | V | 91 | Very high | 79.3 | Confident | 58 Ų | 58 | 79.5 Ų | 79.5 | 35% | 0.352 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 134.9 | 171.9 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | D114 T115 T118 | V106-D114 HydrophobicContact CG1-CB 3.79Å; V106-T115 WeakPolarHBondContact CG1-O 3.48Å; V106-T118 HydrophobicContact CG2-CG2 4.14Å |
| 107 | L | 92.2 | Very high | 80.1 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 140.4 | 175.1 | -67 | 171.9 | 0 | 0 | 0 | 110 | L14 V72 A87 T115 S117 I119 | L14-L107 HydrophobicContact CD2-CD1 3.79Å; V72-L107 HydrophobicContact CB-CD1 4.17Å; V72-L107 HydrophobicContact CG2-CD1 3.59Å; V72-L107 HydrophobicContact CG2-CD2 3.94Å; V72-L107 HydrophobicContact CG2-CG 4.44Å; A87-L107 HydrophobicContact CB-CD2 4.26Å; L107-T115 VanDerWaalsContact O-CB 3.28Å; L107-T115 WeakPolarHBondContact O-CB 3.08Å; L107-T115 WeakPolarHBondContact O-CG2 3.26Å; L107-T115 PolarHBondContact O-N 3.37Å; L107-T115 PolarHBondContact O-OG1 2.87Å; L107-S117 PolarHBondContact N-O 3.38Å; L107-I119 HydrophobicContact CD2-CB 4.18Å; L107-I119 HydrophobicContact CD2-CG2 3.6Å; L107-I119 HydrophobicContact CG-CB 4.37Å; L107-I119 HydrophobicContact CG-CG2 4.13Å |
| 108 | Q | 88.8 | Confident | 81.3 | Confident | 64 Ų | 64 | 75 Ų | 75 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 149 | 176.1 | -67.3 | -177.5 | -16.4 | 0 | 0 | 112.3 | G85 Q86 G112 Q113 D114 | G85-Q108 CarbonylContact C-O 3.5Å; G85-Q108 VanDerWaalsContact CA-O 3.31Å; G85-Q108 WeakPolarHBondContact CA-O 3.23Å; Q86-Q108 PolarHBondContact N-O 3.32Å; Q86-Q108 WeakPolarHBondContact O-CB 3.45Å; Q86-Q108 PolarHBondContact O-N 3.3Å; Q108-G112 PolarHBondContact NE2-O 3.37Å; Q108-Q113 CarbonylContact C-O 3.09Å; Q108-Q113 VanDerWaalsContact CA-O 3.23Å; Q108-Q113 WeakPolarHBondContact CA-O 3.27Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.45Å; Q108-D114 PolarHBondContact NE2-OD1 2.89Å |
| 109 | N | 83.2 | Confident | 82.7 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | trans | -77 | 178.1 | 172.5 | 75.5 | 23.6 | 0 | 0 | 0 | 111.9 | K111 G112 Q113 T115 | N109-K111 PolarHBondContact O-N 3.46Å; N109-K111 WeakPolarHBondContact OD1-CA 3.37Å; N109-K111 WeakPolarHBondContact OD1-CB 3.45Å; N109-K111 PolarHBondContact OD1-N 3.24Å; N109-G112 PolarHBondContact O-N 2.86Å; N109-G112 PolarHBondContact OD1-N 3.49Å; N109-Q113 PolarHBondContact N-O 3.44Å; N109-Q113 PolarHBondContact ND2-OE1 2.84Å; N109-Q113 VanDerWaalsContact ND2-OE1 3.08Å; N109-Q113 PolarHBondContact OD1-N 2.83Å; N109-T115 HydrophobicContact CB-CG2 4.21Å | ||
| 110 | K | 76.6 | Confident | 83.5 | Confident | 167 Ų | 167 | 67 Ų | 67 | 73% | 0.726 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -11.7 | -179.5 | -66.6 | -172.2 | 178.8 | 179.8 | 0 | 115.2 | F83 | F83-K110 HydrophobicContact CD1-CD 4.25Å; F83-K110 HydrophobicContact CD1-CG 3.6Å; F83-K110 HydrophobicContact CE1-CG 3.6Å; F83-K110 HydrophobicContact CG-CG 4.3Å; F83-K110 HydrophobicContact CZ-CG 4.29Å |
| 111 | K | 72.3 | Confident | 84.2 | Confident | 165 Ų | 165 | 63.5 Ų | 63.5 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 7.2 | 175.5 | -62 | -171.6 | 178.2 | -178.5 | 0 | 113.1 | N109 | N109-K111 PolarHBondContact O-N 3.46Å; N109-K111 WeakPolarHBondContact OD1-CA 3.37Å; N109-K111 WeakPolarHBondContact OD1-CB 3.45Å; N109-K111 PolarHBondContact OD1-N 3.24Å |
| 112 | G | 72.3 | Confident | 84.5 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 78.3 | 16.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q108 N109 | Q108-G112 PolarHBondContact NE2-O 3.37Å; N109-G112 PolarHBondContact O-N 2.86Å; N109-G112 PolarHBondContact OD1-N 3.49Å |
| 113 | Q | 67.9 | Low | 84.8 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | trans | -94.5 | 133.1 | 175.9 | -56.7 | 171.4 | -52.6 | 0 | 0 | 110.6 | Q108 N109 | Q108-Q113 CarbonylContact C-O 3.09Å; Q108-Q113 VanDerWaalsContact CA-O 3.23Å; Q108-Q113 WeakPolarHBondContact CA-O 3.27Å; N109-Q113 PolarHBondContact N-O 3.44Å; N109-Q113 PolarHBondContact ND2-OE1 2.84Å; N109-Q113 VanDerWaalsContact ND2-OE1 3.08Å; N109-Q113 PolarHBondContact OD1-N 2.83Å | ||
| 114 | D | 79.2 | Confident | 84.7 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 142.1 | 174.6 | -68.4 | -0.4 | 0 | 0 | 0 | 112.2 | V106 Q108 | V106-D114 HydrophobicContact CG1-CB 3.79Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.45Å; Q108-D114 PolarHBondContact NE2-OD1 2.89Å |
| 115 | T | 77.7 | Confident | 84.6 | Confident | 39 Ų | 39 | 59 Ų | 59 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 176.9 | 177.4 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | V106 L107 N109 S117 | V106-T115 WeakPolarHBondContact CG1-O 3.48Å; L107-T115 VanDerWaalsContact O-CB 3.28Å; L107-T115 WeakPolarHBondContact O-CB 3.08Å; L107-T115 WeakPolarHBondContact O-CG2 3.26Å; L107-T115 PolarHBondContact O-N 3.37Å; L107-T115 PolarHBondContact O-OG1 2.87Å; N109-T115 HydrophobicContact CB-CG2 4.21Å; T115-S117 PolarHBondContact O-N 2.88Å; T115-S117 WeakPolarHBondContact OG1-CB 3.4Å; T115-S117 PolarHBondContact OG1-N 3.49Å |
| 116 | M | 73.6 | Confident | 84.1 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 80% | 0.803 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 1.4 | 170.6 | -66.2 | -62.8 | -67.4 | 0 | 0 | 113.3 | N13 | N13-M116 WeakPolarHBondContact CB-O 3.2Å |
| 117 | S | 86.5 | Confident | 83 | Confident | 8 Ų | 8 | 64 Ų | 64 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.1 | -177.5 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | N12 N13 L107 T115 | N12-S117 WeakPolarHBondContact O-CA 3.34Å; N13-S117 WeakPolarHBondContact O-CB 3.3Å; N13-S117 PolarHBondContact O-OG 2.91Å; L107-S117 PolarHBondContact N-O 3.38Å; T115-S117 PolarHBondContact O-N 2.88Å; T115-S117 WeakPolarHBondContact OG1-CB 3.4Å; T115-S117 PolarHBondContact OG1-N 3.49Å |
| 118 | T | 89.3 | Confident | 81.6 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 22% | 0.221 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 153.8 | 175.5 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | A11 N12 V105 V106 | A11-T118 CarbonylContact C-O 3.52Å; A11-T118 WeakPolarHBondContact CA-O 3.49Å; A11-T118 WeakPolarHBondContact CB-O 3.26Å; N12-T118 PolarHBondContact N-O 3.44Å; N12-T118 PolarHBondContact ND2-OG1 2.98Å; N12-T118 VanDerWaalsContact ND2-OG1 3.07Å; N12-T118 PolarHBondContact O-N 3Å; V105-T118 CarbonylContact O-C 3.57Å; V105-T118 WeakPolarHBondContact O-CA 3.43Å; V106-T118 HydrophobicContact CG2-CG2 4.14Å |
| 119 | I | 93.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.4 | 171.3 | -171.5 | 157.7 | 0 | 0 | 0 | 110.4 | V8 A11 V27 W49 I70 V72 C104 V105 L107 | V8-I119 HydrophobicContact CG1-CD1 4.32Å; A11-I119 HydrophobicContact CB-CB 4.48Å; A11-I119 HydrophobicContact CB-CG1 4.5Å; V27-I119 HydrophobicContact CG1-CD1 4.04Å; V27-I119 HydrophobicContact CG2-CD1 3.84Å; W49-I119 HydrophobicContact CZ3-CD1 4.41Å; I70-I119 HydrophobicContact CG2-CD1 3.81Å; V72-I119 HydrophobicContact CG2-CD1 3.79Å; C104-I119 WeakPolarHBondContact CA-O 3.27Å; V105-I119 HydrophobicContact CG2-CG2 3.64Å; V105-I119 PolarHBondContact N-O 3.42Å; V105-I119 PolarHBondContact O-N 2.84Å; L107-I119 HydrophobicContact CD2-CB 4.18Å; L107-I119 HydrophobicContact CD2-CG2 3.6Å; L107-I119 HydrophobicContact CG-CB 4.37Å; L107-I119 HydrophobicContact CG-CG2 4.13Å |
| 120 | E | 92.3 | Very high | 77.4 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.4 | 176.7 | -73.5 | 172.2 | -130.5 | 0 | 0 | 109.8 | K9 K10 N12 I103 C104 | K9-E120 WeakPolarHBondContact CA-O 3.38Å; K9-E120 HydrophobicContact CB-CB 4.48Å; K9-E120 WeakPolarHBondContact CB-O 3.36Å; K9-E120 PolarHBondContact N-O 3.32Å; K10-E120 VanDerWaalsContact CE-CD 3.42Å; K10-E120 VanDerWaalsContact CE-OE1 3.25Å; K10-E120 WeakPolarHBondContact CE-OE1 3.2Å; K10-E120 WeakPolarHBondContact CE-OE2 3.48Å; K10-E120 HydrophobicContact CG-CB 4.08Å; K10-E120 PolarHBondContact N-O 3.2Å; K10-E120 VanDerWaalsContact N-O 3.15Å; K10-E120 IonicContact NZ-OE1 3.95Å; K10-E120 PolarHBondContact NZ-OE1 2.87Å; K10-E120 IonicContact NZ-OE2 3.79Å; K10-E120 PolarHBondContact NZ-OE2 2.78Å; K10-E120 PolarHBondContact O-N 3.44Å; N12-E120 PolarHBondContact ND2-OE1 2.87Å; N12-E120 VanDerWaalsContact ND2-OE1 3.16Å; I103-E120 WeakPolarHBondContact O-CA 3.46Å; C104-E120 HydrophobicContact CB-CG 3.9Å; C104-E120 VanDerWaalsContact SG-CG 3.58Å |
| 121 | L | 93.9 | Very high | 75.3 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 167.9 | 178.2 | 57.1 | 91.1 | 0 | 0 | 0 | 110.5 | N7 I70 I89 I103 L123 | N7-L121 CarbonylContact O-C 3.58Å; N7-L121 WeakPolarHBondContact O-CA 3.41Å; N7-L121 WeakPolarHBondContact O-CB 3.46Å; I70-L121 HydrophobicContact CD1-CD2 4.07Å; I70-L121 HydrophobicContact CG1-CD2 3.88Å; I70-L121 HydrophobicContact CG2-CD2 4.48Å; I89-L121 HydrophobicContact CD1-CD1 4.18Å; I89-L121 HydrophobicContact CD1-CD2 3.73Å; I89-L121 HydrophobicContact CD1-CG 4.37Å; I103-L121 HydrophobicContact CB-CD1 3.94Å; I103-L121 HydrophobicContact CB-CG 4.41Å; I103-L121 HydrophobicContact CD1-CD1 4.48Å; I103-L121 HydrophobicContact CG2-CD1 4.45Å; I103-L121 PolarHBondContact N-O 3.34Å; I103-L121 PolarHBondContact O-N 2.93Å; I103-L121 VanDerWaalsContact O-O 3.09Å; L121-L123 HydrophobicContact CD1-CD1 4.47Å; L121-L123 HydrophobicContact CD1-CD2 3.71Å; L121-L123 HydrophobicContact CD1-CG 3.8Å |
| 122 | S | 90.4 | Very high | 73.1 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.007 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.8 | 166 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | N7 K9 E100 V101 | N7-S122 PolarHBondContact N-O 2.84Å; N7-S122 PolarHBondContact O-N 3.41Å; K9-S122 WeakPolarHBondContact CE-OG 3.39Å; K9-S122 PolarHBondContact NZ-OG 3.13Å; E100-S122 VanDerWaalsContact OE2-CB 3.29Å; E100-S122 WeakPolarHBondContact OE2-CB 3.42Å; E100-S122 PolarHBondContact OE2-OG 2.87Å; V101-S122 CarbonylContact O-C 3.22Å; V101-S122 VanDerWaalsContact O-CA 3.23Å; V101-S122 WeakPolarHBondContact O-CA 3.43Å |
| 123 | L | 91.8 | Very high | 70.9 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.7 | -179.5 | -60.1 | -174 | 0 | 0 | 0 | 110.6 | H5 V6 V68 I89 L91 V94 E100 V101 I103 L121 | H5-L123 WeakPolarHBondContact O-CA 3.39Å; V6-L123 HydrophobicContact CB-CD2 4.04Å; V6-L123 HydrophobicContact CG1-CD2 3.77Å; V6-L123 HydrophobicContact CG2-CD2 3.77Å; V68-L123 HydrophobicContact CG1-CD1 4.41Å; I89-L123 HydrophobicContact CG2-CD1 4.19Å; L91-L123 HydrophobicContact CD2-CD1 3.44Å; L91-L123 VanDerWaalsContact CD2-CD1 3.44Å; V94-L123 HydrophobicContact CG1-CB 4.17Å; V94-L123 HydrophobicContact CG2-CB 3.65Å; V94-L123 HydrophobicContact CG2-CD1 3.72Å; V94-L123 HydrophobicContact CG2-CG 4.35Å; E100-L123 CarbonylContact C-O 3.6Å; E100-L123 WeakPolarHBondContact CA-O 3.44Å; V101-L123 PolarHBondContact N-O 2.84Å; V101-L123 PolarHBondContact O-N 3.48Å; I103-L123 HydrophobicContact CD1-CD1 3.46Å; I103-L123 VanDerWaalsContact CD1-CD1 3.46Å; I103-L123 HydrophobicContact CD1-CG 3.87Å; L121-L123 HydrophobicContact CD1-CD1 4.47Å; L121-L123 HydrophobicContact CD1-CD2 3.71Å; L121-L123 HydrophobicContact CD1-CG 3.8Å |
| 124 | R | 86.3 | Confident | 68.8 | Low | 113 Ų | 113 | 81.3 Ų | 81.3 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139.1 | 172.5 | 173.9 | 179.3 | 176.9 | -156.7 | -4.7 | 110.2 | H5 E100 | H5-R124 HydrophobicContact CB-CB 4.16Å; H5-R124 WeakPolarHBondContact CB-O 3.44Å; H5-R124 PolarHBondContact N-O 3.2Å; H5-R124 PolarHBondContact O-N 3.42Å; E100-R124 HydrophobicContact CG-CB 3.73Å |
| 125 | Y | 86.9 | Confident | 66.2 | Low | 27 Ų | 27 | 81.5 Ų | 81.5 | 11% | 0.106 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.4 | 179.7 | 178.7 | -138.8 | 0 | 0 | 0 | 110.3 | Y2 A3 L57 P61 L62 L95 | Y2-Y125 AromaticContact CD1-CE2 3.98Å; Y2-Y125 HydrophobicContact CD1-CE2 3.98Å; Y2-Y125 AromaticContact CD1-CZ 3.75Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.47Å; Y2-Y125 WeakPolarHBondContact CE1-OH 3.42Å; A3-Y125 WeakPolarHBondContact O-CD2 3.36Å; L57-Y125 HydrophobicContact CD1-CD2 4.35Å; L57-Y125 HydrophobicContact CD1-CE2 3.7Å; P61-Y125 WeakPolarHBondContact CA-OH 3.33Å; P61-Y125 WeakPolarHBondContact CB-OH 3.41Å; L62-Y125 HydrophobicContact CB-CE2 4.43Å; L62-Y125 HydrophobicContact CD1-CD1 4.42Å; L62-Y125 HydrophobicContact CD1-CD2 3.73Å; L62-Y125 HydrophobicContact CD1-CE2 3.99Å; L62-Y125 HydrophobicContact CD1-CG 3.97Å; L62-Y125 HydrophobicContact CG-CD2 4.23Å; L62-Y125 HydrophobicContact CG-CE2 3.97Å; L62-Y125 PolarHBondContact N-OH 2.86Å; L62-Y125 VanDerWaalsContact N-OH 3.12Å; L95-Y125 HydrophobicContact CD2-CE1 4.21Å |
| 126 | E | 79.8 | Confident | 63.6 | Low | 86 Ų | 86 | 84.3 Ų | 84.3 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.5 | 174.1 | -170.2 | -178.2 | -150.8 | 0 | 0 | 110.4 | Y2 A3 | Y2-E126 WeakPolarHBondContact CA-O 3.43Å; A3-E126 HydrophobicContact CB-CB 4.35Å; A3-E126 PolarHBondContact N-O 2.95Å; A3-E126 VanDerWaalsContact N-O 3.12Å; A3-E126 PolarHBondContact O-N 3.11Å |
| 127 | F | 69.3 | Low | 61.2 | Low | 117 Ų | 117 | 82.8 Ų | 82.8 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | trans | -109 | 147.2 | 175.2 | 48.3 | -92.7 | 0 | 0 | 0 | 111.3 | M1 Y2 Q129 | M1-F127 CarbonylContact O-C 3.49Å; Y2-F127 HydrophobicContact CD1-CB 4.43Å; Y2-F127 HydrophobicContact CE1-CB 4.14Å; F127-Q129 PolarHBondContact O-N 2.76Å | ||
| 128 | P | 61.2 | Low | 58.2 | Low | 54 Ų | 54 | 89.5 Ų | 89.5 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | trans | -60.2 | 120.8 | 179.1 | -18.6 | 27.3 | 0 | 0 | 0 | 112.6 | M1 Y2 T130 | M1-P128 WeakPolarHBondContact O-CD 3.28Å; Y2-P128 VanDerWaalsContact CD1-CD 3.43Å; Y2-P128 HydrophobicContact CD1-CG 4.26Å; Y2-P128 HydrophobicContact CD2-CG 3.84Å; Y2-P128 HydrophobicContact CE1-CG 4.18Å; Y2-P128 HydrophobicContact CE2-CG 3.74Å; Y2-P128 HydrophobicContact CG-CG 4.1Å; P128-T130 PolarHBondContact O-N 2.89Å | ||
| 129 | Q | 49 | Very low | 55.1 | Low | 165 Ų | 165 | 94 Ų | 94 | 77% | 0.771 | 50% | 0.502 | S | S | * | . | trans | -73.3 | 126 | 167 | -65.7 | -168.2 | 5.6 | 0 | 0 | 110.3 | F127 T131 | F127-Q129 PolarHBondContact O-N 2.76Å; Q129-T131 PolarHBondContact O-N 2.85Å; Q129-T131 VanDerWaalsContact O-N 3.11Å; Q129-T131 PolarHBondContact O-OG1 3.27Å | ||
| 130 | T | 35.4 | Very low | 51.8 | Low | 151 Ų | 151 | 101.4 Ų | 101.4 | 93% | 0.926 | 54% | 0.537 | S | S | * | . | trans | -67.5 | 104.6 | -176 | 34.6 | 0 | 0 | 0 | 0 | 112.1 | P128 | P128-T130 PolarHBondContact O-N 2.89Š| ||
| 131 | T | 32.1 | Very low | 48.4 | Very low | 136 Ų | 136 | 107.5 Ų | 107.5 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | trans | -116.7 | 141.7 | 172.8 | -37.3 | 0 | 0 | 0 | 0 | 110.3 | Q129 | Q129-T131 PolarHBondContact O-N 2.85Å; Q129-T131 VanDerWaalsContact O-N 3.11Å; Q129-T131 PolarHBondContact O-OG1 3.27Å | ||
| 132 | K | 26.3 | Very low | 45.2 | Very low | 209 Ų | 209 | 111.4 Ų | 111.4 | 91% | 0.909 | 61% | 0.606 | S | S | * | * | trans | -80.3 | 132.7 | -164.3 | -67.2 | 170.2 | 175.4 | 173.5 | 0 | 114.1 | ||||
| 133 | G | 25.7 | Very low | 41.9 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | trans | 95.4 | 165.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 134 | L | 25.3 | Very low | 38.7 | Very low | 163 Ų | 163 | 124 Ų | 124 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | trans | 74 | 99.3 | 179.9 | -53.3 | 166.6 | 0 | 0 | 0 | 113.5 | ||||
| 135 | T | 23.3 | Very low | 35.7 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 69% | 0.693 | 70% | 0.699 | S | S | * | * | 79.6 | 123.2 | 55 | 68.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 136 | S | 23 | Very low | 32.7 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | 68.4 | 137.3 | 150.9 | 57.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 137 | N | 23.8 | Very low | 30 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 73.7 | 146.6 | 158.8 | -63 | 18.7 | 0 | 0 | 0 | 114.9 | ||||
| 138 | E | 24.5 | Very low | 27.7 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | cis | -159.9 | 139.9 | 5.6 | -117.7 | 153.1 | -141 | 0 | 0 | 109.9 | ||||
| 139 | I | 22.9 | Very low | 25.9 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 67% | 0.672 | 78% | 0.783 | S | S | * | * | 63 | 139.6 | 126.2 | -65 | -177.3 | 0 | 0 | 0 | 123 | |||||
| 140 | E | 23.8 | Very low | 24.6 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | 65.4 | 114.2 | 157.7 | -79 | 149.5 | -152.7 | 0 | 0 | 121 | ||||
| 141 | Q | 22.5 | Very low | 24 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | 75 | 113.5 | 87 | -72.3 | -172.3 | 15.8 | 0 | 0 | 114.9 | |||||
| 142 | G | 25.6 | Very low | 23.5 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | trans | -176.5 | 97.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 143 | S | 21.8 | Very low | 23.3 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -97.4 | 126.4 | 176.4 | 174 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 144 | V | 25 | Very low | 23.2 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | trans | -146.1 | 146.3 | 157.4 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 145 | S | 22.1 | Very low | 23.2 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | -102.1 | 176.9 | -171.9 | 64.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 146 | D | 23.3 | Very low | 23.2 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | trans | 95.6 | 122.9 | 155.5 | -68.9 | 22.8 | 0 | 0 | 0 | 121.2 | ||||
| 147 | K | 23.5 | Very low | 23.3 | Very low | 183 Ų | 183 | 117.8 Ų | 117.8 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | trans | 74.1 | 107.7 | 156.2 | -61.7 | 166.7 | -172.3 | 178.8 | 0 | 116.7 | ||||
| 148 | V | 20.6 | Very low | 23.3 | Very low | 133 Ų | 133 | 119.8 Ų | 119.8 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | 77.3 | 102.6 | 54.3 | -177.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 149 | D | 24.5 | Very low | 23.3 | Very low | 159 Ų | 159 | 125 Ų | 125 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | 161.5 | 164.3 | 148.5 | -87.1 | -17.4 | 0 | 0 | 0 | 110.2 | ||||
| 150 | A | 21.5 | Very low | 23.3 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | -167.6 | 125.1 | -55.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 151 | G | 22.1 | Very low | 23.3 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | 73.4 | 148.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 152 | G | 23.1 | Very low | 23.4 | Very low | 75 Ų | 75 | 115.7 Ų | 115.7 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | cis | 120.2 | 141.2 | 25.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 153 | A | 21.9 | Very low | 23.3 | Very low | 84 Ų | 84 | 114.7 Ų | 114.7 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | cis | -148.6 | 160 | -6.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | S65 | S65-A153 WeakPolarHBondContact CB-O 3.19Å; S65-A153 PolarHBondContact OG-O 2.81Å; S65-A153 VanDerWaalsContact OG-O 3.06Å | ||
| 154 | V | 23.1 | Very low | 23.4 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | trans | -86.8 | 139.3 | -168.4 | 178.7 | 0 | 0 | 0 | 0 | 113.8 | S65 V156 | S65-V154 WeakPolarHBondContact OG-CA 3.44Å; V154-V156 HydrophobicContact CG1-CG2 4.45Å | ||
| 155 | D | 25 | Very low | 23.4 | Very low | 56 Ų | 56 | 113.3 Ų | 113.3 | 30% | 0.299 | 75% | 0.753 | S | S | . | * | trans | -93 | 140.8 | 175.8 | 164.7 | 42.2 | 0 | 0 | 0 | 111.7 | A64 Q92 | A64-D155 HydrophobicContact CB-CB 3.85Å; A64-D155 WeakPolarHBondContact CB-OD2 3.37Å; Q92-D155 VanDerWaalsContact CD-OD2 3.31Å; Q92-D155 WeakPolarHBondContact CG-OD2 3.43Å; Q92-D155 PolarHBondContact NE2-OD2 2.89Å | ||
| 156 | V | 23.6 | Very low | 23.5 | Very low | 138 Ų | 138 | 114.9 Ų | 114.9 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -143.6 | 85.2 | -179.7 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | V154 | V154-V156 HydrophobicContact CG1-CG2 4.45Š| ||
| 157 | G | 25.4 | Very low | 23.6 | Very low | 44 Ų | 44 | 116 Ų | 116 | 45% | 0.454 | 76% | 0.764 | S | S | . | * | trans | -110.7 | 132.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 158 | L | 24.3 | Very low | 23.5 | Very low | 174 Ų | 174 | 114 Ų | 114 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | 111.2 | 104.9 | 64.5 | -103.2 | 162.5 | 0 | 0 | 0 | 110.7 | |||||
| 159 | R | 23.4 | Very low | 23.8 | Very low | 256 Ų | 256 | 114.9 Ų | 114.9 | 97% | 0.966 | 77% | 0.767 | S | S | * | * | trans | -177.7 | 136.9 | 159.7 | -104.3 | 171.6 | -173.4 | -126.1 | 3.1 | 108.1 | ||||
| 160 | G | 24.3 | Very low | 23.6 | Very low | 63 Ų | 63 | 113.5 Ų | 113.5 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | 161.9 | 140.1 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 161 | S | 23.8 | Very low | 23.7 | Very low | 132 Ų | 132 | 116.4 Ų | 116.4 | 92% | 0.923 | 75% | 0.751 | S | S | * | * | trans | 69.1 | 137 | 157.9 | 72.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 162 | G | 23.9 | Very low | 23.9 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | 90.9 | 127.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 163 | G | 24 | Very low | 24 | Very low | 64 Ų | 64 | 122.4 Ų | 122.4 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | cis | 160.2 | 147.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 164 | T | 23.8 | Very low | 24 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 96% | 0.957 | 75% | 0.751 | S | S | * | * | trans | 52.3 | 117.4 | 159.7 | 59.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 165 | G | 25.1 | Very low | 24 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -177.2 | 105.9 | 163 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 166 | T | 24 | Very low | 24.3 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -97.2 | 171.4 | -174.1 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 167 | D | 25.1 | Very low | 24.5 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | 77.6 | 88.9 | 157.1 | -53.2 | -39.5 | 0 | 0 | 0 | 118.5 | ||||
| 168 | V | 21.6 | Very low | 24.4 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -57.1 | 134 | 154.2 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | N | 25.6 | Very low | 24.5 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -145.9 | 157.5 | 150.5 | -149 | -7.7 | 0 | 0 | 0 | 111.8 | ||||
| 170 | E | 22 | Very low | 24.7 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 61% | 0.612 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 166.7 | -159.1 | -49.6 | 178.8 | 104.7 | 0 | 0 | 115.6 | ||||
| 171 | K | 22.3 | Very low | 24.7 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 67% | 0.665 | 80% | 0.795 | S | S | * | * | trans | 58 | 112.1 | 147.5 | -68.7 | 149.7 | -174.3 | 154.5 | 0 | 118.3 | ||||
| 172 | D | 26.9 | Very low | 24.9 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | -178.9 | 137.7 | 98.7 | -96.7 | -22.2 | 0 | 0 | 0 | 114.6 | |||||
| 173 | I | 24.6 | Very low | 25 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | trans | 51.8 | 111.5 | 133.6 | -55.6 | 170.9 | 0 | 0 | 0 | 120.4 | ||||
| 174 | L | 22.4 | Very low | 25.1 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | trans | 31 | 139 | 135.6 | -72.2 | 130.4 | 0 | 0 | 0 | 122.9 | ||||
| 175 | D | 24 | Very low | 25.4 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 52.7 | 102.1 | 149.9 | -66.1 | -17.3 | 0 | 0 | 0 | 119 | ||||
| 176 | D | 29.5 | Very low | 25.5 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | -155.4 | 162.1 | 118.3 | -129.4 | -24 | 0 | 0 | 0 | 115.7 | |||||
| 177 | Q | 27.7 | Very low | 25.5 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -68.7 | 150.4 | -160.2 | -61.7 | 165.2 | 20.7 | 0 | 0 | 118.2 | ||||
| 178 | A | 24.5 | Very low | 25.6 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | 45 | 85 | 136.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 179 | G | 27 | Very low | 25.8 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -126.2 | 92.6 | 165 | 0 | 0 | 0 | 0 | 0 | 112.8 | G181 | G179-G181 PolarHBondContact O-N 2.86Š| ||
| 180 | A | 25.9 | Very low | 26.1 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | -72.3 | 68.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K182 | A180-K182 PolarHBondContact O-N 2.85Š| ||
| 181 | G | 25 | Very low | 26.7 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -88.7 | 89.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G179 | G179-G181 PolarHBondContact O-N 2.86Š| ||
| 182 | K | 27.3 | Very low | 27.5 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | 17.2 | 110.3 | 156.7 | -69.1 | 173.6 | 177.9 | 171.6 | 0 | 116.8 | A180 I184 | A180-K182 PolarHBondContact O-N 2.85Å; K182-I184 PolarHBondContact O-N 2.83Å | ||
| 183 | R | 26.5 | Very low | 28.3 | Very low | 256 Ų | 256 | 141.8 Ų | 141.8 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | trans | -41.8 | 104.6 | 164 | -78.9 | 178.2 | 169.5 | 165.9 | -4 | 111 | K185 | R183-K185 PolarHBondContact O-N 3.12Š| ||
| 184 | I | 26.3 | Very low | 29.7 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -68.2 | 122.9 | 174.8 | -67 | 174.7 | 0 | 0 | 0 | 107.5 | K182 K186 | K182-I184 PolarHBondContact O-N 2.83Å; I184-K186 PolarHBondContact O-N 2.78Å | ||
| 185 | K | 29.7 | Very low | 31.4 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -60.3 | 104.2 | 177.7 | -66 | 178.2 | 176.9 | -177.8 | 0 | 109.2 | R183 L187 | R183-K185 PolarHBondContact O-N 3.12Å; K185-L187 PolarHBondContact O-N 2.78Å; K185-L187 VanDerWaalsContact O-N 3.16Å | ||
| 186 | K | 27.5 | Very low | 33.5 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -64.8 | 114.3 | 166.4 | -96.1 | -173 | 172.1 | -177.7 | 0 | 108.4 | I184 | I184-K186 PolarHBondContact O-N 2.78Š| ||
| 187 | L | 25.2 | Very low | 35.5 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | trans | -69.1 | 146.9 | 164.7 | -91.6 | 70.4 | 0 | 0 | 0 | 109.4 | K185 | K185-L187 PolarHBondContact O-N 2.78Å; K185-L187 VanDerWaalsContact O-N 3.16Å | ||
| 188 | G | 26.3 | Very low | 37.6 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | 143.8 | 107.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L190 | G188-L190 PolarHBondContact O-N 2.87Š| ||
| 189 | G | 26.8 | Very low | 39.8 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112 | A191 | G189-A191 PolarHBondContact O-N 2.81Š|
| 190 | L | 30.9 | Very low | 42 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 84% | 0.838 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 117.6 | 170.1 | -76.4 | 105.2 | 0 | 0 | 0 | 109.2 | G188 V192 | G188-L190 PolarHBondContact O-N 2.87Å; L190-V192 PolarHBondContact O-N 2.93Å |
| 191 | A | 35.4 | Very low | 44.1 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56 | 127.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | G189 R193 | G189-A191 PolarHBondContact O-N 2.81Å; A191-R193 PolarHBondContact O-N 2.82Å |
| 192 | V | 38.3 | Very low | 46.2 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 79% | 0.788 | 64% | 0.638 | S | S | * | * | trans | -63.5 | 108.1 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 107 | L190 | L190-V192 PolarHBondContact O-N 2.93Š| ||
| 193 | R | 44 | Very low | 48.7 | Very low | 161 Ų | 161 | 113.4 Ų | 113.4 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | trans | -47.6 | 134.7 | 169.2 | -92.6 | -173.9 | 165.8 | -155.2 | -10.7 | 107.1 | A191 Q195 D263 | A191-R193 PolarHBondContact O-N 2.82Å; R193-Q195 PolarHBondContact O-N 2.91Å; R193-Q195 VanDerWaalsContact O-N 3.17Å; R193-D263 IonicContact CZ-OD1 2.78Å; R193-D263 IonicContact NH1-OD1 3.82Å; R193-D263 PolarHBondContact NH1-OD1 2.94Å; R193-D263 IonicContact NH1-OD2 3.76Å; R193-D263 PolarHBondContact NH1-OD2 3.39Å; R193-D263 IonicContact NH2-OD1 3.31Å; R193-D263 PolarHBondContact NH2-OD1 2.91Å | ||
| 194 | P | 53 | Low | 51.3 | Low | 77 Ų | 77 | 101.4 Ų | 101.4 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | trans | -48.4 | 128.5 | 170.2 | -24.8 | 33.6 | 0 | 0 | 0 | 108.6 | Y196 | P194-Y196 HydrophobicContact CB-CE1 4.12Å; P194-Y196 HydrophobicContact CB-CE2 4.16Å; P194-Y196 HydrophobicContact CG-CE2 4.43Å; P194-Y196 PolarHBondContact O-N 3.42Å | ||
| 195 | Q | 58.3 | Low | 54.2 | Low | 194 Ų | 194 | 93.7 Ų | 93.7 | 91% | 0.907 | 51% | 0.514 | S | S | * | . | trans | -74.2 | 81.2 | 174.2 | -79.2 | -174 | -30.2 | 0 | 0 | 107.9 | R193 | R193-Q195 PolarHBondContact O-N 2.91Å; R193-Q195 VanDerWaalsContact O-N 3.17Å | ||
| 196 | Y | 69.2 | Low | 56.9 | Low | 59 Ų | 59 | 86 Ų | 86 | 23% | 0.231 | 48% | 0.48 | C | S | . | . | trans | -54.3 | 144.7 | 171.8 | -70.9 | -56.5 | 0 | 0 | 0 | 110 | P194 T198 L262 E294 | P194-Y196 HydrophobicContact CB-CE1 4.12Å; P194-Y196 HydrophobicContact CB-CE2 4.16Å; P194-Y196 HydrophobicContact CG-CE2 4.43Å; P194-Y196 PolarHBondContact O-N 3.42Å; Y196-T198 PolarHBondContact O-N 3.22Å; Y196-T198 VanDerWaalsContact O-N 3.07Å; Y196-L262 HydrophobicContact CD1-CD1 3.74Å; Y196-L262 HydrophobicContact CD2-CD1 4.27Å; Y196-L262 HydrophobicContact CE1-CD1 3.89Å; Y196-L262 HydrophobicContact CE2-CD1 4.37Å; Y196-L262 HydrophobicContact CG-CD1 3.99Å; Y196-E294 VanDerWaalsContact OH-CD 3.22Å; Y196-E294 VanDerWaalsContact OH-CG 3.25Å; Y196-E294 WeakPolarHBondContact OH-CG 3.49Å; Y196-E294 PolarHBondContact OH-OE1 2.83Å | ||
| 197 | S | 70.1 | Confident | 59.9 | Low | 52 Ų | 52 | 76 Ų | 76 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | trans | -55.3 | 118.6 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | K199 Q201 A258 A259 | S197-K199 PolarHBondContact O-N 2.75Å; S197-K199 WeakPolarHBondContact OG-CB 3.37Å; S197-K199 PolarHBondContact OG-N 2.77Å; S197-Q201 PolarHBondContact OG-NE2 2.99Å; S197-A258 PolarHBondContact O-N 3.4Å; S197-A258 VanDerWaalsContact O-N 3.11Å; S197-A259 PolarHBondContact O-N 2.89Å | ||
| 198 | T | 72.9 | Confident | 63 | Low | 120 Ų | 120 | 68.9 Ų | 68.9 | 74% | 0.736 | 40% | 0.399 | S | S | * | . | trans | -78.2 | -3.1 | 169.3 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | Y196 K200 S257 A259 | Y196-T198 PolarHBondContact O-N 3.22Å; Y196-T198 VanDerWaalsContact O-N 3.07Å; T198-K200 PolarHBondContact O-N 2.79Å; T198-S257 WeakPolarHBondContact O-CB 3.44Å; T198-A259 HydrophobicContact CG2-CB 4.14Å | ||
| 199 | K | 71 | Confident | 66.1 | Low | 68 Ų | 68 | 65.7 Ų | 65.7 | 30% | 0.296 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -73.1 | 125.4 | 168.7 | -166.2 | -148.8 | 161.5 | -170.2 | 0 | 108.8 | S197 Q201 S257 E1872 H1873 | S197-K199 PolarHBondContact O-N 2.75Å; S197-K199 WeakPolarHBondContact OG-CB 3.37Å; S197-K199 PolarHBondContact OG-N 2.77Å; K199-Q201 HydrophobicContact CD-CG 4.3Å; K199-Q201 PolarHBondContact O-NE2 3.3Å; K199-S257 WeakPolarHBondContact O-CA 3.37Å; K199-E1872 WeakPolarHBondContact CE-OE1 3.37Å; K199-E1872 WeakPolarHBondContact CE-OE2 3.3Å; K199-E1872 IonicContact NZ-OE1 3.48Å; K199-E1872 IonicContact NZ-OE2 3.86Å; K199-E1872 PolarHBondContact NZ-OE2 3.3Å; K199-H1873 WeakPolarHBondContact CD-NE2 3.2Å; K199-H1873 WeakPolarHBondContact CE-NE2 3.28Å; K199-H1873 PolarHBondContact NZ-NE2 3.06Å |
| 200 | K | 72.8 | Confident | 69 | Low | 85 Ų | 85 | 62 Ų | 62 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 133.1 | 169.1 | -58.7 | -167.9 | -178.2 | -86.8 | 0 | 110.2 | T198 F255 D256 E260 | T198-K200 PolarHBondContact O-N 2.79Å; K200-F255 HydrophobicContact CB-CD2 4.2Å; K200-F255 HydrophobicContact CB-CE2 3.73Å; K200-F255 HydrophobicContact CB-CZ 4Å; K200-D256 IonicContact NZ-OD1 2.83Å; K200-D256 PolarHBondContact NZ-OD1 3.09Å; K200-D256 IonicContact NZ-OD2 2.68Å; K200-E260 IonicContact NZ-OE2 2.84Å; K200-E260 PolarHBondContact NZ-OE2 2.83Å |
| 201 | Q | 70.2 | Confident | 71.7 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 173.4 | -177.1 | -72.4 | 165 | 112.7 | 0 | 0 | 106.1 | S197 K199 F203 F255 D256 P330 | S197-Q201 PolarHBondContact OG-NE2 2.99Å; K199-Q201 HydrophobicContact CD-CG 4.3Å; K199-Q201 PolarHBondContact O-NE2 3.3Å; Q201-F203 HydrophobicContact CB-CE2 3.98Å; Q201-F203 HydrophobicContact CB-CZ 4.17Å; Q201-F255 WeakPolarHBondContact O-CD2 3.28Å; Q201-D256 CarbonylContact C-O 3.56Å; Q201-D256 PolarHBondContact N-O 2.77Å; Q201-D256 CarbonylContact O-C 3.53Å; Q201-D256 PolarHBondContact O-N 2.89Å; Q201-P330 HydrophobicContact CB-CG 3.95Å; Q201-P330 HydrophobicContact CG-CG 4.14Å |
| 202 | D | 69 | Low | 74.2 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 152.5 | -174.9 | -70.7 | -102.3 | 0 | 0 | 0 | 112.3 | F254 F255 P330 S1572 G1573 L1574 | D202-F254 CarbonylContact C-O 3.5Å; D202-F254 VanDerWaalsContact CA-O 3.29Å; D202-F254 WeakPolarHBondContact CA-O 3.32Å; D202-F255 WeakPolarHBondContact OD1-CA 3.15Å; D202-F255 WeakPolarHBondContact OD1-CB 3.42Å; D202-F255 PolarHBondContact OD1-N 3.35Å; D202-F255 WeakPolarHBondContact OD2-CD2 3.41Å; D202-F255 VanDerWaalsContact OD2-CE2 3.25Å; D202-F255 WeakPolarHBondContact OD2-CE2 3.17Å; D202-P330 WeakPolarHBondContact O-CD 3.44Å; D202-S1572 WeakPolarHBondContact CB-O 3.41Å; D202-S1572 PolarHBondContact N-O 3.47Å; D202-G1573 WeakPolarHBondContact CB-O 3.17Å; D202-L1574 HydrophobicContact CB-CD2 4.12Å; D202-L1574 HydrophobicContact CB-CG 3.89Å; D202-L1574 WeakPolarHBondContact OD1-CD2 3.29Å; D202-L1574 WeakPolarHBondContact OD2-CD1 3.27Å; D202-L1574 WeakPolarHBondContact OD2-CD2 3.18Å; D202-L1574 WeakPolarHBondContact OD2-CG 3.35Å |
| 203 | F | 80 | Confident | 76.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 130.3 | -172.4 | -61.5 | -86.1 | 0 | 0 | 0 | 110.6 | Q201 N253 F254 A258 M261 Y293 I327 L328 | Q201-F203 HydrophobicContact CB-CE2 3.98Å; Q201-F203 HydrophobicContact CB-CZ 4.17Å; F203-N253 WeakPolarHBondContact O-CA 3.31Å; F203-F254 PolarHBondContact N-O 3.08Å; F203-F254 PolarHBondContact O-N 3.27Å; F203-A258 HydrophobicContact CZ-CB 4.04Å; F203-M261 HydrophobicContact CB-CE 3.63Å; F203-M261 HydrophobicContact CD1-CE 3.53Å; F203-M261 HydrophobicContact CD2-CE 3.61Å; F203-M261 HydrophobicContact CD2-CG 4.35Å; F203-M261 HydrophobicContact CE1-CE 4.04Å; F203-M261 HydrophobicContact CE2-CE 4.11Å; F203-M261 HydrophobicContact CG-CE 3.29Å; F203-M261 HydrophobicContact CZ-CE 4.31Å; F203-Y293 HydrophobicContact CD1-CE2 4.06Å; F203-Y293 AromaticContact CE1-CE2 3.67Å; F203-Y293 HydrophobicContact CE1-CE2 3.67Å; F203-I327 HydrophobicContact CB-CG2 4.36Å; F203-I327 HydrophobicContact CD1-CG2 4.14Å; F203-L328 CarbonylContact C-O 3.54Å; F203-L328 VanDerWaalsContact CA-O 3.3Å; F203-L328 WeakPolarHBondContact CA-O 3.31Å |
| 204 | Q | 81.3 | Confident | 77.7 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.5 | 167.4 | 176.2 | 165.1 | 87.9 | 0 | 0 | 110.5 | R206 F252 N253 I327 L328 P1568 | Q204-R206 HydrophobicContact CG-CG 4.05Å; Q204-R206 VanDerWaalsContact OE1-CZ 3.27Å; Q204-F252 CarbonylContact C-O 3.57Å; Q204-F252 WeakPolarHBondContact CA-O 3.4Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.45Å; Q204-N253 PolarHBondContact NE2-OD1 2.9Å; Q204-I327 CarbonylContact O-C 3.58Å; Q204-I327 WeakPolarHBondContact O-CA 3.22Å; Q204-L328 PolarHBondContact N-O 2.75Å; Q204-L328 PolarHBondContact O-N 3.14Å; Q204-P1568 HydrophobicContact CB-CB 4.25Å; Q204-P1568 HydrophobicContact CB-CG 3.93Å |
| 205 | I | 87.2 | Confident | 79 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 108 | 178.6 | -52.4 | 176.2 | 0 | 0 | 0 | 107.9 | V207 F251 F252 F254 M261 L289 V325 V326 I327 | I205-V207 HydrophobicContact CG2-CG2 4.2Å; I205-F251 CarbonylContact O-C 3.59Å; I205-F251 WeakPolarHBondContact O-CA 3.26Å; I205-F252 HydrophobicContact CB-CB 4.39Å; I205-F252 PolarHBondContact N-O 3.47Å; I205-F252 PolarHBondContact O-N 3.35Å; I205-F254 HydrophobicContact CD1-CD2 3.85Å; I205-F254 HydrophobicContact CD1-CE2 3.91Å; I205-M261 HydrophobicContact CD1-SD 4.36Å; I205-L289 HydrophobicContact CD1-CD1 3.47Å; I205-L289 VanDerWaalsContact CD1-CD1 3.47Å; I205-L289 HydrophobicContact CD1-CD2 3.75Å; I205-L289 HydrophobicContact CD1-CG 4.23Å; I205-L289 HydrophobicContact CG2-CD2 4.28Å; I205-V325 HydrophobicContact CG2-CG1 4.04Å; I205-V326 CarbonylContact C-O 3.6Å; I205-V326 WeakPolarHBondContact CA-O 3.34Å; I205-I327 HydrophobicContact CG1-CG1 4.18Å; I205-I327 HydrophobicContact CG1-CG2 4.33Å; I205-I327 HydrophobicContact CG2-CG1 4.35Å |
| 206 | R | 86.2 | Confident | 79.7 | Confident | 26 Ų | 26 | 28.4 Ų | 28.4 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.2 | 177.9 | -49.9 | -172.3 | 174.5 | -179.7 | 7.7 | 108.9 | Q204 F250 F251 V325 V326 L328 | Q204-R206 HydrophobicContact CG-CG 4.05Å; Q204-R206 VanDerWaalsContact OE1-CZ 3.27Å; R206-F250 CarbonylContact C-O 3.6Å; R206-F250 WeakPolarHBondContact CA-O 3.3Å; R206-F251 HydrophobicContact CB-CD1 4.34Å; R206-F251 HydrophobicContact CB-CE1 4.19Å; R206-F251 HydrophobicContact CG-CD1 3.75Å; R206-F251 HydrophobicContact CG-CE1 3.68Å; R206-V325 CarbonylContact O-C 3.43Å; R206-V325 VanDerWaalsContact O-CA 3.24Å; R206-V325 WeakPolarHBondContact O-CA 3.44Å; R206-V326 HydrophobicContact CB-CB 4.25Å; R206-V326 PolarHBondContact N-O 2.85Å; R206-V326 PolarHBondContact O-N 3.2Å; R206-L328 VanDerWaalsContact CZ-CD1 3.4Å; R206-L328 VanDerWaalsContact NH2-CD1 3.3Å |
| 207 | V | 90.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 114.9 | -176.7 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | I205 I226 T249 F250 F252 L266 F268 S324 V325 | I205-V207 HydrophobicContact CG2-CG2 4.2Å; V207-I226 HydrophobicContact CB-CG2 4.41Å; V207-I226 HydrophobicContact CG1-CG1 4.17Å; V207-I226 HydrophobicContact CG1-CG2 3.95Å; V207-I226 HydrophobicContact CG2-CG2 4.38Å; V207-T249 CarbonylContact O-C 3.49Å; V207-T249 WeakPolarHBondContact O-CA 3.49Å; V207-F250 PolarHBondContact N-O 2.94Å; V207-F250 PolarHBondContact O-N 2.92Å; V207-F252 HydrophobicContact CB-CE2 4.43Å; V207-F252 HydrophobicContact CG2-CD2 4.27Å; V207-F252 HydrophobicContact CG2-CE2 4.03Å; V207-L266 HydrophobicContact CG2-CD1 4.19Å; V207-L266 HydrophobicContact CG2-CD2 3.87Å; V207-F268 HydrophobicContact CG1-CE1 3.37Å; V207-F268 HydrophobicContact CG1-CZ 3.46Å; V207-F268 VanDerWaalsContact CG1-CZ 3.46Å; V207-S324 CarbonylContact C-O 3.59Å; V207-S324 WeakPolarHBondContact CA-O 3.45Å; V207-V325 HydrophobicContact CG2-CG1 4.21Å; V207-V325 HydrophobicContact CG2-CG2 4.39Å |
| 208 | K | 89.6 | Confident | 79.2 | Confident | 20 Ų | 20 | 26.7 Ų | 26.7 | 9% | 0.087 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.2 | 172.6 | -171.1 | 173.6 | -170.8 | -167.7 | 0 | 110.5 | I210 D247 Q248 T249 I323 S324 M337 | K208-I210 HydrophobicContact CD-CG1 4.31Å; K208-I210 HydrophobicContact CG-CG1 4.14Å; K208-D247 WeakPolarHBondContact CE-OD1 3.43Å; K208-D247 IonicContact NZ-OD1 2.81Å; K208-D247 PolarHBondContact NZ-OD1 3.17Å; K208-D247 IonicContact NZ-OD2 3.35Å; K208-D247 PolarHBondContact NZ-OD2 2.9Å; K208-Q248 CarbonylContact C-O 3.6Å; K208-Q248 VanDerWaalsContact CA-O 3.3Å; K208-Q248 WeakPolarHBondContact CA-O 3.4Å; K208-Q248 WeakPolarHBondContact CG-O 3.44Å; K208-T249 HydrophobicContact CB-CG2 4.24Å; K208-T249 WeakPolarHBondContact CG-OG1 3.47Å; K208-I323 CarbonylContact O-C 3.58Å; K208-I323 WeakPolarHBondContact O-CA 3.38Å; K208-I323 WeakPolarHBondContact O-CB 3.39Å; K208-S324 PolarHBondContact N-O 2.88Å; K208-S324 PolarHBondContact O-N 2.78Å; K208-M337 HydrophobicContact CB-CE 3.46Å; K208-M337 VanDerWaalsContact CB-CE 3.46Å; K208-M337 HydrophobicContact CD-CB 4.4Å |
| 209 | V | 91.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 113.5 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | C224 I226 T235 W246 D247 Q248 F250 F268 L321 | V209-C224 HydrophobicContact CG1-CB 4.28Å; V209-I226 HydrophobicContact CG2-CD1 3.87Å; V209-I226 HydrophobicContact CG2-CG1 3.97Å; V209-T235 HydrophobicContact CB-CG2 4.11Å; V209-T235 HydrophobicContact CG1-CG2 4.16Å; V209-T235 HydrophobicContact CG2-CG2 4.43Å; V209-W246 HydrophobicContact CG1-CD2 4.43Å; V209-W246 HydrophobicContact CG1-CE3 3.77Å; V209-W246 HydrophobicContact CG1-CZ3 4.19Å; V209-D247 WeakPolarHBondContact O-CA 3.32Å; V209-D247 PolarHBondContact O-N 3.39Å; V209-Q248 PolarHBondContact N-O 3.39Å; V209-Q248 PolarHBondContact O-N 2.96Å; V209-F250 HydrophobicContact CG2-CD2 4.49Å; V209-F250 HydrophobicContact CG2-CE2 4.2Å; V209-F268 HydrophobicContact CG2-CE1 4.3Å; V209-L321 HydrophobicContact CG1-CD1 3.85Å; V209-L321 HydrophobicContact CG1-CG 4.44Å |
| 210 | I | 87.7 | Confident | 78.8 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -63 | -171.1 | -56.9 | 171.7 | 0 | 0 | 0 | 109.6 | K208 F245 W246 D247 N302 K322 | K208-I210 HydrophobicContact CD-CG1 4.31Å; K208-I210 HydrophobicContact CG-CG1 4.14Å; I210-F245 HydrophobicContact CG2-CE2 4.03Å; I210-W246 PolarHBondContact O-N 2.88Å; I210-D247 PolarHBondContact O-N 2.67Å; I210-N302 WeakPolarHBondContact CD1-OD1 3.45Å; I210-K322 HydrophobicContact CB-CB 4.38Å; I210-K322 HydrophobicContact CD1-CG 4.35Å; I210-K322 PolarHBondContact N-O 2.83Å |
| 211 | E | 88.2 | Confident | 79.1 | Confident | 29 Ų | 29 | 15.3 Ų | 15.3 | 14% | 0.136 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 165 | -178.5 | 59.3 | 174.5 | -159.2 | 0 | 0 | 111.4 | R213 P244 F245 W304 K322 | E211-R213 IonicContact OE1-CZ 2.72Å; E211-R213 IonicContact OE1-NE 2.66Å; E211-R213 PolarHBondContact OE1-NE 2.82Å; E211-R213 IonicContact OE1-NH2 2.79Å; E211-R213 PolarHBondContact OE1-NH2 2.72Å; E211-R213 IonicContact OE2-NH2 2.73Å; E211-P244 CarbonylContact C-O 3.54Å; E211-P244 WeakPolarHBondContact CA-O 3.39Å; E211-P244 VanDerWaalsContact CB-O 3.29Å; E211-P244 WeakPolarHBondContact CB-O 3.46Å; E211-F245 HydrophobicContact CB-CB 4.48Å; E211-F245 HydrophobicContact CB-CD2 3.88Å; E211-W304 HydrophobicContact CG-CH2 3.88Å; E211-W304 VanDerWaalsContact OE1-CH2 3.27Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.34Å; E211-W304 WeakPolarHBondContact OE1-CZ2 3.48Å; E211-K322 HydrophobicContact CG-CB 3.88Å; E211-K322 HydrophobicContact CG-CD 4.48Å; E211-K322 PolarHBondContact O-N 2.8Å |
| 212 | A | 87.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 160.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L215 S243 P244 W246 Y320 L321 | A212-L215 HydrophobicContact CB-CD1 3.75Å; A212-L215 HydrophobicContact CB-CD2 3.84Å; A212-L215 HydrophobicContact CB-CG 3.76Å; A212-S243 CarbonylContact O-C 3.48Å; A212-S243 VanDerWaalsContact O-C 3.25Å; A212-S243 WeakPolarHBondContact O-CA 3.25Å; A212-P244 HydrophobicContact CB-CG 3.81Å; A212-P244 PolarHBondContact N-O 3.19Å; A212-W246 HydrophobicContact CB-CH2 4.11Å; A212-W246 HydrophobicContact CB-CZ3 3.73Å; A212-Y320 CarbonylContact C-O 3.52Å; A212-Y320 WeakPolarHBondContact CA-O 3.23Å; A212-Y320 WeakPolarHBondContact CB-O 3.39Å; A212-L321 HydrophobicContact CB-CD1 3.97Å |
| 213 | R | 81.3 | Confident | 80.8 | Confident | 26 Ų | 26 | 14.4 Ų | 14.4 | 10% | 0.098 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 147.5 | 174.9 | -66.5 | 179.3 | -169.7 | -157.1 | 0.8 | 109.9 | E211 L215 W304 Y320 D343 | E211-R213 IonicContact OE1-CZ 2.72Å; E211-R213 IonicContact OE1-NE 2.66Å; E211-R213 PolarHBondContact OE1-NE 2.82Å; E211-R213 IonicContact OE1-NH2 2.79Å; E211-R213 PolarHBondContact OE1-NH2 2.72Å; E211-R213 IonicContact OE2-NH2 2.73Å; R213-L215 PolarHBondContact O-N 2.84Å; R213-L215 VanDerWaalsContact O-N 3.14Å; R213-W304 HydrophobicContact CB-CH2 4.33Å; R213-W304 HydrophobicContact CB-CZ3 4.32Å; R213-W304 VanDerWaalsContact CD-CH2 3.4Å; R213-W304 HydrophobicContact CG-CH2 3.66Å; R213-W304 HydrophobicContact CG-CZ3 4.11Å; R213-W304 VanDerWaalsContact NE-CH2 3.31Å; R213-Y320 PolarHBondContact N-O 3.13Å; R213-Y320 PolarHBondContact O-N 2.85Å; R213-D343 IonicContact CZ-OD2 2.81Å; R213-D343 VanDerWaalsContact CZ-OD2 3.24Å; R213-D343 IonicContact NH1-OD2 3.97Å; R213-D343 PolarHBondContact NH1-OD2 2.72Å; R213-D343 IonicContact NH2-OD1 3.25Å; R213-D343 PolarHBondContact NH2-OD1 3.11Å; R213-D343 IonicContact NH2-OD2 3.8Å; R213-D343 PolarHBondContact NH2-OD2 3.49Å |
| 214 | Q | 75 | Confident | 81.3 | Confident | 34 Ų | 34 | 14.4 Ų | 14.4 | 16% | 0.159 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 52.4 | 35.9 | 174.4 | -55.9 | 172.7 | 10.7 | 0 | 0 | 113.5 | Q216 N242 S243 G319 Y320 S438 | Q214-Q216 PolarHBondContact O-N 3.29Å; Q214-N242 PolarHBondContact N-O 3.24Å; Q214-S243 PolarHBondContact N-OG 3.48Å; Q214-G319 WeakPolarHBondContact O-CA 3.49Å; Q214-Y320 HydrophobicContact CB-CD2 4.23Å; Q214-Y320 HydrophobicContact CB-CE2 4.42Å; Q214-S438 PolarHBondContact NE2-O 2.8Å; Q214-S438 PolarHBondContact OE1-O 3.18Å |
| 215 | L | 80.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | trans | -60.1 | 133.2 | 172.3 | -67.6 | 178.8 | 0 | 0 | 0 | 109.7 | A212 R213 G217 I220 P222 N242 P244 V270 I282 L307 | A212-L215 HydrophobicContact CB-CD1 3.75Å; A212-L215 HydrophobicContact CB-CD2 3.84Å; A212-L215 HydrophobicContact CB-CG 3.76Å; R213-L215 PolarHBondContact O-N 2.84Å; R213-L215 VanDerWaalsContact O-N 3.14Å; L215-G217 PolarHBondContact O-N 3.11Å; L215-I220 HydrophobicContact CB-CD1 3.59Å; L215-I220 HydrophobicContact CD1-CD1 4.09Å; L215-P222 HydrophobicContact CD1-CB 3.54Å; L215-P222 HydrophobicContact CD1-CG 3.93Å; L215-N242 WeakPolarHBondContact CB-O 3.37Å; L215-N242 WeakPolarHBondContact CG-O 3.19Å; L215-N242 PolarHBondContact N-O 3.22Å; L215-P244 HydrophobicContact CD1-CG 3.89Å; L215-V270 HydrophobicContact CD1-CG1 3.89Å; L215-V270 HydrophobicContact CD2-CB 4.46Å; L215-V270 HydrophobicContact CD2-CG1 4.06Å; L215-I282 HydrophobicContact CB-CG2 4.31Å; L215-I282 HydrophobicContact CD2-CG2 4.4Å; L215-L307 HydrophobicContact CD2-CD1 3.61Å | ||
| 216 | Q | 73.7 | Confident | 82.1 | Confident | 15 Ų | 15 | 17.2 Ų | 17.2 | 7% | 0.07 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -67.9 | 133.5 | -178.5 | -174.8 | 168.1 | 22 | 0 | 0 | 111.9 | Q214 I282 K318 F472 D474 | Q214-Q216 PolarHBondContact O-N 3.29Å; Q216-I282 HydrophobicContact CB-CG2 4.33Å; Q216-K318 PolarHBondContact N-O 2.86Å; Q216-K318 VanDerWaalsContact N-O 3.07Å; Q216-F472 HydrophobicContact CB-CD1 4Å; Q216-F472 HydrophobicContact CB-CE1 4.31Å; Q216-F472 HydrophobicContact CG-CD1 3.77Å; Q216-F472 HydrophobicContact CG-CE1 4.13Å; Q216-D474 PolarHBondContact NE2-OD1 3.3Å; Q216-D474 PolarHBondContact NE2-OD2 3.12Å; Q216-D474 VanDerWaalsContact NE2-OD2 3.07Å |
| 217 | G | 66.9 | Low | 82.3 | Confident | 27 Ų | 27 | 17.4 Ų | 17.4 | 28% | 0.278 | 10% | 0.099 | S | C | . | . | S | Bend | trans | 123.8 | 150.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L215 | L215-G217 PolarHBondContact O-N 3.11Š|
| 218 | A | 60.4 | Low | 82.2 | Confident | 47 Ų | 47 | 17.4 Ų | 17.4 | 39% | 0.388 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -89.4 | 136.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I220 R274 | A218-I220 PolarHBondContact O-N 3.11Å; A218-R274 PolarHBondContact O-NH2 2.72Å |
| 219 | N | 63 | Low | 81.6 | Confident | 27 Ų | 27 | 20 Ų | 20 | 14% | 0.144 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 59.1 | 13.7 | 174.5 | -163.2 | 7.8 | 0 | 0 | 0 | 115.2 | C240 R274 T746 | N219-C240 WeakPolarHBondContact OD1-CA 3.49Å; N219-C240 VanDerWaalsContact OD1-CB 3.28Å; N219-C240 WeakPolarHBondContact OD1-CB 3.44Å; N219-C240 PolarHBondContact OD1-SG 3.15Å; N219-R274 VanDerWaalsContact C-CZ 3.5Å; N219-R274 VanDerWaalsContact C-NH2 3.3Å; N219-R274 PolarHBondContact ND2-NH1 2.66Å; N219-R274 PolarHBondContact O-NE 3.15Å; N219-R274 PolarHBondContact O-NH1 2.86Å; N219-R274 PolarHBondContact O-NH2 2.7Å; N219-R274 VanDerWaalsContact O-NH2 3.1Å; N219-T746 PolarHBondContact ND2-OG1 3.49Å |
| 220 | I | 73.5 | Confident | 80.8 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | trans | -55.6 | 152.8 | -172.8 | 56.2 | 160.1 | 0 | 0 | 0 | 113.8 | L215 A218 P222 C240 T241 D272 I282 | L215-I220 HydrophobicContact CB-CD1 3.59Å; L215-I220 HydrophobicContact CD1-CD1 4.09Å; A218-I220 PolarHBondContact O-N 3.11Å; I220-P222 HydrophobicContact CD1-CB 4.44Å; I220-P222 VanDerWaalsContact O-CD 3.25Å; I220-P222 WeakPolarHBondContact O-CD 3.37Å; I220-C240 CarbonylContact O-C 3.59Å; I220-C240 WeakPolarHBondContact O-CA 3.27Å; I220-C240 PolarHBondContact O-N 2.98Å; I220-C240 VanDerWaalsContact O-N 3.14Å; I220-T241 WeakPolarHBondContact CG1-O 3.26Å; I220-T241 PolarHBondContact O-N 3.19Å; I220-D272 HydrophobicContact CB-CB 4.13Å; I220-D272 HydrophobicContact CG2-CB 4.07Å; I220-D272 WeakPolarHBondContact CG2-OD2 3.47Å; I220-I282 HydrophobicContact CB-CD1 4.5Å; I220-I282 HydrophobicContact CD1-CD1 3.52Å | ||
| 221 | S | 77.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | trans | -111.7 | 83.3 | 171.3 | -58.7 | 0 | 0 | 0 | 0 | 111 | R238 D272 S273 R274 | S221-R238 CarbonylContact C-O 3.58Å; S221-R238 WeakPolarHBondContact CA-O 3.19Å; S221-R238 VanDerWaalsContact CB-O 3.31Å; S221-R238 WeakPolarHBondContact CB-O 3.22Å; S221-D272 PolarHBondContact N-OD1 3Å; S221-S273 WeakPolarHBondContact CB-OG 3.37Å; S221-S273 WeakPolarHBondContact O-CB 3.37Å; S221-S273 PolarHBondContact O-N 3.29Å; S221-S273 PolarHBondContact O-OG 2.91Å; S221-R274 VanDerWaalsContact OG-CD 3.28Å; S221-R274 WeakPolarHBondContact OG-CD 3.11Å; S221-R274 WeakPolarHBondContact OG-CG 3.2Å | ||
| 222 | P | 87 | Confident | 80.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 142.5 | -168.2 | 26.1 | -36.5 | 0 | 0 | 0 | 114.8 | L215 I220 R238 T241 P244 W246 V270 Y271 | L215-P222 HydrophobicContact CD1-CB 3.54Å; L215-P222 HydrophobicContact CD1-CG 3.93Å; I220-P222 HydrophobicContact CD1-CB 4.44Å; I220-P222 VanDerWaalsContact O-CD 3.25Å; I220-P222 WeakPolarHBondContact O-CD 3.37Å; P222-R238 WeakPolarHBondContact CD-O 3.3Å; P222-R238 HydrophobicContact CG-CB 4.45Å; P222-R238 VanDerWaalsContact N-O 3.15Å; P222-R238 PolarHBondContact O-N 3.19Å; P222-R238 VanDerWaalsContact O-N 3.09Å; P222-T241 VanDerWaalsContact CD-O 3.22Å; P222-T241 WeakPolarHBondContact CD-O 3.44Å; P222-T241 HydrophobicContact CG-CG2 4.33Å; P222-T241 WeakPolarHBondContact CG-O 3.39Å; P222-P244 HydrophobicContact CB-CG 4.06Å; P222-P244 HydrophobicContact CG-CB 3.7Å; P222-P244 HydrophobicContact CG-CG 3.46Å; P222-P244 VanDerWaalsContact CG-CG 3.46Å; P222-W246 HydrophobicContact CB-CH2 4.25Å; P222-W246 HydrophobicContact CB-CZ2 4.01Å; P222-W246 HydrophobicContact CG-CZ2 4.39Å; P222-V270 HydrophobicContact CB-CG1 4.14Å; P222-Y271 CarbonylContact C-O 3.52Å; P222-Y271 VanDerWaalsContact CA-O 3.29Å; P222-Y271 WeakPolarHBondContact CA-O 3.36Å |
| 223 | I | 88.5 | Confident | 80.2 | Confident | 33 Ų | 33 | 36.6 Ų | 36.6 | 17% | 0.169 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.3 | 167.2 | -176.5 | 169 | 0 | 0 | 0 | 109.2 | D234 T235 V237 V270 Y271 | I223-D234 HydrophobicContact CD1-CB 4.18Å; I223-T235 WeakPolarHBondContact CD1-O 3.27Å; I223-T235 VanDerWaalsContact CG1-O 3.26Å; I223-T235 WeakPolarHBondContact CG1-O 3.41Å; I223-V237 HydrophobicContact CB-CG2 4.31Å; I223-V237 HydrophobicContact CD1-CG2 4.15Å; I223-V270 CarbonylContact O-C 3.56Å; I223-V270 WeakPolarHBondContact O-CA 3.35Å; I223-Y271 PolarHBondContact N-O 2.99Å; I223-Y271 PolarHBondContact O-N 2.75Å |
| 224 | C | 91.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.3 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | V209 D234 T235 W246 V270 | V209-C224 HydrophobicContact CG1-CB 4.28Å; C224-D234 CarbonylContact O-C 3.57Å; C224-D234 WeakPolarHBondContact O-CA 3.42Å; C224-T235 HydrophobicContact CB-CG2 3.97Å; C224-T235 PolarHBondContact N-OG1 3.08Å; C224-T235 PolarHBondContact O-N 2.89Å; C224-T235 PolarHBondContact O-OG1 3.02Å; C224-W246 HydrophobicContact CB-CH2 4.16Å; C224-W246 HydrophobicContact CB-CZ2 4.36Å; C224-W246 HydrophobicContact CB-CZ3 4.48Å; C224-V270 HydrophobicContact CB-CG2 4.3Å |
| 225 | K | 92.2 | Very high | 81.1 | Confident | 62 Ų | 62 | 38.1 Ų | 38.1 | 27% | 0.27 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.5 | 174.1 | 174.8 | 158.6 | -164.7 | 171.9 | 0 | 109.9 | S232 D234 F268 T269 Y271 | K225-S232 WeakPolarHBondContact CE-OG 3.07Å; K225-D234 VanDerWaalsContact CB-OD1 3.28Å; K225-D234 WeakPolarHBondContact CB-OD1 3.27Å; K225-D234 VanDerWaalsContact CD-OD1 3.3Å; K225-D234 WeakPolarHBondContact CD-OD1 3.34Å; K225-D234 WeakPolarHBondContact CG-OD1 3.45Å; K225-F268 CarbonylContact O-C 3.51Å; K225-T269 PolarHBondContact N-O 3.23Å; K225-T269 PolarHBondContact O-N 2.91Å; K225-Y271 HydrophobicContact CB-CD2 4.35Å; K225-Y271 HydrophobicContact CB-CE2 3.84Å; K225-Y271 HydrophobicContact CD-CE2 4.09Å |
| 226 | I | 93 | Very high | 81 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.5 | 174.8 | -51.1 | 81.4 | 0 | 0 | 0 | 106.7 | V207 V209 S232 K233 F250 F252 L266 V267 F268 | V207-I226 HydrophobicContact CB-CG2 4.41Å; V207-I226 HydrophobicContact CG1-CG1 4.17Å; V207-I226 HydrophobicContact CG1-CG2 3.95Å; V207-I226 HydrophobicContact CG2-CG2 4.38Å; V209-I226 HydrophobicContact CG2-CD1 3.87Å; V209-I226 HydrophobicContact CG2-CG1 3.97Å; I226-S232 CarbonylContact O-C 3.53Å; I226-S232 WeakPolarHBondContact O-CA 3.26Å; I226-K233 WeakPolarHBondContact CD1-O 3.33Å; I226-K233 PolarHBondContact N-O 3.38Å; I226-K233 PolarHBondContact O-N 3.4Å; I226-F250 HydrophobicContact CD1-CD2 3.51Å; I226-F250 HydrophobicContact CD1-CE1 4.49Å; I226-F250 HydrophobicContact CD1-CE2 3.36Å; I226-F250 HydrophobicContact CD1-CG 4.17Å; I226-F250 HydrophobicContact CD1-CZ 3.89Å; I226-F250 HydrophobicContact CG1-CD2 4.16Å; I226-F250 HydrophobicContact CG1-CE2 4.42Å; I226-F252 HydrophobicContact CB-CE2 4.5Å; I226-F252 HydrophobicContact CB-CZ 4.13Å; I226-F252 HydrophobicContact CG2-CE2 3.77Å; I226-F252 HydrophobicContact CG2-CZ 3.77Å; I226-L266 HydrophobicContact CG2-CD1 3.83Å; I226-V267 CarbonylContact C-O 3.57Å; I226-V267 WeakPolarHBondContact CA-O 3.27Å; I226-F268 HydrophobicContact CG1-CD1 3.97Å; I226-F268 HydrophobicContact CG1-CE1 3.94Å; I226-F268 HydrophobicContact CG2-CD1 4.36Å; I226-F268 HydrophobicContact CG2-CE1 4.05Å; I226-F268 HydrophobicContact CG2-CZ 4.33Å |
| 227 | T | 89.8 | Confident | 81.3 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 115.9 | 173.5 | -57 | 0 | 0 | 0 | 0 | 109.4 | E231 S232 V267 | T227-E231 CarbonylContact C-O 3.55Å; T227-E231 WeakPolarHBondContact CA-O 3.37Å; T227-E231 WeakPolarHBondContact CG2-O 3.45Å; T227-S232 WeakPolarHBondContact CG2-OG 3.43Å; T227-S232 PolarHBondContact OG1-OG 2.85Å; T227-V267 PolarHBondContact N-O 3.39Å; T227-V267 PolarHBondContact O-N 2.87Å |
| 228 | C | 87.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.1 | 174.6 | -162.2 | 0 | 0 | 0 | 0 | 108.7 | K230 E231 F252 F254 L266 | C228-K230 PolarHBondContact O-N 3.08Å; C228-E231 PolarHBondContact N-O 2.86Å; C228-E231 PolarHBondContact O-N 2.86Å; C228-F252 HydrophobicContact CB-CB 4.01Å; C228-F252 HydrophobicContact CB-CD1 3.62Å; C228-F252 HydrophobicContact CB-CD2 3.64Å; C228-F252 HydrophobicContact CB-CE1 3.89Å; C228-F252 HydrophobicContact CB-CE2 3.93Å; C228-F252 HydrophobicContact CB-CG 3.48Å; C228-F252 VanDerWaalsContact CB-CG 3.48Å; C228-F252 HydrophobicContact CB-CZ 4.04Å; C228-F254 HydrophobicContact CB-CE2 4.28Å; C228-F254 HydrophobicContact CB-CZ 4.31Å; C228-L266 HydrophobicContact CB-CD1 3.56Å |
| 229 | W | 78.7 | Confident | 82 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 28% | 0.284 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -85.6 | -177.5 | -166.4 | 11.3 | 0 | 0 | 0 | 114.7 | F254 D256 Q264 Q265 | W229-F254 HydrophobicContact CB-CE1 4.24Å; W229-F254 HydrophobicContact CB-CZ 3.97Å; W229-F254 HydrophobicContact CD2-CD1 4.47Å; W229-F254 HydrophobicContact CD2-CE1 4.42Å; W229-F254 HydrophobicContact CE3-CB 4.26Å; W229-F254 AromaticContact CE3-CD1 3.34Å; W229-F254 HydrophobicContact CE3-CD1 3.34Å; W229-F254 HydrophobicContact CE3-CD2 4.29Å; W229-F254 AromaticContact CE3-CE1 3.65Å; W229-F254 HydrophobicContact CE3-CE1 3.65Å; W229-F254 AromaticContact CE3-CG 3.7Å; W229-F254 HydrophobicContact CE3-CG 3.7Å; W229-F254 HydrophobicContact CE3-CZ 4.24Å; W229-F254 HydrophobicContact CZ3-CB 4.01Å; W229-F254 AromaticContact CZ3-CD1 3.72Å; W229-F254 HydrophobicContact CZ3-CD1 3.72Å; W229-F254 HydrophobicContact CZ3-CE1 4.44Å; W229-F254 AromaticContact CZ3-CG 3.95Å; W229-F254 HydrophobicContact CZ3-CG 3.95Å; W229-D256 HydrophobicContact CH2-CB 4.31Å; W229-D256 WeakPolarHBondContact CH2-OD2 3.18Å; W229-Q264 HydrophobicContact CB-CB 4.49Å; W229-Q264 HydrophobicContact CD2-CG 3.9Å; W229-Q264 HydrophobicContact CE3-CG 4.44Å; W229-Q264 HydrophobicContact CG-CB 4.27Å; W229-Q264 HydrophobicContact CG-CG 4.01Å; W229-Q264 HydrophobicContact CZ2-CG 4.3Å; W229-Q265 PolarHBondContact N-O 2.94Å |
| 230 | K | 74.3 | Confident | 82.1 | Confident | 178 Ų | 178 | 55.7 Ų | 55.7 | 77% | 0.774 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | -7.4 | 178.4 | -65.9 | 178.7 | -174 | 166.8 | 0 | 114.2 | C228 | C228-K230 PolarHBondContact O-N 3.08Š|
| 231 | E | 80.5 | Confident | 81.8 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 148 | -177.4 | -70.9 | -176.7 | -166.8 | 0 | 0 | 111.4 | T227 C228 F252 | T227-E231 CarbonylContact C-O 3.55Å; T227-E231 WeakPolarHBondContact CA-O 3.37Å; T227-E231 WeakPolarHBondContact CG2-O 3.45Å; C228-E231 PolarHBondContact N-O 2.86Å; C228-E231 PolarHBondContact O-N 2.86Å; E231-F252 HydrophobicContact CB-CD1 3.7Å; E231-F252 HydrophobicContact CB-CE1 3.93Å; E231-F252 WeakPolarHBondContact OE2-CD1 3.29Å |
| 232 | S | 85.5 | Confident | 81.7 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 147.5 | 174 | -51.7 | 0 | 0 | 0 | 0 | 113.5 | K225 I226 T227 | K225-S232 WeakPolarHBondContact CE-OG 3.07Å; I226-S232 CarbonylContact O-C 3.53Å; I226-S232 WeakPolarHBondContact O-CA 3.26Å; T227-S232 WeakPolarHBondContact CG2-OG 3.43Å; T227-S232 PolarHBondContact OG1-OG 2.85Å |
| 233 | K | 84.2 | Confident | 81.3 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 146.3 | 175 | -60.5 | -175.8 | 176.9 | 178.9 | 0 | 110.5 | I226 F250 F251 F252 | I226-K233 WeakPolarHBondContact CD1-O 3.33Å; I226-K233 PolarHBondContact N-O 3.38Å; I226-K233 PolarHBondContact O-N 3.4Å; K233-F250 HydrophobicContact CB-CD1 3.48Å; K233-F250 VanDerWaalsContact CB-CD1 3.48Å; K233-F250 HydrophobicContact CB-CE1 3.94Å; K233-F250 HydrophobicContact CB-CG 4.2Å; K233-F250 HydrophobicContact CD-CB 4.28Å; K233-F250 HydrophobicContact CD-CD1 4.1Å; K233-F250 HydrophobicContact CG-CD1 4.36Å; K233-F251 WeakPolarHBondContact CE-O 3.44Å; K233-F251 PolarHBondContact NZ-O 2.88Å; K233-F252 HydrophobicContact CB-CZ 4.46Å; K233-F252 HydrophobicContact CD-CE1 4.31Å; K233-F252 HydrophobicContact CD-CZ 4.44Å; K233-F252 HydrophobicContact CG-CE1 4.15Å; K233-F252 HydrophobicContact CG-CZ 4.31Å |
| 234 | D | 87.6 | Confident | 81 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.9 | -171.3 | -59.1 | -11.8 | 0 | 0 | 0 | 112.2 | I223 C224 K225 F250 | I223-D234 HydrophobicContact CD1-CB 4.18Å; C224-D234 CarbonylContact O-C 3.57Å; C224-D234 WeakPolarHBondContact O-CA 3.42Å; K225-D234 VanDerWaalsContact CB-OD1 3.28Å; K225-D234 WeakPolarHBondContact CB-OD1 3.27Å; K225-D234 VanDerWaalsContact CD-OD1 3.3Å; K225-D234 WeakPolarHBondContact CD-OD1 3.34Å; K225-D234 WeakPolarHBondContact CG-OD1 3.45Å; D234-F250 WeakPolarHBondContact O-CE1 3.33Å |
| 235 | T | 87.3 | Confident | 80.7 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 170.8 | 174.6 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | V209 I223 C224 W246 F250 | V209-T235 HydrophobicContact CB-CG2 4.11Å; V209-T235 HydrophobicContact CG1-CG2 4.16Å; V209-T235 HydrophobicContact CG2-CG2 4.43Å; I223-T235 WeakPolarHBondContact CD1-O 3.27Å; I223-T235 VanDerWaalsContact CG1-O 3.26Å; I223-T235 WeakPolarHBondContact CG1-O 3.41Å; C224-T235 HydrophobicContact CB-CG2 3.97Å; C224-T235 PolarHBondContact N-OG1 3.08Å; C224-T235 PolarHBondContact O-N 2.89Å; C224-T235 PolarHBondContact O-OG1 3.02Å; T235-W246 HydrophobicContact CG2-CG 4.4Å; T235-W246 PolarHBondContact OG1-NE1 3.24Å; T235-F250 HydrophobicContact CG2-CE2 3.78Å; T235-F250 HydrophobicContact CG2-CZ 3.72Å |
| 236 | R | 78.9 | Confident | 80.3 | Confident | 191 Ų | 191 | 63.4 Ų | 63.4 | 72% | 0.721 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 146.4 | 166 | -61.1 | -179.5 | -173.7 | -170.8 | 1.6 | 111.6 | W246 | R236-W246 PolarHBondContact O-NE1 3.42Š|
| 237 | V | 79 | Confident | 79.8 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -66 | 140.1 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 111 | I223 S273 | I223-V237 HydrophobicContact CB-CG2 4.31Å; I223-V237 HydrophobicContact CD1-CG2 4.15Å; V237-S273 VanDerWaalsContact CG1-OG 3.22Å; V237-S273 WeakPolarHBondContact CG1-OG 3.48Å |
| 238 | R | 76.6 | Confident | 79.3 | Confident | 112 Ų | 112 | 67 Ų | 67 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | trans | -112.8 | 140.2 | 162.3 | -69.4 | -59.5 | -163.7 | 178.5 | 3.3 | 108.8 | S221 P222 T241 P244 F245 | S221-R238 CarbonylContact C-O 3.58Å; S221-R238 WeakPolarHBondContact CA-O 3.19Å; S221-R238 VanDerWaalsContact CB-O 3.31Å; S221-R238 WeakPolarHBondContact CB-O 3.22Å; P222-R238 WeakPolarHBondContact CD-O 3.3Å; P222-R238 HydrophobicContact CG-CB 4.45Å; P222-R238 VanDerWaalsContact N-O 3.15Å; P222-R238 PolarHBondContact O-N 3.19Å; P222-R238 VanDerWaalsContact O-N 3.09Å; R238-T241 HydrophobicContact CB-CG2 4.04Å; R238-P244 HydrophobicContact CB-CB 3.8Å; R238-P244 HydrophobicContact CG-CB 3.83Å; R238-F245 PolarHBondContact NE-O 3.35Å; R238-F245 PolarHBondContact NH2-O 2.78Å | ||
| 239 | N | 65.9 | Low | 79 | Confident | 100 Ų | 100 | 69.1 Ų | 69.1 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | trans | -96.7 | 147.3 | -175 | -58.8 | -13.1 | 0 | 0 | 0 | 111.3 | T241 | N239-T241 VanDerWaalsContact C-N 3.34Å; N239-T241 PolarHBondContact O-N 2.81Å | ||
| 240 | C | 64.8 | Low | 79.2 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 53.7 | 39.2 | 164.2 | -55.1 | 0 | 0 | 0 | 0 | 115.5 | N219 I220 S742 | N219-C240 WeakPolarHBondContact OD1-CA 3.49Å; N219-C240 VanDerWaalsContact OD1-CB 3.28Å; N219-C240 WeakPolarHBondContact OD1-CB 3.44Å; N219-C240 PolarHBondContact OD1-SG 3.15Å; I220-C240 CarbonylContact O-C 3.59Å; I220-C240 WeakPolarHBondContact O-CA 3.27Å; I220-C240 PolarHBondContact O-N 2.98Å; I220-C240 VanDerWaalsContact O-N 3.14Å; C240-S742 PolarHBondContact SG-OG 3.27Å; C240-S742 VanDerWaalsContact SG-OG 3.35Å |
| 241 | T | 67.3 | Low | 79.4 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | trans | -146.6 | 135 | -177 | -179 | 0 | 0 | 0 | 0 | 113.5 | I220 P222 R238 N239 S243 P244 | I220-T241 WeakPolarHBondContact CG1-O 3.26Å; I220-T241 PolarHBondContact O-N 3.19Å; P222-T241 VanDerWaalsContact CD-O 3.22Å; P222-T241 WeakPolarHBondContact CD-O 3.44Å; P222-T241 HydrophobicContact CG-CG2 4.33Å; P222-T241 WeakPolarHBondContact CG-O 3.39Å; R238-T241 HydrophobicContact CB-CG2 4.04Å; N239-T241 VanDerWaalsContact C-N 3.34Å; N239-T241 PolarHBondContact O-N 2.81Å; T241-S243 VanDerWaalsContact C-N 3.33Å; T241-S243 PolarHBondContact OG1-N 2.8Å; T241-S243 PolarHBondContact OG1-O 2.87Å; T241-P244 HydrophobicContact CG2-CB 3.92Å | ||
| 242 | N | 75.4 | Confident | 79.5 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -86.2 | -5.2 | 170.3 | 67.3 | 6.6 | 0 | 0 | 0 | 113.3 | Q214 L215 | Q214-N242 PolarHBondContact N-O 3.24Å; L215-N242 WeakPolarHBondContact CB-O 3.37Å; L215-N242 WeakPolarHBondContact CG-O 3.19Å; L215-N242 PolarHBondContact N-O 3.22Å |
| 243 | S | 78.3 | Confident | 79.2 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -136.3 | 65.9 | -175.7 | -55.8 | 0 | 0 | 0 | 0 | 111 | A212 Q214 T241 | A212-S243 CarbonylContact O-C 3.48Å; A212-S243 VanDerWaalsContact O-C 3.25Å; A212-S243 WeakPolarHBondContact O-CA 3.25Å; Q214-S243 PolarHBondContact N-OG 3.48Å; T241-S243 VanDerWaalsContact C-N 3.33Å; T241-S243 PolarHBondContact OG1-N 2.8Å; T241-S243 PolarHBondContact OG1-O 2.87Å |
| 244 | P | 83 | Confident | 79 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | trans | -75.9 | 146.1 | -175.7 | 32.7 | -40 | 0 | 0 | 0 | 113.7 | E211 A212 L215 P222 R238 T241 W246 | E211-P244 CarbonylContact C-O 3.54Å; E211-P244 WeakPolarHBondContact CA-O 3.39Å; E211-P244 VanDerWaalsContact CB-O 3.29Å; E211-P244 WeakPolarHBondContact CB-O 3.46Å; A212-P244 HydrophobicContact CB-CG 3.81Å; A212-P244 PolarHBondContact N-O 3.19Å; L215-P244 HydrophobicContact CD1-CG 3.89Å; P222-P244 HydrophobicContact CB-CG 4.06Å; P222-P244 HydrophobicContact CG-CB 3.7Å; P222-P244 HydrophobicContact CG-CG 3.46Å; P222-P244 VanDerWaalsContact CG-CG 3.46Å; R238-P244 HydrophobicContact CB-CB 3.8Å; R238-P244 HydrophobicContact CG-CB 3.83Å; T241-P244 HydrophobicContact CG2-CB 3.92Å; P244-W246 HydrophobicContact CB-CD2 4.42Å; P244-W246 HydrophobicContact CB-CE3 4.47Å; P244-W246 HydrophobicContact CB-CH2 4.07Å; P244-W246 HydrophobicContact CB-CZ2 3.98Å; P244-W246 HydrophobicContact CB-CZ3 4.3Å; P244-W246 HydrophobicContact CG-CE3 4.2Å; P244-W246 HydrophobicContact CG-CH2 3.29Å; P244-W246 HydrophobicContact CG-CZ2 3.66Å; P244-W246 HydrophobicContact CG-CZ3 3.58Å | ||
| 245 | F | 84.3 | Confident | 78.5 | Confident | 95 Ų | 95 | 53.2 Ų | 53.2 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.7 | 171 | -172.4 | -89.2 | 0 | 0 | 0 | 110.6 | I210 E211 R238 D247 | I210-F245 HydrophobicContact CG2-CE2 4.03Å; E211-F245 HydrophobicContact CB-CB 4.48Å; E211-F245 HydrophobicContact CB-CD2 3.88Å; R238-F245 PolarHBondContact NE-O 3.35Å; R238-F245 PolarHBondContact NH2-O 2.78Å; F245-D247 HydrophobicContact CE1-CB 3.79Å; F245-D247 HydrophobicContact CZ-CB 4.08Å |
| 246 | W | 84.3 | Confident | 77.9 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -48.2 | -175 | -71.6 | -75.4 | 0 | 0 | 0 | 115 | V209 I210 A212 P222 C224 T235 R236 P244 L321 | V209-W246 HydrophobicContact CG1-CD2 4.43Å; V209-W246 HydrophobicContact CG1-CE3 3.77Å; V209-W246 HydrophobicContact CG1-CZ3 4.19Å; I210-W246 PolarHBondContact O-N 2.88Å; A212-W246 HydrophobicContact CB-CH2 4.11Å; A212-W246 HydrophobicContact CB-CZ3 3.73Å; P222-W246 HydrophobicContact CB-CH2 4.25Å; P222-W246 HydrophobicContact CB-CZ2 4.01Å; P222-W246 HydrophobicContact CG-CZ2 4.39Å; C224-W246 HydrophobicContact CB-CH2 4.16Å; C224-W246 HydrophobicContact CB-CZ2 4.36Å; C224-W246 HydrophobicContact CB-CZ3 4.48Å; T235-W246 HydrophobicContact CG2-CG 4.4Å; T235-W246 PolarHBondContact OG1-NE1 3.24Å; R236-W246 PolarHBondContact O-NE1 3.42Å; P244-W246 HydrophobicContact CB-CD2 4.42Å; P244-W246 HydrophobicContact CB-CE3 4.47Å; P244-W246 HydrophobicContact CB-CH2 4.07Å; P244-W246 HydrophobicContact CB-CZ2 3.98Å; P244-W246 HydrophobicContact CB-CZ3 4.3Å; P244-W246 HydrophobicContact CG-CE3 4.2Å; P244-W246 HydrophobicContact CG-CH2 3.29Å; P244-W246 HydrophobicContact CG-CZ2 3.66Å; P244-W246 HydrophobicContact CG-CZ3 3.58Å; W246-L321 HydrophobicContact CH2-CD1 4.5Å; W246-L321 HydrophobicContact CZ3-CD1 3.76Å |
| 247 | D | 82 | Confident | 77.9 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 35% | 0.353 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.7 | 53.6 | -173.4 | -152.7 | 43.6 | 0 | 0 | 0 | 115.4 | K208 V209 I210 F245 | K208-D247 WeakPolarHBondContact CE-OD1 3.43Å; K208-D247 IonicContact NZ-OD1 2.81Å; K208-D247 PolarHBondContact NZ-OD1 3.17Å; K208-D247 IonicContact NZ-OD2 3.35Å; K208-D247 PolarHBondContact NZ-OD2 2.9Å; V209-D247 WeakPolarHBondContact O-CA 3.32Å; V209-D247 PolarHBondContact O-N 3.39Å; I210-D247 PolarHBondContact O-N 2.67Å; F245-D247 HydrophobicContact CE1-CB 3.79Å; F245-D247 HydrophobicContact CZ-CB 4.08Å |
| 248 | Q | 80.3 | Confident | 77.8 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146.6 | -175.4 | -75.8 | 164.3 | 46.9 | 0 | 0 | 113.1 | K208 V209 F250 | K208-Q248 CarbonylContact C-O 3.6Å; K208-Q248 VanDerWaalsContact CA-O 3.3Å; K208-Q248 WeakPolarHBondContact CA-O 3.4Å; K208-Q248 WeakPolarHBondContact CG-O 3.44Å; V209-Q248 PolarHBondContact N-O 3.39Å; V209-Q248 PolarHBondContact O-N 2.96Å; Q248-F250 HydrophobicContact CB-CE2 4.21Å; Q248-F250 HydrophobicContact CB-CZ 4.28Å |
| 249 | T | 80 | Confident | 77.9 | Confident | 46 Ų | 46 | 38.3 Ų | 38.3 | 28% | 0.282 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.3 | -175.5 | -48.7 | 0 | 0 | 0 | 0 | 112.6 | V207 K208 F251 | V207-T249 CarbonylContact O-C 3.49Å; V207-T249 WeakPolarHBondContact O-CA 3.49Å; K208-T249 HydrophobicContact CB-CG2 4.24Å; K208-T249 WeakPolarHBondContact CG-OG1 3.47Å; T249-F251 HydrophobicContact CG2-CE2 3.76Å; T249-F251 HydrophobicContact CG2-CZ 3.77Å |
| 250 | F | 83.9 | Confident | 78.5 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 10% | 0.101 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 159 | -174.7 | -54.7 | -82.2 | 0 | 0 | 0 | 111 | R206 V207 V209 I226 K233 D234 T235 Q248 F252 | R206-F250 CarbonylContact C-O 3.6Å; R206-F250 WeakPolarHBondContact CA-O 3.3Å; V207-F250 PolarHBondContact N-O 2.94Å; V207-F250 PolarHBondContact O-N 2.92Å; V209-F250 HydrophobicContact CG2-CD2 4.49Å; V209-F250 HydrophobicContact CG2-CE2 4.2Å; I226-F250 HydrophobicContact CD1-CD2 3.51Å; I226-F250 HydrophobicContact CD1-CE1 4.49Å; I226-F250 HydrophobicContact CD1-CE2 3.36Å; I226-F250 HydrophobicContact CD1-CG 4.17Å; I226-F250 HydrophobicContact CD1-CZ 3.89Å; I226-F250 HydrophobicContact CG1-CD2 4.16Å; I226-F250 HydrophobicContact CG1-CE2 4.42Å; K233-F250 HydrophobicContact CB-CD1 3.48Å; K233-F250 VanDerWaalsContact CB-CD1 3.48Å; K233-F250 HydrophobicContact CB-CE1 3.94Å; K233-F250 HydrophobicContact CB-CG 4.2Å; K233-F250 HydrophobicContact CD-CB 4.28Å; K233-F250 HydrophobicContact CD-CD1 4.1Å; K233-F250 HydrophobicContact CG-CD1 4.36Å; D234-F250 WeakPolarHBondContact O-CE1 3.33Å; T235-F250 HydrophobicContact CG2-CE2 3.78Å; T235-F250 HydrophobicContact CG2-CZ 3.72Å; Q248-F250 HydrophobicContact CB-CE2 4.21Å; Q248-F250 HydrophobicContact CB-CZ 4.28Å; F250-F252 HydrophobicContact CB-CE2 4.36Å |
| 251 | F | 77.9 | Confident | 79.3 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 141.5 | -173.2 | -60 | -100 | 0 | 0 | 0 | 109.9 | I205 R206 K233 T249 I1761 | I205-F251 CarbonylContact O-C 3.59Å; I205-F251 WeakPolarHBondContact O-CA 3.26Å; R206-F251 HydrophobicContact CB-CD1 4.34Å; R206-F251 HydrophobicContact CB-CE1 4.19Å; R206-F251 HydrophobicContact CG-CD1 3.75Å; R206-F251 HydrophobicContact CG-CE1 3.68Å; K233-F251 WeakPolarHBondContact CE-O 3.44Å; K233-F251 PolarHBondContact NZ-O 2.88Å; T249-F251 HydrophobicContact CG2-CE2 3.76Å; T249-F251 HydrophobicContact CG2-CZ 3.77Å; F251-I1761 HydrophobicContact CD2-CG2 4.18Å; F251-I1761 HydrophobicContact CE1-CG2 4.17Å; F251-I1761 HydrophobicContact CE2-CG2 3.29Å; F251-I1761 HydrophobicContact CZ-CD1 4.22Å; F251-I1761 HydrophobicContact CZ-CG2 3.29Å |
| 252 | F | 82.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 137.2 | 175.5 | -53.3 | -89.4 | 0 | 0 | 0 | 108.3 | Q204 I205 V207 I226 C228 E231 K233 F250 F254 | Q204-F252 CarbonylContact C-O 3.57Å; Q204-F252 WeakPolarHBondContact CA-O 3.4Å; I205-F252 HydrophobicContact CB-CB 4.39Å; I205-F252 PolarHBondContact N-O 3.47Å; I205-F252 PolarHBondContact O-N 3.35Å; V207-F252 HydrophobicContact CB-CE2 4.43Å; V207-F252 HydrophobicContact CG2-CD2 4.27Å; V207-F252 HydrophobicContact CG2-CE2 4.03Å; I226-F252 HydrophobicContact CB-CE2 4.5Å; I226-F252 HydrophobicContact CB-CZ 4.13Å; I226-F252 HydrophobicContact CG2-CE2 3.77Å; I226-F252 HydrophobicContact CG2-CZ 3.77Å; C228-F252 HydrophobicContact CB-CB 4.01Å; C228-F252 HydrophobicContact CB-CD1 3.62Å; C228-F252 HydrophobicContact CB-CD2 3.64Å; C228-F252 HydrophobicContact CB-CE1 3.89Å; C228-F252 HydrophobicContact CB-CE2 3.93Å; C228-F252 HydrophobicContact CB-CG 3.48Å; C228-F252 VanDerWaalsContact CB-CG 3.48Å; C228-F252 HydrophobicContact CB-CZ 4.04Å; E231-F252 HydrophobicContact CB-CD1 3.7Å; E231-F252 HydrophobicContact CB-CE1 3.93Å; E231-F252 WeakPolarHBondContact OE2-CD1 3.29Å; K233-F252 HydrophobicContact CB-CZ 4.46Å; K233-F252 HydrophobicContact CD-CE1 4.31Å; K233-F252 HydrophobicContact CD-CZ 4.44Å; K233-F252 HydrophobicContact CG-CE1 4.15Å; K233-F252 HydrophobicContact CG-CZ 4.31Å; F250-F252 HydrophobicContact CB-CE2 4.36Å; F252-F254 HydrophobicContact CB-CE2 3.66Å; F252-F254 HydrophobicContact CB-CZ 3.91Å |
| 253 | N | 79.2 | Confident | 80.4 | Confident | 28 Ų | 28 | 35.3 Ų | 35.3 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.5 | -175 | -54.9 | -39.2 | 0 | 0 | 0 | 110.6 | F203 Q204 L1566 P1568 L1599 | F203-N253 WeakPolarHBondContact O-CA 3.31Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.45Å; Q204-N253 PolarHBondContact NE2-OD1 2.9Å; N253-L1566 PolarHBondContact ND2-O 3.18Å; N253-P1568 WeakPolarHBondContact OD1-CD 3.23Å; N253-L1599 HydrophobicContact CB-CD1 3.65Å |
| 254 | F | 80.4 | Confident | 80.7 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 132.1 | -172.6 | -60.7 | -62.6 | 0 | 0 | 0 | 114 | D202 F203 I205 C228 W229 F252 | D202-F254 CarbonylContact C-O 3.5Å; D202-F254 VanDerWaalsContact CA-O 3.29Å; D202-F254 WeakPolarHBondContact CA-O 3.32Å; F203-F254 PolarHBondContact N-O 3.08Å; F203-F254 PolarHBondContact O-N 3.27Å; I205-F254 HydrophobicContact CD1-CD2 3.85Å; I205-F254 HydrophobicContact CD1-CE2 3.91Å; C228-F254 HydrophobicContact CB-CE2 4.28Å; C228-F254 HydrophobicContact CB-CZ 4.31Å; W229-F254 HydrophobicContact CB-CE1 4.24Å; W229-F254 HydrophobicContact CB-CZ 3.97Å; W229-F254 HydrophobicContact CD2-CD1 4.47Å; W229-F254 HydrophobicContact CD2-CE1 4.42Å; W229-F254 HydrophobicContact CE3-CB 4.26Å; W229-F254 AromaticContact CE3-CD1 3.34Å; W229-F254 HydrophobicContact CE3-CD1 3.34Å; W229-F254 HydrophobicContact CE3-CD2 4.29Å; W229-F254 AromaticContact CE3-CE1 3.65Å; W229-F254 HydrophobicContact CE3-CE1 3.65Å; W229-F254 AromaticContact CE3-CG 3.7Å; W229-F254 HydrophobicContact CE3-CG 3.7Å; W229-F254 HydrophobicContact CE3-CZ 4.24Å; W229-F254 HydrophobicContact CZ3-CB 4.01Å; W229-F254 AromaticContact CZ3-CD1 3.72Å; W229-F254 HydrophobicContact CZ3-CD1 3.72Å; W229-F254 HydrophobicContact CZ3-CE1 4.44Å; W229-F254 AromaticContact CZ3-CG 3.95Å; W229-F254 HydrophobicContact CZ3-CG 3.95Å; F252-F254 HydrophobicContact CB-CE2 3.66Å; F252-F254 HydrophobicContact CB-CZ 3.91Å |
| 255 | F | 75.9 | Confident | 80.9 | Confident | 110 Ų | 110 | 38.9 Ų | 38.9 | 48% | 0.482 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 101.7 | 168.4 | -174.3 | -151 | 0 | 0 | 0 | 111.2 | K200 Q201 D202 | K200-F255 HydrophobicContact CB-CD2 4.2Å; K200-F255 HydrophobicContact CB-CE2 3.73Å; K200-F255 HydrophobicContact CB-CZ 4Å; Q201-F255 WeakPolarHBondContact O-CD2 3.28Å; D202-F255 WeakPolarHBondContact OD1-CA 3.15Å; D202-F255 WeakPolarHBondContact OD1-CB 3.42Å; D202-F255 PolarHBondContact OD1-N 3.35Å; D202-F255 WeakPolarHBondContact OD2-CD2 3.41Å; D202-F255 VanDerWaalsContact OD2-CE2 3.25Å; D202-F255 WeakPolarHBondContact OD2-CE2 3.17Å |
| 256 | D | 76.4 | Confident | 81.2 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 171.8 | 172 | -138.8 | -41.1 | 0 | 0 | 0 | 114 | K200 Q201 W229 M261 | K200-D256 IonicContact NZ-OD1 2.83Å; K200-D256 PolarHBondContact NZ-OD1 3.09Å; K200-D256 IonicContact NZ-OD2 2.68Å; Q201-D256 CarbonylContact C-O 3.56Å; Q201-D256 PolarHBondContact N-O 2.77Å; Q201-D256 CarbonylContact O-C 3.53Å; Q201-D256 PolarHBondContact O-N 2.89Å; W229-D256 HydrophobicContact CH2-CB 4.31Å; W229-D256 WeakPolarHBondContact CH2-OD2 3.18Å; D256-M261 HydrophobicContact CB-CB 4.3Å |
| 257 | S | 79.1 | Confident | 81.5 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 144.7 | 173.1 | 68.5 | 0 | 0 | 0 | 0 | 109.3 | T198 K199 A259 E260 M261 | T198-S257 WeakPolarHBondContact O-CB 3.44Å; K199-S257 WeakPolarHBondContact O-CA 3.37Å; S257-A259 PolarHBondContact O-N 3.02Å; S257-A259 VanDerWaalsContact O-N 3.13Å; S257-E260 PolarHBondContact O-N 3Å; S257-E260 WeakPolarHBondContact OG-CB 3.14Å; S257-E260 WeakPolarHBondContact OG-CG 3.49Å; S257-E260 PolarHBondContact OG-N 3.06Å; S257-M261 WeakPolarHBondContact O-CB 3.5Å; S257-M261 PolarHBondContact O-N 2.6Å |
| 258 | A | 76.2 | Confident | 82 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.9 | -34.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S197 F203 L262 | S197-A258 PolarHBondContact O-N 3.4Å; S197-A258 VanDerWaalsContact O-N 3.11Å; F203-A258 HydrophobicContact CZ-CB 4.04Å; A258-L262 HydrophobicContact CB-CD1 4.08Å; A258-L262 WeakPolarHBondContact O-CB 3.41Å; A258-L262 WeakPolarHBondContact O-CD1 3.34Å; A258-L262 WeakPolarHBondContact O-CG 3.42Å; A258-L262 PolarHBondContact O-N 3.44Å |
| 259 | A | 77.7 | Confident | 82.6 | Confident | 30 Ų | 30 | 30.9 Ų | 30.9 | 25% | 0.248 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S197 T198 S257 | S197-A259 PolarHBondContact O-N 2.89Å; T198-A259 HydrophobicContact CG2-CB 4.14Å; S257-A259 PolarHBondContact O-N 3.02Å; S257-A259 VanDerWaalsContact O-N 3.13Å |
| 260 | E | 79.9 | Confident | 83.1 | Confident | 97 Ų | 97 | 28.7 Ų | 28.7 | 45% | 0.453 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -86.2 | -34.3 | -179.6 | -72 | -179.1 | 130.4 | 0 | 0 | 112.9 | K200 S257 Q264 | K200-E260 IonicContact NZ-OE2 2.84Å; K200-E260 PolarHBondContact NZ-OE2 2.83Å; S257-E260 PolarHBondContact O-N 3Å; S257-E260 WeakPolarHBondContact OG-CB 3.14Å; S257-E260 WeakPolarHBondContact OG-CG 3.49Å; S257-E260 PolarHBondContact OG-N 3.06Å; E260-Q264 WeakPolarHBondContact O-CG 3.49Å; E260-Q264 PolarHBondContact O-NE2 3.48Å |
| 261 | M | 82.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -74 | -44.8 | 179.3 | -174.5 | -79.2 | -81.7 | 0 | 0 | 112.4 | F203 I205 D256 S257 D263 Q264 L289 I327 | F203-M261 HydrophobicContact CB-CE 3.63Å; F203-M261 HydrophobicContact CD1-CE 3.53Å; F203-M261 HydrophobicContact CD2-CE 3.61Å; F203-M261 HydrophobicContact CD2-CG 4.35Å; F203-M261 HydrophobicContact CE1-CE 4.04Å; F203-M261 HydrophobicContact CE2-CE 4.11Å; F203-M261 HydrophobicContact CG-CE 3.29Å; F203-M261 HydrophobicContact CZ-CE 4.31Å; I205-M261 HydrophobicContact CD1-SD 4.36Å; D256-M261 HydrophobicContact CB-CB 4.3Å; S257-M261 WeakPolarHBondContact O-CB 3.5Å; S257-M261 PolarHBondContact O-N 2.6Å; M261-D263 PolarHBondContact O-N 3.3Å; M261-Q264 VanDerWaalsContact O-CB 3.27Å; M261-Q264 WeakPolarHBondContact O-CB 3.47Å; M261-Q264 WeakPolarHBondContact O-CG 3.37Å; M261-Q264 PolarHBondContact O-N 3.48Å; M261-L289 HydrophobicContact SD-CB 3.93Å; M261-L289 HydrophobicContact SD-CD1 3.61Å; M261-L289 HydrophobicContact SD-CG 4.41Å; M261-I327 HydrophobicContact CE-CG2 4.01Å |
| 262 | L | 82.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -14.6 | -174.9 | -61.6 | 175.8 | 0 | 0 | 0 | 113.7 | Y196 A258 L289 S290 Y293 | Y196-L262 HydrophobicContact CD1-CD1 3.74Å; Y196-L262 HydrophobicContact CD2-CD1 4.27Å; Y196-L262 HydrophobicContact CE1-CD1 3.89Å; Y196-L262 HydrophobicContact CE2-CD1 4.37Å; Y196-L262 HydrophobicContact CG-CD1 3.99Å; A258-L262 HydrophobicContact CB-CD1 4.08Å; A258-L262 WeakPolarHBondContact O-CB 3.41Å; A258-L262 WeakPolarHBondContact O-CD1 3.34Å; A258-L262 WeakPolarHBondContact O-CG 3.42Å; A258-L262 PolarHBondContact O-N 3.44Å; L262-L289 HydrophobicContact CD2-CB 4.38Å; L262-S290 WeakPolarHBondContact O-CB 3.5Å; L262-S290 PolarHBondContact O-N 3.28Å; L262-S290 PolarHBondContact O-OG 3.42Å; L262-Y293 HydrophobicContact CD1-CD1 3.84Å; L262-Y293 HydrophobicContact CD1-CE1 4.42Å; L262-Y293 HydrophobicContact CD1-CG 4.04Å; L262-Y293 VanDerWaalsContact CD2-CB 3.45Å; L262-Y293 HydrophobicContact CD2-CD1 4.35Å; L262-Y293 HydrophobicContact CD2-CD2 4.01Å; L262-Y293 HydrophobicContact CD2-CG 3.69Å |
| 263 | D | 81 | Confident | 83.3 | Confident | 76 Ų | 76 | 32.5 Ų | 32.5 | 41% | 0.406 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.1 | 167.5 | -90.8 | -16.8 | 0 | 0 | 0 | 112.1 | R193 M261 | R193-D263 IonicContact CZ-OD1 2.78Å; R193-D263 IonicContact NH1-OD1 3.82Å; R193-D263 PolarHBondContact NH1-OD1 2.94Å; R193-D263 IonicContact NH1-OD2 3.76Å; R193-D263 PolarHBondContact NH1-OD2 3.39Å; R193-D263 IonicContact NH2-OD1 3.31Å; R193-D263 PolarHBondContact NH2-OD1 2.91Å; M261-D263 PolarHBondContact O-N 3.3Å |
| 264 | Q | 86.5 | Confident | 82.9 | Confident | 55 Ų | 55 | 36.4 Ų | 36.4 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -87 | 160.1 | 172.4 | -53.7 | -52.7 | -51.8 | 0 | 0 | 112.7 | W229 E260 M261 D288 L289 | W229-Q264 HydrophobicContact CB-CB 4.49Å; W229-Q264 HydrophobicContact CD2-CG 3.9Å; W229-Q264 HydrophobicContact CE3-CG 4.44Å; W229-Q264 HydrophobicContact CG-CB 4.27Å; W229-Q264 HydrophobicContact CG-CG 4.01Å; W229-Q264 HydrophobicContact CZ2-CG 4.3Å; E260-Q264 WeakPolarHBondContact O-CG 3.49Å; E260-Q264 PolarHBondContact O-NE2 3.48Å; M261-Q264 VanDerWaalsContact O-CB 3.27Å; M261-Q264 WeakPolarHBondContact O-CB 3.47Å; M261-Q264 WeakPolarHBondContact O-CG 3.37Å; M261-Q264 PolarHBondContact O-N 3.48Å; Q264-D288 WeakPolarHBondContact O-CA 3.49Å; Q264-L289 HydrophobicContact CB-CD1 4.18Å; Q264-L289 WeakPolarHBondContact O-CG 3.33Å; Q264-L289 PolarHBondContact O-N 2.98Å |
| 265 | Q | 86.4 | Confident | 82.2 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 141.3 | -174 | -42.8 | -153.5 | -67.3 | 0 | 0 | 113.3 | W229 V267 F287 D288 | W229-Q265 PolarHBondContact N-O 2.94Å; Q265-V267 HydrophobicContact CB-CG2 4.48Å; Q265-F287 WeakPolarHBondContact CA-O 3.47Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.37Å; Q265-D288 PolarHBondContact NE2-OD1 2.62Å |
| 266 | L | 89.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.5 | 162.7 | -178.2 | 64.3 | 0 | 0 | 0 | 108.9 | V207 I226 C228 F268 K286 F287 L289 V325 | V207-L266 HydrophobicContact CG2-CD1 4.19Å; V207-L266 HydrophobicContact CG2-CD2 3.87Å; I226-L266 HydrophobicContact CG2-CD1 3.83Å; C228-L266 HydrophobicContact CB-CD1 3.56Å; L266-F268 HydrophobicContact CD1-CE2 4.5Å; L266-F268 HydrophobicContact CD2-CE2 3.65Å; L266-F268 HydrophobicContact CD2-CZ 3.82Å; L266-F268 HydrophobicContact CG-CD2 4.44Å; L266-F268 HydrophobicContact CG-CE2 3.64Å; L266-F268 HydrophobicContact CG-CZ 4.12Å; L266-K286 VanDerWaalsContact O-CA 3.25Å; L266-K286 WeakPolarHBondContact O-CA 3.35Å; L266-F287 HydrophobicContact CB-CE2 4.36Å; L266-F287 HydrophobicContact CB-CZ 4.34Å; L266-F287 HydrophobicContact CD2-CE1 4.4Å; L266-F287 HydrophobicContact CD2-CE2 4.25Å; L266-F287 HydrophobicContact CD2-CZ 3.76Å; L266-F287 HydrophobicContact CG-CZ 4.39Å; L266-F287 PolarHBondContact N-O 2.95Å; L266-F287 PolarHBondContact O-N 3.14Å; L266-F287 VanDerWaalsContact O-N 3.12Å; L266-L289 HydrophobicContact CB-CD2 3.84Å; L266-V325 HydrophobicContact CD2-CG1 3.91Å; L266-V325 HydrophobicContact CD2-CG2 3.96Å |
| 267 | V | 91.4 | Very high | 80.6 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132 | -173.3 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | I226 T227 Q265 F285 K286 | I226-V267 CarbonylContact C-O 3.57Å; I226-V267 WeakPolarHBondContact CA-O 3.27Å; T227-V267 PolarHBondContact N-O 3.39Å; T227-V267 PolarHBondContact O-N 2.87Å; Q265-V267 HydrophobicContact CB-CG2 4.48Å; V267-F285 CarbonylContact C-O 3.46Å; V267-F285 WeakPolarHBondContact CA-O 3.39Å; V267-K286 HydrophobicContact CB-CB 4.25Å; V267-K286 HydrophobicContact CG1-CB 4.23Å; V267-K286 HydrophobicContact CG2-CB 3.83Å; V267-K286 HydrophobicContact CG2-CD 4.49Å |
| 268 | F | 93.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.5 | 171.5 | -64.7 | -98.3 | 0 | 0 | 0 | 108.4 | V207 V209 K225 I226 L266 S284 F285 F287 L305 L321 I323 V325 | V207-F268 HydrophobicContact CG1-CE1 3.37Å; V207-F268 HydrophobicContact CG1-CZ 3.46Å; V207-F268 VanDerWaalsContact CG1-CZ 3.46Å; V209-F268 HydrophobicContact CG2-CE1 4.3Å; K225-F268 CarbonylContact O-C 3.51Å; I226-F268 HydrophobicContact CG1-CD1 3.97Å; I226-F268 HydrophobicContact CG1-CE1 3.94Å; I226-F268 HydrophobicContact CG2-CD1 4.36Å; I226-F268 HydrophobicContact CG2-CE1 4.05Å; I226-F268 HydrophobicContact CG2-CZ 4.33Å; L266-F268 HydrophobicContact CD1-CE2 4.5Å; L266-F268 HydrophobicContact CD2-CE2 3.65Å; L266-F268 HydrophobicContact CD2-CZ 3.82Å; L266-F268 HydrophobicContact CG-CD2 4.44Å; L266-F268 HydrophobicContact CG-CE2 3.64Å; L266-F268 HydrophobicContact CG-CZ 4.12Å; F268-S284 CarbonylContact O-C 3.59Å; F268-S284 WeakPolarHBondContact O-CA 3.45Å; F268-S284 WeakPolarHBondContact O-CB 3.12Å; F268-S284 PolarHBondContact O-OG 3.01Å; F268-F285 PolarHBondContact N-O 2.81Å; F268-F285 PolarHBondContact O-N 2.9Å; F268-F287 HydrophobicContact CD2-CE1 4.27Å; F268-F287 AromaticContact CE2-CE1 3.74Å; F268-F287 HydrophobicContact CE2-CE1 3.74Å; F268-F287 HydrophobicContact CE2-CZ 4.2Å; F268-L305 HydrophobicContact CB-CD1 4.06Å; F268-L305 HydrophobicContact CD1-CD1 4.28Å; F268-L305 HydrophobicContact CD2-CD1 3.41Å; F268-L305 VanDerWaalsContact CD2-CD1 3.41Å; F268-L305 HydrophobicContact CE2-CD1 3.87Å; F268-L305 HydrophobicContact CG-CD1 3.65Å; F268-L305 HydrophobicContact CZ-CD1 4.47Å; F268-L321 HydrophobicContact CB-CD2 3.97Å; F268-L321 HydrophobicContact CD1-CD2 3.68Å; F268-L321 HydrophobicContact CG-CD2 4.09Å; F268-I323 HydrophobicContact CD1-CG2 4.17Å; F268-I323 HydrophobicContact CE1-CB 4.43Å; F268-I323 HydrophobicContact CE1-CD1 4Å; F268-I323 HydrophobicContact CE1-CG2 3.81Å; F268-I323 HydrophobicContact CE2-CD1 3.71Å; F268-I323 HydrophobicContact CZ-CD1 3.39Å; F268-I323 HydrophobicContact CZ-CG2 4.33Å; F268-V325 HydrophobicContact CZ-CG2 4.23Å |
| 269 | T | 91.3 | Very high | 78.8 | Confident | 13 Ų | 13 | 70.2 Ų | 70.2 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 126.6 | -177.7 | -49.7 | 0 | 0 | 0 | 0 | 109.5 | K225 Y271 L281 G283 S284 | K225-T269 PolarHBondContact N-O 3.23Å; K225-T269 PolarHBondContact O-N 2.91Å; T269-Y271 HydrophobicContact CG2-CD2 4.36Å; T269-Y271 HydrophobicContact CG2-CE1 4.04Å; T269-Y271 HydrophobicContact CG2-CE2 3.65Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.46Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.23Å; T269-L281 HydrophobicContact CG2-CD1 3.3Å; T269-G283 CarbonylContact C-O 3.47Å; T269-G283 WeakPolarHBondContact CA-O 3.42Å; T269-S284 PolarHBondContact OG1-OG 2.85Å; T269-S284 VanDerWaalsContact OG1-OG 3.09Å |
| 270 | V | 91 | Very high | 78.9 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.3 | -178.8 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | L215 P222 I223 C224 I282 G283 L307 L321 | L215-V270 HydrophobicContact CD1-CG1 3.89Å; L215-V270 HydrophobicContact CD2-CB 4.46Å; L215-V270 HydrophobicContact CD2-CG1 4.06Å; P222-V270 HydrophobicContact CB-CG1 4.14Å; I223-V270 CarbonylContact O-C 3.56Å; I223-V270 WeakPolarHBondContact O-CA 3.35Å; C224-V270 HydrophobicContact CB-CG2 4.3Å; V270-I282 HydrophobicContact CG1-CD1 4.13Å; V270-I282 WeakPolarHBondContact O-CB 3.35Å; V270-I282 PolarHBondContact O-N 2.92Å; V270-G283 PolarHBondContact N-O 2.82Å; V270-G283 PolarHBondContact O-N 2.84Å; V270-L307 HydrophobicContact CB-CD1 4.23Å; V270-L307 HydrophobicContact CG2-CD1 3.68Å; V270-L307 HydrophobicContact CG2-CD2 4.4Å; V270-L321 HydrophobicContact CG2-CD1 4.49Å |
| 271 | Y | 88.5 | Confident | 79.1 | Confident | 67 Ų | 67 | 67.6 Ų | 67.6 | 26% | 0.263 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.8 | -178.2 | -57.2 | -87.4 | 0 | 0 | 0 | 112 | P222 I223 K225 T269 S280 L281 | P222-Y271 CarbonylContact C-O 3.52Å; P222-Y271 VanDerWaalsContact CA-O 3.29Å; P222-Y271 WeakPolarHBondContact CA-O 3.36Å; I223-Y271 PolarHBondContact N-O 2.99Å; I223-Y271 PolarHBondContact O-N 2.75Å; K225-Y271 HydrophobicContact CB-CD2 4.35Å; K225-Y271 HydrophobicContact CB-CE2 3.84Å; K225-Y271 HydrophobicContact CD-CE2 4.09Å; T269-Y271 HydrophobicContact CG2-CD2 4.36Å; T269-Y271 HydrophobicContact CG2-CE1 4.04Å; T269-Y271 HydrophobicContact CG2-CE2 3.65Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.46Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.23Å; Y271-S280 CarbonylContact C-O 3.33Å; Y271-S280 WeakPolarHBondContact CA-O 3.45Å; Y271-S280 WeakPolarHBondContact CD1-OG 2.91Å; Y271-L281 HydrophobicContact CD1-CB 4.19Å; Y271-L281 HydrophobicContact CD1-CD1 4.32Å; Y271-L281 HydrophobicContact CE1-CB 4.18Å; Y271-L281 HydrophobicContact CE1-CD1 4.03Å |
| 272 | D | 83.2 | Confident | 79.1 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 111.2 | 163.4 | -178.9 | 5.5 | 0 | 0 | 0 | 109.3 | I220 S221 R274 R275 S280 I282 | I220-D272 HydrophobicContact CB-CB 4.13Å; I220-D272 HydrophobicContact CG2-CB 4.07Å; I220-D272 WeakPolarHBondContact CG2-OD2 3.47Å; S221-D272 PolarHBondContact N-OD1 3Å; D272-R274 PolarHBondContact O-N 3.24Å; D272-R274 VanDerWaalsContact O-N 3.12Å; D272-R274 WeakPolarHBondContact OD1-CB 3.35Å; D272-R274 PolarHBondContact OD1-N 2.7Å; D272-R274 VanDerWaalsContact OD1-N 3.11Å; D272-R274 IonicContact OD1-NE 2.87Å; D272-R274 PolarHBondContact OD1-NE 3.49Å; D272-R274 IonicContact OD2-CZ 3.08Å; D272-R274 IonicContact OD2-NE 2.93Å; D272-R274 IonicContact OD2-NH2 3.3Å; D272-R274 PolarHBondContact OD2-NH2 3.05Å; D272-R274 VanDerWaalsContact OD2-NH2 3.09Å; D272-R275 HydrophobicContact CB-CG 4.33Å; D272-R275 PolarHBondContact O-N 2.8Å; D272-R275 VanDerWaalsContact O-N 3.14Å; D272-R275 IonicContact OD2-NE 3.55Å; D272-S280 PolarHBondContact N-O 2.89Å; D272-S280 WeakPolarHBondContact O-CB 3.26Å; D272-I282 HydrophobicContact CB-CD1 4.19Å |
| 273 | S | 77.6 | Confident | 79.3 | Confident | 58 Ų | 58 | 68.3 Ų | 68.3 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.3 | -177 | 77.5 | 0 | 0 | 0 | 0 | 114.3 | S221 V237 | S221-S273 WeakPolarHBondContact CB-OG 3.37Å; S221-S273 WeakPolarHBondContact O-CB 3.37Å; S221-S273 PolarHBondContact O-N 3.29Å; S221-S273 PolarHBondContact O-OG 2.91Å; V237-S273 VanDerWaalsContact CG1-OG 3.22Å; V237-S273 WeakPolarHBondContact CG1-OG 3.48Å |
| 274 | R | 69.7 | Low | 79.7 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 42% | 0.415 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.2 | 175.8 | -60.3 | 176.5 | -55.3 | 152.6 | 17.3 | 113 | A218 N219 S221 D272 | A218-R274 PolarHBondContact O-NH2 2.72Å; N219-R274 VanDerWaalsContact C-CZ 3.5Å; N219-R274 VanDerWaalsContact C-NH2 3.3Å; N219-R274 PolarHBondContact ND2-NH1 2.66Å; N219-R274 PolarHBondContact O-NE 3.15Å; N219-R274 PolarHBondContact O-NH1 2.86Å; N219-R274 PolarHBondContact O-NH2 2.7Å; N219-R274 VanDerWaalsContact O-NH2 3.1Å; S221-R274 VanDerWaalsContact OG-CD 3.28Å; S221-R274 WeakPolarHBondContact OG-CD 3.11Å; S221-R274 WeakPolarHBondContact OG-CG 3.2Å; D272-R274 PolarHBondContact O-N 3.24Å; D272-R274 VanDerWaalsContact O-N 3.12Å; D272-R274 WeakPolarHBondContact OD1-CB 3.35Å; D272-R274 PolarHBondContact OD1-N 2.7Å; D272-R274 VanDerWaalsContact OD1-N 3.11Å; D272-R274 IonicContact OD1-NE 2.87Å; D272-R274 PolarHBondContact OD1-NE 3.49Å; D272-R274 IonicContact OD2-CZ 3.08Å; D272-R274 IonicContact OD2-NE 2.93Å; D272-R274 IonicContact OD2-NH2 3.3Å; D272-R274 PolarHBondContact OD2-NH2 3.05Å; D272-R274 VanDerWaalsContact OD2-NH2 3.09Å |
| 275 | R | 65.7 | Low | 79.9 | Confident | 139 Ų | 139 | 62.8 Ų | 62.8 | 53% | 0.525 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -98.6 | 152.8 | -177.8 | -69 | -173.4 | 178.1 | -167.1 | -3.6 | 111.8 | D272 D279 | D272-R275 HydrophobicContact CB-CG 4.33Å; D272-R275 PolarHBondContact O-N 2.8Å; D272-R275 VanDerWaalsContact O-N 3.14Å; D272-R275 IonicContact OD2-NE 3.55Å; R275-D279 WeakPolarHBondContact CD-O 3.42Å; R275-D279 PolarHBondContact NH1-O 3.1Å |
| 276 | L | 57.5 | Low | 80 | Confident | 150 Ų | 150 | 65 Ų | 65 | 79% | 0.785 | 29% | 0.29 | S | S | * | . | trans | -70.7 | 150.7 | 173 | -69 | 167 | 0 | 0 | 0 | 110.8 | R278 D279 S280 | L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 3.05Å; L276-D279 PolarHBondContact O-N 3.45Å; L276-S280 PolarHBondContact O-N 3Å | ||
| 277 | R | 62.8 | Low | 79.9 | Confident | 232 Ų | 232 | 65.7 Ų | 65.7 | 88% | 0.875 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | -41.1 | -158.8 | -72.7 | -175.2 | 178.1 | 173.3 | 0 | 116.7 | S280 | R277-S280 PolarHBondContact O-OG 3.37Š|
| 278 | R | 55.8 | Low | 79.7 | Confident | 234 Ų | 234 | 66.8 Ų | 66.8 | 88% | 0.883 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -42.5 | -177.7 | -72.7 | -172.5 | 179.1 | 175.4 | -0.1 | 112.6 | L276 S280 | L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 3.05Å; R278-S280 VanDerWaalsContact C-N 3.29Å; R278-S280 PolarHBondContact O-N 3.44Å |
| 279 | D | 60.7 | Low | 79.4 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 60% | 0.599 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 1.5 | -172.9 | -43.2 | -34 | 0 | 0 | 0 | 112.2 | R275 L276 | R275-D279 WeakPolarHBondContact CD-O 3.42Å; R275-D279 PolarHBondContact NH1-O 3.1Å; L276-D279 PolarHBondContact O-N 3.45Å |
| 280 | S | 79.1 | Confident | 79 | Confident | 11 Ų | 11 | 67 Ų | 67 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -19.6 | -178.8 | 71 | 0 | 0 | 0 | 0 | 114.5 | Y271 D272 L276 R277 R278 I282 | Y271-S280 CarbonylContact C-O 3.33Å; Y271-S280 WeakPolarHBondContact CA-O 3.45Å; Y271-S280 WeakPolarHBondContact CD1-OG 2.91Å; D272-S280 PolarHBondContact N-O 2.89Å; D272-S280 WeakPolarHBondContact O-CB 3.26Å; L276-S280 PolarHBondContact O-N 3Å; R277-S280 PolarHBondContact O-OG 3.37Å; R278-S280 VanDerWaalsContact C-N 3.29Å; R278-S280 PolarHBondContact O-N 3.44Å; S280-I282 PolarHBondContact O-N 2.88Å |
| 281 | L | 84.5 | Confident | 78.6 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 121.9 | -177.8 | 176.4 | 61.4 | 0 | 0 | 0 | 111.1 | T269 Y271 P310 | T269-L281 HydrophobicContact CG2-CD1 3.3Å; Y271-L281 HydrophobicContact CD1-CB 4.19Å; Y271-L281 HydrophobicContact CD1-CD1 4.32Å; Y271-L281 HydrophobicContact CE1-CB 4.18Å; Y271-L281 HydrophobicContact CE1-CD1 4.03Å; L281-P310 HydrophobicContact CD2-CG 4.11Å |
| 282 | I | 83.4 | Confident | 78.4 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -53.7 | 172.3 | -64.3 | 162.5 | 0 | 0 | 0 | 109.4 | L215 Q216 I220 V270 D272 S280 K318 | L215-I282 HydrophobicContact CB-CG2 4.31Å; L215-I282 HydrophobicContact CD2-CG2 4.4Å; Q216-I282 HydrophobicContact CB-CG2 4.33Å; I220-I282 HydrophobicContact CB-CD1 4.5Å; I220-I282 HydrophobicContact CD1-CD1 3.52Å; V270-I282 HydrophobicContact CG1-CD1 4.13Å; V270-I282 WeakPolarHBondContact O-CB 3.35Å; V270-I282 PolarHBondContact O-N 2.92Å; D272-I282 HydrophobicContact CB-CD1 4.19Å; S280-I282 PolarHBondContact O-N 2.88Å; I282-K318 VanDerWaalsContact O-CB 3.32Å; I282-K318 WeakPolarHBondContact O-CB 3.5Å; I282-K318 WeakPolarHBondContact O-CG 3.33Å |
| 283 | G | 86.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | 166.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T269 V270 C308 | T269-G283 CarbonylContact C-O 3.47Å; T269-G283 WeakPolarHBondContact CA-O 3.42Å; V270-G283 PolarHBondContact N-O 2.82Å; V270-G283 PolarHBondContact O-N 2.84Å; G283-C308 CarbonylContact C-O 3.56Å; G283-C308 WeakPolarHBondContact CA-O 3.38Å |
| 284 | S | 88.9 | Confident | 78.6 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 152.9 | -177.8 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | F268 T269 C308 | F268-S284 CarbonylContact O-C 3.59Å; F268-S284 WeakPolarHBondContact O-CA 3.45Å; F268-S284 WeakPolarHBondContact O-CB 3.12Å; F268-S284 PolarHBondContact O-OG 3.01Å; T269-S284 PolarHBondContact OG1-OG 2.85Å; T269-S284 VanDerWaalsContact OG1-OG 3.09Å; S284-C308 PolarHBondContact N-O 2.82Å; S284-C308 PolarHBondContact O-N 2.96Å; S284-C308 VanDerWaalsContact O-O 3.13Å; S284-C308 PolarHBondContact O-SG 3.28Å |
| 285 | F | 90.6 | Very high | 79.2 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 144 | 169.8 | -173.7 | -95.9 | 0 | 0 | 0 | 109 | V267 F268 F287 L305 L306 L307 L353 P355 | V267-F285 CarbonylContact C-O 3.46Å; V267-F285 WeakPolarHBondContact CA-O 3.39Å; F268-F285 PolarHBondContact N-O 2.81Å; F268-F285 PolarHBondContact O-N 2.9Å; F285-F287 AromaticContact CD1-CD1 3.63Å; F285-F287 HydrophobicContact CD1-CD1 3.63Å; F285-F287 HydrophobicContact CD1-CE1 4.14Å; F285-F287 HydrophobicContact CE1-CB 4.21Å; F285-F287 AromaticContact CE1-CD1 3.37Å; F285-F287 HydrophobicContact CE1-CD1 3.37Å; F285-F287 HydrophobicContact CE1-CE1 4.04Å; F285-F287 HydrophobicContact CE1-CG 4.17Å; F285-L305 HydrophobicContact CB-CB 4.04Å; F285-L305 HydrophobicContact CB-CD1 4Å; F285-L305 HydrophobicContact CD1-CB 3.93Å; F285-L305 HydrophobicContact CD1-CD1 3.64Å; F285-L305 HydrophobicContact CD1-CD2 3.77Å; F285-L305 HydrophobicContact CD1-CG 3.97Å; F285-L305 HydrophobicContact CD2-CB 4.18Å; F285-L305 HydrophobicContact CE1-CB 4.4Å; F285-L305 HydrophobicContact CE1-CD1 4.42Å; F285-L305 HydrophobicContact CE1-CD2 3.68Å; F285-L305 HydrophobicContact CE1-CG 4.38Å; F285-L305 HydrophobicContact CG-CB 3.81Å; F285-L305 HydrophobicContact CG-CD1 4.05Å; F285-L305 HydrophobicContact CG-CD2 4.5Å; F285-L305 HydrophobicContact CG-CG 4.34Å; F285-L305 HydrophobicContact CZ-CD2 4.34Å; F285-L306 WeakPolarHBondContact CD2-O 3.39Å; F285-L307 HydrophobicContact CB-CD2 4.11Å; F285-L353 HydrophobicContact CE1-CB 4.27Å; F285-L353 WeakPolarHBondContact CE2-O 3.45Å; F285-L353 HydrophobicContact CZ-CB 3.75Å; F285-P355 HydrophobicContact CD2-CG 3.81Å; F285-P355 HydrophobicContact CE2-CB 4.49Å; F285-P355 HydrophobicContact CE2-CG 3.79Å |
| 286 | K | 88.9 | Confident | 79.7 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149.1 | 174.7 | 67.2 | 179.2 | -166.6 | 157.3 | 0 | 112.6 | L266 V267 | L266-K286 VanDerWaalsContact O-CA 3.25Å; L266-K286 WeakPolarHBondContact O-CA 3.35Å; V267-K286 HydrophobicContact CB-CB 4.25Å; V267-K286 HydrophobicContact CG1-CB 4.23Å; V267-K286 HydrophobicContact CG2-CB 3.83Å; V267-K286 HydrophobicContact CG2-CD 4.49Å |
| 287 | F | 87.5 | Confident | 80.5 | Confident | 15 Ų | 15 | 70.8 Ų | 70.8 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 159.5 | 178.4 | 60 | -87.8 | 0 | 0 | 0 | 111.1 | Q265 L266 F268 F285 I291 V292 M300 L305 V325 | Q265-F287 WeakPolarHBondContact CA-O 3.47Å; L266-F287 HydrophobicContact CB-CE2 4.36Å; L266-F287 HydrophobicContact CB-CZ 4.34Å; L266-F287 HydrophobicContact CD2-CE1 4.4Å; L266-F287 HydrophobicContact CD2-CE2 4.25Å; L266-F287 HydrophobicContact CD2-CZ 3.76Å; L266-F287 HydrophobicContact CG-CZ 4.39Å; L266-F287 PolarHBondContact N-O 2.95Å; L266-F287 PolarHBondContact O-N 3.14Å; L266-F287 VanDerWaalsContact O-N 3.12Å; F268-F287 HydrophobicContact CD2-CE1 4.27Å; F268-F287 AromaticContact CE2-CE1 3.74Å; F268-F287 HydrophobicContact CE2-CE1 3.74Å; F268-F287 HydrophobicContact CE2-CZ 4.2Å; F285-F287 AromaticContact CD1-CD1 3.63Å; F285-F287 HydrophobicContact CD1-CD1 3.63Å; F285-F287 HydrophobicContact CD1-CE1 4.14Å; F285-F287 HydrophobicContact CE1-CB 4.21Å; F285-F287 AromaticContact CE1-CD1 3.37Å; F285-F287 HydrophobicContact CE1-CD1 3.37Å; F285-F287 HydrophobicContact CE1-CE1 4.04Å; F285-F287 HydrophobicContact CE1-CG 4.17Å; F287-I291 HydrophobicContact CB-CD1 4.32Å; F287-V292 HydrophobicContact CD2-CG2 4.44Å; F287-V292 HydrophobicContact CE2-CG2 3.52Å; F287-V292 HydrophobicContact CZ-CG2 4.16Å; F287-M300 HydrophobicContact CZ-SD 4.39Å; F287-L305 HydrophobicContact CE1-CD2 4.4Å; F287-V325 HydrophobicContact CZ-CG2 4.25Å |
| 288 | D | 87 | Confident | 81.6 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 141 | -179.6 | -55.1 | -23.6 | 0 | 0 | 0 | 110.2 | Q264 Q265 S290 I291 | Q264-D288 WeakPolarHBondContact O-CA 3.49Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.37Å; Q265-D288 PolarHBondContact NE2-OD1 2.62Å; D288-S290 WeakPolarHBondContact CB-OG 3.19Å; D288-S290 PolarHBondContact O-N 3.43Å; D288-I291 WeakPolarHBondContact O-CB 3.44Å; D288-I291 PolarHBondContact O-N 2.68Å |
| 289 | L | 85.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26.7 | -172.3 | -71.9 | 169.6 | 0 | 0 | 0 | 113.6 | I205 M261 L262 Q264 L266 I291 V292 Y293 I327 | I205-L289 HydrophobicContact CD1-CD1 3.47Å; I205-L289 VanDerWaalsContact CD1-CD1 3.47Å; I205-L289 HydrophobicContact CD1-CD2 3.75Å; I205-L289 HydrophobicContact CD1-CG 4.23Å; I205-L289 HydrophobicContact CG2-CD2 4.28Å; M261-L289 HydrophobicContact SD-CB 3.93Å; M261-L289 HydrophobicContact SD-CD1 3.61Å; M261-L289 HydrophobicContact SD-CG 4.41Å; L262-L289 HydrophobicContact CD2-CB 4.38Å; Q264-L289 HydrophobicContact CB-CD1 4.18Å; Q264-L289 WeakPolarHBondContact O-CG 3.33Å; Q264-L289 PolarHBondContact O-N 2.98Å; L266-L289 HydrophobicContact CB-CD2 3.84Å; L289-I291 PolarHBondContact O-N 2.68Å; L289-I291 VanDerWaalsContact O-N 3.13Å; L289-V292 PolarHBondContact O-N 3.02Å; L289-V292 VanDerWaalsContact O-N 3.08Å; L289-Y293 PolarHBondContact O-N 3.41Å; L289-Y293 VanDerWaalsContact O-N 3.15Å; L289-I327 HydrophobicContact CB-CD1 3.91Å; L289-I327 HydrophobicContact CD2-CD1 3.98Å; L289-I327 WeakPolarHBondContact O-CD1 3.45Å |
| 290 | S | 83.5 | Confident | 84.1 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -41.6 | -42.3 | 165.4 | 32.2 | 0 | 0 | 0 | 0 | 113.3 | L262 D288 V292 Y293 E294 | L262-S290 WeakPolarHBondContact O-CB 3.5Å; L262-S290 PolarHBondContact O-N 3.28Å; L262-S290 PolarHBondContact O-OG 3.42Å; D288-S290 WeakPolarHBondContact CB-OG 3.19Å; D288-S290 PolarHBondContact O-N 3.43Å; S290-V292 VanDerWaalsContact C-N 3.32Å; S290-V292 PolarHBondContact O-N 2.96Å; S290-Y293 CarbonylContact O-C 3.58Å; S290-Y293 PolarHBondContact O-N 3.38Å; S290-E294 WeakPolarHBondContact O-CB 3.18Å; S290-E294 WeakPolarHBondContact O-CG 3.46Å; S290-E294 PolarHBondContact O-N 2.71Å |
| 291 | I | 83.6 | Confident | 84.3 | Confident | 81 Ų | 81 | 49 Ų | 49 | 42% | 0.415 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.8 | -34.4 | -175.5 | -60.1 | -178.7 | 0 | 0 | 0 | 112.3 | F287 D288 L289 C295 M300 | F287-I291 HydrophobicContact CB-CD1 4.32Å; D288-I291 WeakPolarHBondContact O-CB 3.44Å; D288-I291 PolarHBondContact O-N 2.68Å; L289-I291 PolarHBondContact O-N 2.68Å; L289-I291 VanDerWaalsContact O-N 3.13Å; I291-C295 PolarHBondContact O-SG 3.17Å; I291-M300 HydrophobicContact CG2-CE 4.06Å |
| 292 | V | 84.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -80.5 | -36 | 175.6 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | F287 L289 S290 E294 C295 H298 M300 V325 I327 | F287-V292 HydrophobicContact CD2-CG2 4.44Å; F287-V292 HydrophobicContact CE2-CG2 3.52Å; F287-V292 HydrophobicContact CZ-CG2 4.16Å; L289-V292 PolarHBondContact O-N 3.02Å; L289-V292 VanDerWaalsContact O-N 3.08Å; S290-V292 VanDerWaalsContact C-N 3.32Å; S290-V292 PolarHBondContact O-N 2.96Å; V292-E294 VanDerWaalsContact C-N 3.29Å; V292-E294 PolarHBondContact O-N 2.94Å; V292-C295 WeakPolarHBondContact O-CB 3.37Å; V292-C295 PolarHBondContact O-N 3.5Å; V292-C295 VanDerWaalsContact O-N 3.16Å; V292-H298 VanDerWaalsContact CG1-O 3.29Å; V292-H298 WeakPolarHBondContact CG1-O 3.25Å; V292-H298 CarbonylContact O-C 3.47Å; V292-H298 VanDerWaalsContact O-C 3.3Å; V292-H298 WeakPolarHBondContact O-CA 3.48Å; V292-M300 HydrophobicContact CG1-CB 4.2Å; V292-M300 HydrophobicContact CG2-CB 4.11Å; V292-M300 HydrophobicContact CG2-CE 3.57Å; V292-M300 HydrophobicContact CG2-SD 3.77Å; V292-V325 HydrophobicContact CG1-CB 4.31Å; V292-V325 HydrophobicContact CG1-CG1 4.1Å; V292-V325 HydrophobicContact CG2-CB 4.12Å; V292-V325 HydrophobicContact CG2-CG1 4.09Å; V292-I327 HydrophobicContact CB-CD1 3.83Å; V292-I327 HydrophobicContact CB-CG1 4.08Å; V292-I327 HydrophobicContact CG1-CB 4.49Å; V292-I327 HydrophobicContact CG1-CD1 4.1Å; V292-I327 HydrophobicContact CG1-CG1 3.78Å |
| 293 | Y | 81.8 | Confident | 84.1 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.7 | -26.4 | 177.1 | -156.9 | -93.3 | 0 | 0 | 0 | 112.9 | F203 L262 L289 S290 C295 H298 I327 | F203-Y293 HydrophobicContact CD1-CE2 4.06Å; F203-Y293 AromaticContact CE1-CE2 3.67Å; F203-Y293 HydrophobicContact CE1-CE2 3.67Å; L262-Y293 HydrophobicContact CD1-CD1 3.84Å; L262-Y293 HydrophobicContact CD1-CE1 4.42Å; L262-Y293 HydrophobicContact CD1-CG 4.04Å; L262-Y293 VanDerWaalsContact CD2-CB 3.45Å; L262-Y293 HydrophobicContact CD2-CD1 4.35Å; L262-Y293 HydrophobicContact CD2-CD2 4.01Å; L262-Y293 HydrophobicContact CD2-CG 3.69Å; L289-Y293 PolarHBondContact O-N 3.41Å; L289-Y293 VanDerWaalsContact O-N 3.15Å; S290-Y293 CarbonylContact O-C 3.58Å; S290-Y293 PolarHBondContact O-N 3.38Å; Y293-C295 VanDerWaalsContact C-N 3.3Å; Y293-H298 AromaticContact CD1-ND1 3.83Å; Y293-H298 HydrophobicContact CD2-CB 4.34Å; Y293-H298 AromaticContact CD2-ND1 3.87Å; Y293-H298 AromaticContact CE1-CE1 3.77Å; Y293-H298 AromaticContact CE1-ND1 3.96Å; Y293-H298 AromaticContact CG-ND1 3.79Å; Y293-H298 AromaticContact CZ-CE1 3.93Å; Y293-H298 PolarHBondContact O-CE1 2.69Å; Y293-H298 PolarHBondContact O-ND1 3Å; Y293-I327 HydrophobicContact CD2-CB 4.16Å; Y293-I327 HydrophobicContact CD2-CG2 3.77Å; Y293-I327 HydrophobicContact CE2-CG2 4.25Å |
| 294 | E | 82.5 | Confident | 84.1 | Confident | 123 Ų | 123 | 49.4 Ų | 49.4 | 58% | 0.575 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -7.1 | 173.9 | -71.1 | 173.4 | -152.6 | 0 | 0 | 113.2 | Y196 S290 V292 | Y196-E294 VanDerWaalsContact OH-CD 3.22Å; Y196-E294 VanDerWaalsContact OH-CG 3.25Å; Y196-E294 WeakPolarHBondContact OH-CG 3.49Å; Y196-E294 PolarHBondContact OH-OE1 2.83Å; S290-E294 WeakPolarHBondContact O-CB 3.18Å; S290-E294 WeakPolarHBondContact O-CG 3.46Å; S290-E294 PolarHBondContact O-N 2.71Å; V292-E294 VanDerWaalsContact C-N 3.29Å; V292-E294 PolarHBondContact O-N 2.94Å |
| 295 | C | 81.7 | Confident | 84.1 | Confident | 46 Ų | 46 | 49 Ų | 49 | 31% | 0.311 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -80.3 | 158.2 | 175.6 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | I291 V292 Y293 R297 H298 A299 | I291-C295 PolarHBondContact O-SG 3.17Å; V292-C295 WeakPolarHBondContact O-CB 3.37Å; V292-C295 PolarHBondContact O-N 3.5Å; V292-C295 VanDerWaalsContact O-N 3.16Å; Y293-C295 VanDerWaalsContact C-N 3.3Å; C295-R297 PolarHBondContact O-N 3.47Å; C295-H298 WeakPolarHBondContact O-CA 3.19Å; C295-H298 PolarHBondContact O-N 2.8Å; C295-A299 WeakPolarHBondContact CB-O 2.93Å |
| 296 | D | 76.2 | Confident | 83.9 | Confident | 129 Ų | 129 | 48.7 Ų | 48.7 | 69% | 0.69 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -53.2 | 129.9 | 173.4 | -94.7 | -9.5 | 0 | 0 | 0 | 111.4 | H298 A299 | D296-H298 PolarHBondContact O-N 2.67Å; D296-A299 PolarHBondContact O-N 2.96Å |
| 297 | R | 75.5 | Confident | 83.8 | Confident | 179 Ų | 179 | 43.2 Ų | 43.2 | 68% | 0.675 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | 54.5 | 27.1 | -174 | -51.4 | -176.8 | 178.8 | -149.2 | -2.6 | 114.2 | C295 A299 | C295-R297 PolarHBondContact O-N 3.47Å; R297-A299 HydrophobicContact CB-CB 4.37Å; R297-A299 WeakPolarHBondContact O-CB 3.46Å; R297-A299 PolarHBondContact O-N 3.47Å; R297-A299 VanDerWaalsContact O-N 3.07Å |
| 298 | H | 84.5 | Confident | 83.6 | Confident | 45 Ų | 45 | 43 Ų | 43 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | 54.1 | 31 | -177.9 | -51.3 | -56.2 | 0 | 0 | 0 | 112.2 | V292 Y293 C295 D296 I327 D332 | V292-H298 VanDerWaalsContact CG1-O 3.29Å; V292-H298 WeakPolarHBondContact CG1-O 3.25Å; V292-H298 CarbonylContact O-C 3.47Å; V292-H298 VanDerWaalsContact O-C 3.3Å; V292-H298 WeakPolarHBondContact O-CA 3.48Å; Y293-H298 AromaticContact CD1-ND1 3.83Å; Y293-H298 HydrophobicContact CD2-CB 4.34Å; Y293-H298 AromaticContact CD2-ND1 3.87Å; Y293-H298 AromaticContact CE1-CE1 3.77Å; Y293-H298 AromaticContact CE1-ND1 3.96Å; Y293-H298 AromaticContact CG-ND1 3.79Å; Y293-H298 AromaticContact CZ-CE1 3.93Å; Y293-H298 PolarHBondContact O-CE1 2.69Å; Y293-H298 PolarHBondContact O-ND1 3Å; C295-H298 WeakPolarHBondContact O-CA 3.19Å; C295-H298 PolarHBondContact O-N 2.8Å; D296-H298 PolarHBondContact O-N 2.67Å; H298-I327 WeakPolarHBondContact CB-O 3.41Å; H298-I327 PolarHBondContact O-N 3.08Å; H298-D332 IonicContact CD2-OD1 3.76Å; H298-D332 PolarHBondContact CD2-OD1 3.33Å; H298-D332 IonicContact CD2-OD2 2.75Å; H298-D332 PolarHBondContact CD2-OD2 2.68Å; H298-D332 VanDerWaalsContact CD2-OD2 3.28Å; H298-D332 IonicContact NE2-OD1 2.69Å |
| 299 | A | 84.7 | Confident | 83.3 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.7 | -166 | 0 | 0 | 0 | 0 | 0 | 113.1 | C295 D296 R297 V326 P335 | C295-A299 WeakPolarHBondContact CB-O 2.93Å; D296-A299 PolarHBondContact O-N 2.96Å; R297-A299 HydrophobicContact CB-CB 4.37Å; R297-A299 WeakPolarHBondContact O-CB 3.46Å; R297-A299 PolarHBondContact O-N 3.47Å; R297-A299 VanDerWaalsContact O-N 3.07Å; A299-V326 HydrophobicContact CB-CG1 4.23Å; A299-V326 HydrophobicContact CB-CG2 4.14Å; A299-P335 HydrophobicContact CB-CG 3.79Å |
| 300 | M | 84.9 | Confident | 82.8 | Confident | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 85 | -174.1 | -179.4 | -176 | -82 | 0 | 0 | 108.1 | F287 I291 V292 K303 S324 V325 L353 | F287-M300 HydrophobicContact CZ-SD 4.39Å; I291-M300 HydrophobicContact CG2-CE 4.06Å; V292-M300 HydrophobicContact CG1-CB 4.2Å; V292-M300 HydrophobicContact CG2-CB 4.11Å; V292-M300 HydrophobicContact CG2-CE 3.57Å; V292-M300 HydrophobicContact CG2-SD 3.77Å; M300-K303 HydrophobicContact CG-CB 3.95Å; M300-K303 HydrophobicContact CG-CG 3.42Å; M300-K303 VanDerWaalsContact CG-CG 3.42Å; M300-K303 HydrophobicContact SD-CB 4.48Å; M300-K303 HydrophobicContact SD-CG 4.39Å; M300-S324 CarbonylContact O-C 3.51Å; M300-S324 WeakPolarHBondContact O-CA 3.34Å; M300-V325 HydrophobicContact CB-CB 4.42Å; M300-V325 PolarHBondContact N-O 3.2Å; M300-V325 PolarHBondContact O-N 3.05Å; M300-L353 HydrophobicContact CE-CD1 3.58Å; M300-L353 HydrophobicContact CG-CD1 4.39Å; M300-L353 HydrophobicContact SD-CD1 3.33Å; M300-L353 WeakPolarHBondContact SD-CD1 3.24Å |
| 301 | L | 83.1 | Confident | 82.4 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 141.7 | -172.9 | -56.3 | -178.7 | 0 | 0 | 0 | 112.3 | K303 V326 P335 M337 | L301-K303 PolarHBondContact O-N 3.25Å; L301-V326 HydrophobicContact CD2-CG2 4.22Å; L301-P335 HydrophobicContact CD1-CB 4.46Å; L301-M337 HydrophobicContact CD2-CG 4.11Å |
| 302 | N | 80.1 | Confident | 81.8 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.4 | 27.3 | 176.2 | -67.4 | -51.3 | 0 | 0 | 0 | 115.3 | I210 K322 I323 S324 K338 | I210-N302 WeakPolarHBondContact CD1-OD1 3.45Å; N302-K322 WeakPolarHBondContact O-CE 3.45Å; N302-I323 CarbonylContact C-O 3.59Å; N302-I323 VanDerWaalsContact CA-O 3.3Å; N302-I323 WeakPolarHBondContact CA-O 3.45Å; N302-I323 PolarHBondContact N-O 3.37Å; N302-S324 PolarHBondContact N-OG 2.61Å; N302-K338 PolarHBondContact ND2-O 2.91Å |
| 303 | K | 85.3 | Confident | 80.9 | Confident | 55 Ų | 55 | 56 Ų | 56 | 24% | 0.239 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 148.3 | 178.7 | -66.2 | -58.4 | -173.6 | 172.6 | 0 | 111.7 | M300 L301 I323 N351 L353 | M300-K303 HydrophobicContact CG-CB 3.95Å; M300-K303 HydrophobicContact CG-CG 3.42Å; M300-K303 VanDerWaalsContact CG-CG 3.42Å; M300-K303 HydrophobicContact SD-CB 4.48Å; M300-K303 HydrophobicContact SD-CG 4.39Å; L301-K303 PolarHBondContact O-N 3.25Å; K303-I323 PolarHBondContact N-O 3.05Å; K303-I323 VanDerWaalsContact N-O 3.12Å; K303-I323 PolarHBondContact O-N 3.43Å; K303-N351 HydrophobicContact CD-CB 4.2Å; K303-N351 PolarHBondContact NZ-OD1 3.38Å; K303-L353 HydrophobicContact CB-CD1 4.08Å; K303-L353 HydrophobicContact CG-CD1 4.43Å |
| 304 | W | 86.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.2 | 174.7 | -73.6 | 97.6 | 0 | 0 | 0 | 111.1 | E211 R213 L321 K322 N351 L352 L353 M439 | E211-W304 HydrophobicContact CG-CH2 3.88Å; E211-W304 VanDerWaalsContact OE1-CH2 3.27Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.34Å; E211-W304 WeakPolarHBondContact OE1-CZ2 3.48Å; R213-W304 HydrophobicContact CB-CH2 4.33Å; R213-W304 HydrophobicContact CB-CZ3 4.32Å; R213-W304 VanDerWaalsContact CD-CH2 3.4Å; R213-W304 HydrophobicContact CG-CH2 3.66Å; R213-W304 HydrophobicContact CG-CZ3 4.11Å; R213-W304 VanDerWaalsContact NE-CH2 3.31Å; W304-L321 CarbonylContact C-O 3.51Å; W304-L321 WeakPolarHBondContact CA-O 3.43Å; W304-K322 HydrophobicContact CD2-CB 3.81Å; W304-K322 HydrophobicContact CD2-CD 4.46Å; W304-K322 HydrophobicContact CD2-CG 4.04Å; W304-K322 HydrophobicContact CE3-CB 3.73Å; W304-K322 HydrophobicContact CE3-CG 4.48Å; W304-K322 HydrophobicContact CG-CG 4.45Å; W304-K322 HydrophobicContact CH2-CB 3.69Å; W304-K322 HydrophobicContact CH2-CD 4.34Å; W304-K322 HydrophobicContact CH2-CG 4.44Å; W304-K322 HydrophobicContact CZ2-CB 3.8Å; W304-K322 HydrophobicContact CZ2-CD 3.66Å; W304-K322 HydrophobicContact CZ2-CG 4.04Å; W304-K322 HydrophobicContact CZ3-CB 3.68Å; W304-N351 PolarHBondContact N-O 3.5Å; W304-N351 VanDerWaalsContact N-O 3.1Å; W304-L352 HydrophobicContact CB-CD1 3.84Å; W304-L353 PolarHBondContact O-N 3.15Å; W304-M439 HydrophobicContact CB-CE 3.4Å; W304-M439 VanDerWaalsContact CB-CE 3.4Å; W304-M439 HydrophobicContact CB-SD 3.52Å; W304-M439 VanDerWaalsContact CB-SD 3.52Å; W304-M439 HydrophobicContact CD2-CE 4Å; W304-M439 HydrophobicContact CD2-SD 3.66Å; W304-M439 HydrophobicContact CE3-SD 3.82Å; W304-M439 HydrophobicContact CG-CE 3.38Å; W304-M439 HydrophobicContact CG-SD 3.56Å; W304-M439 VanDerWaalsContact CG-SD 3.56Å |
| 305 | L | 88.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.8 | 172.2 | -48.7 | -174.5 | 0 | 0 | 0 | 110.6 | F268 F285 F287 L307 Y320 L321 I323 L353 | F268-L305 HydrophobicContact CB-CD1 4.06Å; F268-L305 HydrophobicContact CD1-CD1 4.28Å; F268-L305 HydrophobicContact CD2-CD1 3.41Å; F268-L305 VanDerWaalsContact CD2-CD1 3.41Å; F268-L305 HydrophobicContact CE2-CD1 3.87Å; F268-L305 HydrophobicContact CG-CD1 3.65Å; F268-L305 HydrophobicContact CZ-CD1 4.47Å; F285-L305 HydrophobicContact CB-CB 4.04Å; F285-L305 HydrophobicContact CB-CD1 4Å; F285-L305 HydrophobicContact CD1-CB 3.93Å; F285-L305 HydrophobicContact CD1-CD1 3.64Å; F285-L305 HydrophobicContact CD1-CD2 3.77Å; F285-L305 HydrophobicContact CD1-CG 3.97Å; F285-L305 HydrophobicContact CD2-CB 4.18Å; F285-L305 HydrophobicContact CE1-CB 4.4Å; F285-L305 HydrophobicContact CE1-CD1 4.42Å; F285-L305 HydrophobicContact CE1-CD2 3.68Å; F285-L305 HydrophobicContact CE1-CG 4.38Å; F285-L305 HydrophobicContact CG-CB 3.81Å; F285-L305 HydrophobicContact CG-CD1 4.05Å; F285-L305 HydrophobicContact CG-CD2 4.5Å; F285-L305 HydrophobicContact CG-CG 4.34Å; F285-L305 HydrophobicContact CZ-CD2 4.34Å; F287-L305 HydrophobicContact CE1-CD2 4.4Å; L305-L307 PolarHBondContact O-N 3.38Å; L305-Y320 VanDerWaalsContact O-CA 3.31Å; L305-Y320 WeakPolarHBondContact O-CA 3.49Å; L305-L321 HydrophobicContact CB-CB 4.42Å; L305-L321 HydrophobicContact CD1-CD2 4.37Å; L305-L321 PolarHBondContact N-O 3.07Å; L305-L321 PolarHBondContact O-N 3.35Å; L305-L321 VanDerWaalsContact O-N 3.09Å; L305-I323 HydrophobicContact CD1-CD1 3.73Å; L305-I323 HydrophobicContact CD1-CG1 4.3Å; L305-I323 HydrophobicContact CD1-CG2 4.24Å; L305-I323 HydrophobicContact CD2-CD1 3.76Å; L305-I323 HydrophobicContact CD2-CG1 4.07Å; L305-I323 HydrophobicContact CG-CD1 3.9Å; L305-I323 HydrophobicContact CG-CG1 4.05Å; L305-I323 HydrophobicContact CG-CG2 4.44Å; L305-L353 HydrophobicContact CD2-CB 4.13Å; L305-L353 HydrophobicContact CD2-CD1 3.93Å |
| 306 | L | 86.4 | Confident | 78.9 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 96.7 | 171.6 | 177.5 | 65.2 | 0 | 0 | 0 | 111.1 | F285 A317 Y320 L352 L353 R354 V358 L360 | F285-L306 WeakPolarHBondContact CD2-O 3.39Å; L306-A317 HydrophobicContact CD1-CB 3.59Å; L306-Y320 HydrophobicContact CD1-CD1 4.03Å; L306-Y320 HydrophobicContact CD1-CE1 3.41Å; L306-Y320 VanDerWaalsContact CD1-CE1 3.41Å; L306-L352 HydrophobicContact CB-CD1 4.09Å; L306-L353 PolarHBondContact N-O 3.12Å; L306-L353 VanDerWaalsContact N-O 3.07Å; L306-R354 HydrophobicContact CD2-CB 4.46Å; L306-R354 HydrophobicContact CD2-CG 4.09Å; L306-V358 HydrophobicContact CD2-CG1 3.92Å; L306-L360 HydrophobicContact CD1-CD2 3.73Å; L306-L360 HydrophobicContact CD2-CD2 3.62Å; L306-L360 HydrophobicContact CD2-CG 4Å; L306-L360 HydrophobicContact CG-CD2 4.36Å |
| 307 | L | 86.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 140.3 | 178.3 | -55.3 | 173.4 | 0 | 0 | 0 | 110.6 | L215 V270 F285 L305 K318 G319 L321 | L215-L307 HydrophobicContact CD2-CD1 3.61Å; V270-L307 HydrophobicContact CB-CD1 4.23Å; V270-L307 HydrophobicContact CG2-CD1 3.68Å; V270-L307 HydrophobicContact CG2-CD2 4.4Å; F285-L307 HydrophobicContact CB-CD2 4.11Å; L305-L307 PolarHBondContact O-N 3.38Å; L307-K318 HydrophobicContact CB-CB 4.26Å; L307-K318 PolarHBondContact O-N 2.66Å; L307-G319 WeakPolarHBondContact CB-O 3.12Å; L307-G319 PolarHBondContact N-O 2.94Å; L307-L321 HydrophobicContact CD2-CB 4.32Å |
| 308 | C | 82.6 | Confident | 79.1 | Confident | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 169.5 | 173.3 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | G283 S284 P310 | G283-C308 CarbonylContact C-O 3.56Å; G283-C308 WeakPolarHBondContact CA-O 3.38Å; S284-C308 PolarHBondContact N-O 2.82Å; S284-C308 PolarHBondContact O-N 2.96Å; S284-C308 VanDerWaalsContact O-O 3.13Å; S284-C308 PolarHBondContact O-SG 3.28Å; C308-P310 WeakPolarHBondContact O-CD 3.47Å |
| 309 | N | 81.2 | Confident | 79 | Confident | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | trans | -75.7 | 122.7 | 167.8 | -177.6 | -8.4 | 0 | 0 | 0 | 108.7 | E311 D312 S315 | N309-E311 VanDerWaalsContact C-N 3.25Å; N309-E311 PolarHBondContact O-N 2.95Å; N309-E311 PolarHBondContact OD1-N 2.87Å; N309-D312 CarbonylContact O-C 3.59Å; N309-D312 PolarHBondContact O-N 3.24Å; N309-S315 WeakPolarHBondContact CB-OG 3.37Å | ||
| 310 | P | 75 | Confident | 79.1 | Confident | 72 Ų | 72 | 40.2 Ų | 40.2 | 47% | 0.468 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -67.2 | -23 | 178.8 | 27.8 | -35.7 | 0 | 0 | 0 | 113.9 | L281 C308 | L281-P310 HydrophobicContact CD2-CG 4.11Å; C308-P310 WeakPolarHBondContact O-CD 3.47Å |
| 311 | E | 75.9 | Confident | 79.3 | Confident | 178 Ų | 178 | 39.9 Ų | 39.9 | 83% | 0.832 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -84.8 | -26.7 | 176.6 | -60.8 | -172.3 | 166.5 | 0 | 0 | 112.4 | N309 | N309-E311 VanDerWaalsContact C-N 3.25Å; N309-E311 PolarHBondContact O-N 2.95Å; N309-E311 PolarHBondContact OD1-N 2.87Å |
| 312 | D | 71.8 | Confident | 79.6 | Confident | 72 Ų | 72 | 37.4 Ų | 37.4 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | trans | -139.9 | 86.6 | 174.5 | -178.9 | 7.6 | 0 | 0 | 0 | 111.3 | N309 M314 S315 | N309-D312 CarbonylContact O-C 3.59Å; N309-D312 PolarHBondContact O-N 3.24Å; D312-M314 PolarHBondContact O-N 3.07Å; D312-M314 WeakPolarHBondContact OD1-CA 3.49Å; D312-M314 WeakPolarHBondContact OD1-CB 3.36Å; D312-M314 PolarHBondContact OD1-N 2.7Å; D312-S315 WeakPolarHBondContact O-CB 3.4Å; D312-S315 PolarHBondContact O-N 3.01Å; D312-S315 VanDerWaalsContact O-N 3.13Å; D312-S315 PolarHBondContact O-OG 3.03Å; D312-S315 PolarHBondContact OD1-N 3.4Å; D312-S315 VanDerWaalsContact OD1-N 3.15Å; D312-S315 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 313 | P | 64.5 | Low | 80.2 | Confident | 58 Ų | 58 | 36.1 Ų | 36.1 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -63 | -18.6 | 175.7 | -22.9 | 34.5 | 0 | 0 | 0 | 113.6 | S315 V358 | P313-S315 VanDerWaalsContact C-N 3.35Å; P313-V358 HydrophobicContact CB-CG2 3.84Å |
| 314 | M | 67.4 | Low | 80.4 | Confident | 157 Ų | 157 | 33.5 Ų | 33.5 | 77% | 0.773 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -83.1 | -12.7 | 178.7 | -57.7 | -56.8 | -59.1 | 0 | 0 | 112.5 | D312 G316 | D312-M314 PolarHBondContact O-N 3.07Å; D312-M314 WeakPolarHBondContact OD1-CA 3.49Å; D312-M314 WeakPolarHBondContact OD1-CB 3.36Å; D312-M314 PolarHBondContact OD1-N 2.7Å; M314-G316 PolarHBondContact O-N 2.64Å |
| 315 | S | 68.4 | Low | 80.6 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -63.4 | -5.3 | 170.3 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | N309 D312 P313 K318 | N309-S315 WeakPolarHBondContact CB-OG 3.37Å; D312-S315 WeakPolarHBondContact O-CB 3.4Å; D312-S315 PolarHBondContact O-N 3.01Å; D312-S315 VanDerWaalsContact O-N 3.13Å; D312-S315 PolarHBondContact O-OG 3.03Å; D312-S315 PolarHBondContact OD1-N 3.4Å; D312-S315 VanDerWaalsContact OD1-N 3.15Å; D312-S315 WeakPolarHBondContact OD2-CB 3.37Å; P313-S315 VanDerWaalsContact C-N 3.35Å; S315-K318 WeakPolarHBondContact OG-CE 3.36Å |
| 316 | G | 67.6 | Low | 80.6 | Confident | 27 Ų | 27 | 33.4 Ų | 33.4 | 28% | 0.278 | 19% | 0.188 | S | C | . | . | trans | 87.1 | -164.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M314 | M314-G316 PolarHBondContact O-N 2.64Š| ||
| 317 | A | 76.7 | Confident | 80.6 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 137.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L306 P437 F472 | L306-A317 HydrophobicContact CD1-CB 3.59Å; A317-P437 HydrophobicContact CB-CG 3.47Å; A317-P437 VanDerWaalsContact CB-CG 3.47Å; A317-F472 VanDerWaalsContact O-CE1 3.23Å; A317-F472 WeakPolarHBondContact O-CE1 3.16Å; A317-F472 WeakPolarHBondContact O-CZ 3.12Å |
| 318 | K | 80.4 | Confident | 80.2 | Confident | 17 Ų | 17 | 34 Ų | 34 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 5.2 | 179.4 | -60.1 | -62.7 | 174.5 | -179.1 | 0 | 113.6 | Q216 I282 L307 S315 D474 | Q216-K318 PolarHBondContact N-O 2.86Å; Q216-K318 VanDerWaalsContact N-O 3.07Å; I282-K318 VanDerWaalsContact O-CB 3.32Å; I282-K318 WeakPolarHBondContact O-CB 3.5Å; I282-K318 WeakPolarHBondContact O-CG 3.33Å; L307-K318 HydrophobicContact CB-CB 4.26Å; L307-K318 PolarHBondContact O-N 2.66Å; S315-K318 WeakPolarHBondContact OG-CE 3.36Å; K318-D474 IonicContact NZ-OD1 2.68Å; K318-D474 PolarHBondContact NZ-OD1 3.26Å |
| 319 | G | 81.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 124 | -173.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q214 L307 | Q214-G319 WeakPolarHBondContact O-CA 3.49Å; L307-G319 WeakPolarHBondContact CB-O 3.12Å; L307-G319 PolarHBondContact N-O 2.94Å |
| 320 | Y | 86.3 | Confident | 79 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.1 | -172.1 | -55.7 | -87 | 0 | 0 | 0 | 112.4 | A212 R213 Q214 L305 L306 L352 P437 M439 | A212-Y320 CarbonylContact C-O 3.52Å; A212-Y320 WeakPolarHBondContact CA-O 3.23Å; A212-Y320 WeakPolarHBondContact CB-O 3.39Å; R213-Y320 PolarHBondContact N-O 3.13Å; R213-Y320 PolarHBondContact O-N 2.85Å; Q214-Y320 HydrophobicContact CB-CD2 4.23Å; Q214-Y320 HydrophobicContact CB-CE2 4.42Å; L305-Y320 VanDerWaalsContact O-CA 3.31Å; L305-Y320 WeakPolarHBondContact O-CA 3.49Å; L306-Y320 HydrophobicContact CD1-CD1 4.03Å; L306-Y320 HydrophobicContact CD1-CE1 3.41Å; L306-Y320 VanDerWaalsContact CD1-CE1 3.41Å; Y320-L352 HydrophobicContact CD1-CD1 4.1Å; Y320-L352 HydrophobicContact CE1-CD1 4.35Å; Y320-L352 HydrophobicContact CE1-CD2 4.1Å; Y320-P437 HydrophobicContact CE2-CB 4.28Å; Y320-P437 HydrophobicContact CE2-CG 4.39Å; Y320-P437 VanDerWaalsContact OH-CB 3.3Å; Y320-P437 WeakPolarHBondContact OH-CB 3.29Å; Y320-P437 VanDerWaalsContact OH-CG 3.26Å; Y320-P437 WeakPolarHBondContact OH-CG 3.4Å; Y320-P437 PolarHBondContact OH-O 2.96Å; Y320-M439 HydrophobicContact CD1-CG 3.23Å; Y320-M439 HydrophobicContact CD1-SD 3.14Å; Y320-M439 WeakPolarHBondContact CD1-SD 3.46Å; Y320-M439 HydrophobicContact CD2-CG 3.74Å; Y320-M439 HydrophobicContact CD2-SD 4.38Å; Y320-M439 HydrophobicContact CE1-CG 3.24Å; Y320-M439 HydrophobicContact CE1-SD 3.71Å; Y320-M439 HydrophobicContact CE2-CG 3.83Å; Y320-M439 HydrophobicContact CG-CG 3.44Å; Y320-M439 VanDerWaalsContact CG-CG 3.44Å; Y320-M439 HydrophobicContact CG-SD 3.51Å; Y320-M439 VanDerWaalsContact CG-SD 3.51Å |
| 321 | L | 90.2 | Very high | 78.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.7 | 179.4 | -171.4 | 74.2 | 0 | 0 | 0 | 110.9 | V209 A212 W246 F268 V270 W304 L305 L307 I323 | V209-L321 HydrophobicContact CG1-CD1 3.85Å; V209-L321 HydrophobicContact CG1-CG 4.44Å; A212-L321 HydrophobicContact CB-CD1 3.97Å; W246-L321 HydrophobicContact CH2-CD1 4.5Å; W246-L321 HydrophobicContact CZ3-CD1 3.76Å; F268-L321 HydrophobicContact CB-CD2 3.97Å; F268-L321 HydrophobicContact CD1-CD2 3.68Å; F268-L321 HydrophobicContact CG-CD2 4.09Å; V270-L321 HydrophobicContact CG2-CD1 4.49Å; W304-L321 CarbonylContact C-O 3.51Å; W304-L321 WeakPolarHBondContact CA-O 3.43Å; L305-L321 HydrophobicContact CB-CB 4.42Å; L305-L321 HydrophobicContact CD1-CD2 4.37Å; L305-L321 PolarHBondContact N-O 3.07Å; L305-L321 PolarHBondContact O-N 3.35Å; L305-L321 VanDerWaalsContact O-N 3.09Å; L307-L321 HydrophobicContact CD2-CB 4.32Å; L321-I323 HydrophobicContact CD2-CG2 3.63Å; L321-I323 HydrophobicContact CG-CG2 3.73Å |
| 322 | K | 90.1 | Very high | 77.9 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 4% | 0.039 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.8 | 173.4 | -160.3 | 173.6 | -174.3 | 163.9 | 0 | 109.3 | I210 E211 N302 W304 E346 | I210-K322 HydrophobicContact CB-CB 4.38Å; I210-K322 HydrophobicContact CD1-CG 4.35Å; I210-K322 PolarHBondContact N-O 2.83Å; E211-K322 HydrophobicContact CG-CB 3.88Å; E211-K322 HydrophobicContact CG-CD 4.48Å; E211-K322 PolarHBondContact O-N 2.8Å; N302-K322 WeakPolarHBondContact O-CE 3.45Å; W304-K322 HydrophobicContact CD2-CB 3.81Å; W304-K322 HydrophobicContact CD2-CD 4.46Å; W304-K322 HydrophobicContact CD2-CG 4.04Å; W304-K322 HydrophobicContact CE3-CB 3.73Å; W304-K322 HydrophobicContact CE3-CG 4.48Å; W304-K322 HydrophobicContact CG-CG 4.45Å; W304-K322 HydrophobicContact CH2-CB 3.69Å; W304-K322 HydrophobicContact CH2-CD 4.34Å; W304-K322 HydrophobicContact CH2-CG 4.44Å; W304-K322 HydrophobicContact CZ2-CB 3.8Å; W304-K322 HydrophobicContact CZ2-CD 3.66Å; W304-K322 HydrophobicContact CZ2-CG 4.04Å; W304-K322 HydrophobicContact CZ3-CB 3.68Å; K322-E346 IonicContact NZ-OE1 2.69Å; K322-E346 PolarHBondContact NZ-OE1 3.39Å; K322-E346 IonicContact NZ-OE2 3.72Å; K322-E346 PolarHBondContact NZ-OE2 3.25Å |
| 323 | I | 91.5 | Very high | 77.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 174.8 | -177.5 | 69.3 | 162.5 | 0 | 0 | 0 | 111.9 | K208 F268 N302 K303 L305 L321 V325 | K208-I323 CarbonylContact O-C 3.58Å; K208-I323 WeakPolarHBondContact O-CA 3.38Å; K208-I323 WeakPolarHBondContact O-CB 3.39Å; F268-I323 HydrophobicContact CD1-CG2 4.17Å; F268-I323 HydrophobicContact CE1-CB 4.43Å; F268-I323 HydrophobicContact CE1-CD1 4Å; F268-I323 HydrophobicContact CE1-CG2 3.81Å; F268-I323 HydrophobicContact CE2-CD1 3.71Å; F268-I323 HydrophobicContact CZ-CD1 3.39Å; F268-I323 HydrophobicContact CZ-CG2 4.33Å; N302-I323 CarbonylContact C-O 3.59Å; N302-I323 VanDerWaalsContact CA-O 3.3Å; N302-I323 WeakPolarHBondContact CA-O 3.45Å; N302-I323 PolarHBondContact N-O 3.37Å; K303-I323 PolarHBondContact N-O 3.05Å; K303-I323 VanDerWaalsContact N-O 3.12Å; K303-I323 PolarHBondContact O-N 3.43Å; L305-I323 HydrophobicContact CD1-CD1 3.73Å; L305-I323 HydrophobicContact CD1-CG1 4.3Å; L305-I323 HydrophobicContact CD1-CG2 4.24Å; L305-I323 HydrophobicContact CD2-CD1 3.76Å; L305-I323 HydrophobicContact CD2-CG1 4.07Å; L305-I323 HydrophobicContact CG-CD1 3.9Å; L305-I323 HydrophobicContact CG-CG1 4.05Å; L305-I323 HydrophobicContact CG-CG2 4.44Å; L321-I323 HydrophobicContact CD2-CG2 3.63Å; L321-I323 HydrophobicContact CG-CG2 3.73Å; I323-V325 HydrophobicContact CD1-CG2 3.48Å; I323-V325 VanDerWaalsContact CD1-CG2 3.48Å; I323-V325 HydrophobicContact CG1-CG2 4.42Å |
| 324 | S | 90.6 | Very high | 77.2 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 131.9 | 158.3 | -61.4 | 0 | 0 | 0 | 0 | 109.4 | V207 K208 M300 N302 M337 | V207-S324 CarbonylContact C-O 3.59Å; V207-S324 WeakPolarHBondContact CA-O 3.45Å; K208-S324 PolarHBondContact N-O 2.88Å; K208-S324 PolarHBondContact O-N 2.78Å; M300-S324 CarbonylContact O-C 3.51Å; M300-S324 WeakPolarHBondContact O-CA 3.34Å; N302-S324 PolarHBondContact N-OG 2.61Å; S324-M337 VanDerWaalsContact CB-CE 3.43Å; S324-M337 WeakPolarHBondContact O-CE 3.4Å |
| 325 | V | 90.4 | Very high | 77.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.1 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | I205 R206 V207 L266 F268 F287 V292 M300 I323 | I205-V325 HydrophobicContact CG2-CG1 4.04Å; R206-V325 CarbonylContact O-C 3.43Å; R206-V325 VanDerWaalsContact O-CA 3.24Å; R206-V325 WeakPolarHBondContact O-CA 3.44Å; V207-V325 HydrophobicContact CG2-CG1 4.21Å; V207-V325 HydrophobicContact CG2-CG2 4.39Å; L266-V325 HydrophobicContact CD2-CG1 3.91Å; L266-V325 HydrophobicContact CD2-CG2 3.96Å; F268-V325 HydrophobicContact CZ-CG2 4.23Å; F287-V325 HydrophobicContact CZ-CG2 4.25Å; V292-V325 HydrophobicContact CG1-CB 4.31Å; V292-V325 HydrophobicContact CG1-CG1 4.1Å; V292-V325 HydrophobicContact CG2-CB 4.12Å; V292-V325 HydrophobicContact CG2-CG1 4.09Å; M300-V325 HydrophobicContact CB-CB 4.42Å; M300-V325 PolarHBondContact N-O 3.2Å; M300-V325 PolarHBondContact O-N 3.05Å; I323-V325 HydrophobicContact CD1-CG2 3.48Å; I323-V325 VanDerWaalsContact CD1-CG2 3.48Å; I323-V325 HydrophobicContact CG1-CG2 4.42Å |
| 326 | V | 87.2 | Confident | 76.8 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129 | 170.7 | -174.1 | 0 | 0 | 0 | 0 | 107.2 | I205 R206 A299 L301 L328 P335 M337 | I205-V326 CarbonylContact C-O 3.6Å; I205-V326 WeakPolarHBondContact CA-O 3.34Å; R206-V326 HydrophobicContact CB-CB 4.25Å; R206-V326 PolarHBondContact N-O 2.85Å; R206-V326 PolarHBondContact O-N 3.2Å; A299-V326 HydrophobicContact CB-CG1 4.23Å; A299-V326 HydrophobicContact CB-CG2 4.14Å; L301-V326 HydrophobicContact CD2-CG2 4.22Å; V326-L328 HydrophobicContact CG1-CD2 3.58Å; V326-L328 HydrophobicContact CG1-CG 3.83Å; V326-P335 HydrophobicContact CG1-CG 4.07Å; V326-P335 HydrophobicContact CG2-CG 3.87Å; V326-M337 HydrophobicContact CG2-CE 4.41Å; V326-M337 HydrophobicContact CG2-SD 4.42Å |
| 327 | I | 86.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.9 | 164.3 | -55.5 | 178.4 | 0 | 0 | 0 | 106.3 | F203 Q204 I205 M261 L289 V292 Y293 H298 | F203-I327 HydrophobicContact CB-CG2 4.36Å; F203-I327 HydrophobicContact CD1-CG2 4.14Å; Q204-I327 CarbonylContact O-C 3.58Å; Q204-I327 WeakPolarHBondContact O-CA 3.22Å; I205-I327 HydrophobicContact CG1-CG1 4.18Å; I205-I327 HydrophobicContact CG1-CG2 4.33Å; I205-I327 HydrophobicContact CG2-CG1 4.35Å; M261-I327 HydrophobicContact CE-CG2 4.01Å; L289-I327 HydrophobicContact CB-CD1 3.91Å; L289-I327 HydrophobicContact CD2-CD1 3.98Å; L289-I327 WeakPolarHBondContact O-CD1 3.45Å; V292-I327 HydrophobicContact CB-CD1 3.83Å; V292-I327 HydrophobicContact CB-CG1 4.08Å; V292-I327 HydrophobicContact CG1-CB 4.49Å; V292-I327 HydrophobicContact CG1-CD1 4.1Å; V292-I327 HydrophobicContact CG1-CG1 3.78Å; Y293-I327 HydrophobicContact CD2-CB 4.16Å; Y293-I327 HydrophobicContact CD2-CG2 3.77Å; Y293-I327 HydrophobicContact CE2-CG2 4.25Å; H298-I327 WeakPolarHBondContact CB-O 3.41Å; H298-I327 PolarHBondContact O-N 3.08Å |
| 328 | L | 78.3 | Confident | 75.8 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.7 | 173.4 | -59.5 | 173 | 0 | 0 | 0 | 106.8 | F203 Q204 R206 V326 D332 A334 | F203-L328 CarbonylContact C-O 3.54Å; F203-L328 VanDerWaalsContact CA-O 3.3Å; F203-L328 WeakPolarHBondContact CA-O 3.31Å; Q204-L328 PolarHBondContact N-O 2.75Å; Q204-L328 PolarHBondContact O-N 3.14Å; R206-L328 VanDerWaalsContact CZ-CD1 3.4Å; R206-L328 VanDerWaalsContact NH2-CD1 3.3Å; V326-L328 HydrophobicContact CG1-CD2 3.58Å; V326-L328 HydrophobicContact CG1-CG 3.83Å; L328-D332 HydrophobicContact CB-CB 4.28Å; L328-D332 HydrophobicContact CD2-CB 3.69Å; L328-A334 HydrophobicContact CD1-CB 3.82Å |
| 329 | G | 74.7 | Confident | 74.6 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | trans | -98.8 | -174.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G331 D332 | G329-G331 PolarHBondContact O-N 3.29Å; G329-D332 PolarHBondContact N-OD2 3.25Å; G329-D332 PolarHBondContact O-N 3.25Å | ||
| 330 | P | 64.2 | Low | 73.1 | Confident | 38 Ų | 38 | 40.8 Ų | 40.8 | 25% | 0.247 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -9.9 | 78.6 | 151.8 | -43.4 | 34.3 | 0 | 0 | 0 | 120.5 | Q201 D202 S1571 | Q201-P330 HydrophobicContact CB-CG 3.95Å; Q201-P330 HydrophobicContact CG-CG 4.14Å; D202-P330 WeakPolarHBondContact O-CD 3.44Å; P330-S1571 WeakPolarHBondContact CA-O 3.26Å; P330-S1571 WeakPolarHBondContact CB-O 3.28Å; P330-S1571 WeakPolarHBondContact CG-O 3.37Å |
| 331 | G | 60.3 | Low | 71.3 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 58% | 0.577 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | 15.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G329 | G329-G331 PolarHBondContact O-N 3.29Š|
| 332 | D | 68.3 | Low | 69.5 | Low | 51 Ų | 51 | 50.7 Ų | 50.7 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 125 | -179.7 | -66.7 | -39.3 | 0 | 0 | 0 | 113.2 | H298 L328 G329 | H298-D332 IonicContact CD2-OD1 3.76Å; H298-D332 PolarHBondContact CD2-OD1 3.33Å; H298-D332 IonicContact CD2-OD2 2.75Å; H298-D332 PolarHBondContact CD2-OD2 2.68Å; H298-D332 VanDerWaalsContact CD2-OD2 3.28Å; H298-D332 IonicContact NE2-OD1 2.69Å; L328-D332 HydrophobicContact CB-CB 4.28Å; L328-D332 HydrophobicContact CD2-CB 3.69Å; G329-D332 PolarHBondContact N-OD2 3.25Å; G329-D332 PolarHBondContact O-N 3.25Å |
| 333 | E | 58.3 | Low | 67.7 | Low | 169 Ų | 169 | 53.2 Ų | 53.2 | 79% | 0.79 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 127.7 | 171.4 | -76.4 | -171.1 | 172.6 | 0 | 0 | 112.3 | P335 | E333-P335 WeakPolarHBondContact O-CD 3.47Š|
| 334 | A | 63.3 | Low | 65.8 | Low | 44 Ų | 44 | 58.3 Ų | 58.3 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 123.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L328 | L328-A334 HydrophobicContact CD1-CB 3.82Š|
| 335 | P | 66.3 | Low | 63.9 | Low | 21 Ų | 21 | 65.3 Ų | 65.3 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 150.4 | 176.8 | 30.7 | -34.2 | 0 | 0 | 0 | 113.2 | A299 L301 V326 E333 M337 | A299-P335 HydrophobicContact CB-CG 3.79Å; L301-P335 HydrophobicContact CD1-CB 4.46Å; V326-P335 HydrophobicContact CG1-CG 4.07Å; V326-P335 HydrophobicContact CG2-CG 3.87Å; E333-P335 WeakPolarHBondContact O-CD 3.47Å; P335-M337 PolarHBondContact O-N 3.13Å |
| 336 | I | 61.4 | Low | 62.3 | Low | 137 Ų | 137 | 67 Ų | 67 | 70% | 0.703 | 37% | 0.368 | S | S | * | . | trans | -78.6 | 115.4 | -179.4 | -51 | 176.5 | 0 | 0 | 0 | 110.8 | K338 | I336-K338 VanDerWaalsContact C-N 3.34Å; I336-K338 HydrophobicContact CG2-CG 4.03Å; I336-K338 PolarHBondContact O-N 2.79Å | ||
| 337 | M | 64.1 | Low | 60.8 | Low | 38 Ų | 38 | 71.2 Ų | 71.2 | 19% | 0.187 | 39% | 0.39 | C | S | . | . | trans | -83 | 65.5 | -175.2 | -55.2 | 172.7 | 81.5 | 0 | 0 | 112.9 | K208 L301 S324 V326 P335 | K208-M337 HydrophobicContact CB-CE 3.46Å; K208-M337 VanDerWaalsContact CB-CE 3.46Å; K208-M337 HydrophobicContact CD-CB 4.4Å; L301-M337 HydrophobicContact CD2-CG 4.11Å; S324-M337 VanDerWaalsContact CB-CE 3.43Å; S324-M337 WeakPolarHBondContact O-CE 3.4Å; V326-M337 HydrophobicContact CG2-CE 4.41Å; V326-M337 HydrophobicContact CG2-SD 4.42Å; P335-M337 PolarHBondContact O-N 3.13Å | ||
| 338 | K | 58.2 | Low | 59.7 | Low | 160 Ų | 160 | 71.6 Ų | 71.6 | 70% | 0.696 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 143.1 | 174.5 | -73.5 | -174.3 | 177 | -179.1 | 0 | 112.3 | N302 I336 | N302-K338 PolarHBondContact ND2-O 2.91Å; I336-K338 VanDerWaalsContact C-N 3.34Å; I336-K338 HydrophobicContact CG2-CG 4.03Å; I336-K338 PolarHBondContact O-N 2.79Å |
| 339 | V | 54.6 | Low | 59 | Low | 74 Ų | 74 | 73.5 Ų | 73.5 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -68 | 137.7 | 166.2 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | ||
| 340 | G | 49.6 | Very low | 58.4 | Low | 36 Ų | 36 | 75.5 Ų | 75.5 | 37% | 0.371 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 341 | E | 50.3 | Low | 58.7 | Low | 138 Ų | 138 | 75.8 Ų | 75.8 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -67.7 | 172.7 | 166.4 | -72 | -165.1 | 172 | 0 | 0 | 111.6 | K345 | E341-K345 IonicContact OE2-NZ 3.58Å; E341-K345 PolarHBondContact OE2-NZ 2.95Å |
| 342 | S | 51.4 | Low | 59.5 | Low | 71 Ų | 71 | 74.2 Ų | 74.2 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 140.8 | -174.5 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | E344 K345 | S342-E344 PolarHBondContact O-N 3.4Å; S342-K345 PolarHBondContact O-N 3.19Å |
| 343 | D | 52.9 | Low | 60 | Low | 63 Ų | 63 | 73.9 Ų | 73.9 | 34% | 0.337 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -35.8 | -35.5 | 174 | -62.6 | 22.4 | 0 | 0 | 0 | 115.6 | R213 K345 E346 | R213-D343 IonicContact CZ-OD2 2.81Å; R213-D343 VanDerWaalsContact CZ-OD2 3.24Å; R213-D343 IonicContact NH1-OD2 3.97Å; R213-D343 PolarHBondContact NH1-OD2 2.72Å; R213-D343 IonicContact NH2-OD1 3.25Å; R213-D343 PolarHBondContact NH2-OD1 3.11Å; R213-D343 IonicContact NH2-OD2 3.8Å; R213-D343 PolarHBondContact NH2-OD2 3.49Å; D343-K345 PolarHBondContact O-N 2.85Å; D343-K345 VanDerWaalsContact O-N 3.1Å; D343-E346 PolarHBondContact O-N 3.26Å |
| 344 | E | 51.2 | Low | 60.9 | Low | 106 Ų | 106 | 72.2 Ų | 72.2 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -59.5 | -19.7 | -178.7 | -59.6 | -162.2 | 152.1 | 0 | 0 | 114.7 | S342 K444 | S342-E344 PolarHBondContact O-N 3.4Å; E344-K444 IonicContact OE1-NZ 3.05Å; E344-K444 PolarHBondContact OE1-NZ 2.89Å; E344-K444 IonicContact OE2-NZ 2.76Å; E344-K444 PolarHBondContact OE2-NZ 3.31Å |
| 345 | K | 51.4 | Low | 61.2 | Low | 149 Ų | 149 | 71.1 Ų | 71.1 | 65% | 0.648 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -110.4 | -12.5 | -177.9 | -65.3 | -173.6 | -170.8 | 171 | 0 | 114.8 | E341 S342 D343 | E341-K345 IonicContact OE2-NZ 3.58Å; E341-K345 PolarHBondContact OE2-NZ 2.95Å; S342-K345 PolarHBondContact O-N 3.19Å; D343-K345 PolarHBondContact O-N 2.85Å; D343-K345 VanDerWaalsContact O-N 3.1Å |
| 346 | E | 55.5 | Low | 61.2 | Low | 35 Ų | 35 | 75.3 Ų | 75.3 | 16% | 0.164 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -73.8 | 131.8 | 176.6 | -72.6 | -171.6 | 160.2 | 0 | 0 | 109 | K322 D343 I348 | K322-E346 IonicContact NZ-OE1 2.69Å; K322-E346 PolarHBondContact NZ-OE1 3.39Å; K322-E346 IonicContact NZ-OE2 3.72Å; K322-E346 PolarHBondContact NZ-OE2 3.25Å; D343-E346 PolarHBondContact O-N 3.26Å; E346-I348 VanDerWaalsContact C-N 3.31Å; E346-I348 HydrophobicContact CB-CG1 4.29Å; E346-I348 WeakPolarHBondContact O-CG1 3.32Å; E346-I348 PolarHBondContact O-N 2.77Å |
| 347 | D | 57.2 | Low | 61.4 | Low | 90 Ų | 90 | 72.2 Ų | 72.2 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | trans | -71.9 | 93.2 | 162.8 | 177.1 | 1.5 | 0 | 0 | 0 | 107.9 | E349 G350 N351 | D347-E349 PolarHBondContact OD1-N 2.79Å; D347-G350 PolarHBondContact OD1-N 3.08Å; D347-N351 VanDerWaalsContact O-CB 3.32Å; D347-N351 WeakPolarHBondContact O-CB 3.3Å; D347-N351 PolarHBondContact O-N 2.73Å; D347-N351 VanDerWaalsContact O-N 3.15Å; D347-N351 PolarHBondContact O-ND2 3.07Å | ||
| 348 | I | 62.3 | Low | 61.4 | Low | 8 Ų | 8 | 71.1 Ų | 71.1 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -40.3 | -172.2 | -61 | -177.8 | 0 | 0 | 0 | 111.1 | E346 N351 M439 C440 | E346-I348 VanDerWaalsContact C-N 3.31Å; E346-I348 HydrophobicContact CB-CG1 4.29Å; E346-I348 WeakPolarHBondContact O-CG1 3.32Å; E346-I348 PolarHBondContact O-N 2.77Å; I348-N351 PolarHBondContact O-N 2.94Å; I348-M439 HydrophobicContact CG2-CB 3.49Å; I348-M439 VanDerWaalsContact CG2-CB 3.49Å; I348-M439 HydrophobicContact CG2-CE 3.4Å; I348-M439 VanDerWaalsContact CG2-CE 3.4Å; I348-M439 HydrophobicContact CG2-CG 4.49Å; I348-M439 WeakPolarHBondContact O-CE 3.21Å; I348-C440 HydrophobicContact CD1-CB 4.02Å |
| 349 | E | 64 | Low | 61.7 | Low | 53 Ų | 53 | 71.5 Ų | 71.5 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -37.9 | 179.6 | -70.9 | -172.5 | 158.6 | 0 | 0 | 111.3 | D347 N351 A409 K411 Q435 | D347-E349 PolarHBondContact OD1-N 2.79Å; E349-N351 VanDerWaalsContact C-N 3.28Å; E349-N351 PolarHBondContact O-N 2.96Å; E349-A409 HydrophobicContact CG-CB 4.29Å; E349-K411 IonicContact OE1-NZ 3.74Å; E349-K411 WeakPolarHBondContact OE2-CE 3.34Å; E349-K411 IonicContact OE2-NZ 2.68Å; E349-K411 PolarHBondContact OE2-NZ 2.89Å; E349-Q435 PolarHBondContact OE1-N 2.99Å; E349-Q435 VanDerWaalsContact OE1-N 3.09Å |
| 350 | G | 62 | Low | 62.5 | Low | 49 Ų | 49 | 68.5 Ų | 68.5 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | D347 | D347-G350 PolarHBondContact OD1-N 3.08Š|
| 351 | N | 71 | Confident | 63.7 | Low | 44 Ų | 44 | 72.1 Ų | 72.1 | 24% | 0.235 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 9.6 | 179 | -76.1 | -60.7 | 0 | 0 | 0 | 114.8 | K303 W304 D347 I348 E349 | K303-N351 HydrophobicContact CD-CB 4.2Å; K303-N351 PolarHBondContact NZ-OD1 3.38Å; W304-N351 PolarHBondContact N-O 3.5Å; W304-N351 VanDerWaalsContact N-O 3.1Å; D347-N351 VanDerWaalsContact O-CB 3.32Å; D347-N351 WeakPolarHBondContact O-CB 3.3Å; D347-N351 PolarHBondContact O-N 2.73Å; D347-N351 VanDerWaalsContact O-N 3.15Å; D347-N351 PolarHBondContact O-ND2 3.07Å; I348-N351 PolarHBondContact O-N 2.94Å; E349-N351 VanDerWaalsContact C-N 3.28Å; E349-N351 PolarHBondContact O-N 2.96Å |
| 352 | L | 76.8 | Confident | 65.1 | Low | 23 Ų | 23 | 66.6 Ų | 66.6 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.9 | 179.3 | -179 | 58.2 | 0 | 0 | 0 | 113.4 | W304 L306 Y320 R354 L360 M439 | W304-L352 HydrophobicContact CB-CD1 3.84Å; L306-L352 HydrophobicContact CB-CD1 4.09Å; Y320-L352 HydrophobicContact CD1-CD1 4.1Å; Y320-L352 HydrophobicContact CE1-CD1 4.35Å; Y320-L352 HydrophobicContact CE1-CD2 4.1Å; L352-R354 HydrophobicContact CD2-CG 4.44Å; L352-R354 HydrophobicContact CG-CG 4.23Å; L352-L360 HydrophobicContact CD2-CD1 3.6Å; L352-M439 HydrophobicContact CB-CE 3.85Å; L352-M439 HydrophobicContact CD1-CE 3.89Å; L352-M439 HydrophobicContact CD1-SD 3.8Å; L352-M439 HydrophobicContact CD2-CE 4.24Å; L352-M439 HydrophobicContact CD2-SD 4.44Å; L352-M439 HydrophobicContact CG-CE 4.2Å |
| 353 | L | 79.1 | Confident | 66.6 | Low | 44 Ų | 44 | 63.2 Ų | 63.2 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.5 | 170.5 | -59.8 | 172.3 | 0 | 0 | 0 | 110.6 | F285 M300 K303 W304 L305 L306 | F285-L353 HydrophobicContact CE1-CB 4.27Å; F285-L353 WeakPolarHBondContact CE2-O 3.45Å; F285-L353 HydrophobicContact CZ-CB 3.75Å; M300-L353 HydrophobicContact CE-CD1 3.58Å; M300-L353 HydrophobicContact CG-CD1 4.39Å; M300-L353 HydrophobicContact SD-CD1 3.33Å; M300-L353 WeakPolarHBondContact SD-CD1 3.24Å; K303-L353 HydrophobicContact CB-CD1 4.08Å; K303-L353 HydrophobicContact CG-CD1 4.43Å; W304-L353 PolarHBondContact O-N 3.15Å; L305-L353 HydrophobicContact CD2-CB 4.13Å; L305-L353 HydrophobicContact CD2-CD1 3.93Å; L306-L353 PolarHBondContact N-O 3.12Å; L306-L353 VanDerWaalsContact N-O 3.07Å |
| 354 | R | 76.1 | Confident | 68.4 | Low | 133 Ų | 133 | 60.6 Ų | 60.6 | 50% | 0.502 | 33% | 0.333 | S | S | . | . | trans | -122.6 | 142 | -172.6 | -65 | 178.1 | -73.6 | -175.1 | -1.4 | 110.5 | L306 L352 | L306-R354 HydrophobicContact CD2-CB 4.46Å; L306-R354 HydrophobicContact CD2-CG 4.09Å; L352-R354 HydrophobicContact CD2-CG 4.44Å; L352-R354 HydrophobicContact CG-CG 4.23Å | ||
| 355 | P | 70.5 | Confident | 70.3 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | trans | -65.1 | 150 | 175.8 | -13.3 | 25.9 | 0 | 0 | 0 | 111.2 | F285 G357 V358 | F285-P355 HydrophobicContact CD2-CG 3.81Å; F285-P355 HydrophobicContact CE2-CB 4.49Å; F285-P355 HydrophobicContact CE2-CG 3.79Å; P355-G357 PolarHBondContact O-N 3.09Å; P355-V358 HydrophobicContact CB-CB 3.95Å; P355-V358 HydrophobicContact CB-CG2 3.86Å; P355-V358 HydrophobicContact CG-CB 3.91Å; P355-V358 HydrophobicContact CG-CG1 4.3Å; P355-V358 HydrophobicContact CG-CG2 4.02Å; P355-V358 PolarHBondContact O-N 2.97Å | ||
| 356 | A | 65.6 | Low | 72.3 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 91% | 0.909 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 127 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V358 | A356-V358 VanDerWaalsContact C-N 3.28Å; A356-V358 PolarHBondContact O-N 2.94Å |
| 357 | G | 64.5 | Low | 74.2 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 74% | 0.742 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -18.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P355 Q359 | P355-G357 PolarHBondContact O-N 3.09Å; G357-Q359 PolarHBondContact O-N 3.44Å |
| 358 | V | 65.7 | Low | 76 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | trans | -90.2 | 98 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | L306 P313 P355 A356 | L306-V358 HydrophobicContact CD2-CG1 3.92Å; P313-V358 HydrophobicContact CB-CG2 3.84Å; P355-V358 HydrophobicContact CB-CB 3.95Å; P355-V358 HydrophobicContact CB-CG2 3.86Å; P355-V358 HydrophobicContact CG-CB 3.91Å; P355-V358 HydrophobicContact CG-CG1 4.3Å; P355-V358 HydrophobicContact CG-CG2 4.02Å; P355-V358 PolarHBondContact O-N 2.97Å; A356-V358 VanDerWaalsContact C-N 3.28Å; A356-V358 PolarHBondContact O-N 2.94Å | ||
| 359 | Q | 63.1 | Low | 77.6 | Confident | 167 Ų | 167 | 44.4 Ų | 44.4 | 78% | 0.78 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -89.3 | 136.5 | 169.6 | -64 | -174 | -4.1 | 0 | 0 | 109.4 | G357 | G357-Q359 PolarHBondContact O-N 3.44Š|
| 360 | L | 71.7 | Confident | 79.2 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 139 | 162.6 | -71.5 | 179.6 | 0 | 0 | 0 | 107.9 | L306 L352 P362 Q435 | L306-L360 HydrophobicContact CD1-CD2 3.73Å; L306-L360 HydrophobicContact CD2-CD2 3.62Å; L306-L360 HydrophobicContact CD2-CG 4Å; L306-L360 HydrophobicContact CG-CD2 4.36Å; L352-L360 HydrophobicContact CD2-CD1 3.6Å; L360-P362 WeakPolarHBondContact O-CD 3.36Å; L360-Q435 HydrophobicContact CB-CB 3.91Å; L360-Q435 HydrophobicContact CD1-CB 3.58Å; L360-Q435 HydrophobicContact CD1-CG 4.43Å; L360-Q435 HydrophobicContact CG-CB 4.4Å |
| 361 | R | 74.8 | Confident | 80.7 | Confident | 111 Ų | 111 | 40.9 Ų | 40.9 | 42% | 0.419 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.8 | 179.8 | -168.2 | 163.9 | -176.4 | -168.6 | 7.3 | 108.2 | A363 F436 L530 D531 | R361-A363 PolarHBondContact O-N 3.4Å; R361-F436 PolarHBondContact N-O 3.02Å; R361-F436 PolarHBondContact O-N 3.12Å; R361-L530 WeakPolarHBondContact CG-O 3.34Å; R361-L530 PolarHBondContact NE-O 3.45Å; R361-D531 IonicContact CZ-OD1 3.22Å; R361-D531 IonicContact NE-OD1 2.79Å; R361-D531 IonicContact NH2-OD1 3.51Å; R361-D531 PolarHBondContact NH2-OD1 2.65Å |
| 362 | P | 79.2 | Confident | 81.9 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 133.3 | 168.2 | -21.4 | 32.9 | 0 | 0 | 0 | 108.7 | L360 L530 P533 | L360-P362 WeakPolarHBondContact O-CD 3.36Å; P362-L530 WeakPolarHBondContact O-CA 3.25Å; P362-L530 PolarHBondContact O-N 3.31Å; P362-P533 HydrophobicContact CB-CB 4.43Å |
| 363 | A | 84.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R361 N433 I434 F436 T527 E528 L529 | R361-A363 PolarHBondContact O-N 3.4Å; A363-N433 PolarHBondContact O-OD1 3.42Å; A363-I434 HydrophobicContact CB-CD1 4.3Å; A363-I434 HydrophobicContact CB-CG1 3.98Å; A363-I434 PolarHBondContact N-O 3.23Å; A363-I434 WeakPolarHBondContact O-CG1 3.27Å; A363-I434 PolarHBondContact O-N 2.97Å; A363-F436 HydrophobicContact CB-CB 3.6Å; A363-F436 HydrophobicContact CB-CG 4.47Å; A363-T527 HydrophobicContact CB-CG2 4.4Å; A363-E528 CarbonylContact C-O 3.54Å; A363-E528 WeakPolarHBondContact CA-O 3.19Å; A363-E528 WeakPolarHBondContact CB-O 3.06Å; A363-L529 HydrophobicContact CB-CD2 3.85Å |
| 364 | I | 89.5 | Confident | 83.3 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.3 | 173.8 | 51.9 | 175.7 | 0 | 0 | 0 | 109.9 | K366 T431 M432 N433 T527 E528 L530 | I364-K366 HydrophobicContact CD1-CD 4.38Å; I364-K366 VanDerWaalsContact CD1-CE 3.43Å; I364-K366 HydrophobicContact CD1-CG 4.06Å; I364-K366 HydrophobicContact CG1-CG 4.41Å; I364-T431 HydrophobicContact CB-CG2 3.89Å; I364-T431 HydrophobicContact CD1-CG2 3.97Å; I364-T431 HydrophobicContact CG2-CG2 3.74Å; I364-M432 WeakPolarHBondContact CA-O 3.43Å; I364-N433 HydrophobicContact CG2-CB 4.48Å; I364-T527 WeakPolarHBondContact O-CA 3.18Å; I364-E528 HydrophobicContact CD1-CB 4.37Å; I364-E528 HydrophobicContact CG1-CB 3.9Å; I364-E528 PolarHBondContact N-O 3.31Å; I364-E528 PolarHBondContact O-N 3.03Å; I364-L530 HydrophobicContact CB-CD1 4.46Å; I364-L530 HydrophobicContact CD1-CD1 4.09Å; I364-L530 HydrophobicContact CD1-CD2 4.5Å; I364-L530 HydrophobicContact CG1-CD1 4Å; I364-L530 HydrophobicContact CG1-CG 4.33Å; I364-L530 HydrophobicContact CG2-CD1 3.78Å |
| 365 | F | 91.7 | Very high | 83.9 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117.1 | 155.3 | -73.7 | -22.5 | 0 | 0 | 0 | 107.6 | I367 F408 M432 I434 L443 I466 P481 L525 T527 | F365-I367 HydrophobicContact CB-CD1 4.36Å; F365-I367 HydrophobicContact CB-CG1 4.32Å; F365-F408 HydrophobicContact CD2-CD1 4.27Å; F365-F408 HydrophobicContact CD2-CE1 4.3Å; F365-F408 AromaticContact CE2-CD1 3.8Å; F365-F408 HydrophobicContact CE2-CD1 3.8Å; F365-F408 HydrophobicContact CE2-CD2 4.31Å; F365-F408 AromaticContact CE2-CE1 3.47Å; F365-F408 HydrophobicContact CE2-CE1 3.47Å; F365-F408 VanDerWaalsContact CE2-CE1 3.47Å; F365-F408 HydrophobicContact CE2-CE2 4.01Å; F365-F408 HydrophobicContact CE2-CG 4.2Å; F365-F408 AromaticContact CE2-CZ 3.58Å; F365-F408 HydrophobicContact CE2-CZ 3.58Å; F365-F408 HydrophobicContact CZ-CE1 4.09Å; F365-F408 AromaticContact CZ-CZ 3.96Å; F365-F408 HydrophobicContact CZ-CZ 3.96Å; F365-M432 HydrophobicContact CB-CB 4.46Å; F365-M432 PolarHBondContact N-O 2.73Å; F365-M432 PolarHBondContact O-N 3.27Å; F365-I434 HydrophobicContact CD1-CD1 3.62Å; F365-I434 HydrophobicContact CD2-CD1 4.2Å; F365-I434 HydrophobicContact CD2-CG2 4.06Å; F365-I434 HydrophobicContact CE1-CD1 3.43Å; F365-I434 VanDerWaalsContact CE1-CD1 3.43Å; F365-I434 HydrophobicContact CE2-CD1 4.04Å; F365-I434 HydrophobicContact CE2-CG2 4.35Å; F365-I434 HydrophobicContact CG-CD1 4.01Å; F365-I434 HydrophobicContact CG-CG2 4.48Å; F365-I434 HydrophobicContact CZ-CD1 3.67Å; F365-L443 HydrophobicContact CD2-CD2 4.38Å; F365-L443 HydrophobicContact CE2-CD2 4.37Å; F365-I466 HydrophobicContact CE2-CD1 4.19Å; F365-I466 HydrophobicContact CZ-CD1 3.85Å; F365-P481 HydrophobicContact CE1-CB 3.9Å; F365-P481 HydrophobicContact CE1-CG 4.14Å; F365-P481 HydrophobicContact CZ-CB 4.35Å; F365-L525 HydrophobicContact CB-CD1 3.62Å; F365-L525 HydrophobicContact CD1-CD1 3.8Å; F365-L525 HydrophobicContact CD2-CD1 4.42Å; F365-L525 HydrophobicContact CG-CD1 3.72Å; F365-T527 HydrophobicContact CD1-CG2 4.34Å; F365-T527 WeakPolarHBondContact CD1-OG1 3.3Å; F365-T527 HydrophobicContact CE1-CG2 4.35Å; F365-T527 VanDerWaalsContact CE1-OG1 3.3Å; F365-T527 WeakPolarHBondContact CE1-OG1 3.21Å |
| 366 | K | 93.7 | Very high | 84.7 | Confident | 40 Ų | 40 | 29.6 Ų | 29.6 | 17% | 0.174 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 106.2 | 165.5 | -72 | -173.4 | -176.8 | 170.2 | 0 | 107.8 | I364 L368 L525 S526 E528 | I364-K366 HydrophobicContact CD1-CD 4.38Å; I364-K366 VanDerWaalsContact CD1-CE 3.43Å; I364-K366 HydrophobicContact CD1-CG 4.06Å; I364-K366 HydrophobicContact CG1-CG 4.41Å; K366-L368 HydrophobicContact CB-CD1 4.15Å; K366-L525 WeakPolarHBondContact O-CA 3.43Å; K366-S526 PolarHBondContact N-O 3.1Å; K366-S526 PolarHBondContact O-N 2.72Å; K366-S526 VanDerWaalsContact O-N 3.07Å; K366-E528 WeakPolarHBondContact CD-OE1 3.21Å; K366-E528 VanDerWaalsContact CE-CD 3.44Å; K366-E528 WeakPolarHBondContact CE-OE1 3.39Å; K366-E528 WeakPolarHBondContact CE-OE2 3.21Å; K366-E528 IonicContact NZ-OE1 3.73Å; K366-E528 PolarHBondContact NZ-OE1 3.27Å; K366-E528 IonicContact NZ-OE2 3.66Å; K366-E528 PolarHBondContact NZ-OE2 2.88Å |
| 367 | I | 95.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.3 | 179.5 | -65.3 | 167.1 | 0 | 0 | 0 | 107.4 | F365 L369 V406 I430 L443 F445 E524 L525 | F365-I367 HydrophobicContact CB-CD1 4.36Å; F365-I367 HydrophobicContact CB-CG1 4.32Å; I367-L369 PolarHBondContact O-N 2.83Å; I367-V406 HydrophobicContact CD1-CG1 3.62Å; I367-I430 HydrophobicContact CB-CB 4.22Å; I367-I430 PolarHBondContact N-O 2.81Å; I367-I430 PolarHBondContact O-N 2.99Å; I367-L443 HydrophobicContact CD1-CD1 4.33Å; I367-L443 HydrophobicContact CD1-CD2 4.26Å; I367-F445 HydrophobicContact CD1-CE1 4.26Å; I367-F445 HydrophobicContact CD1-CZ 4.36Å; I367-F445 HydrophobicContact CG2-CE1 3.96Å; I367-E524 CarbonylContact C-O 3.5Å; I367-E524 WeakPolarHBondContact CA-O 3.43Å; I367-L525 HydrophobicContact CD1-CD1 4.46Å; I367-L525 HydrophobicContact CG1-CD1 3.68Å |
| 368 | L | 95.7 | Very high | 86.1 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 96.9 | 176.1 | -67.8 | 65.3 | 0 | 0 | 0 | 107 | K366 Y370 E429 L523 E524 L541 K545 | K366-L368 HydrophobicContact CB-CD1 4.15Å; L368-Y370 HydrophobicContact CB-CE2 3.96Å; L368-Y370 WeakPolarHBondContact O-CD2 3.36Å; L368-Y370 PolarHBondContact O-N 3.28Å; L368-E429 HydrophobicContact CD1-CG 4.44Å; L368-L523 VanDerWaalsContact O-CA 3.27Å; L368-L523 WeakPolarHBondContact O-CA 3.21Å; L368-L523 WeakPolarHBondContact O-CB 3.39Å; L368-E524 HydrophobicContact CB-CB 4.18Å; L368-E524 PolarHBondContact N-O 3.02Å; L368-E524 PolarHBondContact O-N 2.89Å; L368-E524 VanDerWaalsContact O-N 3.09Å; L368-L541 HydrophobicContact CB-CD1 4.34Å; L368-L541 HydrophobicContact CB-CD2 4.18Å; L368-L541 HydrophobicContact CD2-CD2 4.13Å; L368-L541 HydrophobicContact CG-CD2 3.79Å; L368-K545 HydrophobicContact CD2-CD 4.02Å |
| 369 | L | 96 | Very high | 86.1 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 101 | 177.4 | -179.6 | 64.5 | 0 | 0 | 0 | 108.8 | I367 A404 W426 N427 E428 I430 V521 | I367-L369 PolarHBondContact O-N 2.83Å; L369-A404 HydrophobicContact CD2-CB 3.67Å; L369-W426 HydrophobicContact CD1-CE3 4.06Å; L369-W426 HydrophobicContact CD1-CZ3 4.43Å; L369-W426 HydrophobicContact CD2-CB 4.01Å; L369-W426 HydrophobicContact CD2-CD2 3.73Å; L369-W426 HydrophobicContact CD2-CE3 3.91Å; L369-W426 HydrophobicContact CD2-CG 3.75Å; L369-W426 HydrophobicContact CG-CB 4Å; L369-W426 HydrophobicContact CG-CD2 4.08Å; L369-W426 HydrophobicContact CG-CE3 3.83Å; L369-W426 HydrophobicContact CG-CG 4.15Å; L369-N427 WeakPolarHBondContact O-CA 3.48Å; L369-N427 PolarHBondContact O-N 3.43Å; L369-N427 VanDerWaalsContact O-N 3.11Å; L369-E428 PolarHBondContact N-O 3.31Å; L369-E428 PolarHBondContact O-N 2.86Å; L369-I430 HydrophobicContact CB-CD1 4.44Å; L369-I430 HydrophobicContact CD2-CD1 4.16Å; L369-V521 HydrophobicContact CD1-CG2 3.46Å; L369-V521 VanDerWaalsContact CD1-CG2 3.46Å |
| 370 | Y | 95.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -71.3 | -178.6 | -68.6 | -78.5 | 0 | 0 | 0 | 111.1 | L368 W426 N427 P485 L522 E524 L541 I549 | L368-Y370 HydrophobicContact CB-CE2 3.96Å; L368-Y370 WeakPolarHBondContact O-CD2 3.36Å; L368-Y370 PolarHBondContact O-N 3.28Å; Y370-W426 PolarHBondContact O-N 2.87Å; Y370-N427 PolarHBondContact O-N 2.99Å; Y370-P485 HydrophobicContact CE2-CB 4.45Å; Y370-L522 HydrophobicContact CD2-CG 4.25Å; Y370-L522 PolarHBondContact N-O 2.95Å; Y370-E524 HydrophobicContact CE2-CB 3.98Å; Y370-E524 PolarHBondContact OH-OE2 3.43Å; Y370-L541 HydrophobicContact CD1-CD1 3.87Å; Y370-L541 HydrophobicContact CE1-CD1 3.75Å; Y370-I549 HydrophobicContact CD1-CB 4.29Å; Y370-I549 HydrophobicContact CD1-CG1 4.25Å; Y370-I549 HydrophobicContact CD1-CG2 4.26Å; Y370-I549 HydrophobicContact CD2-CD1 4.16Å; Y370-I549 HydrophobicContact CD2-CG1 4.3Å; Y370-I549 HydrophobicContact CE1-CB 4.1Å; Y370-I549 HydrophobicContact CE1-CG1 4.29Å; Y370-I549 HydrophobicContact CE1-CG2 4.43Å; Y370-I549 HydrophobicContact CE2-CD1 3.88Å; Y370-I549 HydrophobicContact CE2-CG1 4.34Å; Y370-I549 HydrophobicContact CG-CG1 4.25Å |
| 371 | M | 95.1 | Very high | 85.1 | Confident | 26 Ų | 26 | 26 Ų | 26 | 13% | 0.128 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 161.8 | -171.4 | 64.1 | -172.8 | -62.3 | 0 | 0 | 111.6 | P424 E425 V521 L522 L553 | M371-P424 CarbonylContact C-O 3.58Å; M371-P424 WeakPolarHBondContact CA-O 2.89Å; M371-P424 WeakPolarHBondContact CB-O 3.28Å; M371-E425 HydrophobicContact CB-CG 4.14Å; M371-V521 WeakPolarHBondContact O-CG2 3.41Å; M371-L522 HydrophobicContact CG-CB 4.11Å; M371-L522 HydrophobicContact CG-CD2 4.39Å; M371-L522 PolarHBondContact O-N 3.31Å; M371-L553 HydrophobicContact SD-CD1 4.14Å; M371-L553 HydrophobicContact SD-CD2 3.92Å |
| 372 | A | 95.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 165 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L375 H423 P424 W426 R520 V521 | A372-L375 HydrophobicContact CB-CD1 4.24Å; A372-L375 HydrophobicContact CB-CD2 4.21Å; A372-L375 HydrophobicContact CB-CG 4.31Å; A372-H423 CarbonylContact O-C 3.48Å; A372-H423 WeakPolarHBondContact O-CA 3.42Å; A372-P424 HydrophobicContact CB-CG 3.99Å; A372-P424 PolarHBondContact N-O 3.09Å; A372-P424 WeakPolarHBondContact O-CD 3.38Å; A372-W426 HydrophobicContact CB-CH2 4.06Å; A372-W426 HydrophobicContact CB-CZ3 3.65Å; A372-R520 CarbonylContact C-O 3.56Å; A372-R520 WeakPolarHBondContact CA-O 3.39Å; A372-R520 VanDerWaalsContact CB-O 3.32Å; A372-R520 WeakPolarHBondContact CB-O 3.42Å; A372-V521 HydrophobicContact CB-CB 4.14Å; A372-V521 HydrophobicContact CB-CG2 4.4Å |
| 373 | E | 93.2 | Very high | 83 | Confident | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 163.8 | 176.7 | 58.7 | -173.7 | -143.8 | 0 | 0 | 111.8 | L375 H423 F487 G519 R520 R555 | E373-L375 PolarHBondContact O-N 2.72Å; E373-H423 WeakPolarHBondContact CA-ND1 3.29Å; E373-H423 WeakPolarHBondContact CB-ND1 3.24Å; E373-F487 HydrophobicContact CG-CE1 3.98Å; E373-G519 CarbonylContact O-C 3.42Å; E373-G519 WeakPolarHBondContact O-CA 3.2Å; E373-R520 HydrophobicContact CG-CG 3.63Å; E373-R520 PolarHBondContact N-O 2.97Å; E373-R520 PolarHBondContact O-N 2.74Å; E373-R520 IonicContact OE1-CZ 3.57Å; E373-R520 VanDerWaalsContact OE1-CZ 3.24Å; E373-R520 IonicContact OE1-NE 2.69Å; E373-R520 PolarHBondContact OE1-NE 3.33Å; E373-R520 IonicContact OE1-NH2 2.86Å; E373-R520 PolarHBondContact OE1-NH2 2.94Å; E373-R555 VanDerWaalsContact CD-NH2 3.28Å; E373-R555 IonicContact OE1-CZ 2.73Å; E373-R555 VanDerWaalsContact OE1-CZ 3.31Å; E373-R555 IonicContact OE1-NH1 3.2Å; E373-R555 PolarHBondContact OE1-NH1 2.71Å; E373-R555 IonicContact OE1-NH2 2.68Å; E373-R555 PolarHBondContact OE1-NH2 3.09Å; E373-R555 VanDerWaalsContact OE1-NH2 3.07Å; E373-R555 IonicContact OE2-CZ 3.64Å; E373-R555 IonicContact OE2-NH1 2.61Å; E373-R555 IonicContact OE2-NH2 2.73Å; E373-R555 PolarHBondContact OE2-NH2 3.39Å |
| 374 | D | 91 | Very high | 81.5 | Confident | 15 Ų | 15 | 28.8 Ų | 28.8 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | trans | 62 | 23 | 177.1 | -62 | -12.7 | 0 | 0 | 0 | 114.4 | D422 H423 R495 Y517 N586 | D374-D422 PolarHBondContact N-O 3.46Å; D374-H423 IonicContact OD1-CE1 3.24Å; D374-R495 PolarHBondContact O-NH2 2.93Å; D374-Y517 HydrophobicContact CB-CE1 3.59Å; D374-Y517 WeakPolarHBondContact OD2-CE1 3.46Å; D374-Y517 PolarHBondContact OD2-OH 2.79Å; D374-N586 VanDerWaalsContact CB-ND2 3.26Å; D374-N586 WeakPolarHBondContact CB-ND2 3.4Å; D374-N586 VanDerWaalsContact CG-ND2 3.35Å; D374-N586 PolarHBondContact OD1-ND2 3.29Å | ||
| 375 | L | 90.7 | Very high | 79.7 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 125.2 | -176.9 | -61.1 | -174.4 | 0 | 0 | 0 | 111.3 | A372 E373 V400 P402 D422 P424 I459 L490 | A372-L375 HydrophobicContact CB-CD1 4.24Å; A372-L375 HydrophobicContact CB-CD2 4.21Å; A372-L375 HydrophobicContact CB-CG 4.31Å; E373-L375 PolarHBondContact O-N 2.72Å; L375-V400 HydrophobicContact CB-CG2 4.08Å; L375-P402 HydrophobicContact CD1-CB 3.72Å; L375-P402 HydrophobicContact CD1-CG 3.97Å; L375-D422 PolarHBondContact N-O 2.82Å; L375-D422 WeakPolarHBondContact O-CB 3.38Å; L375-P424 HydrophobicContact CD1-CG 3.65Å; L375-I459 HydrophobicContact CB-CG2 4.5Å; L375-I459 HydrophobicContact CD2-CG2 4.31Å; L375-L490 HydrophobicContact CD2-CD1 4.05Å |
| 376 | P | 86.9 | Confident | 78 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -67 | 144.5 | 179.9 | 19.2 | -25.5 | 0 | 0 | 0 | 113.3 | V400 I459 R518 | P376-V400 WeakPolarHBondContact O-CG1 3.38Å; P376-I459 HydrophobicContact CG-CG2 3.89Å; P376-R518 WeakPolarHBondContact CD-O 3.18Å; P376-R518 HydrophobicContact CG-CB 4.29Å |
| 377 | R | 79.1 | Confident | 75.9 | Confident | 87 Ų | 87 | 34.9 Ų | 34.9 | 33% | 0.328 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -53.6 | 132.9 | 158.4 | -54.6 | -178.3 | 177.1 | -161.3 | -12.4 | 110.1 | E398 Y497 | R377-E398 WeakPolarHBondContact CD-O 3.04Å; R377-E398 VanDerWaalsContact CG-O 3.3Å; R377-E398 WeakPolarHBondContact CG-O 3.45Å; R377-E398 VanDerWaalsContact CZ-O 3.32Å; R377-E398 IonicContact CZ-OE1 2.73Å; R377-E398 PolarHBondContact NE-O 3.45Å; R377-E398 IonicContact NH1-OE1 3.74Å; R377-E398 PolarHBondContact NH1-OE1 3.35Å; R377-E398 IonicContact NH2-OE1 3.74Å; R377-E398 PolarHBondContact NH2-OE1 2.94Å; R377-E398 IonicContact NH2-OE2 2.66Å; R377-E398 PolarHBondContact NH2-OE2 3.34Å; R377-Y497 HydrophobicContact CB-CE1 4.1Å |
| 378 | M | 79 | Confident | 73.8 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 20% | 0.202 | 20% | 0.202 | C | C | . | . | trans | -98.7 | -37.2 | 178.1 | -61.6 | -57.5 | -69.4 | 0 | 0 | 113.2 | V400 D449 D457 P458 I459 R518 | M378-V400 HydrophobicContact CB-CG1 4.47Å; M378-V400 HydrophobicContact CG-CG1 3.89Å; M378-D449 HydrophobicContact CB-CB 4.32Å; M378-D449 HydrophobicContact CG-CB 3.84Å; M378-D457 HydrophobicContact CB-CB 4.33Å; M378-D457 HydrophobicContact CE-CB 3.73Å; M378-D457 HydrophobicContact CG-CB 4.42Å; M378-P458 WeakPolarHBondContact CE-O 3.46Å; M378-I459 HydrophobicContact CG-CG1 3.99Å; M378-I459 HydrophobicContact SD-CB 4.35Å; M378-I459 HydrophobicContact SD-CG1 4.07Å; M378-I459 HydrophobicContact SD-CG2 4.44Å; M378-R518 PolarHBondContact SD-NH2 2.83Å | ||
| 379 | D | 66.7 | Low | 71.7 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | trans | -71.9 | 139.9 | 179 | -87.5 | -39.1 | 0 | 0 | 0 | 113.5 | K387 | D379-K387 WeakPolarHBondContact OD1-CE 3.39Å; D379-K387 IonicContact OD1-NZ 3.2Å; D379-K387 PolarHBondContact OD1-NZ 3.28Å; D379-K387 IonicContact OD2-NZ 2.83Å; D379-K387 PolarHBondContact OD2-NZ 2.95Å | ||
| 380 | S | 59.2 | Low | 69.4 | Low | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 27% | 0.271 | C | S | . | . | trans | -89.1 | 151.9 | 167.8 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | A382 F383 K384 | S380-A382 PolarHBondContact O-N 3.33Å; S380-F383 PolarHBondContact O-N 2.75Å; S380-K384 PolarHBondContact O-N 2.92Å | ||
| 381 | D | 54.7 | Low | 66.9 | Low | 124 Ų | 124 | 52.5 Ų | 52.5 | 66% | 0.663 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.3 | -32.7 | -176.5 | -70.8 | -39.7 | 0 | 0 | 0 | 113.5 | K384 G385 | D381-K384 WeakPolarHBondContact O-CB 3.48Å; D381-K384 PolarHBondContact O-N 3.31Å; D381-K384 IonicContact OD1-NZ 3.29Å; D381-G385 PolarHBondContact O-N 2.86Å; D381-G385 VanDerWaalsContact O-N 3.16Å |
| 382 | A | 54.3 | Low | 64.5 | Low | 46 Ų | 46 | 58.9 Ų | 58.9 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S380 K384 G385 I386 D499 | S380-A382 PolarHBondContact O-N 3.33Å; A382-K384 VanDerWaalsContact C-N 3.34Å; A382-G385 PolarHBondContact O-N 3Å; A382-I386 PolarHBondContact O-N 2.96Å; A382-D499 HydrophobicContact CB-CB 4.41Å; A382-D499 WeakPolarHBondContact CB-OD1 3.27Å |
| 383 | F | 55.7 | Low | 61.8 | Low | 108 Ų | 108 | 61.1 Ų | 61.1 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.7 | -33.1 | 174.6 | -95 | -92.8 | 0 | 0 | 0 | 112.2 | S380 G385 I386 K387 | S380-F383 PolarHBondContact O-N 2.75Å; F383-G385 VanDerWaalsContact C-N 3.31Å; F383-G385 PolarHBondContact O-N 3.13Å; F383-I386 PolarHBondContact O-N 2.88Å; F383-I386 VanDerWaalsContact O-N 3.11Å; F383-K387 WeakPolarHBondContact O-CB 3.5Å; F383-K387 PolarHBondContact O-N 3.13Å |
| 384 | K | 52.1 | Low | 59.4 | Low | 36 Ų | 36 | 68.9 Ų | 68.9 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -52.5 | -47.9 | 169 | -132 | 179.6 | -166.7 | 175.3 | 0 | 111.6 | S380 D381 A382 I386 K387 N388 K397 | S380-K384 PolarHBondContact O-N 2.92Å; D381-K384 WeakPolarHBondContact O-CB 3.48Å; D381-K384 PolarHBondContact O-N 3.31Å; D381-K384 IonicContact OD1-NZ 3.29Å; A382-K384 VanDerWaalsContact C-N 3.34Å; K384-I386 VanDerWaalsContact C-N 3.33Å; K384-I386 PolarHBondContact O-N 2.99Å; K384-K387 PolarHBondContact O-N 3.16Å; K384-N388 VanDerWaalsContact O-CB 3.31Å; K384-N388 WeakPolarHBondContact O-CB 3.24Å; K384-N388 VanDerWaalsContact O-CG 3.26Å; K384-N388 PolarHBondContact O-N 2.71Å; K384-N388 PolarHBondContact O-OD1 3.27Å; K384-K397 WeakPolarHBondContact CE-O 3.42Å |
| 385 | G | 52.9 | Low | 57.2 | Low | 42 Ų | 42 | 75.5 Ų | 75.5 | 43% | 0.433 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D381 A382 F383 L389 | D381-G385 PolarHBondContact O-N 2.86Å; D381-G385 VanDerWaalsContact O-N 3.16Å; A382-G385 PolarHBondContact O-N 3Å; F383-G385 VanDerWaalsContact C-N 3.31Å; F383-G385 PolarHBondContact O-N 3.13Å; G385-L389 WeakPolarHBondContact O-CB 3.4Å; G385-L389 PolarHBondContact O-N 3.45Å |
| 386 | I | 54.5 | Low | 55.1 | Low | 94 Ų | 94 | 83.2 Ų | 83.2 | 48% | 0.482 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -73.3 | -42.8 | 178 | -62.3 | 170.7 | 0 | 0 | 0 | 111.5 | A382 F383 K384 L389 L390 | A382-I386 PolarHBondContact O-N 2.96Å; F383-I386 PolarHBondContact O-N 2.88Å; F383-I386 VanDerWaalsContact O-N 3.11Å; K384-I386 VanDerWaalsContact C-N 3.33Å; K384-I386 PolarHBondContact O-N 2.99Å; I386-L389 PolarHBondContact O-N 3.22Å; I386-L390 HydrophobicContact CG2-CD1 4.02Å; I386-L390 WeakPolarHBondContact O-CG 3.29Å; I386-L390 PolarHBondContact O-N 3.25Å; I386-L390 VanDerWaalsContact O-N 3.12Å |
| 387 | K | 50.3 | Low | 53.5 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 18% | 0.183 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -58.7 | -51.4 | 173.5 | -79 | -176.6 | 175.7 | -179.3 | 0 | 110 | D379 F383 K384 L389 L390 T391 D451 | D379-K387 WeakPolarHBondContact OD1-CE 3.39Å; D379-K387 IonicContact OD1-NZ 3.2Å; D379-K387 PolarHBondContact OD1-NZ 3.28Å; D379-K387 IonicContact OD2-NZ 2.83Å; D379-K387 PolarHBondContact OD2-NZ 2.95Å; F383-K387 WeakPolarHBondContact O-CB 3.5Å; F383-K387 PolarHBondContact O-N 3.13Å; K384-K387 PolarHBondContact O-N 3.16Å; K387-L389 VanDerWaalsContact C-N 3.29Å; K387-L389 PolarHBondContact O-N 3.11Å; K387-L390 CarbonylContact O-C 3.41Å; K387-L390 PolarHBondContact O-N 3.23Å; K387-T391 PolarHBondContact O-N 2.94Å; K387-T391 PolarHBondContact O-OG1 3.02Å; K387-D451 WeakPolarHBondContact CE-OD1 3.39Å; K387-D451 IonicContact NZ-OD1 2.7Å; K387-D451 PolarHBondContact NZ-OD1 2.72Å; K387-D451 IonicContact NZ-OD2 2.75Å; K387-D451 PolarHBondContact NZ-OD2 2.97Å |
| 388 | N | 51.6 | Low | 52.5 | Low | 63 Ų | 63 | 86.4 Ų | 86.4 | 34% | 0.337 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61 | -31.9 | 177.2 | -71.9 | 8.7 | 0 | 0 | 0 | 113.4 | K384 L390 | K384-N388 VanDerWaalsContact O-CB 3.31Å; K384-N388 WeakPolarHBondContact O-CB 3.24Å; K384-N388 VanDerWaalsContact O-CG 3.26Å; K384-N388 PolarHBondContact O-N 2.71Å; K384-N388 PolarHBondContact O-OD1 3.27Å; N388-L390 VanDerWaalsContact C-N 3.33Å |
| 389 | L | 50.4 | Low | 52.3 | Low | 159 Ų | 159 | 88 Ų | 88 | 83% | 0.832 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -74.5 | -24.7 | 175.5 | -158.4 | 113.1 | 0 | 0 | 0 | 112.9 | G385 I386 K387 | G385-L389 WeakPolarHBondContact O-CB 3.4Å; G385-L389 PolarHBondContact O-N 3.45Å; I386-L389 PolarHBondContact O-N 3.22Å; K387-L389 VanDerWaalsContact C-N 3.29Å; K387-L389 PolarHBondContact O-N 3.11Å |
| 390 | L | 49.1 | Very low | 53.1 | Low | 123 Ų | 123 | 86.4 Ų | 86.4 | 64% | 0.644 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -90.6 | -21 | 176.9 | -73.7 | 165.6 | 0 | 0 | 0 | 113.3 | I386 K387 N388 | I386-L390 HydrophobicContact CG2-CD1 4.02Å; I386-L390 WeakPolarHBondContact O-CG 3.29Å; I386-L390 PolarHBondContact O-N 3.25Å; I386-L390 VanDerWaalsContact O-N 3.12Å; K387-L390 CarbonylContact O-C 3.41Å; K387-L390 PolarHBondContact O-N 3.23Å; N388-L390 VanDerWaalsContact C-N 3.33Å |
| 391 | T | 41.9 | Very low | 54.4 | Low | 34 Ų | 34 | 86 Ų | 86 | 21% | 0.209 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -117.3 | 118.1 | 178.1 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | K387 S393 I453 | K387-T391 PolarHBondContact O-N 2.94Å; K387-T391 PolarHBondContact O-OG1 3.02Å; T391-S393 PolarHBondContact O-N 3.19Å; T391-I453 HydrophobicContact CG2-CD1 4.43Å |
| 392 | T | 45.4 | Very low | 56.3 | Low | 160 Ų | 160 | 80 Ų | 80 | 98% | 0.982 | 42% | 0.424 | S | S | * | . | trans | -72.8 | 52.3 | 179.3 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 393 | S | 38 | Very low | 58.2 | Low | 46 Ų | 46 | 78.8 Ų | 78.8 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | trans | -132.2 | 111.5 | 176.8 | 48.3 | 0 | 0 | 0 | 0 | 108.6 | T391 E395 | T391-S393 PolarHBondContact O-N 3.19Å; S393-E395 PolarHBondContact O-N 3.1Å | ||
| 394 | D | 44.4 | Very low | 60 | Low | 168 Ų | 168 | 73.7 Ų | 73.7 | 90% | 0.898 | 39% | 0.387 | S | S | * | . | trans | -72 | 21.5 | 179.5 | -60.8 | -52.8 | 0 | 0 | 0 | 113.7 | E396 | D394-E396 PolarHBondContact O-N 2.96Š| ||
| 395 | E | 44.6 | Very low | 62 | Low | 154 Ų | 154 | 74 Ų | 74 | 72% | 0.72 | 39% | 0.391 | S | S | * | . | trans | -84.4 | 113.8 | -179.1 | -70.1 | -174.2 | 166.3 | 0 | 0 | 110.4 | S393 K397 | S393-E395 PolarHBondContact O-N 3.1Å; E395-K397 VanDerWaalsContact C-N 3.33Å; E395-K397 PolarHBondContact O-N 2.89Å | ||
| 396 | E | 46.6 | Very low | 63.9 | Low | 167 Ų | 167 | 72.1 Ų | 72.1 | 78% | 0.78 | 37% | 0.37 | S | S | * | . | trans | -65.2 | 87.2 | 174.2 | -64.4 | 179.3 | 158.4 | 0 | 0 | 110.4 | D394 E398 | D394-E396 PolarHBondContact O-N 2.96Å; E396-E398 VanDerWaalsContact C-N 3.33Å; E396-E398 PolarHBondContact O-N 3.13Å | ||
| 397 | K | 52.9 | Low | 65.5 | Low | 79 Ų | 79 | 68.7 Ų | 68.7 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | trans | -61.4 | 87.6 | 174.4 | -86 | -165.5 | 156.1 | -139.9 | 0 | 111.6 | K384 E395 D401 | K384-K397 WeakPolarHBondContact CE-O 3.42Å; E395-K397 VanDerWaalsContact C-N 3.33Å; E395-K397 PolarHBondContact O-N 2.89Å; K397-D401 IonicContact NZ-OD2 3.19Å; K397-D401 PolarHBondContact NZ-OD2 2.78Å | ||
| 398 | E | 59 | Low | 67.2 | Low | 78 Ų | 78 | 66.9 Ų | 66.9 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -83.7 | -22.6 | 177.1 | -82.4 | -141.1 | 103.8 | 0 | 0 | 114.5 | R377 E396 | R377-E398 WeakPolarHBondContact CD-O 3.04Å; R377-E398 VanDerWaalsContact CG-O 3.3Å; R377-E398 WeakPolarHBondContact CG-O 3.45Å; R377-E398 VanDerWaalsContact CZ-O 3.32Å; R377-E398 IonicContact CZ-OE1 2.73Å; R377-E398 PolarHBondContact NE-O 3.45Å; R377-E398 IonicContact NH1-OE1 3.74Å; R377-E398 PolarHBondContact NH1-OE1 3.35Å; R377-E398 IonicContact NH2-OE1 3.74Å; R377-E398 PolarHBondContact NH2-OE1 2.94Å; R377-E398 IonicContact NH2-OE2 2.66Å; R377-E398 PolarHBondContact NH2-OE2 3.34Å; E396-E398 VanDerWaalsContact C-N 3.33Å; E396-E398 PolarHBondContact O-N 3.13Å | ||
| 399 | F | 73.9 | Confident | 68.3 | Low | 74 Ų | 74 | 64.2 Ų | 64.2 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -125.4 | 162 | -170.8 | -59.4 | -80.2 | 0 | 0 | 0 | 111.7 | G420 D422 | F399-G420 VanDerWaalsContact CB-C 3.48Å; F399-D422 HydrophobicContact CD1-CB 3.96Å; F399-D422 HydrophobicContact CE1-CB 4.49Å; F399-D422 WeakPolarHBondContact CE1-OD2 3.41Å |
| 400 | V | 83.6 | Confident | 69.3 | Low | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | trans | -69.3 | 158.3 | 176.1 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | L375 P376 M378 P402 G420 T421 D449 I459 | L375-V400 HydrophobicContact CB-CG2 4.08Å; P376-V400 WeakPolarHBondContact O-CG1 3.38Å; M378-V400 HydrophobicContact CB-CG1 4.47Å; M378-V400 HydrophobicContact CG-CG1 3.89Å; V400-P402 HydrophobicContact CG2-CB 4.43Å; V400-P402 HydrophobicContact CG2-CG 4.27Å; V400-P402 WeakPolarHBondContact O-CD 3.28Å; V400-G420 PolarHBondContact O-N 2.68Å; V400-T421 WeakPolarHBondContact CG2-O 3.43Å; V400-T421 PolarHBondContact O-N 3.16Å; V400-D449 HydrophobicContact CB-CB 4.42Å; V400-D449 HydrophobicContact CG1-CB 4.27Å; V400-D449 WeakPolarHBondContact CG1-OD2 3.44Å; V400-I459 HydrophobicContact CB-CD1 4.31Å; V400-I459 HydrophobicContact CG1-CD1 4.34Å; V400-I459 HydrophobicContact CG2-CD1 4.36Å | ||
| 401 | D | 87.1 | Confident | 70.7 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | trans | -106.3 | 68.5 | 169.7 | -69.1 | -22.1 | 0 | 0 | 0 | 110.4 | K397 T417 K418 Y419 G420 D449 W450 | K397-D401 IonicContact NZ-OD2 3.19Å; K397-D401 PolarHBondContact NZ-OD2 2.78Å; D401-T417 HydrophobicContact CB-CG2 4.19Å; D401-T417 WeakPolarHBondContact O-CG2 3.29Å; D401-K418 CarbonylContact C-O 3.49Å; D401-K418 WeakPolarHBondContact CA-O 3.43Å; D401-Y419 HydrophobicContact CB-CD1 4.09Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.26Å; D401-G420 PolarHBondContact OD1-N 2.86Å; D401-D449 PolarHBondContact N-OD1 2.82Å; D401-W450 HydrophobicContact CB-CB 4.07Å; D401-W450 HydrophobicContact CB-CE3 4.47Å; D401-W450 WeakPolarHBondContact O-CB 3.38Å; D401-W450 PolarHBondContact O-N 3.2Å | ||
| 402 | P | 93.2 | Very high | 72.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 144.4 | -163.3 | 30.7 | -37.9 | 0 | 0 | 0 | 114.1 | L375 V400 K418 T421 P424 W426 F448 I459 | L375-P402 HydrophobicContact CD1-CB 3.72Å; L375-P402 HydrophobicContact CD1-CG 3.97Å; V400-P402 HydrophobicContact CG2-CB 4.43Å; V400-P402 HydrophobicContact CG2-CG 4.27Å; V400-P402 WeakPolarHBondContact O-CD 3.28Å; P402-K418 VanDerWaalsContact CD-O 3.22Å; P402-K418 WeakPolarHBondContact CD-O 3.47Å; P402-K418 HydrophobicContact CG-CB 4.45Å; P402-K418 VanDerWaalsContact N-O 3.15Å; P402-K418 PolarHBondContact O-N 3.02Å; P402-T421 WeakPolarHBondContact CD-O 3.42Å; P402-P424 HydrophobicContact CB-CG 4.3Å; P402-P424 HydrophobicContact CG-CB 3.63Å; P402-P424 HydrophobicContact CG-CG 3.59Å; P402-W426 HydrophobicContact CB-CH2 4.44Å; P402-W426 HydrophobicContact CB-CZ2 4.15Å; P402-W426 HydrophobicContact CG-CZ2 4.37Å; P402-F448 WeakPolarHBondContact CA-O 3.1Å; P402-I459 HydrophobicContact CB-CD1 4.13Å |
| 403 | Y | 94.7 | Very high | 75 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 8% | 0.078 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.8 | 160.1 | 69.6 | -88.7 | 0 | 0 | 0 | 111.6 | K414 F447 F448 W450 N456 | Y403-K414 VanDerWaalsContact CD1-NZ 3.32Å; Y403-K414 HydrophobicContact CD2-CD 3.5Å; Y403-K414 VanDerWaalsContact CD2-CE 3.49Å; Y403-K414 HydrophobicContact CD2-CG 3.72Å; Y403-K414 HydrophobicContact CE2-CD 3.66Å; Y403-K414 HydrophobicContact CE2-CG 4.2Å; Y403-K414 HydrophobicContact CG-CD 4.06Å; Y403-K414 VanDerWaalsContact CG-CE 3.48Å; Y403-K414 HydrophobicContact CG-CG 4.42Å; Y403-F447 WeakPolarHBondContact O-CA 3.48Å; Y403-F448 HydrophobicContact CD1-CB 4.07Å; Y403-F448 HydrophobicContact CD2-CB 4.45Å; Y403-F448 HydrophobicContact CE1-CB 3.48Å; Y403-F448 VanDerWaalsContact CE1-CB 3.48Å; Y403-F448 HydrophobicContact CE1-CG 4.42Å; Y403-F448 HydrophobicContact CE2-CB 3.89Å; Y403-F448 AromaticContact CE2-CD2 3.87Å; Y403-F448 HydrophobicContact CE2-CD2 3.87Å; Y403-F448 HydrophobicContact CE2-CG 4.18Å; Y403-F448 AromaticContact CZ-CD2 3.99Å; Y403-F448 AromaticContact CZ-CG 3.83Å; Y403-F448 PolarHBondContact N-O 3.31Å; Y403-F448 PolarHBondContact O-N 2.92Å; Y403-W450 HydrophobicContact CD1-CB 4.06Å; Y403-W450 HydrophobicContact CE1-CB 4.19Å; Y403-N456 HydrophobicContact CE1-CB 4.23Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.29Å; Y403-N456 PolarHBondContact OH-ND2 3.08Å |
| 404 | A | 94.3 | Very high | 77.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 137.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L369 K414 S415 F447 | L369-A404 HydrophobicContact CD2-CB 3.67Å; A404-K414 WeakPolarHBondContact O-CA 3.43Å; A404-S415 PolarHBondContact N-OG 2.87Å; A404-S415 PolarHBondContact O-N 2.94Å; A404-F447 HydrophobicContact CB-CD1 4.05Å; A404-F447 HydrophobicContact CB-CE1 3.52Å; A404-F447 HydrophobicContact CB-CZ 3.95Å |
| 405 | L | 93.9 | Very high | 79.9 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 110.5 | 163.9 | -171.8 | 71.2 | 0 | 0 | 0 | 108 | K414 T446 F448 | L405-K414 HydrophobicContact CD1-CB 4.13Å; L405-T446 PolarHBondContact N-O 2.85Å; L405-T446 PolarHBondContact O-N 2.86Å; L405-F448 HydrophobicContact CB-CD2 4.16Å; L405-F448 HydrophobicContact CB-CE2 3.97Å; L405-F448 HydrophobicContact CD2-CE2 3.86Å |
| 406 | V | 93 | Very high | 82.1 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121.7 | 174.3 | -173.6 | 0 | 0 | 0 | 0 | 108 | I367 S412 I413 I430 M432 L443 K444 F445 | I367-V406 HydrophobicContact CD1-CG1 3.62Å; V406-S412 CarbonylContact O-C 3.59Å; V406-S412 WeakPolarHBondContact O-CA 3.34Å; V406-I413 PolarHBondContact N-O 2.83Å; V406-I413 PolarHBondContact O-N 2.77Å; V406-I430 HydrophobicContact CG2-CD1 3.79Å; V406-M432 HydrophobicContact CB-CE 4.05Å; V406-M432 HydrophobicContact CG1-CE 3.69Å; V406-L443 HydrophobicContact CG1-CD1 3.85Å; V406-K444 CarbonylContact C-O 3.54Å; V406-K444 WeakPolarHBondContact CA-O 3.5Å; V406-F445 HydrophobicContact CG1-CD1 4.29Å; V406-F445 HydrophobicContact CG1-CE1 3.95Å; V406-F445 HydrophobicContact CG2-CD1 3.92Å; V406-F445 HydrophobicContact CG2-CE1 4.01Å |
| 407 | S | 88.5 | Confident | 84.2 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.2 | -178.2 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | K411 S412 K444 | S407-K411 WeakPolarHBondContact CA-O 3.37Å; S407-S412 WeakPolarHBondContact CB-OG 3.21Å; S407-S412 PolarHBondContact OG-OG 3.27Å; S407-K444 PolarHBondContact N-O 3.26Å; S407-K444 PolarHBondContact O-N 2.82Å |
| 408 | F | 85.7 | Confident | 86 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 136.8 | -179.2 | -171.4 | -112.8 | 0 | 0 | 0 | 110.5 | F365 G410 K411 M432 I434 S438 C440 L443 I466 | F365-F408 HydrophobicContact CD2-CD1 4.27Å; F365-F408 HydrophobicContact CD2-CE1 4.3Å; F365-F408 AromaticContact CE2-CD1 3.8Å; F365-F408 HydrophobicContact CE2-CD1 3.8Å; F365-F408 HydrophobicContact CE2-CD2 4.31Å; F365-F408 AromaticContact CE2-CE1 3.47Å; F365-F408 HydrophobicContact CE2-CE1 3.47Å; F365-F408 VanDerWaalsContact CE2-CE1 3.47Å; F365-F408 HydrophobicContact CE2-CE2 4.01Å; F365-F408 HydrophobicContact CE2-CG 4.2Å; F365-F408 AromaticContact CE2-CZ 3.58Å; F365-F408 HydrophobicContact CE2-CZ 3.58Å; F365-F408 HydrophobicContact CZ-CE1 4.09Å; F365-F408 AromaticContact CZ-CZ 3.96Å; F365-F408 HydrophobicContact CZ-CZ 3.96Å; F408-G410 PolarHBondContact O-N 2.83Å; F408-G410 VanDerWaalsContact O-N 3.1Å; F408-K411 PolarHBondContact N-O 3.04Å; F408-K411 WeakPolarHBondContact O-CA 3.46Å; F408-K411 WeakPolarHBondContact O-CB 3.49Å; F408-K411 PolarHBondContact O-N 2.85Å; F408-M432 HydrophobicContact CB-SD 3.7Å; F408-I434 HydrophobicContact CD1-CG2 3.74Å; F408-I434 HydrophobicContact CE1-CB 4.47Å; F408-I434 HydrophobicContact CE1-CG2 3.82Å; F408-S438 WeakPolarHBondContact CE1-OG 3.29Å; F408-S438 VanDerWaalsContact CZ-OG 3.31Å; F408-S438 WeakPolarHBondContact CZ-OG 3.44Å; F408-C440 HydrophobicContact CD2-CB 3.99Å; F408-C440 HydrophobicContact CE1-CB 4.22Å; F408-C440 HydrophobicContact CE2-CB 3.59Å; F408-C440 WeakPolarHBondContact CE2-O 3.39Å; F408-C440 HydrophobicContact CG-CB 4.49Å; F408-C440 HydrophobicContact CZ-CB 3.71Å; F408-C440 WeakPolarHBondContact CZ-O 3.48Å; F408-L443 HydrophobicContact CB-CD1 3.74Å; F408-L443 HydrophobicContact CD2-CB 3.92Å; F408-L443 HydrophobicContact CD2-CD1 3.98Å; F408-L443 HydrophobicContact CE2-CB 4.3Å; F408-L443 HydrophobicContact CG-CD1 4.05Å; F408-I466 HydrophobicContact CE2-CD1 3.95Å; F408-I466 HydrophobicContact CE2-CG1 3.72Å; F408-I466 HydrophobicContact CZ-CD1 4.3Å; F408-I466 HydrophobicContact CZ-CG1 4.06Å |
| 409 | A | 74.3 | Confident | 87.3 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 5% | 0.05 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | E349 K411 C440 | E349-A409 HydrophobicContact CG-CB 4.29Å; A409-K411 PolarHBondContact O-N 3.17Å; A409-K411 VanDerWaalsContact O-N 3.17Å; A409-C440 HydrophobicContact CB-CB 3.76Å; A409-C440 PolarHBondContact N-SG 3.32Å |
| 410 | G | 70.3 | Confident | 87.7 | Confident | 67 Ų | 67 | 34.1 Ų | 34.1 | 69% | 0.691 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | -19.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F408 | F408-G410 PolarHBondContact O-N 2.83Å; F408-G410 VanDerWaalsContact O-N 3.1Å |
| 411 | K | 80 | Confident | 87.8 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 27% | 0.265 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 154 | 173.5 | -66.4 | 163.2 | 177.9 | 156.7 | 0 | 110.8 | E349 S407 F408 A409 N433 | E349-K411 IonicContact OE1-NZ 3.74Å; E349-K411 WeakPolarHBondContact OE2-CE 3.34Å; E349-K411 IonicContact OE2-NZ 2.68Å; E349-K411 PolarHBondContact OE2-NZ 2.89Å; S407-K411 WeakPolarHBondContact CA-O 3.37Å; F408-K411 PolarHBondContact N-O 3.04Å; F408-K411 WeakPolarHBondContact O-CA 3.46Å; F408-K411 WeakPolarHBondContact O-CB 3.49Å; F408-K411 PolarHBondContact O-N 2.85Å; A409-K411 PolarHBondContact O-N 3.17Å; A409-K411 VanDerWaalsContact O-N 3.17Å; K411-N433 PolarHBondContact NZ-O 3.33Å |
| 412 | S | 85.1 | Confident | 87.8 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 48% | 0.476 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 129 | 172.4 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | V406 S407 | V406-S412 CarbonylContact O-C 3.59Å; V406-S412 WeakPolarHBondContact O-CA 3.34Å; S407-S412 WeakPolarHBondContact CB-OG 3.21Å; S407-S412 PolarHBondContact OG-OG 3.27Å |
| 413 | I | 91.1 | Very high | 87.7 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.4 | 178.9 | -57.7 | 170.7 | 0 | 0 | 0 | 109.3 | V406 I430 M432 D536 V538 | V406-I413 PolarHBondContact N-O 2.83Å; V406-I413 PolarHBondContact O-N 2.77Å; I413-I430 HydrophobicContact CB-CG2 4.09Å; I413-I430 HydrophobicContact CD1-CG2 4.13Å; I413-I430 HydrophobicContact CG2-CG2 3.79Å; I413-M432 HydrophobicContact CB-CE 4.22Å; I413-M432 HydrophobicContact CD1-CB 3.73Å; I413-M432 HydrophobicContact CD1-CE 3.75Å; I413-M432 HydrophobicContact CD1-CG 3.83Å; I413-M432 HydrophobicContact CG1-CE 3.89Å; I413-D536 HydrophobicContact CD1-CB 3.8Å; I413-D536 HydrophobicContact CG1-CB 4.46Å; I413-V538 HydrophobicContact CG2-CG2 3.54Å |
| 414 | K | 92 | Very high | 87.6 | Confident | 82 Ų | 82 | 39.6 Ų | 39.6 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.9 | -179.9 | 161.6 | 167.1 | 177.2 | 162.8 | 0 | 110.9 | Y403 A404 L405 T417 | Y403-K414 VanDerWaalsContact CD1-NZ 3.32Å; Y403-K414 HydrophobicContact CD2-CD 3.5Å; Y403-K414 VanDerWaalsContact CD2-CE 3.49Å; Y403-K414 HydrophobicContact CD2-CG 3.72Å; Y403-K414 HydrophobicContact CE2-CD 3.66Å; Y403-K414 HydrophobicContact CE2-CG 4.2Å; Y403-K414 HydrophobicContact CG-CD 4.06Å; Y403-K414 VanDerWaalsContact CG-CE 3.48Å; Y403-K414 HydrophobicContact CG-CG 4.42Å; A404-K414 WeakPolarHBondContact O-CA 3.43Å; L405-K414 HydrophobicContact CD1-CB 4.13Å; K414-T417 PolarHBondContact NZ-OG1 3.3Å; K414-T417 VanDerWaalsContact NZ-OG1 3.13Å |
| 415 | S | 93.8 | Very high | 87.6 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | trans | -71.9 | 174.6 | 170 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | A404 W426 E428 | A404-S415 PolarHBondContact N-OG 2.87Å; A404-S415 PolarHBondContact O-N 2.94Å; S415-W426 PolarHBondContact OG-NE1 3.33Å; S415-E428 WeakPolarHBondContact CB-OE2 3.45Å | ||
| 416 | S | 91.1 | Very high | 87.6 | Confident | 41 Ų | 41 | 43.4 Ų | 43.4 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -62 | 153.3 | 163.3 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | K418 W426 E428 | S416-K418 WeakPolarHBondContact OG-CE 3.39Å; S416-W426 VanDerWaalsContact O-CD1 3.31Å; S416-W426 PolarHBondContact O-NE1 3.09Å; S416-E428 WeakPolarHBondContact CB-OE1 3.44Å; S416-E428 PolarHBondContact N-OE2 3.5Å; S416-E428 VanDerWaalsContact OG-CD 3.28Å; S416-E428 PolarHBondContact OG-OE1 2.99Å; S416-E428 PolarHBondContact OG-OE2 2.72Å |
| 417 | T | 91.2 | Very high | 87.7 | Confident | 23 Ų | 23 | 45 Ų | 45 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -86 | 128.8 | 169.8 | -67.7 | 0 | 0 | 0 | 0 | 108.7 | D401 K414 Y419 W450 | D401-T417 HydrophobicContact CB-CG2 4.19Å; D401-T417 WeakPolarHBondContact O-CG2 3.29Å; K414-T417 PolarHBondContact NZ-OG1 3.3Å; K414-T417 VanDerWaalsContact NZ-OG1 3.13Å; T417-Y419 HydrophobicContact CG2-CD1 4.14Å; T417-Y419 HydrophobicContact CG2-CE1 3.71Å; T417-Y419 HydrophobicContact CG2-CE2 4.38Å; T417-W450 HydrophobicContact CG2-CB 3.68Å; T417-W450 HydrophobicContact CG2-CG 4.13Å |
| 418 | K | 90.9 | Very high | 88.1 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 22% | 0.222 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -96.8 | 143.3 | 168.9 | -55.1 | -66.5 | 159 | 150.4 | 0 | 107.5 | D401 P402 S416 T421 P424 E425 W426 | D401-K418 CarbonylContact C-O 3.49Å; D401-K418 WeakPolarHBondContact CA-O 3.43Å; P402-K418 VanDerWaalsContact CD-O 3.22Å; P402-K418 WeakPolarHBondContact CD-O 3.47Å; P402-K418 HydrophobicContact CG-CB 4.45Å; P402-K418 VanDerWaalsContact N-O 3.15Å; P402-K418 PolarHBondContact O-N 3.02Å; S416-K418 WeakPolarHBondContact OG-CE 3.39Å; K418-T421 HydrophobicContact CB-CG2 3.99Å; K418-P424 HydrophobicContact CB-CB 3.96Å; K418-P424 HydrophobicContact CG-CB 3.92Å; K418-E425 WeakPolarHBondContact CD-O 3.5Å; K418-E425 WeakPolarHBondContact CE-O 3.5Å; K418-E425 PolarHBondContact NZ-O 2.8Å; K418-W426 VanDerWaalsContact CE-CD1 3.49Å; K418-W426 PolarHBondContact NZ-O 3.38Å |
| 419 | Y | 85.6 | Confident | 88.5 | Confident | 150 Ų | 150 | 44.9 Ų | 44.9 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | trans | -110 | 136.4 | -173.5 | -60 | -82.5 | 0 | 0 | 0 | 111.1 | D401 T417 W450 | D401-Y419 HydrophobicContact CB-CD1 4.09Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.26Å; T417-Y419 HydrophobicContact CG2-CD1 4.14Å; T417-Y419 HydrophobicContact CG2-CE1 3.71Å; T417-Y419 HydrophobicContact CG2-CE2 4.38Å; Y419-W450 HydrophobicContact CD1-CE3 4.35Å; Y419-W450 HydrophobicContact CE1-CD2 4.42Å; Y419-W450 AromaticContact CE1-CE3 3.66Å; Y419-W450 HydrophobicContact CE1-CE3 3.66Å; Y419-W450 AromaticContact CE1-CZ3 3.82Å; Y419-W450 HydrophobicContact CE1-CZ3 3.82Å | ||
| 420 | G | 82.9 | Confident | 89.5 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 59.6 | 46 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | F399 V400 D401 | F399-G420 VanDerWaalsContact CB-C 3.48Å; V400-G420 PolarHBondContact O-N 2.68Å; D401-G420 PolarHBondContact OD1-N 2.86Å |
| 421 | T | 86 | Confident | 90.5 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | trans | -150 | 131.7 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 113.9 | V400 P402 K418 H423 P424 | V400-T421 WeakPolarHBondContact CG2-O 3.43Å; V400-T421 PolarHBondContact O-N 3.16Å; P402-T421 WeakPolarHBondContact CD-O 3.42Å; K418-T421 HydrophobicContact CB-CG2 3.99Å; T421-H423 VanDerWaalsContact OG1-C 3.24Å; T421-H423 PolarHBondContact OG1-N 2.86Å; T421-H423 VanDerWaalsContact OG1-N 3.09Å; T421-H423 PolarHBondContact OG1-O 2.86Å; T421-P424 HydrophobicContact CG2-CB 3.99Å | ||
| 422 | D | 85.4 | Confident | 90.9 | Very high | 31 Ų | 31 | 39 Ų | 39 | 17% | 0.166 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -83.6 | -11.5 | 168.6 | 53.6 | -9.8 | 0 | 0 | 0 | 113.6 | D374 L375 F399 P424 | D374-D422 PolarHBondContact N-O 3.46Å; L375-D422 PolarHBondContact N-O 2.82Å; L375-D422 WeakPolarHBondContact O-CB 3.38Å; F399-D422 HydrophobicContact CD1-CB 3.96Å; F399-D422 HydrophobicContact CE1-CB 4.49Å; F399-D422 WeakPolarHBondContact CE1-OD2 3.41Å; D422-P424 WeakPolarHBondContact O-CD 3.45Å |
| 423 | H | 91.5 | Very high | 90.9 | Very high | 76 Ų | 76 | 37 Ų | 37 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -120.3 | 66.6 | 174 | -61.9 | -83.6 | 0 | 0 | 0 | 110.9 | A372 E373 D374 T421 | A372-H423 CarbonylContact O-C 3.48Å; A372-H423 WeakPolarHBondContact O-CA 3.42Å; E373-H423 WeakPolarHBondContact CA-ND1 3.29Å; E373-H423 WeakPolarHBondContact CB-ND1 3.24Å; D374-H423 IonicContact OD1-CE1 3.24Å; T421-H423 VanDerWaalsContact OG1-C 3.24Å; T421-H423 PolarHBondContact OG1-N 2.86Å; T421-H423 VanDerWaalsContact OG1-N 3.09Å; T421-H423 PolarHBondContact OG1-O 2.86Å |
| 424 | P | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -70.8 | 130 | -177.6 | 29.3 | -37.7 | 0 | 0 | 0 | 112.9 | M371 A372 L375 P402 K418 T421 D422 W426 | M371-P424 CarbonylContact C-O 3.58Å; M371-P424 WeakPolarHBondContact CA-O 2.89Å; M371-P424 WeakPolarHBondContact CB-O 3.28Å; A372-P424 HydrophobicContact CB-CG 3.99Å; A372-P424 PolarHBondContact N-O 3.09Å; A372-P424 WeakPolarHBondContact O-CD 3.38Å; L375-P424 HydrophobicContact CD1-CG 3.65Å; P402-P424 HydrophobicContact CB-CG 4.3Å; P402-P424 HydrophobicContact CG-CB 3.63Å; P402-P424 HydrophobicContact CG-CG 3.59Å; K418-P424 HydrophobicContact CB-CB 3.96Å; K418-P424 HydrophobicContact CG-CB 3.92Å; T421-P424 HydrophobicContact CG2-CB 3.99Å; D422-P424 WeakPolarHBondContact O-CD 3.45Å; P424-W426 HydrophobicContact CB-CE3 4.41Å; P424-W426 HydrophobicContact CB-CH2 3.8Å; P424-W426 HydrophobicContact CB-CZ2 3.91Å; P424-W426 HydrophobicContact CB-CZ3 4.07Å; P424-W426 HydrophobicContact CG-CE3 4.39Å; P424-W426 HydrophobicContact CG-CH2 3.29Å; P424-W426 HydrophobicContact CG-CZ2 3.88Å; P424-W426 HydrophobicContact CG-CZ3 3.61Å | ||
| 425 | E | 92.8 | Very high | 89.8 | Confident | 117 Ų | 117 | 34 Ų | 34 | 55% | 0.547 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 110.2 | 166.2 | -66.2 | -173.8 | -171.7 | 0 | 0 | 110 | M371 K418 | M371-E425 HydrophobicContact CB-CG 4.14Å; K418-E425 WeakPolarHBondContact CD-O 3.5Å; K418-E425 WeakPolarHBondContact CE-O 3.5Å; K418-E425 PolarHBondContact NZ-O 2.8Å |
| 426 | W | 94.7 | Very high | 88.9 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -56.8 | 171.5 | -71.1 | -82.3 | 0 | 0 | 0 | 110.9 | L369 Y370 A372 P402 S415 S416 K418 P424 E428 F447 | L369-W426 HydrophobicContact CD1-CE3 4.06Å; L369-W426 HydrophobicContact CD1-CZ3 4.43Å; L369-W426 HydrophobicContact CD2-CB 4.01Å; L369-W426 HydrophobicContact CD2-CD2 3.73Å; L369-W426 HydrophobicContact CD2-CE3 3.91Å; L369-W426 HydrophobicContact CD2-CG 3.75Å; L369-W426 HydrophobicContact CG-CB 4Å; L369-W426 HydrophobicContact CG-CD2 4.08Å; L369-W426 HydrophobicContact CG-CE3 3.83Å; L369-W426 HydrophobicContact CG-CG 4.15Å; Y370-W426 PolarHBondContact O-N 2.87Å; A372-W426 HydrophobicContact CB-CH2 4.06Å; A372-W426 HydrophobicContact CB-CZ3 3.65Å; P402-W426 HydrophobicContact CB-CH2 4.44Å; P402-W426 HydrophobicContact CB-CZ2 4.15Å; P402-W426 HydrophobicContact CG-CZ2 4.37Å; S415-W426 PolarHBondContact OG-NE1 3.33Å; S416-W426 VanDerWaalsContact O-CD1 3.31Å; S416-W426 PolarHBondContact O-NE1 3.09Å; K418-W426 VanDerWaalsContact CE-CD1 3.49Å; K418-W426 PolarHBondContact NZ-O 3.38Å; P424-W426 HydrophobicContact CB-CE3 4.41Å; P424-W426 HydrophobicContact CB-CH2 3.8Å; P424-W426 HydrophobicContact CB-CZ2 3.91Å; P424-W426 HydrophobicContact CB-CZ3 4.07Å; P424-W426 HydrophobicContact CG-CE3 4.39Å; P424-W426 HydrophobicContact CG-CH2 3.29Å; P424-W426 HydrophobicContact CG-CZ2 3.88Å; P424-W426 HydrophobicContact CG-CZ3 3.61Å; W426-E428 VanDerWaalsContact C-N 3.35Å; W426-E428 HydrophobicContact CB-CB 4.33Å; W426-E428 HydrophobicContact CB-CG 4.23Å; W426-F447 AromaticContact CH2-CD1 3.77Å; W426-F447 HydrophobicContact CH2-CD1 3.77Å; W426-F447 AromaticContact CH2-CE1 3.58Å; W426-F447 HydrophobicContact CH2-CE1 3.58Å; W426-F447 HydrophobicContact CZ2-CD1 4.38Å; W426-F447 HydrophobicContact CZ2-CE1 4.33Å; W426-F447 AromaticContact CZ3-CE1 3.89Å; W426-F447 HydrophobicContact CZ3-CE1 3.89Å |
| 427 | N | 94.9 | Very high | 87.9 | Confident | 34 Ų | 34 | 34 Ų | 34 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 55.4 | -167.2 | -63.3 | -57.1 | 0 | 0 | 0 | 111.1 | L369 Y370 L541 V546 | L369-N427 WeakPolarHBondContact O-CA 3.48Å; L369-N427 PolarHBondContact O-N 3.43Å; L369-N427 VanDerWaalsContact O-N 3.11Å; Y370-N427 PolarHBondContact O-N 2.99Å; N427-L541 HydrophobicContact CB-CB 4.47Å; N427-L541 HydrophobicContact CB-CD1 4.33Å; N427-L541 WeakPolarHBondContact O-CB 3.33Å; N427-L541 PolarHBondContact O-N 3.05Å; N427-V546 HydrophobicContact CB-CG2 4.04Å |
| 428 | E | 96.4 | Very high | 87 | Confident | 21 Ų | 21 | 33.2 Ų | 33.2 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139 | -176.8 | -72.6 | 175.8 | 171.5 | 0 | 0 | 112 | L369 S415 S416 W426 V538 K539 | L369-E428 PolarHBondContact N-O 3.31Å; L369-E428 PolarHBondContact O-N 2.86Å; S415-E428 WeakPolarHBondContact CB-OE2 3.45Å; S416-E428 WeakPolarHBondContact CB-OE1 3.44Å; S416-E428 PolarHBondContact N-OE2 3.5Å; S416-E428 VanDerWaalsContact OG-CD 3.28Å; S416-E428 PolarHBondContact OG-OE1 2.99Å; S416-E428 PolarHBondContact OG-OE2 2.72Å; W426-E428 VanDerWaalsContact C-N 3.35Å; W426-E428 HydrophobicContact CB-CB 4.33Å; W426-E428 HydrophobicContact CB-CG 4.23Å; E428-V538 HydrophobicContact CB-CG1 4.06Å; E428-V538 HydrophobicContact CG-CG1 4.26Å; E428-K539 CarbonylContact C-O 3.52Å; E428-K539 WeakPolarHBondContact CA-O 3.49Å |
| 429 | E | 94.8 | Very high | 85.9 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.4 | 166.3 | -163.2 | 172.3 | 113.8 | 0 | 0 | 107.8 | L368 V538 K539 L541 K545 | L368-E429 HydrophobicContact CD1-CG 4.44Å; E429-V538 WeakPolarHBondContact O-CA 3.23Å; E429-K539 HydrophobicContact CB-CG 3.95Å; E429-K539 PolarHBondContact N-O 2.98Å; E429-K539 PolarHBondContact O-N 2.89Å; E429-K539 WeakPolarHBondContact OE1-CE 3.3Å; E429-K539 IonicContact OE1-NZ 3.31Å; E429-K539 PolarHBondContact OE1-NZ 2.81Å; E429-K539 IonicContact OE2-NZ 3.63Å; E429-L541 HydrophobicContact CB-CD2 3.76Å; E429-L541 HydrophobicContact CG-CD2 4.43Å; E429-K545 IonicContact OE2-NZ 2.77Å; E429-K545 PolarHBondContact OE2-NZ 3.21Å |
| 430 | I | 94.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109 | 171.1 | -60.2 | 175.3 | 0 | 0 | 0 | 106.8 | I367 L369 V406 I413 V538 | I367-I430 HydrophobicContact CB-CB 4.22Å; I367-I430 PolarHBondContact N-O 2.81Å; I367-I430 PolarHBondContact O-N 2.99Å; L369-I430 HydrophobicContact CB-CD1 4.44Å; L369-I430 HydrophobicContact CD2-CD1 4.16Å; V406-I430 HydrophobicContact CG2-CD1 3.79Å; I413-I430 HydrophobicContact CB-CG2 4.09Å; I413-I430 HydrophobicContact CD1-CG2 4.13Å; I413-I430 HydrophobicContact CG2-CG2 3.79Å; I430-V538 HydrophobicContact CG1-CG1 4.17Å; I430-V538 HydrophobicContact CG1-CG2 4.13Å |
| 431 | T | 92.2 | Very high | 85.1 | Confident | 9 Ų | 9 | 24 Ų | 24 | 6% | 0.055 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.1 | 172.4 | -58.1 | 0 | 0 | 0 | 0 | 108.5 | I364 D536 L537 | I364-T431 HydrophobicContact CB-CG2 3.89Å; I364-T431 HydrophobicContact CD1-CG2 3.97Å; I364-T431 HydrophobicContact CG2-CG2 3.74Å; T431-D536 WeakPolarHBondContact O-CA 3.36Å; T431-L537 PolarHBondContact N-O 3.5Å; T431-L537 PolarHBondContact O-N 2.83Å |
| 432 | M | 89.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.2 | 176.4 | -173.6 | 178.5 | -71.4 | 0 | 0 | 110.3 | I364 F365 V406 F408 I413 I434 D536 | I364-M432 WeakPolarHBondContact CA-O 3.43Å; F365-M432 HydrophobicContact CB-CB 4.46Å; F365-M432 PolarHBondContact N-O 2.73Å; F365-M432 PolarHBondContact O-N 3.27Å; V406-M432 HydrophobicContact CB-CE 4.05Å; V406-M432 HydrophobicContact CG1-CE 3.69Å; F408-M432 HydrophobicContact CB-SD 3.7Å; I413-M432 HydrophobicContact CB-CE 4.22Å; I413-M432 HydrophobicContact CD1-CB 3.73Å; I413-M432 HydrophobicContact CD1-CE 3.75Å; I413-M432 HydrophobicContact CD1-CG 3.83Å; I413-M432 HydrophobicContact CG1-CE 3.89Å; M432-I434 HydrophobicContact CG-CG2 4.37Å; M432-D536 WeakPolarHBondContact CA-OD1 3.45Å |
| 433 | N | 84.7 | Confident | 85.3 | Confident | 26 Ų | 26 | 26.6 Ų | 26.6 | 14% | 0.139 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.3 | 179.1 | -175.8 | 6.9 | 0 | 0 | 0 | 111.1 | A363 I364 K411 P533 T534 D536 | A363-N433 PolarHBondContact O-OD1 3.42Å; I364-N433 HydrophobicContact CG2-CB 4.48Å; K411-N433 PolarHBondContact NZ-O 3.33Å; N433-P533 VanDerWaalsContact ND2-CB 3.34Å; N433-P533 WeakPolarHBondContact ND2-CB 3.43Å; N433-T534 WeakPolarHBondContact CB-O 3.48Å; N433-T534 PolarHBondContact ND2-O 2.85Å; N433-D536 WeakPolarHBondContact CB-OD1 3.49Å; N433-D536 PolarHBondContact N-OD1 3.36Å |
| 434 | I | 82.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 163.1 | -176.8 | 61.5 | 160.4 | 0 | 0 | 0 | 110.1 | A363 F365 F408 M432 | A363-I434 HydrophobicContact CB-CD1 4.3Å; A363-I434 HydrophobicContact CB-CG1 3.98Å; A363-I434 PolarHBondContact N-O 3.23Å; A363-I434 WeakPolarHBondContact O-CG1 3.27Å; A363-I434 PolarHBondContact O-N 2.97Å; F365-I434 HydrophobicContact CD1-CD1 3.62Å; F365-I434 HydrophobicContact CD2-CD1 4.2Å; F365-I434 HydrophobicContact CD2-CG2 4.06Å; F365-I434 HydrophobicContact CE1-CD1 3.43Å; F365-I434 VanDerWaalsContact CE1-CD1 3.43Å; F365-I434 HydrophobicContact CE2-CD1 4.04Å; F365-I434 HydrophobicContact CE2-CG2 4.35Å; F365-I434 HydrophobicContact CG-CD1 4.01Å; F365-I434 HydrophobicContact CG-CG2 4.48Å; F365-I434 HydrophobicContact CZ-CD1 3.67Å; F408-I434 HydrophobicContact CD1-CG2 3.74Å; F408-I434 HydrophobicContact CE1-CB 4.47Å; F408-I434 HydrophobicContact CE1-CG2 3.82Å; M432-I434 HydrophobicContact CG-CG2 4.37Å |
| 435 | Q | 77.9 | Confident | 85.3 | Confident | 40 Ų | 40 | 24.4 Ų | 24.4 | 19% | 0.187 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134.7 | 162.2 | -58.9 | -65.7 | -86.8 | 0 | 0 | 109.4 | E349 L360 P437 S438 | E349-Q435 PolarHBondContact OE1-N 2.99Å; E349-Q435 VanDerWaalsContact OE1-N 3.09Å; L360-Q435 HydrophobicContact CB-CB 3.91Å; L360-Q435 HydrophobicContact CD1-CB 3.58Å; L360-Q435 HydrophobicContact CD1-CG 4.43Å; L360-Q435 HydrophobicContact CG-CB 4.4Å; Q435-P437 CarbonylContact C-O 3Å; Q435-P437 CarbonylContact O-C 3.56Å; Q435-P437 VanDerWaalsContact O-C 3.29Å; Q435-S438 WeakPolarHBondContact O-CA 3.45Å; Q435-S438 WeakPolarHBondContact O-CB 3.23Å; Q435-S438 PolarHBondContact O-N 2.51Å |
| 436 | F | 74.3 | Confident | 85.4 | Confident | 27 Ų | 27 | 19.2 Ų | 19.2 | 12% | 0.118 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.6 | 179.6 | -167.8 | -89.6 | 0 | 0 | 0 | 113.4 | R361 A363 L480 P481 T527 L529 | R361-F436 PolarHBondContact N-O 3.02Å; R361-F436 PolarHBondContact O-N 3.12Å; A363-F436 HydrophobicContact CB-CB 3.6Å; A363-F436 HydrophobicContact CB-CG 4.47Å; F436-L480 HydrophobicContact CD1-CD2 4.31Å; F436-L480 HydrophobicContact CE1-CD2 3.53Å; F436-L480 HydrophobicContact CE2-CD2 4.15Å; F436-L480 HydrophobicContact CZ-CD2 3.45Å; F436-L480 VanDerWaalsContact CZ-CD2 3.45Å; F436-P481 VanDerWaalsContact CE2-CD 3.49Å; F436-P481 HydrophobicContact CE2-CG 3.92Å; F436-T527 HydrophobicContact CD2-CG2 4.24Å; F436-L529 HydrophobicContact CB-CD2 3.85Å; F436-L529 HydrophobicContact CD1-CD2 3.64Å; F436-L529 HydrophobicContact CE1-CD2 4.42Å; F436-L529 HydrophobicContact CG-CD2 3.7Å |
| 437 | P | 71.3 | Confident | 85.4 | Confident | 17 Ų | 17 | 18.8 Ų | 18.8 | 11% | 0.11 | 9% | 0.092 | C | C | . | . | S | Bend | cis | -61.1 | 159.6 | -10.7 | 10.7 | -9.3 | 0 | 0 | 0 | 111.9 | A317 Y320 Q435 | A317-P437 HydrophobicContact CB-CG 3.47Å; A317-P437 VanDerWaalsContact CB-CG 3.47Å; Y320-P437 HydrophobicContact CE2-CB 4.28Å; Y320-P437 HydrophobicContact CE2-CG 4.39Å; Y320-P437 VanDerWaalsContact OH-CB 3.3Å; Y320-P437 WeakPolarHBondContact OH-CB 3.29Å; Y320-P437 VanDerWaalsContact OH-CG 3.26Å; Y320-P437 WeakPolarHBondContact OH-CG 3.4Å; Y320-P437 PolarHBondContact OH-O 2.96Å; Q435-P437 CarbonylContact C-O 3Å; Q435-P437 CarbonylContact O-C 3.56Å; Q435-P437 VanDerWaalsContact O-C 3.29Å |
| 438 | S | 70.5 | Confident | 85.2 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 5% | 0.049 | 9% | 0.089 | C | C | . | . | trans | -108.7 | 130.1 | -179.9 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | Q214 F408 Q435 C440 | Q214-S438 PolarHBondContact NE2-O 2.8Å; Q214-S438 PolarHBondContact OE1-O 3.18Å; F408-S438 WeakPolarHBondContact CE1-OG 3.29Å; F408-S438 VanDerWaalsContact CZ-OG 3.31Å; F408-S438 WeakPolarHBondContact CZ-OG 3.44Å; Q435-S438 WeakPolarHBondContact O-CA 3.45Å; Q435-S438 WeakPolarHBondContact O-CB 3.23Å; Q435-S438 PolarHBondContact O-N 2.51Å; S438-C440 VanDerWaalsContact C-N 3.27Å; S438-C440 PolarHBondContact O-N 3.39Å | ||
| 439 | M | 68 | Low | 84.9 | Confident | 7 Ų | 7 | 17.8 Ų | 17.8 | 3% | 0.034 | 9% | 0.086 | C | C | . | . | trans | -72.8 | -16.2 | 178.4 | -67.8 | -158.7 | -54.8 | 0 | 0 | 114.5 | W304 Y320 I348 L352 E441 | W304-M439 HydrophobicContact CB-CE 3.4Å; W304-M439 VanDerWaalsContact CB-CE 3.4Å; W304-M439 HydrophobicContact CB-SD 3.52Å; W304-M439 VanDerWaalsContact CB-SD 3.52Å; W304-M439 HydrophobicContact CD2-CE 4Å; W304-M439 HydrophobicContact CD2-SD 3.66Å; W304-M439 HydrophobicContact CE3-SD 3.82Å; W304-M439 HydrophobicContact CG-CE 3.38Å; W304-M439 HydrophobicContact CG-SD 3.56Å; W304-M439 VanDerWaalsContact CG-SD 3.56Å; Y320-M439 HydrophobicContact CD1-CG 3.23Å; Y320-M439 HydrophobicContact CD1-SD 3.14Å; Y320-M439 WeakPolarHBondContact CD1-SD 3.46Å; Y320-M439 HydrophobicContact CD2-CG 3.74Å; Y320-M439 HydrophobicContact CD2-SD 4.38Å; Y320-M439 HydrophobicContact CE1-CG 3.24Å; Y320-M439 HydrophobicContact CE1-SD 3.71Å; Y320-M439 HydrophobicContact CE2-CG 3.83Å; Y320-M439 HydrophobicContact CG-CG 3.44Å; Y320-M439 VanDerWaalsContact CG-CG 3.44Å; Y320-M439 HydrophobicContact CG-SD 3.51Å; Y320-M439 VanDerWaalsContact CG-SD 3.51Å; I348-M439 HydrophobicContact CG2-CB 3.49Å; I348-M439 VanDerWaalsContact CG2-CB 3.49Å; I348-M439 HydrophobicContact CG2-CE 3.4Å; I348-M439 VanDerWaalsContact CG2-CE 3.4Å; I348-M439 HydrophobicContact CG2-CG 4.49Å; I348-M439 WeakPolarHBondContact O-CE 3.21Å; L352-M439 HydrophobicContact CB-CE 3.85Å; L352-M439 HydrophobicContact CD1-CE 3.89Å; L352-M439 HydrophobicContact CD1-SD 3.8Å; L352-M439 HydrophobicContact CD2-CE 4.24Å; L352-M439 HydrophobicContact CD2-SD 4.44Å; L352-M439 HydrophobicContact CG-CE 4.2Å; M439-E441 PolarHBondContact O-N 2.89Å | ||
| 440 | C | 73.7 | Confident | 84.5 | Confident | 13 Ų | 13 | 20.8 Ų | 20.8 | 9% | 0.088 | 10% | 0.097 | C | C | . | . | trans | -74.6 | 114.4 | -179.7 | -176 | 0 | 0 | 0 | 0 | 109.2 | I348 F408 A409 S438 K442 I466 | I348-C440 HydrophobicContact CD1-CB 4.02Å; F408-C440 HydrophobicContact CD2-CB 3.99Å; F408-C440 HydrophobicContact CE1-CB 4.22Å; F408-C440 HydrophobicContact CE2-CB 3.59Å; F408-C440 WeakPolarHBondContact CE2-O 3.39Å; F408-C440 HydrophobicContact CG-CB 4.49Å; F408-C440 HydrophobicContact CZ-CB 3.71Å; F408-C440 WeakPolarHBondContact CZ-O 3.48Å; A409-C440 HydrophobicContact CB-CB 3.76Å; A409-C440 PolarHBondContact N-SG 3.32Å; S438-C440 VanDerWaalsContact C-N 3.27Å; S438-C440 PolarHBondContact O-N 3.39Å; C440-K442 PolarHBondContact SG-O 3.07Å; C440-I466 WeakPolarHBondContact O-CG1 3.2Å | ||
| 441 | E | 77.8 | Confident | 83.7 | Confident | 33 Ų | 33 | 21.9 Ų | 21.9 | 15% | 0.154 | 10% | 0.103 | C | C | . | . | trans | -77.1 | -24.2 | -176.6 | -177.8 | 50.7 | -145.9 | 0 | 0 | 112.7 | M439 S465 I466 S467 | M439-E441 PolarHBondContact O-N 2.89Å; E441-S465 CarbonylContact O-C 3.5Å; E441-S465 VanDerWaalsContact O-CA 3.25Å; E441-S465 WeakPolarHBondContact O-CA 3.14Å; E441-S465 WeakPolarHBondContact OE1-CB 3.16Å; E441-I466 PolarHBondContact O-N 2.56Å; E441-I466 PolarHBondContact OE1-N 3.23Å; E441-I466 VanDerWaalsContact OE1-N 3.1Å; E441-S467 VanDerWaalsContact OE1-CB 3.23Å; E441-S467 WeakPolarHBondContact OE1-CB 3.41Å; E441-S467 PolarHBondContact OE1-N 3.03Å; E441-S467 PolarHBondContact OE1-OG 3.02Å; E441-S467 PolarHBondContact OE2-N 2.81Å | ||
| 442 | K | 86.1 | Confident | 82.4 | Confident | 119 Ų | 119 | 29.9 Ų | 29.9 | 52% | 0.517 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111.8 | -171.5 | -68.8 | 178.5 | -179.1 | 174.5 | 0 | 112 | C440 V463 | C440-K442 PolarHBondContact SG-O 3.07Å; K442-V463 HydrophobicContact CB-CG1 3.81Å; K442-V463 HydrophobicContact CD-CG1 4.25Å; K442-V463 HydrophobicContact CG-CG1 3.88Å |
| 443 | L | 90.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.5 | 165.7 | 177.7 | 61.2 | 0 | 0 | 0 | 108.7 | F365 I367 V406 F408 F445 V463 I464 I466 L525 | F365-L443 HydrophobicContact CD2-CD2 4.38Å; F365-L443 HydrophobicContact CE2-CD2 4.37Å; I367-L443 HydrophobicContact CD1-CD1 4.33Å; I367-L443 HydrophobicContact CD1-CD2 4.26Å; V406-L443 HydrophobicContact CG1-CD1 3.85Å; F408-L443 HydrophobicContact CB-CD1 3.74Å; F408-L443 HydrophobicContact CD2-CB 3.92Å; F408-L443 HydrophobicContact CD2-CD1 3.98Å; F408-L443 HydrophobicContact CE2-CB 4.3Å; F408-L443 HydrophobicContact CG-CD1 4.05Å; L443-F445 HydrophobicContact CD1-CZ 4.38Å; L443-F445 HydrophobicContact CD2-CE2 3.97Å; L443-F445 HydrophobicContact CD2-CZ 3.7Å; L443-F445 HydrophobicContact CG-CE2 3.67Å; L443-F445 HydrophobicContact CG-CZ 3.71Å; L443-V463 WeakPolarHBondContact O-CA 3.24Å; L443-I464 HydrophobicContact CB-CB 4.46Å; L443-I464 PolarHBondContact N-O 3.22Å; L443-I464 PolarHBondContact O-N 3.44Å; L443-I466 HydrophobicContact CB-CD1 4.09Å; L443-L525 HydrophobicContact CD2-CD2 3.76Å |
| 444 | K | 91.5 | Very high | 79.9 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.6 | -168 | -173.3 | 173.8 | -170.2 | 166.5 | 0 | 111.2 | E344 V406 S407 T461 V463 L509 | E344-K444 IonicContact OE1-NZ 3.05Å; E344-K444 PolarHBondContact OE1-NZ 2.89Å; E344-K444 IonicContact OE2-NZ 2.76Å; E344-K444 PolarHBondContact OE2-NZ 3.31Å; V406-K444 CarbonylContact C-O 3.54Å; V406-K444 WeakPolarHBondContact CA-O 3.5Å; S407-K444 PolarHBondContact N-O 3.26Å; S407-K444 PolarHBondContact O-N 2.82Å; K444-T461 HydrophobicContact CD-CG2 4.39Å; K444-T461 HydrophobicContact CG-CG2 3.85Å; K444-V463 HydrophobicContact CG-CG2 4.32Å; K444-L509 VanDerWaalsContact CE-O 3.31Å; K444-L509 WeakPolarHBondContact CE-O 3.43Å; K444-L509 PolarHBondContact NZ-O 2.97Å |
| 445 | F | 94.1 | Very high | 79.2 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 101.5 | 177.5 | -59.1 | -89.8 | 0 | 0 | 0 | 108.4 | I367 V406 L443 F447 T461 G462 I464 I488 L523 | I367-F445 HydrophobicContact CD1-CE1 4.26Å; I367-F445 HydrophobicContact CD1-CZ 4.36Å; I367-F445 HydrophobicContact CG2-CE1 3.96Å; V406-F445 HydrophobicContact CG1-CD1 4.29Å; V406-F445 HydrophobicContact CG1-CE1 3.95Å; V406-F445 HydrophobicContact CG2-CD1 3.92Å; V406-F445 HydrophobicContact CG2-CE1 4.01Å; L443-F445 HydrophobicContact CD1-CZ 4.38Å; L443-F445 HydrophobicContact CD2-CE2 3.97Å; L443-F445 HydrophobicContact CD2-CZ 3.7Å; L443-F445 HydrophobicContact CG-CE2 3.67Å; L443-F445 HydrophobicContact CG-CZ 3.71Å; F445-F447 HydrophobicContact CB-CE2 3.93Å; F445-T461 CarbonylContact O-C 3.53Å; F445-T461 WeakPolarHBondContact O-CA 3.24Å; F445-G462 PolarHBondContact N-O 3.1Å; F445-G462 PolarHBondContact O-N 3.32Å; F445-I464 HydrophobicContact CD2-CG1 4.5Å; F445-I464 HydrophobicContact CE2-CD1 3.58Å; F445-I464 HydrophobicContact CE2-CG1 3.83Å; F445-I464 HydrophobicContact CZ-CD1 4.1Å; F445-I488 HydrophobicContact CD2-CD1 4.43Å; F445-I488 HydrophobicContact CE2-CD1 4.39Å; F445-L523 HydrophobicContact CD1-CD2 3.75Å; F445-L523 HydrophobicContact CD2-CD2 4.38Å; F445-L523 HydrophobicContact CE1-CD2 3.51Å; F445-L523 HydrophobicContact CE2-CD2 4.17Å; F445-L523 HydrophobicContact CG-CD2 4.19Å; F445-L523 HydrophobicContact CZ-CD1 4.37Å; F445-L523 HydrophobicContact CZ-CD2 3.73Å |
| 446 | T | 93.9 | Very high | 79.3 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.4 | 179.7 | -46.4 | 0 | 0 | 0 | 0 | 109.2 | L405 F448 L509 | L405-T446 PolarHBondContact N-O 2.85Å; L405-T446 PolarHBondContact O-N 2.86Å; T446-F448 HydrophobicContact CG2-CD2 4.07Å; T446-F448 HydrophobicContact CG2-CE1 4.45Å; T446-F448 HydrophobicContact CG2-CE2 3.37Å; T446-F448 HydrophobicContact CG2-CZ 3.6Å; T446-L509 HydrophobicContact CG2-CD2 4.16Å |
| 447 | F | 94.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.3 | 178.4 | -67.4 | -93.7 | 0 | 0 | 0 | 109.9 | Y403 A404 W426 F445 I459 G460 L490 V521 | Y403-F447 WeakPolarHBondContact O-CA 3.48Å; A404-F447 HydrophobicContact CB-CD1 4.05Å; A404-F447 HydrophobicContact CB-CE1 3.52Å; A404-F447 HydrophobicContact CB-CZ 3.95Å; W426-F447 AromaticContact CH2-CD1 3.77Å; W426-F447 HydrophobicContact CH2-CD1 3.77Å; W426-F447 AromaticContact CH2-CE1 3.58Å; W426-F447 HydrophobicContact CH2-CE1 3.58Å; W426-F447 HydrophobicContact CZ2-CD1 4.38Å; W426-F447 HydrophobicContact CZ2-CE1 4.33Å; W426-F447 AromaticContact CZ3-CE1 3.89Å; W426-F447 HydrophobicContact CZ3-CE1 3.89Å; F445-F447 HydrophobicContact CB-CE2 3.93Å; F447-I459 HydrophobicContact CB-CB 4.25Å; F447-I459 PolarHBondContact O-N 3.33Å; F447-G460 PolarHBondContact N-O 3.21Å; F447-L490 HydrophobicContact CD2-CD1 3.55Å; F447-L490 HydrophobicContact CD2-CD2 3.87Å; F447-L490 HydrophobicContact CD2-CG 4.39Å; F447-L490 HydrophobicContact CE2-CD1 4.06Å; F447-L490 HydrophobicContact CE2-CD2 3.91Å; F447-L490 HydrophobicContact CG-CD1 4.07Å; F447-V521 HydrophobicContact CE1-CB 4.44Å; F447-V521 HydrophobicContact CE1-CG2 4.27Å; F447-V521 HydrophobicContact CE2-CB 4.15Å; F447-V521 HydrophobicContact CE2-CG1 3.84Å; F447-V521 HydrophobicContact CZ-CB 3.73Å; F447-V521 HydrophobicContact CZ-CG1 3.81Å; F447-V521 HydrophobicContact CZ-CG2 3.71Å |
| 448 | F | 92.4 | Very high | 80.7 | Confident | 28 Ų | 28 | 45.8 Ų | 45.8 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.7 | -176.2 | -72.8 | -86.4 | 0 | 0 | 0 | 110.7 | P402 Y403 L405 T446 N456 D457 P458 L509 | P402-F448 WeakPolarHBondContact CA-O 3.1Å; Y403-F448 HydrophobicContact CD1-CB 4.07Å; Y403-F448 HydrophobicContact CD2-CB 4.45Å; Y403-F448 HydrophobicContact CE1-CB 3.48Å; Y403-F448 VanDerWaalsContact CE1-CB 3.48Å; Y403-F448 HydrophobicContact CE1-CG 4.42Å; Y403-F448 HydrophobicContact CE2-CB 3.89Å; Y403-F448 AromaticContact CE2-CD2 3.87Å; Y403-F448 HydrophobicContact CE2-CD2 3.87Å; Y403-F448 HydrophobicContact CE2-CG 4.18Å; Y403-F448 AromaticContact CZ-CD2 3.99Å; Y403-F448 AromaticContact CZ-CG 3.83Å; Y403-F448 PolarHBondContact N-O 3.31Å; Y403-F448 PolarHBondContact O-N 2.92Å; L405-F448 HydrophobicContact CB-CD2 4.16Å; L405-F448 HydrophobicContact CB-CE2 3.97Å; L405-F448 HydrophobicContact CD2-CE2 3.86Å; T446-F448 HydrophobicContact CG2-CD2 4.07Å; T446-F448 HydrophobicContact CG2-CE1 4.45Å; T446-F448 HydrophobicContact CG2-CE2 3.37Å; T446-F448 HydrophobicContact CG2-CZ 3.6Å; F448-N456 HydrophobicContact CB-CB 4.28Å; F448-N456 HydrophobicContact CD1-CB 4.27Å; F448-N456 WeakPolarHBondContact CD1-O 3.49Å; F448-D457 CarbonylContact C-O 3.53Å; F448-D457 WeakPolarHBondContact CA-O 3.38Å; F448-P458 HydrophobicContact CD1-CB 4.14Å; F448-P458 HydrophobicContact CE1-CB 3.88Å; F448-L509 HydrophobicContact CE1-CD2 4.16Å; F448-L509 HydrophobicContact CZ-CD2 4.01Å |
| 449 | D | 89.7 | Confident | 81.7 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.1 | 166.6 | -167 | 3.6 | 0 | 0 | 0 | 108.6 | M378 V400 D401 N456 D457 I459 | M378-D449 HydrophobicContact CB-CB 4.32Å; M378-D449 HydrophobicContact CG-CB 3.84Å; V400-D449 HydrophobicContact CB-CB 4.42Å; V400-D449 HydrophobicContact CG1-CB 4.27Å; V400-D449 WeakPolarHBondContact CG1-OD2 3.44Å; D401-D449 PolarHBondContact N-OD1 2.82Å; D449-N456 VanDerWaalsContact O-CA 3.24Å; D449-N456 WeakPolarHBondContact O-CA 3.05Å; D449-N456 WeakPolarHBondContact O-CB 3.46Å; D449-D457 PolarHBondContact N-O 3.24Å; D449-D457 PolarHBondContact O-N 2.97Å; D449-I459 HydrophobicContact CB-CD1 4.15Å; D449-I459 HydrophobicContact CB-CG1 4.15Å |
| 450 | W | 86 | Confident | 82.9 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 25% | 0.254 | 22% | 0.217 | S | C | . | . | trans | -82.7 | 121.7 | -179.5 | 177.1 | 75.4 | 0 | 0 | 0 | 111.3 | D401 Y403 T417 Y419 R452 | D401-W450 HydrophobicContact CB-CB 4.07Å; D401-W450 HydrophobicContact CB-CE3 4.47Å; D401-W450 WeakPolarHBondContact O-CB 3.38Å; D401-W450 PolarHBondContact O-N 3.2Å; Y403-W450 HydrophobicContact CD1-CB 4.06Å; Y403-W450 HydrophobicContact CE1-CB 4.19Å; T417-W450 HydrophobicContact CG2-CB 3.68Å; T417-W450 HydrophobicContact CG2-CG 4.13Å; Y419-W450 HydrophobicContact CD1-CE3 4.35Å; Y419-W450 HydrophobicContact CE1-CD2 4.42Å; Y419-W450 AromaticContact CE1-CE3 3.66Å; Y419-W450 HydrophobicContact CE1-CE3 3.66Å; Y419-W450 AromaticContact CE1-CZ3 3.82Å; Y419-W450 HydrophobicContact CE1-CZ3 3.82Å; W450-R452 HydrophobicContact CH2-CB 3.87Å; W450-R452 HydrophobicContact CH2-CG 4.24Å; W450-R452 HydrophobicContact CZ2-CB 4.49Å; W450-R452 HydrophobicContact CZ3-CB 4.22Å | ||
| 451 | D | 76.8 | Confident | 83.8 | Confident | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | trans | -108.3 | 137.4 | 178.2 | -115.6 | -29.5 | 0 | 0 | 0 | 112.6 | K387 I453 N456 | K387-D451 WeakPolarHBondContact CE-OD1 3.39Å; K387-D451 IonicContact NZ-OD1 2.7Å; K387-D451 PolarHBondContact NZ-OD1 2.72Å; K387-D451 IonicContact NZ-OD2 2.75Å; K387-D451 PolarHBondContact NZ-OD2 2.97Å; D451-I453 VanDerWaalsContact C-N 3.31Å; D451-N456 PolarHBondContact N-OD1 3.4Å | ||
| 452 | R | 65.5 | Low | 84.5 | Confident | 178 Ų | 178 | 43.6 Ų | 43.6 | 67% | 0.672 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -71.9 | -29.2 | 175.3 | -173 | -179.4 | -70.2 | -177.1 | 0.9 | 111.8 | W450 | W450-R452 HydrophobicContact CH2-CB 3.87Å; W450-R452 HydrophobicContact CH2-CG 4.24Å; W450-R452 HydrophobicContact CZ2-CB 4.49Å; W450-R452 HydrophobicContact CZ3-CB 4.22Å |
| 453 | I | 58.1 | Low | 84.7 | Confident | 111 Ų | 111 | 40.9 Ų | 40.9 | 57% | 0.569 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -140.8 | 111.5 | 179.9 | -56.3 | 176 | 0 | 0 | 0 | 107.6 | T391 D451 | T391-I453 HydrophobicContact CG2-CD1 4.43Å; D451-I453 VanDerWaalsContact C-N 3.31Å |
| 454 | G | 63 | Low | 84.7 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 64% | 0.639 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 140 | -162.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 455 | Y | 67.2 | Low | 84.5 | Confident | 171 Ų | 171 | 41.1 Ų | 41.1 | 67% | 0.671 | 21% | 0.207 | S | C | * | . | P | Polyproline II helix | trans | -95 | 151.2 | 158.4 | -67.1 | -76.9 | 0 | 0 | 0 | 107.7 | D457 | Y455-D457 PolarHBondContact O-N 2.86Š|
| 456 | N | 81.2 | Confident | 84.1 | Confident | 47 Ų | 47 | 41.2 Ų | 41.2 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -74.4 | 124.4 | 174.7 | -64.1 | -19.9 | 0 | 0 | 0 | 109 | Y403 F448 D449 D451 | Y403-N456 HydrophobicContact CE1-CB 4.23Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.29Å; Y403-N456 PolarHBondContact OH-ND2 3.08Å; F448-N456 HydrophobicContact CB-CB 4.28Å; F448-N456 HydrophobicContact CD1-CB 4.27Å; F448-N456 WeakPolarHBondContact CD1-O 3.49Å; D449-N456 VanDerWaalsContact O-CA 3.24Å; D449-N456 WeakPolarHBondContact O-CA 3.05Å; D449-N456 WeakPolarHBondContact O-CB 3.46Å; D451-N456 PolarHBondContact N-OD1 3.4Å |
| 457 | D | 85 | Confident | 83.4 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132.1 | -174 | -71.2 | -29.4 | 0 | 0 | 0 | 111.5 | M378 F448 D449 Y455 I459 | M378-D457 HydrophobicContact CB-CB 4.33Å; M378-D457 HydrophobicContact CE-CB 3.73Å; M378-D457 HydrophobicContact CG-CB 4.42Å; F448-D457 CarbonylContact C-O 3.53Å; F448-D457 WeakPolarHBondContact CA-O 3.38Å; D449-D457 PolarHBondContact N-O 3.24Å; D449-D457 PolarHBondContact O-N 2.97Å; Y455-D457 PolarHBondContact O-N 2.86Å; D457-I459 PolarHBondContact O-N 3.2Å |
| 458 | P | 90.1 | Very high | 83 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 119 | 177.1 | 29 | -33.1 | 0 | 0 | 0 | 110.5 | M378 F448 E505 N508 L509 | M378-P458 WeakPolarHBondContact CE-O 3.46Å; F448-P458 HydrophobicContact CD1-CB 4.14Å; F448-P458 HydrophobicContact CE1-CB 3.88Å; P458-E505 HydrophobicContact CG-CG 3.93Å; P458-N508 HydrophobicContact CB-CB 3.84Å; P458-N508 HydrophobicContact CG-CB 3.99Å; P458-N508 WeakPolarHBondContact O-CB 3.45Å; P458-N508 PolarHBondContact O-ND2 2.92Å; P458-L509 HydrophobicContact CB-CD2 3.6Å; P458-L509 HydrophobicContact CB-CG 3.99Å; P458-L509 HydrophobicContact CG-CD2 4.02Å; P458-L509 HydrophobicContact CG-CG 4.01Å |
| 459 | I | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -46.4 | -179.8 | -57.8 | 174.2 | 0 | 0 | 0 | 110.4 | L375 P376 M378 V400 P402 F447 D449 D457 R518 | L375-I459 HydrophobicContact CB-CG2 4.5Å; L375-I459 HydrophobicContact CD2-CG2 4.31Å; P376-I459 HydrophobicContact CG-CG2 3.89Å; M378-I459 HydrophobicContact CG-CG1 3.99Å; M378-I459 HydrophobicContact SD-CB 4.35Å; M378-I459 HydrophobicContact SD-CG1 4.07Å; M378-I459 HydrophobicContact SD-CG2 4.44Å; V400-I459 HydrophobicContact CB-CD1 4.31Å; V400-I459 HydrophobicContact CG1-CD1 4.34Å; V400-I459 HydrophobicContact CG2-CD1 4.36Å; P402-I459 HydrophobicContact CB-CD1 4.13Å; F447-I459 HydrophobicContact CB-CB 4.25Å; F447-I459 PolarHBondContact O-N 3.33Å; D449-I459 HydrophobicContact CB-CD1 4.15Å; D449-I459 HydrophobicContact CB-CG1 4.15Å; D457-I459 PolarHBondContact O-N 3.2Å; I459-R518 WeakPolarHBondContact O-CB 3.41Å; I459-R518 PolarHBondContact O-NE 3.29Å |
| 460 | G | 91.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | 163.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F447 N508 | F447-G460 PolarHBondContact N-O 3.21Å; G460-N508 CarbonylContact C-O 3.55Å; G460-N508 WeakPolarHBondContact CA-O 3.28Å |
| 461 | T | 93.7 | Very high | 82 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.9 | -178.2 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | K444 F445 V463 N508 L509 G510 | K444-T461 HydrophobicContact CD-CG2 4.39Å; K444-T461 HydrophobicContact CG-CG2 3.85Å; F445-T461 CarbonylContact O-C 3.53Å; F445-T461 WeakPolarHBondContact O-CA 3.24Å; T461-V463 HydrophobicContact CG2-CG2 3.98Å; T461-N508 WeakPolarHBondContact CB-O 3.26Å; T461-N508 PolarHBondContact N-O 3.01Å; T461-N508 PolarHBondContact OG1-O 2.91Å; T461-L509 VanDerWaalsContact OG1-C 3.23Å; T461-L509 WeakPolarHBondContact OG1-CA 3.46Å; T461-G510 PolarHBondContact OG1-N 2.99Å |
| 462 | G | 91.7 | Very high | 81.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 150.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F445 L490 | F445-G462 PolarHBondContact N-O 3.1Å; F445-G462 PolarHBondContact O-N 3.32Å; G462-L490 VanDerWaalsContact N-CD2 3.34Å |
| 463 | V | 90.7 | Very high | 81.3 | Confident | 63 Ų | 63 | 41.5 Ų | 41.5 | 38% | 0.382 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.7 | 177.9 | -178 | 0 | 0 | 0 | 0 | 109.1 | K442 L443 K444 T461 | K442-V463 HydrophobicContact CB-CG1 3.81Å; K442-V463 HydrophobicContact CD-CG1 4.25Å; K442-V463 HydrophobicContact CG-CG1 3.88Å; L443-V463 WeakPolarHBondContact O-CA 3.24Å; K444-V463 HydrophobicContact CG-CG2 4.32Å; T461-V463 HydrophobicContact CG2-CG2 3.98Å |
| 464 | I | 89.5 | Confident | 81.2 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.7 | 168.2 | -53.6 | 174.8 | 0 | 0 | 0 | 108.2 | L443 F445 I469 F483 I488 L523 | L443-I464 HydrophobicContact CB-CB 4.46Å; L443-I464 PolarHBondContact N-O 3.22Å; L443-I464 PolarHBondContact O-N 3.44Å; F445-I464 HydrophobicContact CD2-CG1 4.5Å; F445-I464 HydrophobicContact CE2-CD1 3.58Å; F445-I464 HydrophobicContact CE2-CG1 3.83Å; F445-I464 HydrophobicContact CZ-CD1 4.1Å; I464-I469 HydrophobicContact CG2-CB 4.35Å; I464-I469 HydrophobicContact CG2-CD1 3.79Å; I464-I469 HydrophobicContact CG2-CG1 3.93Å; I464-I469 HydrophobicContact CG2-CG2 3.51Å; I464-F483 HydrophobicContact CD1-CB 4.45Å; I464-F483 HydrophobicContact CD1-CD1 4.13Å; I464-F483 HydrophobicContact CD1-CD2 4.26Å; I464-F483 HydrophobicContact CD1-CE1 4.48Å; I464-F483 HydrophobicContact CD1-CG 4.03Å; I464-I488 HydrophobicContact CD1-CD1 3.6Å; I464-I488 HydrophobicContact CG1-CD1 3.59Å; I464-L523 HydrophobicContact CD1-CD1 4.27Å |
| 465 | S | 87.9 | Confident | 80.7 | Confident | 26 Ų | 26 | 45 Ų | 45 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.1 | 173.3 | -28.7 | 0 | 0 | 0 | 0 | 109.5 | E441 S467 Q468 I469 | E441-S465 CarbonylContact O-C 3.5Å; E441-S465 VanDerWaalsContact O-CA 3.25Å; E441-S465 WeakPolarHBondContact O-CA 3.14Å; E441-S465 WeakPolarHBondContact OE1-CB 3.16Å; S465-S467 VanDerWaalsContact C-N 3.29Å; S465-S467 PolarHBondContact O-N 3.34Å; S465-Q468 VanDerWaalsContact CB-OE1 3.22Å; S465-Q468 WeakPolarHBondContact O-CB 3.45Å; S465-Q468 PolarHBondContact O-N 3.37Å; S465-Q468 VanDerWaalsContact OG-CD 3.31Å; S465-Q468 PolarHBondContact OG-OE1 3.02Å; S465-I469 PolarHBondContact O-N 2.98Å |
| 466 | I | 85.5 | Confident | 80 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -61.3 | -37.3 | -174.2 | -61.6 | -54.9 | 0 | 0 | 0 | 111.9 | F365 F408 C440 E441 L443 Q468 I469 S470 P481 | F365-I466 HydrophobicContact CE2-CD1 4.19Å; F365-I466 HydrophobicContact CZ-CD1 3.85Å; F408-I466 HydrophobicContact CE2-CD1 3.95Å; F408-I466 HydrophobicContact CE2-CG1 3.72Å; F408-I466 HydrophobicContact CZ-CD1 4.3Å; F408-I466 HydrophobicContact CZ-CG1 4.06Å; C440-I466 WeakPolarHBondContact O-CG1 3.2Å; E441-I466 PolarHBondContact O-N 2.56Å; E441-I466 PolarHBondContact OE1-N 3.23Å; E441-I466 VanDerWaalsContact OE1-N 3.1Å; L443-I466 HydrophobicContact CB-CD1 4.09Å; I466-Q468 PolarHBondContact O-N 3.32Å; I466-I469 HydrophobicContact CD1-CD1 4.17Å; I466-I469 WeakPolarHBondContact O-CG1 3.43Å; I466-I469 PolarHBondContact O-N 3.44Å; I466-I469 VanDerWaalsContact O-N 3.17Å; I466-S470 PolarHBondContact O-N 3.09Å; I466-S470 PolarHBondContact O-OG 3.49Å; I466-P481 HydrophobicContact CG2-CB 4.42Å; I466-P481 HydrophobicContact CG2-CG 3.92Å |
| 467 | S | 79.3 | Confident | 79 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -65 | -22.1 | 175.4 | 64.7 | 0 | 0 | 0 | 0 | 114 | E441 S465 | E441-S467 VanDerWaalsContact OE1-CB 3.23Å; E441-S467 WeakPolarHBondContact OE1-CB 3.41Å; E441-S467 PolarHBondContact OE1-N 3.03Å; E441-S467 PolarHBondContact OE1-OG 3.02Å; E441-S467 PolarHBondContact OE2-N 2.81Å; S465-S467 VanDerWaalsContact C-N 3.29Å; S465-S467 PolarHBondContact O-N 3.34Å |
| 468 | Q | 85.9 | Confident | 78.4 | Confident | 67 Ų | 67 | 44.7 Ų | 44.7 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -86.5 | -16.6 | 177.2 | -65.2 | 170.6 | -18.7 | 0 | 0 | 112.3 | S465 I466 M704 I752 P754 | S465-Q468 VanDerWaalsContact CB-OE1 3.22Å; S465-Q468 WeakPolarHBondContact O-CB 3.45Å; S465-Q468 PolarHBondContact O-N 3.37Å; S465-Q468 VanDerWaalsContact OG-CD 3.31Å; S465-Q468 PolarHBondContact OG-OE1 3.02Å; I466-Q468 PolarHBondContact O-N 3.32Å; Q468-M704 WeakPolarHBondContact O-CE 3.22Å; Q468-I752 HydrophobicContact CG-CG2 4.08Å; Q468-P754 HydrophobicContact CB-CB 4.38Å |
| 469 | I | 89.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -114.6 | 13.9 | -177.5 | 65.1 | 151.3 | 0 | 0 | 0 | 114.6 | I464 S465 I466 F479 P481 T482 F483 L525 M704 P754 | I464-I469 HydrophobicContact CG2-CB 4.35Å; I464-I469 HydrophobicContact CG2-CD1 3.79Å; I464-I469 HydrophobicContact CG2-CG1 3.93Å; I464-I469 HydrophobicContact CG2-CG2 3.51Å; S465-I469 PolarHBondContact O-N 2.98Å; I466-I469 HydrophobicContact CD1-CD1 4.17Å; I466-I469 WeakPolarHBondContact O-CG1 3.43Å; I466-I469 PolarHBondContact O-N 3.44Å; I466-I469 VanDerWaalsContact O-N 3.17Å; I469-F479 WeakPolarHBondContact O-CE2 3.48Å; I469-P481 HydrophobicContact CD1-CB 3.81Å; I469-P481 HydrophobicContact CG1-CB 4.24Å; I469-P481 VanDerWaalsContact O-CA 3.29Å; I469-P481 WeakPolarHBondContact O-CA 3.2Å; I469-T482 PolarHBondContact O-N 3.19Å; I469-F483 HydrophobicContact CD1-CB 4.39Å; I469-F483 HydrophobicContact CG2-CB 4.27Å; I469-F483 HydrophobicContact CG2-CD2 4.08Å; I469-L525 HydrophobicContact CD1-CD2 3.48Å; I469-L525 VanDerWaalsContact CD1-CD2 3.48Å; I469-M704 HydrophobicContact CB-CE 4.2Å; I469-M704 HydrophobicContact CG2-CE 4.19Å; I469-P754 HydrophobicContact CG2-CB 3.84Å; I469-P754 HydrophobicContact CG2-CG 4Å |
| 470 | S | 84.9 | Confident | 77.9 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | trans | -147.5 | 160.2 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | I466 F479 | I466-S470 PolarHBondContact O-N 3.09Å; I466-S470 PolarHBondContact O-OG 3.49Å; S470-F479 VanDerWaalsContact CA-CE2 3.5Å | ||
| 471 | A | 73.7 | Confident | 77.8 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -141.3 | 119.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G478 F479 L711 | A471-G478 CarbonylContact O-C 3.58Å; A471-G478 WeakPolarHBondContact O-CA 3.46Å; A471-F479 HydrophobicContact CB-CD1 3.65Å; A471-F479 HydrophobicContact CB-CE1 3.35Å; A471-F479 HydrophobicContact CB-CZ 4.09Å; A471-F479 PolarHBondContact N-O 3.34Å; A471-F479 PolarHBondContact O-N 3.42Å; A471-L711 HydrophobicContact CB-CD1 4.2Å |
| 472 | F | 65.8 | Low | 77.8 | Confident | 92 Ų | 92 | 48.2 Ų | 48.2 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | trans | -96.5 | 106.7 | -178.2 | -157.8 | -104.2 | 0 | 0 | 0 | 110.7 | Q216 A317 | Q216-F472 HydrophobicContact CB-CD1 4Å; Q216-F472 HydrophobicContact CB-CE1 4.31Å; Q216-F472 HydrophobicContact CG-CD1 3.77Å; Q216-F472 HydrophobicContact CG-CE1 4.13Å; A317-F472 VanDerWaalsContact O-CE1 3.23Å; A317-F472 WeakPolarHBondContact O-CE1 3.16Å; A317-F472 WeakPolarHBondContact O-CZ 3.12Å | ||
| 473 | R | 62.8 | Low | 78 | Confident | 58 Ų | 58 | 48.2 Ų | 48.2 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | trans | -136.9 | 147.4 | -177.1 | -67 | 177.8 | 167.5 | -174.8 | -7.1 | 109.5 | D714 | R473-D714 IonicContact NH1-OD2 3.86Å; R473-D714 PolarHBondContact NH1-OD2 3.25Å | ||
| 474 | D | 54.9 | Low | 78.1 | Confident | 110 Ų | 110 | 45.3 Ų | 45.3 | 59% | 0.588 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -73.1 | -35.6 | -178.4 | -68.3 | -64.8 | 0 | 0 | 0 | 113.5 | Q216 K318 N476 | Q216-D474 PolarHBondContact NE2-OD1 3.3Å; Q216-D474 PolarHBondContact NE2-OD2 3.12Å; Q216-D474 VanDerWaalsContact NE2-OD2 3.07Å; K318-D474 IonicContact NZ-OD1 2.68Å; K318-D474 PolarHBondContact NZ-OD1 3.26Å; D474-N476 VanDerWaalsContact C-N 3.27Å; D474-N476 PolarHBondContact O-N 2.72Å |
| 475 | D | 52 | Low | 78.4 | Confident | 136 Ų | 136 | 45.9 Ų | 45.9 | 73% | 0.727 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -81.6 | 34.5 | -161.6 | -57.5 | -54.5 | 0 | 0 | 0 | 116.1 | D477 | D475-D477 PolarHBondContact O-N 2.85Š|
| 476 | N | 52.5 | Low | 78.7 | Confident | 163 Ų | 163 | 44.8 Ų | 44.8 | 87% | 0.872 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 57.9 | 2.2 | -167.9 | -67.5 | -46.4 | 0 | 0 | 0 | 115.6 | D474 | D474-N476 VanDerWaalsContact C-N 3.27Å; D474-N476 PolarHBondContact O-N 2.72Å |
| 477 | D | 60.8 | Low | 79.2 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | trans | -95.7 | 8.9 | -177 | -84.8 | 1 | 0 | 0 | 0 | 114 | D475 K710 | D475-D477 PolarHBondContact O-N 2.85Å; D477-K710 IonicContact OD1-NZ 2.66Å; D477-K710 PolarHBondContact OD1-NZ 2.8Å; D477-K710 WeakPolarHBondContact OD2-CE 3.41Å; D477-K710 IonicContact OD2-NZ 4Å; D477-K710 PolarHBondContact OD2-NZ 2.68Å | ||
| 478 | G | 72.5 | Confident | 79.9 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | trans | -87.1 | 171.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A471 | A471-G478 CarbonylContact O-C 3.58Å; A471-G478 WeakPolarHBondContact O-CA 3.46Å | ||
| 479 | F | 84.2 | Confident | 80.4 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 10% | 0.101 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -145 | 146.6 | 173.2 | 62.7 | -81.3 | 0 | 0 | 0 | 111.8 | I469 S470 A471 M704 H707 | I469-F479 WeakPolarHBondContact O-CE2 3.48Å; S470-F479 VanDerWaalsContact CA-CE2 3.5Å; A471-F479 HydrophobicContact CB-CD1 3.65Å; A471-F479 HydrophobicContact CB-CE1 3.35Å; A471-F479 HydrophobicContact CB-CZ 4.09Å; A471-F479 PolarHBondContact N-O 3.34Å; A471-F479 PolarHBondContact O-N 3.42Å; F479-M704 HydrophobicContact CE2-CE 4.23Å; F479-M704 HydrophobicContact CE2-SD 3.56Å; F479-M704 VanDerWaalsContact CE2-SD 3.56Å; F479-M704 HydrophobicContact CZ-CE 4.39Å; F479-M704 HydrophobicContact CZ-SD 4.07Å; F479-H707 WeakPolarHBondContact CB-ND1 3.17Å; F479-H707 HydrophobicContact CD1-CB 3.68Å; F479-H707 AromaticContact CD1-CG 3.97Å; F479-H707 HydrophobicContact CD2-CB 3.95Å; F479-H707 AromaticContact CD2-CG 3.99Å; F479-H707 AromaticContact CD2-ND1 3.48Å; F479-H707 WeakPolarHBondContact CD2-ND1 3.14Å; F479-H707 HydrophobicContact CE1-CB 3.73Å; F479-H707 HydrophobicContact CE2-CB 3.99Å; F479-H707 HydrophobicContact CG-CB 3.8Å; F479-H707 AromaticContact CG-CG 3.7Å; F479-H707 AromaticContact CG-ND1 3.44Å; F479-H707 WeakPolarHBondContact CG-ND1 3.34Å; F479-H707 HydrophobicContact CZ-CB 3.89Å |
| 480 | L | 86.5 | Confident | 80.7 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | trans | -70.2 | 166.4 | 175.3 | -60.2 | 178.1 | 0 | 0 | 0 | 110.8 | F436 T482 T527 L529 | F436-L480 HydrophobicContact CD1-CD2 4.31Å; F436-L480 HydrophobicContact CE1-CD2 3.53Å; F436-L480 HydrophobicContact CE2-CD2 4.15Å; F436-L480 HydrophobicContact CZ-CD2 3.45Å; F436-L480 VanDerWaalsContact CZ-CD2 3.45Å; L480-T482 PolarHBondContact O-N 3.44Å; L480-T482 PolarHBondContact O-OG1 2.8Å; L480-T527 HydrophobicContact CB-CG2 4.38Å; L480-T527 HydrophobicContact CD1-CG2 4.37Å; L480-L529 HydrophobicContact CD1-CD1 4.14Å; L480-L529 HydrophobicContact CD1-CD2 4.28Å; L480-L529 HydrophobicContact CD1-CG 3.87Å; L480-L529 HydrophobicContact CD2-CD1 4.39Å; L480-L529 HydrophobicContact CD2-CD2 4.45Å | ||
| 481 | P | 89.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -56.9 | 109.8 | 175.8 | -23.7 | 33.3 | 0 | 0 | 0 | 112 | F365 F436 I466 I469 T527 | F365-P481 HydrophobicContact CE1-CB 3.9Å; F365-P481 HydrophobicContact CE1-CG 4.14Å; F365-P481 HydrophobicContact CZ-CB 4.35Å; F436-P481 VanDerWaalsContact CE2-CD 3.49Å; F436-P481 HydrophobicContact CE2-CG 3.92Å; I466-P481 HydrophobicContact CG2-CB 4.42Å; I466-P481 HydrophobicContact CG2-CG 3.92Å; I469-P481 HydrophobicContact CD1-CB 3.81Å; I469-P481 HydrophobicContact CG1-CB 4.24Å; I469-P481 VanDerWaalsContact O-CA 3.29Å; I469-P481 WeakPolarHBondContact O-CA 3.2Å; P481-T527 WeakPolarHBondContact CB-OG1 3.32Å; P481-T527 PolarHBondContact O-N 2.73Å; P481-T527 PolarHBondContact O-OG1 2.81Å |
| 482 | T | 93.6 | Very high | 82 | Confident | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | trans | -135.9 | 131.4 | -177.3 | -66.4 | 0 | 0 | 0 | 0 | 108.7 | I469 L480 L525 E703 M704 | I469-T482 PolarHBondContact O-N 3.19Å; L480-T482 PolarHBondContact O-N 3.44Å; L480-T482 PolarHBondContact O-OG1 2.8Å; T482-L525 WeakPolarHBondContact CA-O 3.33Å; T482-E703 HydrophobicContact CG2-CB 3.96Å; T482-E703 HydrophobicContact CG2-CG 4.06Å; T482-M704 HydrophobicContact CG2-CB 4.49Å; T482-M704 VanDerWaalsContact O-SD 3.38Å | ||
| 483 | F | 96.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.3 | 177.3 | 172.2 | -81 | 0 | 0 | 0 | 110.7 | I464 I469 I488 L523 E524 L525 Q755 | I464-F483 HydrophobicContact CD1-CB 4.45Å; I464-F483 HydrophobicContact CD1-CD1 4.13Å; I464-F483 HydrophobicContact CD1-CD2 4.26Å; I464-F483 HydrophobicContact CD1-CE1 4.48Å; I464-F483 HydrophobicContact CD1-CG 4.03Å; I469-F483 HydrophobicContact CD1-CB 4.39Å; I469-F483 HydrophobicContact CG2-CB 4.27Å; I469-F483 HydrophobicContact CG2-CD2 4.08Å; F483-I488 HydrophobicContact CE1-CD1 3.96Å; F483-I488 HydrophobicContact CE1-CG1 3.9Å; F483-I488 HydrophobicContact CE2-CG1 4.42Å; F483-I488 HydrophobicContact CZ-CD1 3.9Å; F483-I488 HydrophobicContact CZ-CG1 3.53Å; F483-L523 HydrophobicContact CD1-CD1 3.65Å; F483-L523 HydrophobicContact CE1-CD1 3.79Å; F483-L523 HydrophobicContact CE1-CG 4.42Å; F483-E524 CarbonylContact O-C 3.49Å; F483-E524 WeakPolarHBondContact O-CA 3.17Å; F483-L525 HydrophobicContact CB-CB 4.2Å; F483-L525 PolarHBondContact N-O 3.26Å; F483-L525 PolarHBondContact O-N 2.87Å; F483-Q755 HydrophobicContact CD2-CG 4.02Å; F483-Q755 HydrophobicContact CE2-CB 4.38Å; F483-Q755 HydrophobicContact CE2-CG 3.86Å |
| 484 | G | 93.2 | Very high | 84.2 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.9 | -168.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115 | S486 N702 Q755 | G484-S486 VanDerWaalsContact CA-N 3.29Å; G484-N702 WeakPolarHBondContact CA-ND2 2.4Å; G484-N702 VanDerWaalsContact O-CB 3.32Å; G484-N702 WeakPolarHBondContact O-CB 3.11Å; G484-N702 VanDerWaalsContact O-CG 3.28Å; G484-N702 PolarHBondContact O-ND2 2.89Å; G484-Q755 VanDerWaalsContact CA-OE1 3.28Å |
| 485 | P | 94.5 | Very high | 85.3 | Confident | 18 Ų | 18 | 29 Ų | 29 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -62.4 | 127.7 | 5.9 | 5.1 | -7.7 | 0 | 0 | 0 | 113.3 | Y370 L522 L523 E524 I549 N702 | Y370-P485 HydrophobicContact CE2-CB 4.45Å; P485-L522 HydrophobicContact CB-CD1 4.41Å; P485-L523 WeakPolarHBondContact CA-O 2.99Å; P485-E524 HydrophobicContact CB-CB 4.13Å; P485-E524 WeakPolarHBondContact CD-OE2 3.27Å; P485-E524 HydrophobicContact CG-CB 4.43Å; P485-E524 HydrophobicContact CG-CG 4.49Å; P485-E524 WeakPolarHBondContact CG-OE2 3.22Å; P485-I549 HydrophobicContact CB-CD1 3.22Å; P485-I549 HydrophobicContact CG-CD1 3.66Å; P485-N702 PolarHBondContact O-ND2 3.16Å |
| 486 | S | 95.3 | Very high | 86 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 159.9 | 176.5 | -149.7 | 0 | 0 | 0 | 0 | 111.9 | G484 L522 L523 R638 | G484-S486 VanDerWaalsContact CA-N 3.29Å; S486-L522 VanDerWaalsContact C-CD1 3.45Å; S486-L522 WeakPolarHBondContact O-CD1 3.47Å; S486-L523 PolarHBondContact N-O 2.99Å; S486-L523 PolarHBondContact O-N 3.29Å; S486-R638 PolarHBondContact OG-NH1 3.17Å |
| 487 | F | 95.6 | Very high | 86.6 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 2% | 0.022 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 144.2 | 176.2 | -74.4 | -89.9 | 0 | 0 | 0 | 111.7 | E373 R520 V521 L522 L553 | E373-F487 HydrophobicContact CG-CE1 3.98Å; F487-R520 HydrophobicContact CB-CG 4.48Å; F487-R520 HydrophobicContact CD1-CB 4.16Å; F487-R520 HydrophobicContact CD1-CG 3.62Å; F487-R520 HydrophobicContact CE1-CG 4.1Å; F487-R520 HydrophobicContact CG-CG 4.29Å; F487-V521 CarbonylContact C-O 3.4Å; F487-V521 VanDerWaalsContact CA-O 3.22Å; F487-V521 WeakPolarHBondContact CA-O 3.5Å; F487-L522 HydrophobicContact CD1-CB 3.77Å; F487-L522 HydrophobicContact CD2-CB 4.45Å; F487-L522 HydrophobicContact CD2-CD1 4.17Å; F487-L522 HydrophobicContact CE1-CB 3.61Å; F487-L522 HydrophobicContact CE2-CB 4.29Å; F487-L522 HydrophobicContact CE2-CD1 4.32Å; F487-L522 HydrophobicContact CE2-CD2 4.2Å; F487-L522 HydrophobicContact CG-CB 4.21Å; F487-L522 HydrophobicContact CG-CD1 4.43Å; F487-L522 HydrophobicContact CZ-CB 3.89Å; F487-L522 HydrophobicContact CZ-CD2 4.12Å; F487-L522 HydrophobicContact CZ-CG 4.48Å; F487-L553 HydrophobicContact CE2-CD2 4.18Å; F487-L553 HydrophobicContact CZ-CD2 3.99Å |
| 488 | I | 94.9 | Very high | 86.6 | Confident | 18 Ų | 18 | 23.7 Ų | 23.7 | 9% | 0.092 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.1 | 167.9 | -58.6 | 174.3 | 0 | 0 | 0 | 108.1 | F445 I464 F483 R520 V521 L523 | F445-I488 HydrophobicContact CD2-CD1 4.43Å; F445-I488 HydrophobicContact CE2-CD1 4.39Å; I464-I488 HydrophobicContact CD1-CD1 3.6Å; I464-I488 HydrophobicContact CG1-CD1 3.59Å; F483-I488 HydrophobicContact CE1-CD1 3.96Å; F483-I488 HydrophobicContact CE1-CG1 3.9Å; F483-I488 HydrophobicContact CE2-CG1 4.42Å; F483-I488 HydrophobicContact CZ-CD1 3.9Å; F483-I488 HydrophobicContact CZ-CG1 3.53Å; I488-R520 CarbonylContact O-C 3.5Å; I488-R520 VanDerWaalsContact O-CA 3.24Å; I488-R520 WeakPolarHBondContact O-CA 3.29Å; I488-R520 WeakPolarHBondContact O-CB 3.49Å; I488-V521 HydrophobicContact CB-CG1 4.1Å; I488-V521 PolarHBondContact N-O 2.91Å; I488-V521 PolarHBondContact O-N 2.9Å; I488-L523 HydrophobicContact CD1-CD1 4.16Å; I488-L523 HydrophobicContact CD1-CD2 3.91Å; I488-L523 HydrophobicContact CD1-CG 4.09Å |
| 489 | N | 95.6 | Very high | 85.8 | Confident | 17 Ų | 17 | 27.5 Ų | 27.5 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.1 | 178.8 | -69.9 | -56.5 | 0 | 0 | 0 | 111.3 | Y491 R520 M756 S757 I758 P759 | N489-Y491 HydrophobicContact CB-CE2 3.74Å; N489-R520 WeakPolarHBondContact OD1-CB 3.33Å; N489-R520 WeakPolarHBondContact OD1-CD 3.26Å; N489-M756 PolarHBondContact ND2-O 2.93Å; N489-S757 PolarHBondContact ND2-O 2.81Å; N489-S757 PolarHBondContact OD1-O 2.75Å; N489-I758 VanDerWaalsContact ND2-C 3.33Å; N489-I758 PolarHBondContact ND2-O 3.37Å; N489-P759 WeakPolarHBondContact OD1-CG 3.38Å |
| 490 | L | 95 | Very high | 84.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.3 | 178.7 | -51.3 | 176 | 0 | 0 | 0 | 109.4 | L375 F447 G462 R518 G519 V521 | L375-L490 HydrophobicContact CD2-CD1 4.05Å; F447-L490 HydrophobicContact CD2-CD1 3.55Å; F447-L490 HydrophobicContact CD2-CD2 3.87Å; F447-L490 HydrophobicContact CD2-CG 4.39Å; F447-L490 HydrophobicContact CE2-CD1 4.06Å; F447-L490 HydrophobicContact CE2-CD2 3.91Å; F447-L490 HydrophobicContact CG-CD1 4.07Å; G462-L490 VanDerWaalsContact N-CD2 3.34Å; L490-R518 HydrophobicContact CB-CB 4.25Å; L490-R518 PolarHBondContact O-N 2.82Å; L490-G519 WeakPolarHBondContact CA-O 3.04Å; L490-G519 VanDerWaalsContact CB-O 3.26Å; L490-G519 WeakPolarHBondContact CB-O 3.34Å; L490-G519 PolarHBondContact N-O 3.28Å; L490-V521 HydrophobicContact CD2-CG1 4.33Å |
| 491 | Y | 94.3 | Very high | 84 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 155.1 | 176.4 | -63.9 | -84.1 | 0 | 0 | 0 | 111.2 | N489 A516 D760 | N489-Y491 HydrophobicContact CB-CE2 3.74Å; Y491-A516 VanDerWaalsContact CA-O 3.29Å; Y491-A516 WeakPolarHBondContact CA-O 3.08Å; Y491-D760 HydrophobicContact CE1-CB 4.39Å; Y491-D760 WeakPolarHBondContact OH-CB 3.38Å; Y491-D760 VanDerWaalsContact OH-CG 3.29Å; Y491-D760 PolarHBondContact OH-N 3.35Å; Y491-D760 PolarHBondContact OH-OD1 3Å; Y491-D760 VanDerWaalsContact OH-OD1 3.12Å |
| 492 | G | 92 | Very high | 83.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | -150.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N508 G514 V515 A516 | G492-N508 VanDerWaalsContact CA-OD1 3.27Å; G492-N508 WeakPolarHBondContact CA-OD1 3.19Å; G492-G514 CarbonylContact O-C 3.57Å; G492-V515 PolarHBondContact O-N 3.35Å; G492-A516 PolarHBondContact N-O 3.3Å; G492-A516 PolarHBondContact O-N 2.68Å; G492-A516 VanDerWaalsContact O-N 3.12Å |
| 493 | S | 89.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -67.2 | 158.4 | -177.6 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | R495 D502 N508 A516 R518 | S493-R495 PolarHBondContact O-N 3.48Å; S493-D502 WeakPolarHBondContact CB-OD2 3.41Å; S493-D502 PolarHBondContact OG-OD2 2.65Å; S493-N508 PolarHBondContact N-OD1 3.02Å; S493-N508 PolarHBondContact OG-ND2 2.68Å; S493-N508 PolarHBondContact OG-OD1 2.75Å; S493-N508 VanDerWaalsContact OG-OD1 3.11Å; S493-A516 WeakPolarHBondContact O-CB 3.17Å; S493-R518 PolarHBondContact O-NH1 3.49Å |
| 494 | P | 86.2 | Confident | 82.2 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | trans | -52.1 | 132.2 | 173.5 | -22.2 | 31.9 | 0 | 0 | 0 | 111.7 | E496 Y504 V515 W764 P806 | P494-E496 VanDerWaalsContact C-N 3.33Å; P494-E496 HydrophobicContact CB-CG 4.46Å; P494-E496 PolarHBondContact O-N 2.88Å; P494-Y504 HydrophobicContact CG-CD2 3.75Å; P494-Y504 HydrophobicContact CG-CE2 4.05Å; P494-V515 HydrophobicContact CG-CG2 3.7Å; P494-W764 HydrophobicContact CB-CH2 4.21Å; P494-W764 HydrophobicContact CG-CH2 4.39Å; P494-P806 HydrophobicContact CG-CB 4.28Å; P494-P806 HydrophobicContact CG-CG 4.03Å | ||
| 495 | R | 77.4 | Confident | 81.8 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | trans | -74.1 | 88.2 | 166.8 | -76.6 | 178.4 | 164.7 | -157.5 | 1.5 | 108.8 | D374 S493 N586 N589 L591 D592 R771 | D374-R495 PolarHBondContact O-NH2 2.93Å; S493-R495 PolarHBondContact O-N 3.48Å; R495-N586 PolarHBondContact NH1-OD1 2.9Å; R495-N586 VanDerWaalsContact NH1-OD1 3.08Å; R495-N586 PolarHBondContact NH2-OD1 3.36Å; R495-N586 VanDerWaalsContact NH2-OD1 3.17Å; R495-N589 PolarHBondContact NH1-ND2 2.98Å; R495-L591 WeakPolarHBondContact O-CD1 3.46Å; R495-D592 IonicContact CZ-OD2 2.62Å; R495-D592 IonicContact NH1-OD2 3.2Å; R495-D592 PolarHBondContact NH1-OD2 2.89Å; R495-D592 IonicContact NH2-OD2 2.58Å; R495-R771 PolarHBondContact O-NH1 2.86Å | ||
| 496 | E | 67.2 | Low | 81.4 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 42% | 0.416 | 27% | 0.269 | S | S | . | . | trans | -125.5 | 114.1 | 165.6 | -65.3 | -163.9 | 141.7 | 0 | 0 | 108.4 | P494 S498 R771 | P494-E496 VanDerWaalsContact C-N 3.33Å; P494-E496 HydrophobicContact CB-CG 4.46Å; P494-E496 PolarHBondContact O-N 2.88Å; E496-S498 PolarHBondContact O-N 2.9Å; E496-R771 WeakPolarHBondContact OE1-CB 3.36Å; E496-R771 PolarHBondContact OE1-N 3.15Å | ||
| 497 | Y | 63.9 | Low | 81.1 | Confident | 112 Ų | 112 | 52.1 Ų | 52.1 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | trans | -72.5 | 108.1 | 174.5 | -63 | -65.4 | 0 | 0 | 0 | 109.1 | R377 | R377-Y497 HydrophobicContact CB-CE1 4.1Š| ||
| 498 | S | 60.2 | Low | 80.8 | Confident | 57 Ų | 57 | 52 Ų | 52 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | trans | -137.5 | 147.5 | -177 | 109.9 | 0 | 0 | 0 | 0 | 110.6 | E496 L500 | E496-S498 PolarHBondContact O-N 2.9Å; S498-L500 PolarHBondContact O-N 2.89Å; S498-L500 PolarHBondContact OG-N 3.12Å; S498-L500 VanDerWaalsContact OG-N 3.15Å; S498-L500 PolarHBondContact OG-O 3.1Å; S498-L500 VanDerWaalsContact OG-O 3.08Å | ||
| 499 | D | 56.6 | Low | 80.5 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 58% | 0.583 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -73.1 | -5.7 | 176.4 | -51.9 | -44.4 | 0 | 0 | 0 | 113.1 | A382 | A382-D499 HydrophobicContact CB-CB 4.41Å; A382-D499 WeakPolarHBondContact CB-OD1 3.27Å |
| 500 | L | 64.5 | Low | 79.9 | Confident | 133 Ų | 133 | 54 Ų | 54 | 70% | 0.696 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -94 | 146.4 | 176.9 | -64.9 | 174.2 | 0 | 0 | 0 | 110.8 | S498 | S498-L500 PolarHBondContact O-N 2.89Å; S498-L500 PolarHBondContact OG-N 3.12Å; S498-L500 VanDerWaalsContact OG-N 3.15Å; S498-L500 PolarHBondContact OG-O 3.1Å; S498-L500 VanDerWaalsContact OG-O 3.08Å |
| 501 | P | 68.2 | Low | 79.3 | Confident | 117 Ų | 117 | 58.9 Ų | 58.9 | 76% | 0.76 | 31% | 0.307 | S | S | * | . | trans | -60.9 | 140.8 | 176.3 | 26 | -34.8 | 0 | 0 | 0 | 111.6 | K503 | P501-K503 PolarHBondContact O-N 2.84Š| ||
| 502 | D | 75.4 | Confident | 78.7 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 33% | 0.326 | 31% | 0.313 | S | S | . | . | trans | -66.4 | 105.9 | -178.1 | 177.5 | 16.4 | 0 | 0 | 0 | 111.5 | S493 Y504 E505 | S493-D502 WeakPolarHBondContact CB-OD2 3.41Å; S493-D502 PolarHBondContact OG-OD2 2.65Å; D502-Y504 PolarHBondContact O-N 2.61Å; D502-Y504 WeakPolarHBondContact OD1-CA 3.36Å; D502-Y504 WeakPolarHBondContact OD1-CB 3.45Å; D502-Y504 PolarHBondContact OD1-N 3.47Å; D502-E505 HydrophobicContact CB-CB 4.37Å; D502-E505 WeakPolarHBondContact O-CB 3.29Å; D502-E505 PolarHBondContact O-N 3.06Å; D502-E505 VanDerWaalsContact O-N 3.14Å; D502-E505 WeakPolarHBondContact OD2-CA 3.37Å; D502-E505 PolarHBondContact OD2-N 3.12Å | ||
| 503 | K | 80.1 | Confident | 78.3 | Confident | 152 Ų | 152 | 63.3 Ų | 63.3 | 66% | 0.661 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -13.6 | 176 | 70.3 | -170.1 | -177.1 | -175.1 | 0 | 114 | P501 L808 | P501-K503 PolarHBondContact O-N 2.84Å; K503-L808 WeakPolarHBondContact O-CD1 3.43Å |
| 504 | Y | 85.7 | Confident | 78.2 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 8.8 | 179.5 | -58.9 | -61.9 | 0 | 0 | 0 | 114.2 | P494 D502 A506 L507 P806 L808 | P494-Y504 HydrophobicContact CG-CD2 3.75Å; P494-Y504 HydrophobicContact CG-CE2 4.05Å; D502-Y504 PolarHBondContact O-N 2.61Å; D502-Y504 WeakPolarHBondContact OD1-CA 3.36Å; D502-Y504 WeakPolarHBondContact OD1-CB 3.45Å; D502-Y504 PolarHBondContact OD1-N 3.47Å; Y504-A506 PolarHBondContact O-N 2.89Å; Y504-L507 WeakPolarHBondContact O-CB 3.48Å; Y504-L507 WeakPolarHBondContact O-CG 3.28Å; Y504-L507 PolarHBondContact O-N 3.22Å; Y504-P806 HydrophobicContact CD1-CB 4.41Å; Y504-P806 HydrophobicContact CD2-CB 4.39Å; Y504-P806 HydrophobicContact CE1-CB 3.98Å; Y504-P806 VanDerWaalsContact CE1-O 3.27Å; Y504-P806 WeakPolarHBondContact CE1-O 3.36Å; Y504-P806 HydrophobicContact CE2-CB 3.88Å; Y504-P806 HydrophobicContact CE2-CG 4.4Å; Y504-P806 PolarHBondContact OH-O 3.33Å; Y504-P806 VanDerWaalsContact OH-O 3.09Å; Y504-L808 HydrophobicContact CD1-CD2 4.29Å; Y504-L808 HydrophobicContact CD1-CG 4.14Å |
| 505 | E | 85.3 | Confident | 78.4 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -47.7 | -35.7 | -175.8 | -171.2 | -153.8 | 150.9 | 0 | 0 | 113.7 | P458 D502 L507 N508 | P458-E505 HydrophobicContact CG-CG 3.93Å; D502-E505 HydrophobicContact CB-CB 4.37Å; D502-E505 WeakPolarHBondContact O-CB 3.29Å; D502-E505 PolarHBondContact O-N 3.06Å; D502-E505 VanDerWaalsContact O-N 3.14Å; D502-E505 WeakPolarHBondContact OD2-CA 3.37Å; D502-E505 PolarHBondContact OD2-N 3.12Å; E505-L507 PolarHBondContact O-N 2.68Å; E505-L507 VanDerWaalsContact O-N 3.07Å; E505-N508 VanDerWaalsContact O-CB 3.27Å; E505-N508 WeakPolarHBondContact O-CB 3.39Å; E505-N508 PolarHBondContact O-N 3.13Å |
| 506 | A | 85.2 | Confident | 79.1 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 28% | 0.281 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -56.9 | -25.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y504 N508 L509 K511 L808 | Y504-A506 PolarHBondContact O-N 2.89Å; A506-N508 VanDerWaalsContact C-N 3.29Å; A506-N508 PolarHBondContact O-N 3.36Å; A506-L509 PolarHBondContact O-N 2.95Å; A506-K511 HydrophobicContact CB-CB 4.4Å; A506-K511 WeakPolarHBondContact O-CB 3.44Å; A506-K511 PolarHBondContact O-N 2.95Å; A506-K511 VanDerWaalsContact O-N 3.12Å; A506-L808 HydrophobicContact CB-CD2 4.17Å |
| 507 | L | 89.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -65.2 | -31.8 | 172.7 | -62.4 | -176.3 | 0 | 0 | 0 | 112.1 | Y504 E505 L509 G510 V515 L808 | Y504-L507 WeakPolarHBondContact O-CB 3.48Å; Y504-L507 WeakPolarHBondContact O-CG 3.28Å; Y504-L507 PolarHBondContact O-N 3.22Å; E505-L507 PolarHBondContact O-N 2.68Å; E505-L507 VanDerWaalsContact O-N 3.07Å; L507-L509 PolarHBondContact O-N 2.96Å; L507-G510 PolarHBondContact O-N 3.14Å; L507-V515 HydrophobicContact CD1-CG1 3.97Å; L507-V515 HydrophobicContact CD1-CG2 4.45Å; L507-L808 HydrophobicContact CD2-CD2 3.79Å; L507-L808 HydrophobicContact CG-CD2 3.73Å |
| 508 | N | 90.7 | Very high | 81.7 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -67.2 | -24.5 | 177.7 | -57.1 | -20.3 | 0 | 0 | 0 | 112 | P458 G460 T461 G492 S493 E505 A506 G510 | P458-N508 HydrophobicContact CB-CB 3.84Å; P458-N508 HydrophobicContact CG-CB 3.99Å; P458-N508 WeakPolarHBondContact O-CB 3.45Å; P458-N508 PolarHBondContact O-ND2 2.92Å; G460-N508 CarbonylContact C-O 3.55Å; G460-N508 WeakPolarHBondContact CA-O 3.28Å; T461-N508 WeakPolarHBondContact CB-O 3.26Å; T461-N508 PolarHBondContact N-O 3.01Å; T461-N508 PolarHBondContact OG1-O 2.91Å; G492-N508 VanDerWaalsContact CA-OD1 3.27Å; G492-N508 WeakPolarHBondContact CA-OD1 3.19Å; S493-N508 PolarHBondContact N-OD1 3.02Å; S493-N508 PolarHBondContact OG-ND2 2.68Å; S493-N508 PolarHBondContact OG-OD1 2.75Å; S493-N508 VanDerWaalsContact OG-OD1 3.11Å; E505-N508 VanDerWaalsContact O-CB 3.27Å; E505-N508 WeakPolarHBondContact O-CB 3.39Å; E505-N508 PolarHBondContact O-N 3.13Å; A506-N508 VanDerWaalsContact C-N 3.29Å; A506-N508 PolarHBondContact O-N 3.36Å; N508-G510 VanDerWaalsContact C-N 3.28Å |
| 509 | L | 87.6 | Confident | 83.3 | Confident | 44 Ų | 44 | 51 Ų | 51 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -85.4 | 7.4 | 172.5 | -62.8 | 171.6 | 0 | 0 | 0 | 113.3 | K444 T446 F448 P458 T461 A506 L507 K511 | K444-L509 VanDerWaalsContact CE-O 3.31Å; K444-L509 WeakPolarHBondContact CE-O 3.43Å; K444-L509 PolarHBondContact NZ-O 2.97Å; T446-L509 HydrophobicContact CG2-CD2 4.16Å; F448-L509 HydrophobicContact CE1-CD2 4.16Å; F448-L509 HydrophobicContact CZ-CD2 4.01Å; P458-L509 HydrophobicContact CB-CD2 3.6Å; P458-L509 HydrophobicContact CB-CG 3.99Å; P458-L509 HydrophobicContact CG-CD2 4.02Å; P458-L509 HydrophobicContact CG-CG 4.01Å; T461-L509 VanDerWaalsContact OG1-C 3.23Å; T461-L509 WeakPolarHBondContact OG1-CA 3.46Å; A506-L509 PolarHBondContact O-N 2.95Å; L507-L509 PolarHBondContact O-N 2.96Å; L509-K511 VanDerWaalsContact C-N 3.32Å; L509-K511 HydrophobicContact CB-CD 4.48Å; L509-K511 HydrophobicContact CB-CG 4.39Å; L509-K511 PolarHBondContact O-N 3.41Å |
| 510 | G | 83.6 | Confident | 85.2 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 13.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T461 L507 N508 G512 | T461-G510 PolarHBondContact OG1-N 2.99Å; L507-G510 PolarHBondContact O-N 3.14Å; N508-G510 VanDerWaalsContact C-N 3.28Å; G510-G512 VanDerWaalsContact C-N 3.28Å; G510-G512 PolarHBondContact O-N 2.88Å |
| 511 | K | 82.5 | Confident | 86.7 | Confident | 104 Ų | 104 | 39.5 Ų | 39.5 | 45% | 0.452 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -87 | 64.8 | -178 | -61.7 | 177 | 178.4 | 172.8 | 0 | 111.8 | A506 L509 | A506-K511 HydrophobicContact CB-CB 4.4Å; A506-K511 WeakPolarHBondContact O-CB 3.44Å; A506-K511 PolarHBondContact O-N 2.95Å; A506-K511 VanDerWaalsContact O-N 3.12Å; L509-K511 VanDerWaalsContact C-N 3.32Å; L509-K511 HydrophobicContact CB-CD 4.48Å; L509-K511 HydrophobicContact CB-CG 4.39Å; L509-K511 PolarHBondContact O-N 3.41Å |
| 512 | G | 81.4 | Confident | 88.1 | Confident | 24 Ų | 24 | 34 Ų | 34 | 25% | 0.247 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 132 | 179.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | G510 G514 | G510-G512 VanDerWaalsContact C-N 3.28Å; G510-G512 PolarHBondContact O-N 2.88Å; G512-G514 PolarHBondContact O-N 3.37Å |
| 513 | Q | 83.9 | Confident | 89 | Confident | 96 Ų | 96 | 31.1 Ų | 31.1 | 45% | 0.449 | 16% | 0.164 | S | C | . | . | trans | -75.3 | 110.8 | 175.8 | -170.8 | 179.5 | 42.9 | 0 | 0 | 110.3 | V515 | Q513-V515 WeakPolarHBondContact O-CG1 3.41Å; Q513-V515 PolarHBondContact O-N 3.16Å | ||
| 514 | G | 87.8 | Confident | 89.8 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | trans | -56.3 | 132.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | G492 G512 R776 | G492-G514 CarbonylContact O-C 3.57Å; G512-G514 PolarHBondContact O-N 3.37Å; G514-R776 PolarHBondContact O-NH1 3Å | ||
| 515 | V | 89.7 | Confident | 90.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -100.1 | -27.4 | -170.1 | -52.4 | 0 | 0 | 0 | 0 | 113.4 | G492 P494 L507 Q513 W764 Y774 P806 | G492-V515 PolarHBondContact O-N 3.35Å; P494-V515 HydrophobicContact CG-CG2 3.7Å; L507-V515 HydrophobicContact CD1-CG1 3.97Å; L507-V515 HydrophobicContact CD1-CG2 4.45Å; Q513-V515 WeakPolarHBondContact O-CG1 3.41Å; Q513-V515 PolarHBondContact O-N 3.16Å; V515-W764 HydrophobicContact CB-CH2 4.43Å; V515-W764 HydrophobicContact CG2-CH2 3.99Å; V515-Y774 HydrophobicContact CB-CD1 4.26Å; V515-Y774 HydrophobicContact CB-CD2 4.14Å; V515-Y774 HydrophobicContact CB-CE1 3.87Å; V515-Y774 HydrophobicContact CB-CE2 3.72Å; V515-Y774 HydrophobicContact CB-CG 4.41Å; V515-Y774 HydrophobicContact CG1-CD1 4.42Å; V515-Y774 HydrophobicContact CG1-CE1 3.6Å; V515-Y774 HydrophobicContact CG1-CE2 4Å; V515-Y774 VanDerWaalsContact CG1-OH 3.31Å; V515-Y774 WeakPolarHBondContact CG1-OH 3.48Å; V515-P806 HydrophobicContact CG1-CB 3.96Å; V515-P806 HydrophobicContact CG2-CB 4.2Å; V515-P806 HydrophobicContact CG2-CG 4.29Å | ||
| 516 | A | 91.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 151.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y491 G492 S493 W764 | Y491-A516 VanDerWaalsContact CA-O 3.29Å; Y491-A516 WeakPolarHBondContact CA-O 3.08Å; G492-A516 PolarHBondContact N-O 3.3Å; G492-A516 PolarHBondContact O-N 2.68Å; G492-A516 VanDerWaalsContact O-N 3.12Å; S493-A516 WeakPolarHBondContact O-CB 3.17Å; A516-W764 HydrophobicContact CB-CZ2 4.04Å |
| 517 | Y | 94 | Very high | 90.9 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.02 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 137.4 | 167 | 174.5 | -105.1 | 0 | 0 | 0 | 110.4 | D374 G519 R520 G585 P759 | D374-Y517 HydrophobicContact CB-CE1 3.59Å; D374-Y517 WeakPolarHBondContact OD2-CE1 3.46Å; D374-Y517 PolarHBondContact OD2-OH 2.79Å; Y517-G519 VanDerWaalsContact CE2-O 3.25Å; Y517-G519 WeakPolarHBondContact CE2-O 3.45Å; Y517-G519 VanDerWaalsContact CZ-CA 3.48Å; Y517-R520 HydrophobicContact CE2-CB 4.28Å; Y517-R520 WeakPolarHBondContact OH-CD 3.3Å; Y517-R520 WeakPolarHBondContact OH-CG 3.34Å; Y517-G585 VanDerWaalsContact CD1-CA 3.41Å; Y517-G585 VanDerWaalsContact CE1-CA 3.4Å; Y517-P759 HydrophobicContact CD2-CB 4.04Å; Y517-P759 HydrophobicContact CD2-CG 4.21Å; Y517-P759 HydrophobicContact CE2-CB 4.05Å; Y517-P759 HydrophobicContact CE2-CG 3.7Å |
| 518 | R | 92.8 | Very high | 90.9 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 23.5 | -176.5 | -55.5 | -67.4 | -69.6 | -168.6 | 7 | 111.8 | P376 M378 I459 L490 S493 | P376-R518 WeakPolarHBondContact CD-O 3.18Å; P376-R518 HydrophobicContact CG-CB 4.29Å; M378-R518 PolarHBondContact SD-NH2 2.83Å; I459-R518 WeakPolarHBondContact O-CB 3.41Å; I459-R518 PolarHBondContact O-NE 3.29Å; L490-R518 HydrophobicContact CB-CB 4.25Å; L490-R518 PolarHBondContact O-N 2.82Å; S493-R518 PolarHBondContact O-NH1 3.49Å |
| 519 | G | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 96.5 | -172.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E373 L490 Y517 | E373-G519 CarbonylContact O-C 3.42Å; E373-G519 WeakPolarHBondContact O-CA 3.2Å; L490-G519 WeakPolarHBondContact CA-O 3.04Å; L490-G519 VanDerWaalsContact CB-O 3.26Å; L490-G519 WeakPolarHBondContact CB-O 3.34Å; L490-G519 PolarHBondContact N-O 3.28Å; Y517-G519 VanDerWaalsContact CE2-O 3.25Å; Y517-G519 WeakPolarHBondContact CE2-O 3.45Å; Y517-G519 VanDerWaalsContact CZ-CA 3.48Å |
| 520 | R | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 149.8 | -179.3 | 62.8 | -175.2 | -163.5 | 147 | 8 | 112.3 | A372 E373 F487 I488 N489 Y517 E633 S757 | A372-R520 CarbonylContact C-O 3.56Å; A372-R520 WeakPolarHBondContact CA-O 3.39Å; A372-R520 VanDerWaalsContact CB-O 3.32Å; A372-R520 WeakPolarHBondContact CB-O 3.42Å; E373-R520 HydrophobicContact CG-CG 3.63Å; E373-R520 PolarHBondContact N-O 2.97Å; E373-R520 PolarHBondContact O-N 2.74Å; E373-R520 IonicContact OE1-CZ 3.57Å; E373-R520 VanDerWaalsContact OE1-CZ 3.24Å; E373-R520 IonicContact OE1-NE 2.69Å; E373-R520 PolarHBondContact OE1-NE 3.33Å; E373-R520 IonicContact OE1-NH2 2.86Å; E373-R520 PolarHBondContact OE1-NH2 2.94Å; F487-R520 HydrophobicContact CB-CG 4.48Å; F487-R520 HydrophobicContact CD1-CB 4.16Å; F487-R520 HydrophobicContact CD1-CG 3.62Å; F487-R520 HydrophobicContact CE1-CG 4.1Å; F487-R520 HydrophobicContact CG-CG 4.29Å; I488-R520 CarbonylContact O-C 3.5Å; I488-R520 VanDerWaalsContact O-CA 3.24Å; I488-R520 WeakPolarHBondContact O-CA 3.29Å; I488-R520 WeakPolarHBondContact O-CB 3.49Å; N489-R520 WeakPolarHBondContact OD1-CB 3.33Å; N489-R520 WeakPolarHBondContact OD1-CD 3.26Å; Y517-R520 HydrophobicContact CE2-CB 4.28Å; Y517-R520 WeakPolarHBondContact OH-CD 3.3Å; Y517-R520 WeakPolarHBondContact OH-CG 3.34Å; R520-E633 IonicContact CZ-OE1 2.71Å; R520-E633 IonicContact CZ-OE2 3.92Å; R520-E633 VanDerWaalsContact CZ-OE2 3.28Å; R520-E633 IonicContact NH1-OE1 2.65Å; R520-E633 PolarHBondContact NH1-OE1 2.94Å; R520-E633 IonicContact NH1-OE2 2.74Å; R520-E633 PolarHBondContact NH1-OE2 3.38Å; R520-E633 IonicContact NH2-OE2 3.42Å; R520-E633 PolarHBondContact NH2-OE2 2.58Å; R520-S757 PolarHBondContact NH1-O 3.04Å |
| 521 | V | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.3 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | L369 M371 A372 F447 F487 I488 L490 L523 | L369-V521 HydrophobicContact CD1-CG2 3.46Å; L369-V521 VanDerWaalsContact CD1-CG2 3.46Å; M371-V521 WeakPolarHBondContact O-CG2 3.41Å; A372-V521 HydrophobicContact CB-CB 4.14Å; A372-V521 HydrophobicContact CB-CG2 4.4Å; F447-V521 HydrophobicContact CE1-CB 4.44Å; F447-V521 HydrophobicContact CE1-CG2 4.27Å; F447-V521 HydrophobicContact CE2-CB 4.15Å; F447-V521 HydrophobicContact CE2-CG1 3.84Å; F447-V521 HydrophobicContact CZ-CB 3.73Å; F447-V521 HydrophobicContact CZ-CG1 3.81Å; F447-V521 HydrophobicContact CZ-CG2 3.71Å; F487-V521 CarbonylContact C-O 3.4Å; F487-V521 VanDerWaalsContact CA-O 3.22Å; F487-V521 WeakPolarHBondContact CA-O 3.5Å; I488-V521 HydrophobicContact CB-CG1 4.1Å; I488-V521 PolarHBondContact N-O 2.91Å; I488-V521 PolarHBondContact O-N 2.9Å; L490-V521 HydrophobicContact CD2-CG1 4.33Å; V521-L523 HydrophobicContact CG1-CD2 4.26Å; V521-L523 HydrophobicContact CG2-CD2 4.47Å |
| 522 | L | 96.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 118.7 | 170.7 | -179.2 | 55.6 | 0 | 0 | 0 | 110.1 | Y370 M371 P485 S486 F487 I549 L553 | Y370-L522 HydrophobicContact CD2-CG 4.25Å; Y370-L522 PolarHBondContact N-O 2.95Å; M371-L522 HydrophobicContact CG-CB 4.11Å; M371-L522 HydrophobicContact CG-CD2 4.39Å; M371-L522 PolarHBondContact O-N 3.31Å; P485-L522 HydrophobicContact CB-CD1 4.41Å; S486-L522 VanDerWaalsContact C-CD1 3.45Å; S486-L522 WeakPolarHBondContact O-CD1 3.47Å; F487-L522 HydrophobicContact CD1-CB 3.77Å; F487-L522 HydrophobicContact CD2-CB 4.45Å; F487-L522 HydrophobicContact CD2-CD1 4.17Å; F487-L522 HydrophobicContact CE1-CB 3.61Å; F487-L522 HydrophobicContact CE2-CB 4.29Å; F487-L522 HydrophobicContact CE2-CD1 4.32Å; F487-L522 HydrophobicContact CE2-CD2 4.2Å; F487-L522 HydrophobicContact CG-CB 4.21Å; F487-L522 HydrophobicContact CG-CD1 4.43Å; F487-L522 HydrophobicContact CZ-CB 3.89Å; F487-L522 HydrophobicContact CZ-CD2 4.12Å; F487-L522 HydrophobicContact CZ-CG 4.48Å; L522-I549 HydrophobicContact CD1-CD1 4.47Å; L522-I549 HydrophobicContact CD2-CD1 4.12Å; L522-I549 HydrophobicContact CD2-CG1 3.63Å; L522-I549 HydrophobicContact CG-CD1 4.45Å; L522-I549 HydrophobicContact CG-CG1 4.38Å; L522-L553 HydrophobicContact CD2-CD2 3.59Å; L522-L553 HydrophobicContact CD2-CG 4.32Å |
| 523 | L | 95.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 162.4 | 174.8 | 65.1 | 83.6 | 0 | 0 | 0 | 112.4 | L368 F445 I464 F483 P485 S486 I488 V521 | L368-L523 VanDerWaalsContact O-CA 3.27Å; L368-L523 WeakPolarHBondContact O-CA 3.21Å; L368-L523 WeakPolarHBondContact O-CB 3.39Å; F445-L523 HydrophobicContact CD1-CD2 3.75Å; F445-L523 HydrophobicContact CD2-CD2 4.38Å; F445-L523 HydrophobicContact CE1-CD2 3.51Å; F445-L523 HydrophobicContact CE2-CD2 4.17Å; F445-L523 HydrophobicContact CG-CD2 4.19Å; F445-L523 HydrophobicContact CZ-CD1 4.37Å; F445-L523 HydrophobicContact CZ-CD2 3.73Å; I464-L523 HydrophobicContact CD1-CD1 4.27Å; F483-L523 HydrophobicContact CD1-CD1 3.65Å; F483-L523 HydrophobicContact CE1-CD1 3.79Å; F483-L523 HydrophobicContact CE1-CG 4.42Å; P485-L523 WeakPolarHBondContact CA-O 2.99Å; S486-L523 PolarHBondContact N-O 2.99Å; S486-L523 PolarHBondContact O-N 3.29Å; I488-L523 HydrophobicContact CD1-CD1 4.16Å; I488-L523 HydrophobicContact CD1-CD2 3.91Å; I488-L523 HydrophobicContact CD1-CG 4.09Å; V521-L523 HydrophobicContact CG1-CD2 4.26Å; V521-L523 HydrophobicContact CG2-CD2 4.47Å |
| 524 | E | 95.8 | Very high | 88.4 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.5 | 170 | 175.1 | -178.5 | 160 | 0 | 0 | 107.8 | I367 L368 Y370 F483 P485 R548 | I367-E524 CarbonylContact C-O 3.5Å; I367-E524 WeakPolarHBondContact CA-O 3.43Å; L368-E524 HydrophobicContact CB-CB 4.18Å; L368-E524 PolarHBondContact N-O 3.02Å; L368-E524 PolarHBondContact O-N 2.89Å; L368-E524 VanDerWaalsContact O-N 3.09Å; Y370-E524 HydrophobicContact CE2-CB 3.98Å; Y370-E524 PolarHBondContact OH-OE2 3.43Å; F483-E524 CarbonylContact O-C 3.49Å; F483-E524 WeakPolarHBondContact O-CA 3.17Å; P485-E524 HydrophobicContact CB-CB 4.13Å; P485-E524 WeakPolarHBondContact CD-OE2 3.27Å; P485-E524 HydrophobicContact CG-CB 4.43Å; P485-E524 HydrophobicContact CG-CG 4.49Å; P485-E524 WeakPolarHBondContact CG-OE2 3.22Å; E524-R548 IonicContact OE1-CZ 3.99Å; E524-R548 IonicContact OE1-NH2 2.68Å; E524-R548 PolarHBondContact OE1-NH2 2.94Å; E524-R548 IonicContact OE2-CZ 3.8Å; E524-R548 IonicContact OE2-NH2 2.78Å; E524-R548 PolarHBondContact OE2-NH2 3Å |
| 525 | L | 95.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.9 | 177.1 | 165.1 | 68.4 | 0 | 0 | 0 | 107.9 | F365 K366 I367 L443 I469 T482 F483 | F365-L525 HydrophobicContact CB-CD1 3.62Å; F365-L525 HydrophobicContact CD1-CD1 3.8Å; F365-L525 HydrophobicContact CD2-CD1 4.42Å; F365-L525 HydrophobicContact CG-CD1 3.72Å; K366-L525 WeakPolarHBondContact O-CA 3.43Å; I367-L525 HydrophobicContact CD1-CD1 4.46Å; I367-L525 HydrophobicContact CG1-CD1 3.68Å; L443-L525 HydrophobicContact CD2-CD2 3.76Å; I469-L525 HydrophobicContact CD1-CD2 3.48Å; I469-L525 VanDerWaalsContact CD1-CD2 3.48Å; T482-L525 WeakPolarHBondContact CA-O 3.33Å; F483-L525 HydrophobicContact CB-CB 4.2Å; F483-L525 PolarHBondContact N-O 3.26Å; F483-L525 PolarHBondContact O-N 2.87Å |
| 526 | S | 93.2 | Very high | 87.2 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.6 | 164.2 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | K366 | K366-S526 PolarHBondContact N-O 3.1Å; K366-S526 PolarHBondContact O-N 2.72Å; K366-S526 VanDerWaalsContact O-N 3.07Å |
| 527 | T | 91.4 | Very high | 86.9 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.7 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | A363 I364 F365 F436 L480 P481 | A363-T527 HydrophobicContact CB-CG2 4.4Å; I364-T527 WeakPolarHBondContact O-CA 3.18Å; F365-T527 HydrophobicContact CD1-CG2 4.34Å; F365-T527 WeakPolarHBondContact CD1-OG1 3.3Å; F365-T527 HydrophobicContact CE1-CG2 4.35Å; F365-T527 VanDerWaalsContact CE1-OG1 3.3Å; F365-T527 WeakPolarHBondContact CE1-OG1 3.21Å; F436-T527 HydrophobicContact CD2-CG2 4.24Å; L480-T527 HydrophobicContact CB-CG2 4.38Å; L480-T527 HydrophobicContact CD1-CG2 4.37Å; P481-T527 WeakPolarHBondContact CB-OG1 3.32Å; P481-T527 PolarHBondContact O-N 2.73Å; P481-T527 PolarHBondContact O-OG1 2.81Å |
| 528 | E | 88.6 | Confident | 86.7 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.8 | 171.6 | -72.6 | 176.2 | -160.2 | 0 | 0 | 110.3 | A363 I364 K366 | A363-E528 CarbonylContact C-O 3.54Å; A363-E528 WeakPolarHBondContact CA-O 3.19Å; A363-E528 WeakPolarHBondContact CB-O 3.06Å; I364-E528 HydrophobicContact CD1-CB 4.37Å; I364-E528 HydrophobicContact CG1-CB 3.9Å; I364-E528 PolarHBondContact N-O 3.31Å; I364-E528 PolarHBondContact O-N 3.03Å; K366-E528 WeakPolarHBondContact CD-OE1 3.21Å; K366-E528 VanDerWaalsContact CE-CD 3.44Å; K366-E528 WeakPolarHBondContact CE-OE1 3.39Å; K366-E528 WeakPolarHBondContact CE-OE2 3.21Å; K366-E528 IonicContact NZ-OE1 3.73Å; K366-E528 PolarHBondContact NZ-OE1 3.27Å; K366-E528 IonicContact NZ-OE2 3.66Å; K366-E528 PolarHBondContact NZ-OE2 2.88Å |
| 529 | L | 84.5 | Confident | 86.6 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 31% | 0.314 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.1 | 173.1 | -56.6 | -178 | 0 | 0 | 0 | 109.4 | A363 F436 L480 | A363-L529 HydrophobicContact CB-CD2 3.85Å; F436-L529 HydrophobicContact CB-CD2 3.85Å; F436-L529 HydrophobicContact CD1-CD2 3.64Å; F436-L529 HydrophobicContact CE1-CD2 4.42Å; F436-L529 HydrophobicContact CG-CD2 3.7Å; L480-L529 HydrophobicContact CD1-CD1 4.14Å; L480-L529 HydrophobicContact CD1-CD2 4.28Å; L480-L529 HydrophobicContact CD1-CG 3.87Å; L480-L529 HydrophobicContact CD2-CD1 4.39Å; L480-L529 HydrophobicContact CD2-CD2 4.45Å |
| 530 | L | 81.7 | Confident | 86.5 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | trans | -117.3 | 169.8 | -176.1 | -56.9 | 180 | 0 | 0 | 0 | 111.2 | R361 P362 I364 T534 | R361-L530 WeakPolarHBondContact CG-O 3.34Å; R361-L530 PolarHBondContact NE-O 3.45Å; P362-L530 WeakPolarHBondContact O-CA 3.25Å; P362-L530 PolarHBondContact O-N 3.31Å; I364-L530 HydrophobicContact CB-CD1 4.46Å; I364-L530 HydrophobicContact CD1-CD1 4.09Å; I364-L530 HydrophobicContact CD1-CD2 4.5Å; I364-L530 HydrophobicContact CG1-CD1 4Å; I364-L530 HydrophobicContact CG1-CG 4.33Å; I364-L530 HydrophobicContact CG2-CD1 3.78Å; L530-T534 VanDerWaalsContact CD1-OG1 3.23Å; L530-T534 WeakPolarHBondContact CD1-OG1 3.26Å | ||
| 531 | D | 74.1 | Confident | 86.2 | Confident | 135 Ų | 135 | 56.8 Ų | 56.8 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -100.2 | -27.7 | 174 | -57.7 | -27.1 | 0 | 0 | 0 | 111.6 | R361 | R361-D531 IonicContact CZ-OD1 3.22Å; R361-D531 IonicContact NE-OD1 2.79Å; R361-D531 IonicContact NH2-OD1 3.51Å; R361-D531 PolarHBondContact NH2-OD1 2.65Å |
| 532 | E | 73.5 | Confident | 85.8 | Confident | 157 Ų | 157 | 62.4 Ų | 62.4 | 73% | 0.734 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -128.9 | 147.1 | 174.6 | -68.4 | -171.3 | 172.4 | 0 | 0 | 111.1 | ||
| 533 | P | 70.7 | Confident | 85.3 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 57% | 0.571 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 132.5 | 178.3 | 26.6 | -34 | 0 | 0 | 0 | 111.8 | P362 N433 | P362-P533 HydrophobicContact CB-CB 4.43Å; N433-P533 VanDerWaalsContact ND2-CB 3.34Å; N433-P533 WeakPolarHBondContact ND2-CB 3.43Å |
| 534 | T | 73 | Confident | 84.9 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 152.6 | 173.7 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | N433 L530 | N433-T534 WeakPolarHBondContact CB-O 3.48Å; N433-T534 PolarHBondContact ND2-O 2.85Å; L530-T534 VanDerWaalsContact CD1-OG1 3.23Å; L530-T534 WeakPolarHBondContact CD1-OG1 3.26Å |
| 535 | A | 74.1 | Confident | 84.4 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -71 | 142.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L537 | A535-L537 PolarHBondContact O-N 2.66Š|
| 536 | D | 77.6 | Confident | 84 | Confident | 76 Ų | 76 | 78.1 Ų | 78.1 | 41% | 0.406 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 131.7 | 171.2 | -68.3 | -23.4 | 0 | 0 | 0 | 109.9 | I413 T431 M432 N433 | I413-D536 HydrophobicContact CD1-CB 3.8Å; I413-D536 HydrophobicContact CG1-CB 4.46Å; T431-D536 WeakPolarHBondContact O-CA 3.36Å; M432-D536 WeakPolarHBondContact CA-OD1 3.45Å; N433-D536 WeakPolarHBondContact CB-OD1 3.49Å; N433-D536 PolarHBondContact N-OD1 3.36Å |
| 537 | L | 84.5 | Confident | 83.7 | Confident | 92 Ų | 92 | 79.9 Ų | 79.9 | 48% | 0.482 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 141.5 | -172.5 | -171.1 | 80.8 | 0 | 0 | 0 | 110.7 | T431 A535 K539 | T431-L537 PolarHBondContact N-O 3.5Å; T431-L537 PolarHBondContact O-N 2.83Å; A535-L537 PolarHBondContact O-N 2.66Å; L537-K539 HydrophobicContact CD2-CB 4.14Å; L537-K539 HydrophobicContact CD2-CD 4.08Å; L537-K539 HydrophobicContact CD2-CG 4.25Å |
| 538 | V | 89.8 | Confident | 83.4 | Confident | 52 Ų | 52 | 85.4 Ų | 85.4 | 32% | 0.315 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.9 | 162.9 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | I413 E428 E429 I430 | I413-V538 HydrophobicContact CG2-CG2 3.54Å; E428-V538 HydrophobicContact CB-CG1 4.06Å; E428-V538 HydrophobicContact CG-CG1 4.26Å; E429-V538 WeakPolarHBondContact O-CA 3.23Å; I430-V538 HydrophobicContact CG1-CG1 4.17Å; I430-V538 HydrophobicContact CG1-CG2 4.13Å |
| 539 | K | 91.1 | Very high | 83.4 | Confident | 81 Ų | 81 | 82 Ų | 82 | 35% | 0.352 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 156.3 | 178.1 | 63.6 | 175.6 | -179.7 | -178.5 | 0 | 111.2 | E428 E429 L537 | E428-K539 CarbonylContact C-O 3.52Å; E428-K539 WeakPolarHBondContact CA-O 3.49Å; E429-K539 HydrophobicContact CB-CG 3.95Å; E429-K539 PolarHBondContact N-O 2.98Å; E429-K539 PolarHBondContact O-N 2.89Å; E429-K539 WeakPolarHBondContact OE1-CE 3.3Å; E429-K539 IonicContact OE1-NZ 3.31Å; E429-K539 PolarHBondContact OE1-NZ 2.81Å; E429-K539 IonicContact OE2-NZ 3.63Å; L537-K539 HydrophobicContact CD2-CB 4.14Å; L537-K539 HydrophobicContact CD2-CD 4.08Å; L537-K539 HydrophobicContact CD2-CG 4.25Å |
| 540 | P | 91.8 | Very high | 83.4 | Confident | 107 Ų | 107 | 84.5 Ų | 84.5 | 70% | 0.695 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 147.2 | 171.3 | -21.9 | 34 | 0 | 0 | 0 | 112.6 | ||
| 541 | L | 89.9 | Confident | 83.5 | Confident | 19 Ų | 19 | 88.8 Ų | 88.8 | 10% | 0.099 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 152.5 | 172.4 | -71.3 | 173 | 0 | 0 | 0 | 112.2 | L368 Y370 N427 E429 K545 V546 | L368-L541 HydrophobicContact CB-CD1 4.34Å; L368-L541 HydrophobicContact CB-CD2 4.18Å; L368-L541 HydrophobicContact CD2-CD2 4.13Å; L368-L541 HydrophobicContact CG-CD2 3.79Å; Y370-L541 HydrophobicContact CD1-CD1 3.87Å; Y370-L541 HydrophobicContact CE1-CD1 3.75Å; N427-L541 HydrophobicContact CB-CB 4.47Å; N427-L541 HydrophobicContact CB-CD1 4.33Å; N427-L541 WeakPolarHBondContact O-CB 3.33Å; N427-L541 PolarHBondContact O-N 3.05Å; E429-L541 HydrophobicContact CB-CD2 3.76Å; E429-L541 HydrophobicContact CG-CD2 4.43Å; L541-K545 HydrophobicContact CD2-CD 4.06Å; L541-V546 HydrophobicContact CB-CG2 3.97Å; L541-V546 HydrophobicContact CD1-CG2 4.46Å |
| 542 | E | 88.4 | Confident | 84.1 | Confident | 118 Ų | 118 | 83.1 Ų | 83.1 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 143.3 | 172.6 | -62.6 | 168 | 141.7 | 0 | 0 | 110.6 | D544 K545 V546 | E542-D544 WeakPolarHBondContact CB-OD1 3.29Å; E542-D544 PolarHBondContact O-N 3.49Å; E542-K545 HydrophobicContact CB-CG 4.44Å; E542-K545 WeakPolarHBondContact O-CB 3.41Å; E542-K545 PolarHBondContact O-N 3.35Å; E542-K545 VanDerWaalsContact O-N 3.16Å; E542-K545 VanDerWaalsContact OE2-CE 3.3Å; E542-K545 WeakPolarHBondContact OE2-CE 3.23Å; E542-K545 IonicContact OE2-NZ 3.78Å; E542-V546 PolarHBondContact O-N 2.84Å |
| 543 | Q | 86.3 | Confident | 84.7 | Confident | 176 Ų | 176 | 77.5 Ų | 77.5 | 82% | 0.822 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.3 | -24.6 | -172.2 | -81.6 | -175.3 | -23.4 | 0 | 0 | 114 | A547 | Q543-A547 WeakPolarHBondContact O-CB 3.3Å; Q543-A547 PolarHBondContact O-N 3.32Å |
| 544 | D | 86.6 | Confident | 85.7 | Confident | 107 Ų | 107 | 81 Ų | 81 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.1 | -41.5 | 175.1 | 66.8 | -37.6 | 0 | 0 | 0 | 111.9 | E542 V546 A547 R548 | E542-D544 WeakPolarHBondContact CB-OD1 3.29Å; E542-D544 PolarHBondContact O-N 3.49Å; D544-V546 VanDerWaalsContact C-N 3.28Å; D544-V546 PolarHBondContact O-N 2.69Å; D544-A547 PolarHBondContact O-N 2.77Å; D544-R548 WeakPolarHBondContact O-CB 3.27Å; D544-R548 PolarHBondContact O-N 3.04Å |
| 545 | K | 85.3 | Confident | 86.6 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 20% | 0.2 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 171.5 | -61 | -172.4 | -174.2 | -171.2 | 0 | 111.4 | L368 E429 L541 E542 R548 | L368-K545 HydrophobicContact CD2-CD 4.02Å; E429-K545 IonicContact OE2-NZ 2.77Å; E429-K545 PolarHBondContact OE2-NZ 3.21Å; L541-K545 HydrophobicContact CD2-CD 4.06Å; E542-K545 HydrophobicContact CB-CG 4.44Å; E542-K545 WeakPolarHBondContact O-CB 3.41Å; E542-K545 PolarHBondContact O-N 3.35Å; E542-K545 VanDerWaalsContact O-N 3.16Å; E542-K545 VanDerWaalsContact OE2-CE 3.3Å; E542-K545 WeakPolarHBondContact OE2-CE 3.23Å; E542-K545 IonicContact OE2-NZ 3.78Å; K545-R548 WeakPolarHBondContact O-CB 3.33Å |
| 546 | V | 87.3 | Confident | 87.5 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.6 | -35.1 | 175.7 | -178 | 0 | 0 | 0 | 0 | 111.6 | N427 L541 E542 D544 R548 I549 | N427-V546 HydrophobicContact CB-CG2 4.04Å; L541-V546 HydrophobicContact CB-CG2 3.97Å; L541-V546 HydrophobicContact CD1-CG2 4.46Å; E542-V546 PolarHBondContact O-N 2.84Å; D544-V546 VanDerWaalsContact C-N 3.28Å; D544-V546 PolarHBondContact O-N 2.69Å; V546-R548 VanDerWaalsContact C-N 3.35Å; V546-I549 VanDerWaalsContact O-CG2 3.29Å; V546-I549 WeakPolarHBondContact O-CG2 2.98Å |
| 547 | A | 87 | Confident | 88.2 | Confident | 64 Ų | 64 | 81.9 Ų | 81.9 | 53% | 0.529 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.1 | -34.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q543 D544 I549 Q550 | Q543-A547 WeakPolarHBondContact O-CB 3.3Å; Q543-A547 PolarHBondContact O-N 3.32Å; D544-A547 PolarHBondContact O-N 2.77Å; A547-I549 VanDerWaalsContact C-N 3.33Å; A547-I549 PolarHBondContact O-N 3.06Å; A547-Q550 WeakPolarHBondContact O-CB 3.33Å; A547-Q550 WeakPolarHBondContact O-CG 3.42Å; A547-Q550 PolarHBondContact O-N 2.72Å |
| 548 | R | 85.8 | Confident | 88.7 | Confident | 129 Ų | 129 | 77.6 Ų | 77.6 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -41 | 177.2 | -174.2 | 177.6 | 70.5 | 173.5 | 4 | 112.4 | E524 D544 K545 V546 Q550 | E524-R548 IonicContact OE1-CZ 3.99Å; E524-R548 IonicContact OE1-NH2 2.68Å; E524-R548 PolarHBondContact OE1-NH2 2.94Å; E524-R548 IonicContact OE2-CZ 3.8Å; E524-R548 IonicContact OE2-NH2 2.78Å; E524-R548 PolarHBondContact OE2-NH2 3Å; D544-R548 WeakPolarHBondContact O-CB 3.27Å; D544-R548 PolarHBondContact O-N 3.04Å; K545-R548 WeakPolarHBondContact O-CB 3.33Å; V546-R548 VanDerWaalsContact C-N 3.35Å; R548-Q550 PolarHBondContact O-N 3.16Å |
| 549 | I | 87.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.6 | -20.7 | -173.8 | -151.7 | 64.3 | 0 | 0 | 0 | 113.9 | Y370 P485 L522 V546 A547 K551 S552 L553 | Y370-I549 HydrophobicContact CD1-CB 4.29Å; Y370-I549 HydrophobicContact CD1-CG1 4.25Å; Y370-I549 HydrophobicContact CD1-CG2 4.26Å; Y370-I549 HydrophobicContact CD2-CD1 4.16Å; Y370-I549 HydrophobicContact CD2-CG1 4.3Å; Y370-I549 HydrophobicContact CE1-CB 4.1Å; Y370-I549 HydrophobicContact CE1-CG1 4.29Å; Y370-I549 HydrophobicContact CE1-CG2 4.43Å; Y370-I549 HydrophobicContact CE2-CD1 3.88Å; Y370-I549 HydrophobicContact CE2-CG1 4.34Å; Y370-I549 HydrophobicContact CG-CG1 4.25Å; P485-I549 HydrophobicContact CB-CD1 3.22Å; P485-I549 HydrophobicContact CG-CD1 3.66Å; L522-I549 HydrophobicContact CD1-CD1 4.47Å; L522-I549 HydrophobicContact CD2-CD1 4.12Å; L522-I549 HydrophobicContact CD2-CG1 3.63Å; L522-I549 HydrophobicContact CG-CD1 4.45Å; L522-I549 HydrophobicContact CG-CG1 4.38Å; V546-I549 VanDerWaalsContact O-CG2 3.29Å; V546-I549 WeakPolarHBondContact O-CG2 2.98Å; A547-I549 VanDerWaalsContact C-N 3.33Å; A547-I549 PolarHBondContact O-N 3.06Å; I549-K551 PolarHBondContact O-N 2.66Å; I549-S552 WeakPolarHBondContact O-CA 3.41Å; I549-S552 WeakPolarHBondContact O-CB 3.32Å; I549-S552 PolarHBondContact O-N 2.78Å; I549-L553 HydrophobicContact CG2-CD1 4.23Å; I549-L553 PolarHBondContact O-N 2.87Å |
| 550 | Q | 85.7 | Confident | 89 | Confident | 113 Ų | 113 | 71.4 Ų | 71.4 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23 | -177.6 | -62.6 | -62.7 | -44.6 | 0 | 0 | 113.5 | A547 R548 | A547-Q550 WeakPolarHBondContact O-CB 3.33Å; A547-Q550 WeakPolarHBondContact O-CG 3.42Å; A547-Q550 PolarHBondContact O-N 2.72Å; R548-Q550 PolarHBondContact O-N 3.16Å |
| 551 | K | 83.5 | Confident | 89.1 | Confident | 125 Ų | 125 | 67 Ų | 67 | 54% | 0.543 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -33.3 | 172.9 | -65.6 | -179.1 | -177.5 | 176.7 | 0 | 112.9 | I549 L553 R554 P700 | I549-K551 PolarHBondContact O-N 2.66Å; K551-L553 VanDerWaalsContact C-N 3.31Å; K551-R554 WeakPolarHBondContact O-CB 3.47Å; K551-R554 WeakPolarHBondContact O-CD 3.29Å; K551-R554 VanDerWaalsContact O-CG 3.26Å; K551-R554 WeakPolarHBondContact O-CG 3.04Å; K551-R554 PolarHBondContact O-N 2.79Å; K551-P700 HydrophobicContact CB-CG 3.56Å; K551-P700 HydrophobicContact CD-CG 4.36Å |
| 552 | S | 85.5 | Confident | 89.4 | Confident | 15 Ų | 15 | 66 Ų | 66 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16.7 | 178.2 | -50.8 | 0 | 0 | 0 | 0 | 113 | I549 R554 | I549-S552 WeakPolarHBondContact O-CA 3.41Å; I549-S552 WeakPolarHBondContact O-CB 3.32Å; I549-S552 PolarHBondContact O-N 2.78Å; S552-R554 VanDerWaalsContact C-N 3.28Å |
| 553 | L | 87.8 | Confident | 89.7 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -0.2 | 172.5 | -67 | 175.1 | 0 | 0 | 0 | 113.9 | M371 F487 L522 I549 K551 R555 | M371-L553 HydrophobicContact SD-CD1 4.14Å; M371-L553 HydrophobicContact SD-CD2 3.92Å; F487-L553 HydrophobicContact CE2-CD2 4.18Å; F487-L553 HydrophobicContact CZ-CD2 3.99Å; L522-L553 HydrophobicContact CD2-CD2 3.59Å; L522-L553 HydrophobicContact CD2-CG 4.32Å; I549-L553 HydrophobicContact CG2-CD1 4.23Å; I549-L553 PolarHBondContact O-N 2.87Å; K551-L553 VanDerWaalsContact C-N 3.31Å; L553-R555 PolarHBondContact O-N 3.12Å |
| 554 | R | 90.3 | Very high | 90.1 | Very high | 162 Ų | 162 | 52.1 Ų | 52.1 | 61% | 0.611 | 24% | 0.239 | S | C | * | . | trans | -69.1 | 123.8 | 177.8 | -70.1 | 175.3 | 175.7 | -167.1 | -4.6 | 110.3 | K551 S552 | K551-R554 WeakPolarHBondContact O-CB 3.47Å; K551-R554 WeakPolarHBondContact O-CD 3.29Å; K551-R554 VanDerWaalsContact O-CG 3.26Å; K551-R554 WeakPolarHBondContact O-CG 3.04Å; K551-R554 PolarHBondContact O-N 2.79Å; S552-R554 VanDerWaalsContact C-N 3.28Å | ||
| 555 | R | 92.3 | Very high | 90.3 | Very high | 95 Ų | 95 | 48.6 Ų | 48.6 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 149.5 | 178.5 | -55 | -176.6 | -155 | -144.9 | -4.2 | 111.4 | E373 L553 Q631 W632 | E373-R555 VanDerWaalsContact CD-NH2 3.28Å; E373-R555 IonicContact OE1-CZ 2.73Å; E373-R555 VanDerWaalsContact OE1-CZ 3.31Å; E373-R555 IonicContact OE1-NH1 3.2Å; E373-R555 PolarHBondContact OE1-NH1 2.71Å; E373-R555 IonicContact OE1-NH2 2.68Å; E373-R555 PolarHBondContact OE1-NH2 3.09Å; E373-R555 VanDerWaalsContact OE1-NH2 3.07Å; E373-R555 IonicContact OE2-CZ 3.64Å; E373-R555 IonicContact OE2-NH1 2.61Å; E373-R555 IonicContact OE2-NH2 2.73Å; E373-R555 PolarHBondContact OE2-NH2 3.39Å; L553-R555 PolarHBondContact O-N 3.12Å; R555-Q631 HydrophobicContact CB-CB 4.19Å; R555-Q631 WeakPolarHBondContact CD-O 3.34Å; R555-W632 CarbonylContact C-O 3.6Å; R555-W632 VanDerWaalsContact CA-O 3.26Å; R555-W632 WeakPolarHBondContact CA-O 3.39Å |
| 556 | R | 93.1 | Very high | 90.6 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 160.3 | 164.4 | -58.1 | -176.8 | 80.8 | 156.3 | 13 | 108.8 | Y558 Q631 W632 D634 E697 L831 | R556-Y558 HydrophobicContact CB-CE2 4.32Å; R556-Q631 VanDerWaalsContact O-CA 3.29Å; R556-Q631 WeakPolarHBondContact O-CA 3.4Å; R556-W632 PolarHBondContact N-O 2.86Å; R556-W632 PolarHBondContact O-N 3.08Å; R556-W632 VanDerWaalsContact O-N 3.07Å; R556-D634 WeakPolarHBondContact CD-OD2 3.31Å; R556-D634 HydrophobicContact CG-CB 4.02Å; R556-D634 IonicContact CZ-OD2 3.17Å; R556-D634 IonicContact NE-OD2 2.78Å; R556-D634 IonicContact NH1-OD2 2.83Å; R556-D634 PolarHBondContact NH1-OD2 3.03Å; R556-E697 IonicContact CZ-OE2 3.53Å; R556-E697 IonicContact NH1-OE2 2.74Å; R556-E697 PolarHBondContact NH1-OE2 3.01Å; R556-E697 IonicContact NH2-OE2 2.8Å; R556-E697 PolarHBondContact NH2-OE2 3.46Å; R556-L831 HydrophobicContact CB-CD2 3.62Å; R556-L831 HydrophobicContact CG-CD2 4.37Å |
| 557 | K | 92.3 | Very high | 90.9 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 35% | 0.352 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.3 | 173.2 | -66 | 164.4 | 170.9 | -178.2 | 0 | 110 | S630 Q631 E832 S1092 | K557-S630 WeakPolarHBondContact CA-O 3.47Å; K557-Q631 HydrophobicContact CG-CG 4.03Å; K557-E832 HydrophobicContact CB-CB 3.91Å; K557-E832 VanDerWaalsContact CD-CD 3.42Å; K557-E832 WeakPolarHBondContact CD-OE1 3.43Å; K557-E832 WeakPolarHBondContact CD-OE2 3.36Å; K557-E832 IonicContact NZ-OE1 3.39Å; K557-E832 PolarHBondContact NZ-OE1 3.01Å; K557-E832 IonicContact NZ-OE2 2.75Å; K557-E832 PolarHBondContact NZ-OE2 3.47Å; K557-E832 PolarHBondContact O-N 3.13Å; K557-S1092 PolarHBondContact NZ-OG 2.91Å |
| 558 | Y | 94.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.6 | 173.1 | -76.1 | -97.9 | 0 | 0 | 0 | 109.7 | R556 S630 W632 L783 F829 G830 L831 | R556-Y558 HydrophobicContact CB-CE2 4.32Å; Y558-S630 PolarHBondContact N-O 3.18Å; Y558-S630 PolarHBondContact O-N 2.6Å; Y558-S630 VanDerWaalsContact O-O 3.11Å; Y558-S630 PolarHBondContact O-OG 3.05Å; Y558-W632 HydrophobicContact CD2-CB 3.97Å; Y558-W632 AromaticContact CD2-CD1 3.98Å; Y558-W632 HydrophobicContact CD2-CG 4.41Å; Y558-W632 HydrophobicContact CE2-CB 4.01Å; Y558-L783 HydrophobicContact CE1-CD1 4.25Å; Y558-F829 AromaticContact CD1-CE1 3.92Å; Y558-F829 HydrophobicContact CD1-CE1 3.92Å; Y558-F829 AromaticContact CD1-CE2 3.96Å; Y558-F829 HydrophobicContact CD1-CE2 3.96Å; Y558-F829 AromaticContact CD1-CZ 3.58Å; Y558-F829 HydrophobicContact CD1-CZ 3.58Å; Y558-F829 HydrophobicContact CE1-CE1 4.27Å; Y558-F829 HydrophobicContact CE1-CZ 4.28Å; Y558-F829 HydrophobicContact CG-CE2 4.04Å; Y558-F829 AromaticContact CG-CZ 3.82Å; Y558-F829 HydrophobicContact CG-CZ 3.82Å; Y558-G830 CarbonylContact C-O 3.54Å; Y558-G830 VanDerWaalsContact CA-O 3.23Å; Y558-G830 WeakPolarHBondContact CA-O 3.32Å; Y558-G830 WeakPolarHBondContact CD1-O 3.47Å; Y558-L831 HydrophobicContact CD1-CD2 4.14Å; Y558-L831 HydrophobicContact CD1-CG 4.45Å; Y558-L831 HydrophobicContact CD2-CD2 4.03Å; Y558-L831 HydrophobicContact CE1-CD2 3.71Å; Y558-L831 HydrophobicContact CE1-CG 3.96Å; Y558-L831 HydrophobicContact CE2-CD2 3.59Å; Y558-L831 HydrophobicContact CG-CD2 4.28Å; Y558-L831 VanDerWaalsContact CZ-CD2 3.41Å |
| 559 | Q | 93.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.6 | 169.8 | -64 | -164.6 | -43.7 | 0 | 0 | 109.7 | Y561 D629 W828 F829 G830 S1092 | Q559-Y561 HydrophobicContact CB-CD2 4.26Å; Q559-Y561 HydrophobicContact CB-CE2 3.71Å; Q559-Y561 PolarHBondContact OE1-OH 2.94Å; Q559-D629 PolarHBondContact NE2-OD1 2.89Å; Q559-W828 HydrophobicContact CB-CZ3 4.36Å; Q559-W828 WeakPolarHBondContact O-CZ3 3.24Å; Q559-F829 WeakPolarHBondContact O-CA 3.29Å; Q559-G830 PolarHBondContact N-O 2.9Å; Q559-G830 PolarHBondContact O-N 2.9Å; Q559-S1092 PolarHBondContact NE2-O 2.99Å |
| 560 | L | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.1 | 171.1 | 169.9 | 61.8 | 0 | 0 | 0 | 108.6 | V562 I582 I584 M627 V628 I761 V827 W828 F829 | L560-V562 HydrophobicContact CD1-CG2 4.01Å; L560-V562 HydrophobicContact CG-CG2 4.26Å; L560-I582 HydrophobicContact CD2-CG2 3.44Å; L560-I582 VanDerWaalsContact CD2-CG2 3.44Å; L560-I582 HydrophobicContact CG-CG2 4.12Å; L560-I584 HydrophobicContact CD2-CB 4.3Å; L560-I584 HydrophobicContact CD2-CG2 4.14Å; L560-M627 WeakPolarHBondContact O-CA 3.21Å; L560-V628 HydrophobicContact CB-CB 4.21Å; L560-V628 HydrophobicContact CD2-CB 4.43Å; L560-V628 PolarHBondContact N-O 3.37Å; L560-V628 PolarHBondContact O-N 3.1Å; L560-I761 HydrophobicContact CD1-CD1 3.69Å; L560-I761 HydrophobicContact CD1-CG1 4.24Å; L560-I761 HydrophobicContact CD1-CG2 4.48Å; L560-I761 HydrophobicContact CD2-CB 4.49Å; L560-I761 HydrophobicContact CD2-CD1 4.29Å; L560-I761 HydrophobicContact CD2-CG1 3.91Å; L560-I761 HydrophobicContact CD2-CG2 3.84Å; L560-V827 HydrophobicContact CD1-CG1 3.98Å; L560-W828 WeakPolarHBondContact CA-O 3.41Å; L560-F829 HydrophobicContact CB-CD2 4.03Å; L560-F829 HydrophobicContact CD1-CB 4.18Å |
| 561 | Y | 94.1 | Very high | 91.1 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.8 | 170.7 | -69.3 | -92.1 | 0 | 0 | 0 | 109.5 | Q559 T626 M627 W828 W838 | Q559-Y561 HydrophobicContact CB-CD2 4.26Å; Q559-Y561 HydrophobicContact CB-CE2 3.71Å; Q559-Y561 PolarHBondContact OE1-OH 2.94Å; Y561-T626 WeakPolarHBondContact CA-O 3.45Å; Y561-M627 HydrophobicContact CD1-CB 4.3Å; Y561-M627 HydrophobicContact CD1-CG 4.32Å; Y561-M627 HydrophobicContact CE1-CB 4.09Å; Y561-M627 HydrophobicContact CE1-CE 4.21Å; Y561-M627 HydrophobicContact CE1-CG 3.79Å; Y561-W828 AromaticContact CD2-CE3 3.8Å; Y561-W828 HydrophobicContact CD2-CE3 3.8Å; Y561-W828 HydrophobicContact CD2-CZ3 4.12Å; Y561-W828 HydrophobicContact CE2-CE3 4.49Å; Y561-W828 HydrophobicContact CE2-CZ3 4.37Å; Y561-W828 PolarHBondContact N-O 3.35Å; Y561-W828 PolarHBondContact O-N 2.83Å; Y561-W838 AromaticContact CD1-CD1 3.76Å; Y561-W838 HydrophobicContact CD1-CD2 4.47Å; Y561-W838 AromaticContact CD1-CE2 3.95Å; Y561-W838 HydrophobicContact CD1-CG 4.37Å; Y561-W838 AromaticContact CD1-NE1 3.48Å; Y561-W838 HydrophobicContact CD2-CB 4.43Å; Y561-W838 HydrophobicContact CD2-CD2 4.4Å; Y561-W838 HydrophobicContact CD2-CG 4.03Å; Y561-W838 AromaticContact CG-CD1 3.8Å; Y561-W838 AromaticContact CG-CD2 3.95Å; Y561-W838 HydrophobicContact CG-CD2 3.95Å; Y561-W838 AromaticContact CG-CE2 3.84Å; Y561-W838 AromaticContact CG-CG 3.94Å; Y561-W838 HydrophobicContact CG-CG 3.94Å; Y561-W838 HydrophobicContact CG-CZ2 4.46Å; Y561-W838 AromaticContact CG-NE1 3.73Å |
| 562 | V | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 116.6 | 170.4 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | L560 F564 I582 C625 T626 V825 V826 V827 | L560-V562 HydrophobicContact CD1-CG2 4.01Å; L560-V562 HydrophobicContact CG-CG2 4.26Å; V562-F564 HydrophobicContact CB-CE2 4.2Å; V562-F564 HydrophobicContact CG1-CD2 4.1Å; V562-F564 HydrophobicContact CG1-CE2 3.76Å; V562-F564 HydrophobicContact CG1-CZ 4.1Å; V562-I582 HydrophobicContact CB-CD1 4.25Å; V562-I582 HydrophobicContact CB-CG1 4.07Å; V562-I582 HydrophobicContact CG1-CD1 4.12Å; V562-I582 HydrophobicContact CG1-CG1 4.39Å; V562-I582 HydrophobicContact CG2-CD1 4.01Å; V562-I582 HydrophobicContact CG2-CG1 3.98Å; V562-I582 HydrophobicContact CG2-CG2 3.92Å; V562-C625 CarbonylContact O-C 3.6Å; V562-C625 VanDerWaalsContact O-CA 3.3Å; V562-C625 WeakPolarHBondContact O-CA 3.4Å; V562-T626 WeakPolarHBondContact CB-OG1 3.33Å; V562-T626 PolarHBondContact N-O 3.19Å; V562-T626 VanDerWaalsContact N-O 3.1Å; V562-T626 PolarHBondContact O-N 3.08Å; V562-T626 PolarHBondContact O-OG1 3.36Å; V562-V825 HydrophobicContact CG1-CB 4.14Å; V562-V825 HydrophobicContact CG1-CG1 4.26Å; V562-V826 CarbonylContact C-O 3.46Å; V562-V826 VanDerWaalsContact CA-O 3.31Å; V562-V826 WeakPolarHBondContact CA-O 3.4Å; V562-V827 HydrophobicContact CG1-CG2 4.11Å; V562-V827 HydrophobicContact CG2-CG1 4.17Å; V562-V827 HydrophobicContact CG2-CG2 4.25Å |
| 563 | A | 93.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V825 V826 W838 M1124 | A563-V825 CarbonylContact O-C 3.57Å; A563-V825 VanDerWaalsContact O-CA 3.25Å; A563-V825 WeakPolarHBondContact O-CA 3.09Å; A563-V826 HydrophobicContact CB-CB 4.33Å; A563-V826 PolarHBondContact N-O 2.9Å; A563-V826 PolarHBondContact O-N 3.27Å; A563-W838 HydrophobicContact CB-CH2 3.95Å; A563-W838 HydrophobicContact CB-CZ2 4.2Å; A563-M1124 HydrophobicContact CB-CG 4.15Å |
| 564 | F | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 102.2 | -179 | -68.4 | -102.3 | 0 | 0 | 0 | 110 | V562 F580 I582 T602 W619 P624 T626 I763 L823 V825 | V562-F564 HydrophobicContact CB-CE2 4.2Å; V562-F564 HydrophobicContact CG1-CD2 4.1Å; V562-F564 HydrophobicContact CG1-CE2 3.76Å; V562-F564 HydrophobicContact CG1-CZ 4.1Å; F564-F580 HydrophobicContact CD1-CB 4.35Å; F564-F580 HydrophobicContact CD1-CD2 4.16Å; F564-F580 HydrophobicContact CD1-CG 4.45Å; F564-F580 HydrophobicContact CE1-CB 3.46Å; F564-F580 VanDerWaalsContact CE1-CB 3.46Å; F564-F580 HydrophobicContact CE1-CD2 4.04Å; F564-F580 AromaticContact CE1-CG 3.87Å; F564-F580 HydrophobicContact CE1-CG 3.87Å; F564-F580 HydrophobicContact CZ-CB 3.7Å; F564-I582 HydrophobicContact CE2-CD1 4.24Å; F564-I582 HydrophobicContact CE2-CG1 3.98Å; F564-I582 HydrophobicContact CZ-CD1 3.63Å; F564-I582 HydrophobicContact CZ-CG1 3.77Å; F564-T602 HydrophobicContact CD1-CG2 4.18Å; F564-T602 HydrophobicContact CD2-CG2 3.58Å; F564-T602 HydrophobicContact CE1-CG2 4.19Å; F564-T602 HydrophobicContact CE2-CG2 3.6Å; F564-T602 HydrophobicContact CG-CG2 3.87Å; F564-T602 HydrophobicContact CZ-CG2 3.88Å; F564-W619 HydrophobicContact CB-CE3 4.34Å; F564-W619 HydrophobicContact CB-CH2 3.71Å; F564-W619 HydrophobicContact CB-CZ3 3.53Å; F564-W619 HydrophobicContact CD1-CH2 4.12Å; F564-W619 HydrophobicContact CG-CH2 4.22Å; F564-W619 HydrophobicContact CG-CZ3 4.48Å; F564-P624 HydrophobicContact CB-CB 4.47Å; F564-P624 PolarHBondContact N-O 3.26Å; F564-T626 HydrophobicContact CE2-CG2 3.91Å; F564-I763 HydrophobicContact CE1-CG2 4.45Å; F564-L823 HydrophobicContact CE1-CD1 4.21Å; F564-V825 HydrophobicContact CD1-CG1 3.73Å; F564-V825 HydrophobicContact CE1-CG1 4.13Å; F564-V825 HydrophobicContact CG-CG1 4.23Å |
| 565 | L | 91.4 | Very high | 86.5 | Confident | 34 Ų | 34 | 37.3 Ų | 37.3 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -41 | -175.4 | -54.5 | -176.8 | 0 | 0 | 0 | 112 | K623 A798 R824 V826 F1126 | L565-K623 WeakPolarHBondContact O-CD 3.37Å; L565-K623 WeakPolarHBondContact O-CE 3.48Å; L565-K623 PolarHBondContact O-NZ 3.02Å; L565-A798 HydrophobicContact CD1-CB 4.24Å; L565-R824 WeakPolarHBondContact CB-O 3.48Å; L565-R824 HydrophobicContact CD1-CG 4.42Å; L565-R824 PolarHBondContact N-O 3.25Å; L565-V826 HydrophobicContact CD1-CG2 3.85Å; L565-V826 HydrophobicContact CD2-CG2 4.28Å; L565-V826 HydrophobicContact CG-CG2 4.17Å; L565-F1126 HydrophobicContact CD2-CE2 4.29Å; L565-F1126 HydrophobicContact CD2-CZ 3.94Å |
| 566 | S | 91.7 | Very high | 85.6 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 156.5 | 174.1 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | R824 Q1162 | S566-R824 PolarHBondContact N-O 3.05Å; S566-R824 PolarHBondContact O-N 3.13Å; S566-R824 WeakPolarHBondContact OG-CB 3.45Å; S566-Q1162 PolarHBondContact OG-OE1 2.55Å |
| 567 | A | 93.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 120.6 | 171 | 0 | 0 | 0 | 0 | 0 | 108.9 | F580 Y616 L617 W619 Q822 L823 | A567-F580 HydrophobicContact CB-CE2 3.56Å; A567-F580 HydrophobicContact CB-CZ 3.9Å; A567-Y616 CarbonylContact O-C 3.52Å; A567-Y616 VanDerWaalsContact O-CA 3.25Å; A567-Y616 WeakPolarHBondContact O-CA 3.27Å; A567-Y616 WeakPolarHBondContact O-CB 3.4Å; A567-L617 HydrophobicContact CB-CB 4.21Å; A567-L617 HydrophobicContact CB-CD1 4.12Å; A567-L617 HydrophobicContact CB-CG 4.03Å; A567-L617 PolarHBondContact O-N 3.12Å; A567-W619 HydrophobicContact CB-CH2 3.69Å; A567-W619 HydrophobicContact CB-CZ2 4.41Å; A567-W619 HydrophobicContact CB-CZ3 3.89Å; A567-Q822 WeakPolarHBondContact CA-O 3.13Å; A567-L823 HydrophobicContact CB-CD2 3.58Å |
| 568 | T | 92.2 | Very high | 85.1 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | -178 | -167.1 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | I570 Y615 Q822 | T568-I570 PolarHBondContact O-N 2.72Å; T568-Y615 CarbonylContact C-O 3.46Å; T568-Q822 PolarHBondContact N-O 3.34Å; T568-Q822 PolarHBondContact O-N 3.13Å |
| 569 | M | 90.6 | Very high | 85 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | trans | 54.6 | 34 | 179.7 | -63.5 | -71.3 | -69.7 | 0 | 0 | 113.3 | Y614 Y615 Q822 S1160 M1205 | M569-Y614 HydrophobicContact CB-CD1 4.47Å; M569-Y614 HydrophobicContact CE-CD1 4.39Å; M569-Y614 HydrophobicContact CE-CD2 4.01Å; M569-Y614 HydrophobicContact CE-CE1 3.9Å; M569-Y614 HydrophobicContact CE-CE2 3.44Å; M569-Y614 VanDerWaalsContact CE-CE2 3.44Å; M569-Y614 HydrophobicContact CE-CG 4.45Å; M569-Y614 HydrophobicContact SD-CD1 4.2Å; M569-Y614 HydrophobicContact SD-CD2 3.51Å; M569-Y614 VanDerWaalsContact SD-CD2 3.51Å; M569-Y614 HydrophobicContact SD-CE1 4.3Å; M569-Y614 HydrophobicContact SD-CE2 3.6Å; M569-Y614 VanDerWaalsContact SD-CE2 3.6Å; M569-Y614 HydrophobicContact SD-CG 3.82Å; M569-Y615 PolarHBondContact N-O 2.87Å; M569-Q822 HydrophobicContact CB-CB 3.96Å; M569-Q822 HydrophobicContact CG-CB 4.15Å; M569-S1160 WeakPolarHBondContact SD-CB 3.13Å; M569-S1160 PolarHBondContact SD-OG 3.34Å; M569-M1205 HydrophobicContact CE-CB 4.42Å; M569-M1205 HydrophobicContact CE-CE 4.46Å; M569-M1205 HydrophobicContact CE-CG 4.46Å; M569-M1205 HydrophobicContact CG-CG 4.42Å | ||
| 570 | I | 90.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -82 | 133.4 | -178.3 | -62.7 | 170.7 | 0 | 0 | 0 | 109.6 | T568 I578 Y615 L617 M765 P820 A821 | T568-I570 PolarHBondContact O-N 2.72Å; I570-I578 HydrophobicContact CD1-CD1 4.05Å; I570-I578 HydrophobicContact CG2-CD1 3.56Å; I570-Y615 WeakPolarHBondContact CB-O 3.2Å; I570-Y615 PolarHBondContact N-O 3.03Å; I570-Y615 PolarHBondContact O-N 3.01Å; I570-Y615 VanDerWaalsContact O-N 3.08Å; I570-L617 HydrophobicContact CD1-CD2 3.75Å; I570-L617 HydrophobicContact CD1-CG 3.75Å; I570-M765 HydrophobicContact CG2-CE 4.07Å; I570-P820 WeakPolarHBondContact CA-O 3.34Å; I570-A821 HydrophobicContact CG1-CB 3.87Å |
| 571 | E | 77.8 | Confident | 85.1 | Confident | 25 Ų | 25 | 30 Ų | 30 | 12% | 0.117 | 16% | 0.157 | C | C | . | . | trans | -73.8 | 138.6 | 176.3 | -173.9 | 175.9 | -161.5 | 0 | 0 | 111.4 | K573 K818 | E571-K573 HydrophobicContact CG-CB 4.43Å; E571-K573 HydrophobicContact CG-CD 4.43Å; E571-K573 HydrophobicContact CG-CG 4.24Å; E571-K573 PolarHBondContact O-N 2.96Å; E571-K573 VanDerWaalsContact OE1-CE 3.3Å; E571-K573 WeakPolarHBondContact OE1-CE 3.25Å; E571-K573 IonicContact OE1-NZ 3.23Å; E571-K573 PolarHBondContact OE1-NZ 3.2Å; E571-K573 IonicContact OE2-NZ 2.76Å; E571-K818 HydrophobicContact CG-CD 4.35Å; E571-K818 WeakPolarHBondContact OE1-CD 3.49Å; E571-K818 WeakPolarHBondContact OE1-CE 3.26Å; E571-K818 IonicContact OE1-NZ 3.67Å; E571-K818 PolarHBondContact OE1-NZ 3.45Å | ||
| 572 | E | 66.5 | Low | 85.2 | Confident | 119 Ų | 119 | 29.4 Ų | 29.4 | 56% | 0.556 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -21.4 | -177.8 | -174.2 | 163.5 | -136.3 | 0 | 0 | 115.3 | S574 Y615 K918 | E572-S574 PolarHBondContact O-N 3.44Å; E572-Y615 HydrophobicContact CB-CD2 4.21Å; E572-Y615 HydrophobicContact CB-CE2 3.55Å; E572-Y615 HydrophobicContact CG-CE2 3.69Å; E572-Y615 PolarHBondContact OE1-OH 3.42Å; E572-K918 IonicContact OE1-NZ 3.44Å; E572-K918 PolarHBondContact OE1-NZ 2.98Å |
| 573 | K | 62.5 | Low | 85.2 | Confident | 157 Ų | 157 | 29.7 Ų | 29.7 | 68% | 0.683 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -3 | -173.7 | -67 | 178.6 | -176.9 | 146 | 0 | 114.9 | E571 D575 | E571-K573 HydrophobicContact CG-CB 4.43Å; E571-K573 HydrophobicContact CG-CD 4.43Å; E571-K573 HydrophobicContact CG-CG 4.24Å; E571-K573 PolarHBondContact O-N 2.96Å; E571-K573 VanDerWaalsContact OE1-CE 3.3Å; E571-K573 WeakPolarHBondContact OE1-CE 3.25Å; E571-K573 IonicContact OE1-NZ 3.23Å; E571-K573 PolarHBondContact OE1-NZ 3.2Å; E571-K573 IonicContact OE2-NZ 2.76Å; K573-D575 PolarHBondContact O-N 3.09Å |
| 574 | S | 59.5 | Low | 85.2 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | trans | -76.2 | 80.9 | 173.4 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | E572 G576 C767 | E572-S574 PolarHBondContact O-N 3.44Å; S574-G576 PolarHBondContact O-N 3.17Å; S574-C767 PolarHBondContact OG-SG 3.37Å | ||
| 575 | D | 62.2 | Low | 85.2 | Confident | 141 Ų | 141 | 29.8 Ų | 29.8 | 75% | 0.754 | 16% | 0.158 | S | C | * | . | trans | -67.6 | 0.2 | 178.3 | -121.1 | -27.9 | 0 | 0 | 0 | 114.5 | K573 K914 | K573-D575 PolarHBondContact O-N 3.09Å; D575-K914 IonicContact OD1-NZ 3.29Å; D575-K914 PolarHBondContact OD1-NZ 2.85Å | ||
| 576 | G | 72.5 | Confident | 85.2 | Confident | 20 Ų | 20 | 28.3 Ų | 28.3 | 21% | 0.206 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -134.5 | 168.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | S574 | S574-G576 PolarHBondContact O-N 3.17Š|
| 577 | P | 84.3 | Confident | 85.3 | Confident | 43 Ų | 43 | 29 Ų | 29 | 28% | 0.279 | 15% | 0.152 | S | C | . | . | trans | -61.9 | 149 | 177.9 | 28.3 | -35.4 | 0 | 0 | 0 | 111.2 | P604 G768 L910 | P577-P604 HydrophobicContact CB-CB 4.08Å; P577-P604 HydrophobicContact CG-CB 4.47Å; P577-G768 PolarHBondContact O-N 3.14Å; P577-L910 HydrophobicContact CB-CD2 3.75Å; P577-L910 HydrophobicContact CG-CD2 4.28Å | ||
| 578 | I | 91.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.2 | -177.1 | -61.9 | 168.5 | 0 | 0 | 0 | 109.6 | I570 F580 T605 P607 L617 M765 L766 | I570-I578 HydrophobicContact CD1-CD1 4.05Å; I570-I578 HydrophobicContact CG2-CD1 3.56Å; I578-F580 HydrophobicContact CG2-CE1 4.23Å; I578-F580 HydrophobicContact CG2-CE2 4.32Å; I578-F580 HydrophobicContact CG2-CZ 3.89Å; I578-T605 PolarHBondContact N-O 2.91Å; I578-T605 PolarHBondContact O-N 2.87Å; I578-P607 HydrophobicContact CD1-CB 4.07Å; I578-P607 HydrophobicContact CD1-CG 3.94Å; I578-L617 HydrophobicContact CB-CD1 4.22Å; I578-L617 HydrophobicContact CB-CD2 4.22Å; I578-L617 HydrophobicContact CD1-CD2 4.24Å; I578-L617 HydrophobicContact CG2-CD1 4.03Å; I578-M765 HydrophobicContact CD1-CE 3.76Å; I578-M765 HydrophobicContact CG1-CE 4.24Å; I578-M765 HydrophobicContact CG2-CE 3.98Å; I578-M765 HydrophobicContact CG2-CG 4.12Å; I578-L766 VanDerWaalsContact CA-O 3.31Å; I578-L766 WeakPolarHBondContact CA-O 3.18Å |
| 579 | E | 91.9 | Very high | 84.9 | Confident | 26 Ų | 26 | 29.5 Ų | 29.5 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 153.7 | 167.1 | -62.1 | -178.1 | 155 | 0 | 0 | 109.4 | K590 P604 L766 | E579-K590 IonicContact OE1-NZ 3.09Å; E579-K590 IonicContact OE2-NZ 2.97Å; E579-K590 PolarHBondContact OE2-NZ 3.47Å; E579-P604 HydrophobicContact CG-CB 3.73Å; E579-P604 WeakPolarHBondContact OE1-CD 3.37Å; E579-L766 HydrophobicContact CB-CB 4.3Å; E579-L766 PolarHBondContact N-O 3.41Å; E579-L766 PolarHBondContact O-N 3.33Å |
| 580 | F | 95.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.6 | 161.9 | -56.7 | -70.7 | 0 | 0 | 0 | 110.2 | F564 A567 I578 T601 T602 L617 W619 W764 M765 L803 L823 | F564-F580 HydrophobicContact CD1-CB 4.35Å; F564-F580 HydrophobicContact CD1-CD2 4.16Å; F564-F580 HydrophobicContact CD1-CG 4.45Å; F564-F580 HydrophobicContact CE1-CB 3.46Å; F564-F580 VanDerWaalsContact CE1-CB 3.46Å; F564-F580 HydrophobicContact CE1-CD2 4.04Å; F564-F580 AromaticContact CE1-CG 3.87Å; F564-F580 HydrophobicContact CE1-CG 3.87Å; F564-F580 HydrophobicContact CZ-CB 3.7Å; A567-F580 HydrophobicContact CB-CE2 3.56Å; A567-F580 HydrophobicContact CB-CZ 3.9Å; I578-F580 HydrophobicContact CG2-CE1 4.23Å; I578-F580 HydrophobicContact CG2-CE2 4.32Å; I578-F580 HydrophobicContact CG2-CZ 3.89Å; F580-T601 CarbonylContact O-C 3.57Å; F580-T601 WeakPolarHBondContact O-CA 3.34Å; F580-T602 HydrophobicContact CB-CG2 4.06Å; F580-T602 HydrophobicContact CD2-CG2 4.37Å; F580-T602 PolarHBondContact N-OG1 2.69Å; F580-T602 PolarHBondContact O-N 2.91Å; F580-L617 HydrophobicContact CD2-CD1 4.46Å; F580-L617 HydrophobicContact CE2-CD1 3.58Å; F580-L617 HydrophobicContact CZ-CD1 4.18Å; F580-W619 AromaticContact CD2-CH2 3.78Å; F580-W619 HydrophobicContact CD2-CH2 3.78Å; F580-W619 AromaticContact CD2-CZ2 3.91Å; F580-W619 HydrophobicContact CD2-CZ2 3.91Å; F580-W619 AromaticContact CE2-CH2 3.75Å; F580-W619 HydrophobicContact CE2-CH2 3.75Å; F580-W619 AromaticContact CE2-CZ2 3.92Å; F580-W619 HydrophobicContact CE2-CZ2 3.92Å; F580-W764 CarbonylContact C-O 3.25Å; F580-W764 WeakPolarHBondContact CA-O 3.38Å; F580-M765 HydrophobicContact CD1-CB 4.02Å; F580-M765 HydrophobicContact CD1-CG 4.31Å; F580-M765 HydrophobicContact CE1-CB 3.83Å; F580-M765 HydrophobicContact CE1-CG 3.73Å; F580-M765 HydrophobicContact CE1-SD 4.44Å; F580-L803 HydrophobicContact CD1-CD1 4.42Å; F580-L803 HydrophobicContact CE1-CD1 4.01Å; F580-L823 HydrophobicContact CD1-CD1 3.84Å; F580-L823 HydrophobicContact CD1-CD2 4.22Å; F580-L823 HydrophobicContact CD2-CD2 4.33Å; F580-L823 HydrophobicContact CE1-CD1 3.97Å; F580-L823 HydrophobicContact CE1-CD2 3.57Å; F580-L823 HydrophobicContact CE1-CG 4.36Å; F580-L823 HydrophobicContact CE2-CD2 3.69Å; F580-L823 HydrophobicContact CG-CD1 4.2Å; F580-L823 HydrophobicContact CZ-CD1 4.41Å; F580-L823 HydrophobicContact CZ-CD2 3.28Å; F580-L823 HydrophobicContact CZ-CG 4.47Å |
| 581 | E | 95.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135 | 176.7 | 173 | -169.9 | 65.2 | 0 | 0 | 110 | K590 S600 T601 I763 W764 L766 R771 | E581-K590 WeakPolarHBondContact OE2-CB 3.31Å; E581-K590 PolarHBondContact OE2-N 3.04Å; E581-S600 WeakPolarHBondContact CA-O 3.48Å; E581-T601 HydrophobicContact CB-CG2 3.63Å; E581-T601 HydrophobicContact CG-CG2 3.77Å; E581-I763 CarbonylContact O-C 3.57Å; E581-I763 WeakPolarHBondContact O-CA 3.06Å; E581-W764 HydrophobicContact CB-CB 4.24Å; E581-W764 PolarHBondContact N-O 3.49Å; E581-W764 PolarHBondContact O-N 2.81Å; E581-L766 HydrophobicContact CB-CD1 3.52Å; E581-R771 IonicContact OE1-CZ 3.96Å; E581-R771 IonicContact OE1-NE 2.91Å; E581-R771 PolarHBondContact OE1-NE 3.41Å; E581-R771 IonicContact OE1-NH2 2.87Å; E581-R771 PolarHBondContact OE1-NH2 2.84Å; E581-R771 IonicContact OE2-NH2 2.74Å; E581-R771 PolarHBondContact OE2-NH2 2.72Å |
| 582 | I | 96 | Very high | 83.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.9 | 175.9 | -60.6 | -59.3 | 0 | 0 | 0 | 109 | L560 V562 F564 S600 T626 V628 I761 I763 | L560-I582 HydrophobicContact CD2-CG2 3.44Å; L560-I582 VanDerWaalsContact CD2-CG2 3.44Å; L560-I582 HydrophobicContact CG-CG2 4.12Å; V562-I582 HydrophobicContact CB-CD1 4.25Å; V562-I582 HydrophobicContact CB-CG1 4.07Å; V562-I582 HydrophobicContact CG1-CD1 4.12Å; V562-I582 HydrophobicContact CG1-CG1 4.39Å; V562-I582 HydrophobicContact CG2-CD1 4.01Å; V562-I582 HydrophobicContact CG2-CG1 3.98Å; V562-I582 HydrophobicContact CG2-CG2 3.92Å; F564-I582 HydrophobicContact CE2-CD1 4.24Å; F564-I582 HydrophobicContact CE2-CG1 3.98Å; F564-I582 HydrophobicContact CZ-CD1 3.63Å; F564-I582 HydrophobicContact CZ-CG1 3.77Å; I582-S600 PolarHBondContact N-O 3.02Å; I582-S600 VanDerWaalsContact O-CB 3.28Å; I582-S600 WeakPolarHBondContact O-CB 3.18Å; I582-T626 HydrophobicContact CG1-CG2 4.3Å; I582-T626 WeakPolarHBondContact CG1-OG1 3.4Å; I582-V628 HydrophobicContact CG2-CG2 4.24Å; I582-I761 HydrophobicContact CG2-CG2 4.24Å; I582-I763 HydrophobicContact CD1-CB 4.02Å; I582-I763 HydrophobicContact CD1-CD1 3.62Å; I582-I763 HydrophobicContact CD1-CG1 3.47Å; I582-I763 VanDerWaalsContact CD1-CG1 3.47Å; I582-I763 HydrophobicContact CD1-CG2 3.85Å |
| 583 | S | 95.2 | Very high | 84.2 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.6 | 174.8 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | H587 I761 I762 | S583-H587 CarbonylContact C-O 3.56Å; S583-H587 WeakPolarHBondContact CA-O 3.18Å; S583-H587 WeakPolarHBondContact CB-O 3.37Å; S583-I761 WeakPolarHBondContact O-CA 3.45Å; S583-I762 PolarHBondContact N-O 3.33Å; S583-I762 PolarHBondContact O-N 3.15Å |
| 584 | I | 95.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 116.8 | 168.2 | -173.5 | 175 | 0 | 0 | 0 | 108.3 | L560 H587 V628 W632 I758 P759 I761 F829 | L560-I584 HydrophobicContact CD2-CB 4.3Å; L560-I584 HydrophobicContact CD2-CG2 4.14Å; I584-H587 HydrophobicContact CG2-CB 4.33Å; I584-H587 PolarHBondContact N-O 3.5Å; I584-H587 WeakPolarHBondContact O-CB 3.18Å; I584-H587 PolarHBondContact O-N 3.21Å; I584-V628 HydrophobicContact CG2-CG1 4.17Å; I584-W632 HydrophobicContact CG1-CZ2 4.16Å; I584-W632 HydrophobicContact CG2-CZ2 4.5Å; I584-I758 HydrophobicContact CD1-CG2 3.97Å; I584-P759 HydrophobicContact CG1-CB 4.32Å; I584-I761 HydrophobicContact CB-CG1 4.3Å; I584-I761 HydrophobicContact CD1-CG1 3.97Å; I584-I761 HydrophobicContact CG1-CG1 4.29Å; I584-F829 HydrophobicContact CD1-CD2 4.29Å; I584-F829 HydrophobicContact CD1-CE1 4.37Å; I584-F829 HydrophobicContact CD1-CE2 3.66Å; I584-F829 HydrophobicContact CD1-CZ 3.71Å |
| 585 | G | 93.2 | Very high | 85.9 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -135.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y517 H587 | Y517-G585 VanDerWaalsContact CD1-CA 3.41Å; Y517-G585 VanDerWaalsContact CE1-CA 3.4Å; G585-H587 VanDerWaalsContact C-N 3.35Å |
| 586 | N | 91.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -20.6 | 169.8 | -76 | -7.1 | 0 | 0 | 0 | 113.2 | D374 R495 G588 N589 D592 S594 V595 | D374-N586 VanDerWaalsContact CB-ND2 3.26Å; D374-N586 WeakPolarHBondContact CB-ND2 3.4Å; D374-N586 VanDerWaalsContact CG-ND2 3.35Å; D374-N586 PolarHBondContact OD1-ND2 3.29Å; R495-N586 PolarHBondContact NH1-OD1 2.9Å; R495-N586 VanDerWaalsContact NH1-OD1 3.08Å; R495-N586 PolarHBondContact NH2-OD1 3.36Å; R495-N586 VanDerWaalsContact NH2-OD1 3.17Å; N586-G588 PolarHBondContact O-N 2.96Å; N586-N589 WeakPolarHBondContact O-CB 2.99Å; N586-N589 PolarHBondContact O-N 2.83Å; N586-D592 PolarHBondContact ND2-OD2 3.15Å; N586-D592 VanDerWaalsContact ND2-OD2 3.16Å; N586-D592 PolarHBondContact OD1-OD2 3.11Å; N586-S594 PolarHBondContact ND2-OG 3.46Å; N586-V595 HydrophobicContact CB-CG1 3.74Å; N586-V595 HydrophobicContact CB-CG2 4.48Å; N586-V595 WeakPolarHBondContact O-CG2 3.5Å |
| 587 | H | 92.8 | Very high | 87.1 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 15% | 0.148 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 127.3 | -176.1 | -65.7 | -95.7 | 0 | 0 | 0 | 111.3 | S583 I584 G585 V628 D629 W632 | S583-H587 CarbonylContact C-O 3.56Å; S583-H587 WeakPolarHBondContact CA-O 3.18Å; S583-H587 WeakPolarHBondContact CB-O 3.37Å; I584-H587 HydrophobicContact CG2-CB 4.33Å; I584-H587 PolarHBondContact N-O 3.5Å; I584-H587 WeakPolarHBondContact O-CB 3.18Å; I584-H587 PolarHBondContact O-N 3.21Å; G585-H587 VanDerWaalsContact C-N 3.35Å; H587-V628 HydrophobicContact CB-CG1 3.58Å; H587-D629 PolarHBondContact ND1-O 2.71Å; H587-W632 AromaticContact CD2-CZ2 3.95Å |
| 588 | G | 89.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -10.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | N586 K590 S600 | N586-G588 PolarHBondContact O-N 2.96Å; G588-K590 PolarHBondContact O-N 3.07Å; G588-S600 VanDerWaalsContact CA-CB 3.47Å; G588-S600 WeakPolarHBondContact O-CB 3.38Å; G588-S600 PolarHBondContact O-OG 3.22Å |
| 589 | N | 89 | Confident | 87 | Confident | 14 Ų | 14 | 33 Ų | 33 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -71.4 | 113.5 | 174.7 | 175.1 | 5.7 | 0 | 0 | 0 | 110.9 | R495 N586 L591 D592 R771 | R495-N589 PolarHBondContact NH1-ND2 2.98Å; N586-N589 WeakPolarHBondContact O-CB 2.99Å; N586-N589 PolarHBondContact O-N 2.83Å; N589-L591 PolarHBondContact O-N 3.16Å; N589-L591 VanDerWaalsContact O-N 3.13Å; N589-L591 PolarHBondContact OD1-N 3.38Å; N589-D592 HydrophobicContact CB-CB 4.03Å; N589-D592 PolarHBondContact O-N 2.99Å; N589-D592 VanDerWaalsContact O-N 3.11Å; N589-R771 PolarHBondContact OD1-NH2 3.03Å | ||
| 590 | K | 78.9 | Confident | 87 | Confident | 98 Ų | 98 | 32 Ų | 32 | 43% | 0.426 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.1 | 179.9 | -82.7 | 178.7 | 165.1 | 166.8 | 0 | 114.8 | E579 E581 G588 T601 | E579-K590 IonicContact OE1-NZ 3.09Å; E579-K590 IonicContact OE2-NZ 2.97Å; E579-K590 PolarHBondContact OE2-NZ 3.47Å; E581-K590 WeakPolarHBondContact OE2-CB 3.31Å; E581-K590 PolarHBondContact OE2-N 3.04Å; G588-K590 PolarHBondContact O-N 3.07Å; K590-T601 HydrophobicContact CD-CG2 3.74Å; K590-T601 WeakPolarHBondContact CE-OG1 3.04Å; K590-T601 HydrophobicContact CG-CG2 4.06Å; K590-T601 PolarHBondContact NZ-OG1 2.83Å |
| 591 | L | 77.5 | Confident | 86.8 | Confident | 81 Ų | 81 | 33.9 Ų | 33.9 | 42% | 0.424 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.7 | -179.3 | -58.1 | -178.3 | 0 | 0 | 0 | 113.3 | R495 N589 | R495-L591 WeakPolarHBondContact O-CD1 3.46Å; N589-L591 PolarHBondContact O-N 3.16Å; N589-L591 VanDerWaalsContact O-N 3.13Å; N589-L591 PolarHBondContact OD1-N 3.38Å |
| 592 | D | 79.2 | Confident | 86.7 | Confident | 24 Ų | 24 | 34 Ų | 34 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | trans | -107.2 | 110.9 | -177.9 | -161.2 | -64.6 | 0 | 0 | 0 | 112.1 | R495 N586 N589 S594 | R495-D592 IonicContact CZ-OD2 2.62Å; R495-D592 IonicContact NH1-OD2 3.2Å; R495-D592 PolarHBondContact NH1-OD2 2.89Å; R495-D592 IonicContact NH2-OD2 2.58Å; N586-D592 PolarHBondContact ND2-OD2 3.15Å; N586-D592 VanDerWaalsContact ND2-OD2 3.16Å; N586-D592 PolarHBondContact OD1-OD2 3.11Å; N589-D592 HydrophobicContact CB-CB 4.03Å; N589-D592 PolarHBondContact O-N 2.99Å; N589-D592 VanDerWaalsContact O-N 3.11Å; D592-S594 WeakPolarHBondContact OD1-CA 3.23Å; D592-S594 WeakPolarHBondContact OD1-CB 3.37Å; D592-S594 PolarHBondContact OD1-N 2.81Å; D592-S594 PolarHBondContact OD1-OG 2.87Å | ||
| 593 | E | 74.2 | Confident | 86.2 | Confident | 176 Ų | 176 | 34.6 Ų | 34.6 | 82% | 0.822 | 19% | 0.191 | S | C | * | . | trans | -90.2 | 7.9 | 179.2 | -60.7 | -169.4 | 179.4 | 0 | 0 | 113.6 | K1114 | E593-K1114 PolarHBondContact O-NZ 3.2Š| ||
| 594 | S | 76.1 | Confident | 85.7 | Confident | 50 Ų | 50 | 35.2 Ų | 35.2 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -81.2 | -37.6 | 177.7 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | N586 D592 K1114 | N586-S594 PolarHBondContact ND2-OG 3.46Å; D592-S594 WeakPolarHBondContact OD1-CA 3.23Å; D592-S594 WeakPolarHBondContact OD1-CB 3.37Å; D592-S594 PolarHBondContact OD1-N 2.81Å; D592-S594 PolarHBondContact OD1-OG 2.87Å; S594-K1114 PolarHBondContact O-NZ 3.31Å |
| 595 | V | 81.7 | Confident | 85.2 | Confident | 22 Ų | 22 | 35.2 Ų | 35.2 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -90.7 | 172.7 | -176.7 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | N586 K1114 | N586-V595 HydrophobicContact CB-CG1 3.74Å; N586-V595 HydrophobicContact CB-CG2 4.48Å; N586-V595 WeakPolarHBondContact O-CG2 3.5Å; V595-K1114 PolarHBondContact O-NZ 3.08Å |
| 596 | T | 77.5 | Confident | 84.7 | Confident | 76 Ų | 76 | 35.8 Ų | 35.8 | 47% | 0.466 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -78.5 | 137.9 | 170.7 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | V1095 L1117 | T596-V1095 HydrophobicContact CG2-CG1 4.36Å; T596-V1095 HydrophobicContact CG2-CG2 4.27Å; T596-L1117 HydrophobicContact CG2-CD1 4.28Å |
| 597 | P | 82.4 | Confident | 84.5 | Confident | 53 Ų | 53 | 36.8 Ų | 36.8 | 34% | 0.344 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -56.6 | 142.3 | 176.9 | -26.9 | 35.9 | 0 | 0 | 0 | 112.8 | V1095 V1119 | P597-V1095 VanDerWaalsContact O-CG2 3.28Å; P597-V1095 WeakPolarHBondContact O-CG2 3.5Å; P597-V1119 HydrophobicContact CB-CG1 3.72Å |
| 598 | C | 86.4 | Confident | 83.8 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 10% | 0.101 | 20% | 0.199 | C | C | . | . | trans | -121.6 | 161.2 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | S600 V628 | C598-S600 PolarHBondContact O-N 3.4Å; C598-V628 HydrophobicContact CB-CB 4.4Å; C598-V628 HydrophobicContact CB-CG1 4.29Å; C598-V628 HydrophobicContact CB-CG2 4.24Å | ||
| 599 | A | 88.1 | Confident | 83.5 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 60.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T626 M627 P1120 I1122 | A599-T626 CarbonylContact O-C 3.49Å; A599-T626 WeakPolarHBondContact O-CA 3.5Å; A599-T626 WeakPolarHBondContact O-CB 3.47Å; A599-M627 CarbonylContact C-O 3.52Å; A599-M627 PolarHBondContact N-O 2.89Å; A599-M627 PolarHBondContact O-N 3.36Å; A599-P1120 WeakPolarHBondContact CB-O 3.23Å; A599-I1122 HydrophobicContact CB-CD1 3.72Å; A599-I1122 HydrophobicContact CB-CG1 4.13Å |
| 600 | S | 91.7 | Very high | 82.9 | Confident | 7 Ų | 7 | 36 Ų | 36 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | trans | -90.2 | -6.8 | -166.1 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | E581 I582 G588 C598 T626 | E581-S600 WeakPolarHBondContact CA-O 3.48Å; I582-S600 PolarHBondContact N-O 3.02Å; I582-S600 VanDerWaalsContact O-CB 3.28Å; I582-S600 WeakPolarHBondContact O-CB 3.18Å; G588-S600 VanDerWaalsContact CA-CB 3.47Å; G588-S600 WeakPolarHBondContact O-CB 3.38Å; G588-S600 PolarHBondContact O-OG 3.22Å; C598-S600 PolarHBondContact O-N 3.4Å; S600-T626 VanDerWaalsContact C-CG2 3.42Å; S600-T626 WeakPolarHBondContact O-CG2 3.27Å | ||
| 601 | T | 91.5 | Very high | 82.4 | Confident | 38 Ų | 38 | 31.7 Ų | 31.7 | 23% | 0.233 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -129.3 | 140.7 | -171.9 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | F580 E581 K590 | F580-T601 CarbonylContact O-C 3.57Å; F580-T601 WeakPolarHBondContact O-CA 3.34Å; E581-T601 HydrophobicContact CB-CG2 3.63Å; E581-T601 HydrophobicContact CG-CG2 3.77Å; K590-T601 HydrophobicContact CD-CG2 3.74Å; K590-T601 WeakPolarHBondContact CE-OG1 3.04Å; K590-T601 HydrophobicContact CG-CG2 4.06Å; K590-T601 PolarHBondContact NZ-OG1 2.83Å |
| 602 | T | 92.1 | Very high | 82.2 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 156.5 | 171.9 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | F564 F580 W619 P624 | F564-T602 HydrophobicContact CD1-CG2 4.18Å; F564-T602 HydrophobicContact CD2-CG2 3.58Å; F564-T602 HydrophobicContact CE1-CG2 4.19Å; F564-T602 HydrophobicContact CE2-CG2 3.6Å; F564-T602 HydrophobicContact CG-CG2 3.87Å; F564-T602 HydrophobicContact CZ-CG2 3.88Å; F580-T602 HydrophobicContact CB-CG2 4.06Å; F580-T602 HydrophobicContact CD2-CG2 4.37Å; F580-T602 PolarHBondContact N-OG1 2.69Å; F580-T602 PolarHBondContact O-N 2.91Å; T602-W619 HydrophobicContact CG2-CZ2 4.33Å; T602-P624 HydrophobicContact CG2-CB 3.74Å; T602-P624 HydrophobicContact CG2-CG 4.42Å |
| 603 | P | 85.4 | Confident | 82.2 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 140.5 | 169.5 | -28.7 | 37.9 | 0 | 0 | 0 | 113.3 | T605 R1121 F1123 | P603-T605 PolarHBondContact O-N 3.35Å; P603-T605 PolarHBondContact O-OG1 2.95Å; P603-T605 VanDerWaalsContact O-OG1 3.08Å; P603-R1121 VanDerWaalsContact CB-NH1 3.32Å; P603-F1123 HydrophobicContact CG-CE1 3.94Å; P603-F1123 HydrophobicContact CG-CZ 4.15Å |
| 604 | P | 85.2 | Confident | 82.8 | Confident | 18 Ų | 18 | 25.9 Ų | 25.9 | 12% | 0.117 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 127.2 | 173.4 | 28.2 | -33.9 | 0 | 0 | 0 | 109.5 | P577 E579 S909 L910 | P577-P604 HydrophobicContact CB-CB 4.08Å; P577-P604 HydrophobicContact CG-CB 4.47Å; E579-P604 HydrophobicContact CG-CB 3.73Å; E579-P604 WeakPolarHBondContact OE1-CD 3.37Å; P604-S909 PolarHBondContact O-OG 2.86Å; P604-L910 HydrophobicContact CB-CD2 4.1Å; P604-L910 HydrophobicContact CG-CD1 4.49Å; P604-L910 HydrophobicContact CG-CD2 4.32Å; P604-L910 WeakPolarHBondContact O-CD2 3.49Å |
| 605 | T | 84.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -131.6 | 129.7 | -173.3 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | I578 P603 L617 W619 | I578-T605 PolarHBondContact N-O 2.91Å; I578-T605 PolarHBondContact O-N 2.87Å; P603-T605 PolarHBondContact O-N 3.35Å; P603-T605 PolarHBondContact O-OG1 2.95Å; P603-T605 VanDerWaalsContact O-OG1 3.08Å; T605-L617 HydrophobicContact CG2-CB 4.01Å; T605-L617 HydrophobicContact CG2-CD2 4.07Å; T605-L617 HydrophobicContact CG2-CG 4.44Å; T605-W619 PolarHBondContact OG1-NE1 3.24Å |
| 606 | N | 83.5 | Confident | 83.7 | Confident | 16 Ų | 16 | 25.7 Ų | 25.7 | 9% | 0.086 | 14% | 0.144 | C | C | . | . | trans | -70.8 | 130.4 | 170.8 | -68.2 | -6.3 | 0 | 0 | 0 | 108.5 | S909 L910 Y912 K1062 | N606-S909 PolarHBondContact N-O 3.17Å; N606-L910 PolarHBondContact ND2-O 2.91Å; N606-Y912 PolarHBondContact ND2-O 2.86Å; N606-K1062 PolarHBondContact ND2-NZ 3Å | ||
| 607 | P | 86.1 | Confident | 84.2 | Confident | 24 Ų | 24 | 22.4 Ų | 22.4 | 16% | 0.156 | 12% | 0.124 | C | C | . | . | trans | -62.2 | 142.9 | 173 | 24.1 | -31.7 | 0 | 0 | 0 | 111.7 | I578 Y615 L617 | I578-P607 HydrophobicContact CD1-CB 4.07Å; I578-P607 HydrophobicContact CD1-CG 3.94Å; P607-Y615 HydrophobicContact CB-CD1 3.92Å; P607-Y615 HydrophobicContact CB-CG 4.25Å; P607-L617 HydrophobicContact CB-CD2 4.2Å | ||
| 608 | V | 79.2 | Confident | 84.2 | Confident | 8 Ų | 8 | 21.2 Ų | 21.2 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 140.3 | 174.3 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | Y615 Y616 P618 Y912 A916 | V608-Y615 VanDerWaalsContact C-CD1 3.4Å; V608-Y615 CarbonylContact O-C 3.53Å; V608-Y615 WeakPolarHBondContact O-CA 3.22Å; V608-Y615 WeakPolarHBondContact O-CD1 3.33Å; V608-Y616 HydrophobicContact CB-CE1 4.2Å; V608-Y616 HydrophobicContact CG1-CE1 3.96Å; V608-Y616 PolarHBondContact N-O 3.02Å; V608-Y616 VanDerWaalsContact O-CD1 3.3Å; V608-Y616 WeakPolarHBondContact O-CD1 3.31Å; V608-Y616 PolarHBondContact O-N 2.79Å; V608-P618 HydrophobicContact CB-CG 4.34Å; V608-P618 HydrophobicContact CG2-CG 3.75Å; V608-Y912 HydrophobicContact CG2-CD1 3.47Å; V608-Y912 VanDerWaalsContact CG2-CD1 3.47Å; V608-Y912 HydrophobicContact CG2-CD2 3.94Å; V608-Y912 HydrophobicContact CG2-CE1 4.01Å; V608-Y912 HydrophobicContact CG2-CE2 4.44Å; V608-Y912 HydrophobicContact CG2-CG 3.43Å; V608-Y912 VanDerWaalsContact CG2-CG 3.43Å; V608-A916 HydrophobicContact CG1-CB 4.14Å; V608-A916 HydrophobicContact CG2-CB 4.13Å |
| 609 | S | 82.4 | Confident | 83.8 | Confident | 9 Ų | 9 | 21.9 Ų | 21.9 | 6% | 0.063 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 144.5 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | G611 A916 G917 | S609-G611 PolarHBondContact O-N 2.89Å; S609-G611 PolarHBondContact OG-N 2.88Å; S609-A916 PolarHBondContact N-O 3.13Å; S609-G917 WeakPolarHBondContact O-CA 3.2Å |
| 610 | D | 76.7 | Confident | 83.1 | Confident | 18 Ų | 18 | 23.5 Ų | 23.5 | 10% | 0.096 | 13% | 0.134 | C | C | . | . | trans | -75.3 | -2.8 | 169.7 | 67 | 2.9 | 0 | 0 | 0 | 113.9 | L612 H613 Y614 G1163 S1165 | D610-L612 PolarHBondContact OD1-N 3.43Å; D610-H613 PolarHBondContact OD1-N 3.26Å; D610-Y614 PolarHBondContact N-O 2.99Å; D610-Y614 PolarHBondContact OD1-N 3.05Å; D610-Y614 VanDerWaalsContact OD1-N 3.09Å; D610-Y614 VanDerWaalsContact OD1-O 3.08Å; D610-Y614 WeakPolarHBondContact OD2-CB 3.31Å; D610-Y614 PolarHBondContact OD2-N 3.05Å; D610-G1163 WeakPolarHBondContact CB-O 3.39Å; D610-S1165 VanDerWaalsContact OD2-CB 3.27Å; D610-S1165 WeakPolarHBondContact OD2-CB 3.5Å; D610-S1165 PolarHBondContact OD2-OG 3.49Å | ||
| 611 | G | 68.3 | Low | 82.2 | Confident | 6 Ų | 6 | 26.6 Ų | 26.6 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 92 | -5.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S609 G917 T919 | S609-G611 PolarHBondContact O-N 2.89Å; S609-G611 PolarHBondContact OG-N 2.88Å; G611-G917 WeakPolarHBondContact CA-O 3.43Å; G611-G917 PolarHBondContact N-O 3.44Å; G611-T919 WeakPolarHBondContact O-CG2 3.14Å; G611-T919 PolarHBondContact O-OG1 2.9Å |
| 612 | L | 75 | Confident | 81.6 | Confident | 79 Ų | 79 | 27.3 Ų | 27.3 | 41% | 0.414 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -125.5 | -63.4 | -176.7 | -170.7 | 69.8 | 0 | 0 | 0 | 112.9 | D610 E1167 | D610-L612 PolarHBondContact OD1-N 3.43Å; L612-E1167 HydrophobicContact CD2-CB 4.47Å; L612-E1167 HydrophobicContact CD2-CG 3.88Å |
| 613 | H | 77.4 | Confident | 81.5 | Confident | 67 Ų | 67 | 28.6 Ų | 28.6 | 31% | 0.31 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -150.7 | -30.8 | -170.9 | -172.6 | -85.7 | 0 | 0 | 0 | 114.7 | D610 R1158 | D610-H613 PolarHBondContact OD1-N 3.26Å; H613-R1158 VanDerWaalsContact CD2-CZ 3.42Å; H613-R1158 PolarHBondContact CD2-NH1 2.96Å; H613-R1158 VanDerWaalsContact CD2-NH1 3.34Å; H613-R1158 PolarHBondContact CD2-NH2 2.89Å; H613-R1158 PolarHBondContact CE1-NH1 3.24Å; H613-R1158 PolarHBondContact NE2-NH1 2.9Å |
| 614 | Y | 87.5 | Confident | 81.9 | Confident | 13 Ų | 13 | 28 Ų | 28 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | trans | -109.2 | 165.9 | -174.7 | -72.7 | -67.2 | 0 | 0 | 0 | 112.7 | M569 D610 E1207 | M569-Y614 HydrophobicContact CB-CD1 4.47Å; M569-Y614 HydrophobicContact CE-CD1 4.39Å; M569-Y614 HydrophobicContact CE-CD2 4.01Å; M569-Y614 HydrophobicContact CE-CE1 3.9Å; M569-Y614 HydrophobicContact CE-CE2 3.44Å; M569-Y614 VanDerWaalsContact CE-CE2 3.44Å; M569-Y614 HydrophobicContact CE-CG 4.45Å; M569-Y614 HydrophobicContact SD-CD1 4.2Å; M569-Y614 HydrophobicContact SD-CD2 3.51Å; M569-Y614 VanDerWaalsContact SD-CD2 3.51Å; M569-Y614 HydrophobicContact SD-CE1 4.3Å; M569-Y614 HydrophobicContact SD-CE2 3.6Å; M569-Y614 VanDerWaalsContact SD-CE2 3.6Å; M569-Y614 HydrophobicContact SD-CG 3.82Å; D610-Y614 PolarHBondContact N-O 2.99Å; D610-Y614 PolarHBondContact OD1-N 3.05Å; D610-Y614 VanDerWaalsContact OD1-N 3.09Å; D610-Y614 VanDerWaalsContact OD1-O 3.08Å; D610-Y614 WeakPolarHBondContact OD2-CB 3.31Å; D610-Y614 PolarHBondContact OD2-N 3.05Å; Y614-E1207 WeakPolarHBondContact CE2-OE2 3.3Å; Y614-E1207 PolarHBondContact OH-OE1 2.86Å; Y614-E1207 PolarHBondContact OH-OE2 2.76Å | ||
| 615 | Y | 87.3 | Confident | 82.3 | Confident | 24 Ų | 24 | 27.4 Ų | 27.4 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 156.8 | 174.8 | -69.7 | -104.5 | 0 | 0 | 0 | 111.2 | T568 M569 I570 E572 P607 V608 K918 | T568-Y615 CarbonylContact C-O 3.46Å; M569-Y615 PolarHBondContact N-O 2.87Å; I570-Y615 WeakPolarHBondContact CB-O 3.2Å; I570-Y615 PolarHBondContact N-O 3.03Å; I570-Y615 PolarHBondContact O-N 3.01Å; I570-Y615 VanDerWaalsContact O-N 3.08Å; E572-Y615 HydrophobicContact CB-CD2 4.21Å; E572-Y615 HydrophobicContact CB-CE2 3.55Å; E572-Y615 HydrophobicContact CG-CE2 3.69Å; E572-Y615 PolarHBondContact OE1-OH 3.42Å; P607-Y615 HydrophobicContact CB-CD1 3.92Å; P607-Y615 HydrophobicContact CB-CG 4.25Å; V608-Y615 VanDerWaalsContact C-CD1 3.4Å; V608-Y615 CarbonylContact O-C 3.53Å; V608-Y615 WeakPolarHBondContact O-CA 3.22Å; V608-Y615 WeakPolarHBondContact O-CD1 3.33Å; Y615-K918 WeakPolarHBondContact OH-CE 3.33Å; Y615-K918 PolarHBondContact OH-NZ 2.86Å |
| 616 | Y | 88.4 | Confident | 82.7 | Confident | 44 Ų | 44 | 27.4 Ų | 27.4 | 17% | 0.173 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 164.6 | 177.1 | 70.8 | -78.3 | 0 | 0 | 0 | 111.3 | A567 V608 P618 | A567-Y616 CarbonylContact O-C 3.52Å; A567-Y616 VanDerWaalsContact O-CA 3.25Å; A567-Y616 WeakPolarHBondContact O-CA 3.27Å; A567-Y616 WeakPolarHBondContact O-CB 3.4Å; V608-Y616 HydrophobicContact CB-CE1 4.2Å; V608-Y616 HydrophobicContact CG1-CE1 3.96Å; V608-Y616 PolarHBondContact N-O 3.02Å; V608-Y616 VanDerWaalsContact O-CD1 3.3Å; V608-Y616 WeakPolarHBondContact O-CD1 3.31Å; V608-Y616 PolarHBondContact O-N 2.79Å; Y616-P618 HydrophobicContact CD2-CB 4.48Å; Y616-P618 HydrophobicContact CE2-CB 3.93Å |
| 617 | L | 88.5 | Confident | 83.1 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | trans | -101.8 | 112.5 | 175.8 | -55.2 | -169.2 | 0 | 0 | 0 | 110.6 | A567 I570 I578 F580 T605 P607 W619 | A567-L617 HydrophobicContact CB-CB 4.21Å; A567-L617 HydrophobicContact CB-CD1 4.12Å; A567-L617 HydrophobicContact CB-CG 4.03Å; A567-L617 PolarHBondContact O-N 3.12Å; I570-L617 HydrophobicContact CD1-CD2 3.75Å; I570-L617 HydrophobicContact CD1-CG 3.75Å; I578-L617 HydrophobicContact CB-CD1 4.22Å; I578-L617 HydrophobicContact CB-CD2 4.22Å; I578-L617 HydrophobicContact CD1-CD2 4.24Å; I578-L617 HydrophobicContact CG2-CD1 4.03Å; F580-L617 HydrophobicContact CD2-CD1 4.46Å; F580-L617 HydrophobicContact CE2-CD1 3.58Å; F580-L617 HydrophobicContact CZ-CD1 4.18Å; T605-L617 HydrophobicContact CG2-CB 4.01Å; T605-L617 HydrophobicContact CG2-CD2 4.07Å; T605-L617 HydrophobicContact CG2-CG 4.44Å; P607-L617 HydrophobicContact CB-CD2 4.2Å; L617-W619 HydrophobicContact CB-CD2 4.27Å; L617-W619 HydrophobicContact CB-CZ2 4.2Å; L617-W619 HydrophobicContact CD1-CH2 4.31Å; L617-W619 HydrophobicContact CD1-CZ2 3.6Å; L617-W619 PolarHBondContact O-N 2.94Å | ||
| 618 | P | 82.1 | Confident | 83.4 | Confident | 28 Ų | 28 | 25.9 Ų | 25.9 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | trans | -84.1 | 75.8 | -175.8 | 35.2 | -39.5 | 0 | 0 | 0 | 111.9 | V608 Y616 G620 Y912 | V608-P618 HydrophobicContact CB-CG 4.34Å; V608-P618 HydrophobicContact CG2-CG 3.75Å; Y616-P618 HydrophobicContact CD2-CB 4.48Å; Y616-P618 HydrophobicContact CE2-CB 3.93Å; P618-G620 VanDerWaalsContact C-N 3.35Å; P618-G620 PolarHBondContact O-N 3Å; P618-Y912 HydrophobicContact CB-CE2 4.44Å; P618-Y912 HydrophobicContact CG-CD2 3.99Å; P618-Y912 HydrophobicContact CG-CE1 4.05Å; P618-Y912 HydrophobicContact CG-CE2 3.32Å; P618-Y912 WeakPolarHBondContact CG-OH 3.46Å | ||
| 619 | W | 79 | Confident | 83.9 | Confident | 30 Ų | 30 | 27.2 Ų | 27.2 | 11% | 0.114 | 15% | 0.148 | C | C | . | . | trans | -75 | -13.3 | -178.9 | -67.2 | -42 | 0 | 0 | 0 | 115.6 | F564 A567 F580 T602 T605 L617 P624 | F564-W619 HydrophobicContact CB-CE3 4.34Å; F564-W619 HydrophobicContact CB-CH2 3.71Å; F564-W619 HydrophobicContact CB-CZ3 3.53Å; F564-W619 HydrophobicContact CD1-CH2 4.12Å; F564-W619 HydrophobicContact CG-CH2 4.22Å; F564-W619 HydrophobicContact CG-CZ3 4.48Å; A567-W619 HydrophobicContact CB-CH2 3.69Å; A567-W619 HydrophobicContact CB-CZ2 4.41Å; A567-W619 HydrophobicContact CB-CZ3 3.89Å; F580-W619 AromaticContact CD2-CH2 3.78Å; F580-W619 HydrophobicContact CD2-CH2 3.78Å; F580-W619 AromaticContact CD2-CZ2 3.91Å; F580-W619 HydrophobicContact CD2-CZ2 3.91Å; F580-W619 AromaticContact CE2-CH2 3.75Å; F580-W619 HydrophobicContact CE2-CH2 3.75Å; F580-W619 AromaticContact CE2-CZ2 3.92Å; F580-W619 HydrophobicContact CE2-CZ2 3.92Å; T602-W619 HydrophobicContact CG2-CZ2 4.33Å; T605-W619 PolarHBondContact OG1-NE1 3.24Å; L617-W619 HydrophobicContact CB-CD2 4.27Å; L617-W619 HydrophobicContact CB-CZ2 4.2Å; L617-W619 HydrophobicContact CD1-CH2 4.31Å; L617-W619 HydrophobicContact CD1-CZ2 3.6Å; L617-W619 PolarHBondContact O-N 2.94Å; W619-P624 HydrophobicContact CB-CG 4.45Å; W619-P624 HydrophobicContact CD2-CG 3.63Å; W619-P624 HydrophobicContact CE3-CG 4.17Å; W619-P624 HydrophobicContact CG-CG 3.77Å; W619-P624 HydrophobicContact CZ2-CG 4.12Å | ||
| 620 | G | 73.8 | Confident | 84.4 | Confident | 43 Ų | 43 | 26.9 Ų | 26.9 | 44% | 0.443 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -148.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P618 K623 | P618-G620 VanDerWaalsContact C-N 3.35Å; P618-G620 PolarHBondContact O-N 3Å; G620-K623 WeakPolarHBondContact O-CD 3.2Å; G620-K623 WeakPolarHBondContact O-CE 3.21Å; G620-K623 PolarHBondContact O-NZ 2.66Å |
| 621 | D | 73.2 | Confident | 85.2 | Confident | 71 Ų | 71 | 30.8 Ų | 30.8 | 38% | 0.38 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -28 | -176.2 | -54.3 | -35 | 0 | 0 | 0 | 114.1 | K623 F1126 | D621-K623 VanDerWaalsContact C-N 3.3Å; D621-K623 PolarHBondContact O-N 3.12Å; D621-K623 VanDerWaalsContact O-N 3.07Å; D621-F1126 PolarHBondContact O-N 3.25Å |
| 622 | D | 78.4 | Confident | 86.5 | Confident | 54 Ų | 54 | 30.6 Ų | 30.6 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 73 | 179.2 | -72.7 | -47.9 | 0 | 0 | 0 | 109.3 | F1123 R1125 | D622-F1123 HydrophobicContact CB-CB 4.43Å; D622-F1123 HydrophobicContact CB-CD1 4.22Å; D622-F1123 WeakPolarHBondContact O-CD1 3.21Å; D622-R1125 WeakPolarHBondContact OD1-CB 3.3Å; D622-R1125 WeakPolarHBondContact OD1-CD 3.48Å; D622-R1125 WeakPolarHBondContact OD1-CG 3.37Å; D622-R1125 IonicContact OD1-CZ 3.83Å; D622-R1125 IonicContact OD1-NE 3.76Å; D622-R1125 IonicContact OD1-NH1 2.73Å; D622-R1125 PolarHBondContact OD1-NH1 2.97Å; D622-R1125 IonicContact OD2-CZ 3.2Å; D622-R1125 IonicContact OD2-NH1 2.78Å; D622-R1125 PolarHBondContact OD2-NH1 3.04Å |
| 623 | K | 89.7 | Confident | 87.3 | Confident | 28 Ų | 28 | 27 Ų | 27 | 12% | 0.122 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 132.2 | -177.6 | -59.8 | -54.4 | -175.7 | -168.5 | 0 | 111 | L565 G620 D621 C625 F1123 M1124 F1126 C1191 | L565-K623 WeakPolarHBondContact O-CD 3.37Å; L565-K623 WeakPolarHBondContact O-CE 3.48Å; L565-K623 PolarHBondContact O-NZ 3.02Å; G620-K623 WeakPolarHBondContact O-CD 3.2Å; G620-K623 WeakPolarHBondContact O-CE 3.21Å; G620-K623 PolarHBondContact O-NZ 2.66Å; D621-K623 VanDerWaalsContact C-N 3.3Å; D621-K623 PolarHBondContact O-N 3.12Å; D621-K623 VanDerWaalsContact O-N 3.07Å; K623-C625 PolarHBondContact O-N 2.85Å; K623-F1123 CarbonylContact O-C 3.38Å; K623-F1123 VanDerWaalsContact O-CA 3.32Å; K623-F1123 WeakPolarHBondContact O-CA 3.42Å; K623-M1124 HydrophobicContact CB-CB 4.4Å; K623-M1124 PolarHBondContact N-O 2.78Å; K623-M1124 VanDerWaalsContact N-O 3.14Å; K623-M1124 PolarHBondContact O-N 2.86Å; K623-F1126 HydrophobicContact CB-CE2 4.14Å; K623-F1126 HydrophobicContact CG-CD2 3.8Å; K623-F1126 HydrophobicContact CG-CE2 3.56Å; K623-C1191 WeakPolarHBondContact CE-SG 3.36Å |
| 624 | P | 93.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 136.6 | 176.1 | -24.7 | 35.2 | 0 | 0 | 0 | 111.6 | F564 T602 W619 | F564-P624 HydrophobicContact CB-CB 4.47Å; F564-P624 PolarHBondContact N-O 3.26Å; T602-P624 HydrophobicContact CG2-CB 3.74Å; T602-P624 HydrophobicContact CG2-CG 4.42Å; W619-P624 HydrophobicContact CB-CG 4.45Å; W619-P624 HydrophobicContact CD2-CG 3.63Å; W619-P624 HydrophobicContact CE3-CG 4.17Å; W619-P624 HydrophobicContact CG-CG 3.77Å; W619-P624 HydrophobicContact CZ2-CG 4.12Å |
| 625 | C | 93.2 | Very high | 88.4 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.1 | 170.2 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | V562 K623 L847 I1122 M1124 | V562-C625 CarbonylContact O-C 3.6Å; V562-C625 VanDerWaalsContact O-CA 3.3Å; V562-C625 WeakPolarHBondContact O-CA 3.4Å; K623-C625 PolarHBondContact O-N 2.85Å; C625-L847 HydrophobicContact CB-CD1 4.5Å; C625-I1122 HydrophobicContact CB-CB 4.31Å; C625-I1122 HydrophobicContact CB-CG2 3.91Å; C625-I1122 PolarHBondContact N-O 3.14Å; C625-I1122 WeakPolarHBondContact O-CB 3.45Å; C625-M1124 HydrophobicContact CB-CG 3.92Å |
| 626 | T | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148.4 | 173.1 | 59.2 | 0 | 0 | 0 | 0 | 110 | Y561 V562 F564 I582 A599 S600 | Y561-T626 WeakPolarHBondContact CA-O 3.45Å; V562-T626 WeakPolarHBondContact CB-OG1 3.33Å; V562-T626 PolarHBondContact N-O 3.19Å; V562-T626 VanDerWaalsContact N-O 3.1Å; V562-T626 PolarHBondContact O-N 3.08Å; V562-T626 PolarHBondContact O-OG1 3.36Å; F564-T626 HydrophobicContact CE2-CG2 3.91Å; I582-T626 HydrophobicContact CG1-CG2 4.3Å; I582-T626 WeakPolarHBondContact CG1-OG1 3.4Å; A599-T626 CarbonylContact O-C 3.49Å; A599-T626 WeakPolarHBondContact O-CA 3.5Å; A599-T626 WeakPolarHBondContact O-CB 3.47Å; S600-T626 VanDerWaalsContact C-CG2 3.42Å; S600-T626 WeakPolarHBondContact O-CG2 3.27Å |
| 627 | M | 91.4 | Very high | 88.8 | Confident | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.039 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.3 | 172.3 | -177.3 | -139.4 | -64.8 | 0 | 0 | 108.9 | L560 Y561 A599 C1094 I1122 | L560-M627 WeakPolarHBondContact O-CA 3.21Å; Y561-M627 HydrophobicContact CD1-CB 4.3Å; Y561-M627 HydrophobicContact CD1-CG 4.32Å; Y561-M627 HydrophobicContact CE1-CB 4.09Å; Y561-M627 HydrophobicContact CE1-CE 4.21Å; Y561-M627 HydrophobicContact CE1-CG 3.79Å; A599-M627 CarbonylContact C-O 3.52Å; A599-M627 PolarHBondContact N-O 2.89Å; A599-M627 PolarHBondContact O-N 3.36Å; M627-C1094 HydrophobicContact CE-CB 4.04Å; M627-C1094 VanDerWaalsContact CE-SG 3.53Å; M627-I1122 HydrophobicContact CB-CD1 3.51Å; M627-I1122 HydrophobicContact CE-CD1 3.92Å |
| 628 | V | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 110.4 | 175.6 | -178 | 0 | 0 | 0 | 0 | 109.4 | L560 I582 I584 H587 C598 | L560-V628 HydrophobicContact CB-CB 4.21Å; L560-V628 HydrophobicContact CD2-CB 4.43Å; L560-V628 PolarHBondContact N-O 3.37Å; L560-V628 PolarHBondContact O-N 3.1Å; I582-V628 HydrophobicContact CG2-CG2 4.24Å; I584-V628 HydrophobicContact CG2-CG1 4.17Å; H587-V628 HydrophobicContact CB-CG1 3.58Å; C598-V628 HydrophobicContact CB-CB 4.4Å; C598-V628 HydrophobicContact CB-CG1 4.29Å; C598-V628 HydrophobicContact CB-CG2 4.24Å |
| 629 | D | 90.7 | Very high | 89.8 | Confident | 35 Ų | 35 | 20.4 Ų | 20.4 | 19% | 0.187 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.9 | 169.9 | -72.5 | -36.3 | 0 | 0 | 0 | 108.8 | Q559 H587 S1093 | Q559-D629 PolarHBondContact NE2-OD1 2.89Å; H587-D629 PolarHBondContact ND1-O 2.71Å; D629-S1093 VanDerWaalsContact OD2-CB 3.29Å; D629-S1093 WeakPolarHBondContact OD2-CB 3.36Å; D629-S1093 PolarHBondContact OD2-OG 2.79Å |
| 630 | S | 93.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 166.5 | -178.9 | 62.9 | 0 | 0 | 0 | 0 | 112.2 | K557 Y558 W632 | K557-S630 WeakPolarHBondContact CA-O 3.47Å; Y558-S630 PolarHBondContact N-O 3.18Å; Y558-S630 PolarHBondContact O-N 2.6Å; Y558-S630 VanDerWaalsContact O-O 3.11Å; Y558-S630 PolarHBondContact O-OG 3.05Å; S630-W632 PolarHBondContact OG-NE1 3.32Å; S630-W632 VanDerWaalsContact OG-NE1 3.1Å |
| 631 | Q | 92.4 | Very high | 91.6 | Very high | 100 Ų | 100 | 17.2 Ų | 17.2 | 47% | 0.467 | 9% | 0.089 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 119.8 | 179.8 | -64.8 | -178 | 25.7 | 0 | 0 | 111.2 | R555 R556 K557 | R555-Q631 HydrophobicContact CB-CB 4.19Å; R555-Q631 WeakPolarHBondContact CD-O 3.34Å; R556-Q631 VanDerWaalsContact O-CA 3.29Å; R556-Q631 WeakPolarHBondContact O-CA 3.4Å; K557-Q631 HydrophobicContact CG-CG 4.03Å |
| 632 | W | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155.1 | -175.8 | -53.7 | 109.1 | 0 | 0 | 0 | 110.9 | R555 R556 Y558 I584 H587 S630 I758 P759 F829 | R555-W632 CarbonylContact C-O 3.6Å; R555-W632 VanDerWaalsContact CA-O 3.26Å; R555-W632 WeakPolarHBondContact CA-O 3.39Å; R556-W632 PolarHBondContact N-O 2.86Å; R556-W632 PolarHBondContact O-N 3.08Å; R556-W632 VanDerWaalsContact O-N 3.07Å; Y558-W632 HydrophobicContact CD2-CB 3.97Å; Y558-W632 AromaticContact CD2-CD1 3.98Å; Y558-W632 HydrophobicContact CD2-CG 4.41Å; Y558-W632 HydrophobicContact CE2-CB 4.01Å; I584-W632 HydrophobicContact CG1-CZ2 4.16Å; I584-W632 HydrophobicContact CG2-CZ2 4.5Å; H587-W632 AromaticContact CD2-CZ2 3.95Å; S630-W632 PolarHBondContact OG-NE1 3.32Å; S630-W632 VanDerWaalsContact OG-NE1 3.1Å; W632-I758 HydrophobicContact CB-CD1 4.25Å; W632-I758 HydrophobicContact CB-CG1 4.08Å; W632-I758 HydrophobicContact CG-CG1 4.39Å; W632-I758 HydrophobicContact CG-CG2 4.27Å; W632-P759 HydrophobicContact CE3-CG 4.49Å; W632-P759 HydrophobicContact CH2-CG 3.57Å; W632-P759 HydrophobicContact CZ2-CG 4.04Å; W632-P759 HydrophobicContact CZ3-CG 3.81Å; W632-F829 AromaticContact CD1-CZ 3.86Å |
| 633 | E | 93.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 2% | 0.019 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 137.8 | 163.5 | 60.7 | -67 | 157.6 | 0 | 0 | 111.9 | R520 I635 I699 S757 | R520-E633 IonicContact CZ-OE1 2.71Å; R520-E633 IonicContact CZ-OE2 3.92Å; R520-E633 VanDerWaalsContact CZ-OE2 3.28Å; R520-E633 IonicContact NH1-OE1 2.65Å; R520-E633 PolarHBondContact NH1-OE1 2.94Å; R520-E633 IonicContact NH1-OE2 2.74Å; R520-E633 PolarHBondContact NH1-OE2 3.38Å; R520-E633 IonicContact NH2-OE2 3.42Å; R520-E633 PolarHBondContact NH2-OE2 2.58Å; E633-I635 HydrophobicContact CG-CG2 4.1Å; E633-I635 PolarHBondContact O-N 2.63Å; E633-I699 HydrophobicContact CB-CG2 3.62Å; E633-S757 VanDerWaalsContact CG-OG 3.29Å; E633-S757 WeakPolarHBondContact CG-OG 3.48Å; E633-S757 WeakPolarHBondContact OE1-CB 3.43Å; E633-S757 PolarHBondContact OE1-OG 2.97Å |
| 634 | D | 93.4 | Very high | 94 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 2% | 0.016 | 5% | 0.053 | C | C | . | . | trans | -86.6 | 97.9 | 179.6 | -174.7 | -13 | 0 | 0 | 0 | 110.1 | R556 S636 N698 I699 | R556-D634 WeakPolarHBondContact CD-OD2 3.31Å; R556-D634 HydrophobicContact CG-CB 4.02Å; R556-D634 IonicContact CZ-OD2 3.17Å; R556-D634 IonicContact NE-OD2 2.78Å; R556-D634 IonicContact NH1-OD2 2.83Å; R556-D634 PolarHBondContact NH1-OD2 3.03Å; D634-S636 VanDerWaalsContact OD1-CB 3.26Å; D634-S636 WeakPolarHBondContact OD1-CB 3.31Å; D634-S636 PolarHBondContact OD1-N 3.22Å; D634-S636 VanDerWaalsContact OD1-N 3.11Å; D634-S636 PolarHBondContact OD1-OG 3.09Å; D634-N698 VanDerWaalsContact CG-ND2 3.28Å; D634-N698 WeakPolarHBondContact O-CA 3.43Å; D634-N698 WeakPolarHBondContact O-CB 3.33Å; D634-N698 PolarHBondContact OD1-ND2 2.73Å; D634-N698 PolarHBondContact OD2-ND2 3.2Å; D634-I699 PolarHBondContact O-N 3.17Å; D634-I699 VanDerWaalsContact O-N 3.11Å | ||
| 635 | I | 94.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -105.9 | 26.4 | 175.4 | 56.5 | 157.3 | 0 | 0 | 0 | 112.5 | E633 F637 R638 L639 I699 S757 I758 | E633-I635 HydrophobicContact CG-CG2 4.1Å; E633-I635 PolarHBondContact O-N 2.63Å; I635-F637 PolarHBondContact O-N 3.16Å; I635-F637 VanDerWaalsContact O-N 3.08Å; I635-R638 HydrophobicContact CB-CG 4.37Å; I635-R638 WeakPolarHBondContact O-CB 3.46Å; I635-R638 PolarHBondContact O-N 3.37Å; I635-L639 HydrophobicContact CD1-CD1 3.91Å; I635-L639 HydrophobicContact CD1-CD2 3.78Å; I635-L639 HydrophobicContact CD1-CG 3.82Å; I635-L639 HydrophobicContact CG1-CD1 4Å; I635-L639 HydrophobicContact CG1-CG 4.04Å; I635-L639 PolarHBondContact O-N 3.09Å; I635-I699 HydrophobicContact CG2-CD1 3.49Å; I635-I699 VanDerWaalsContact CG2-CD1 3.49Å; I635-I699 HydrophobicContact CG2-CG1 3.88Å; I635-S757 WeakPolarHBondContact CD1-OG 3.39Å; I635-I758 HydrophobicContact CD1-CD1 4.38Å; I635-I758 HydrophobicContact CD1-CG1 4.1Å; I635-I758 HydrophobicContact CG1-CD1 3.98Å; I635-I758 HydrophobicContact CG1-CG1 4.1Å | ||
| 636 | S | 91.1 | Very high | 94.4 | Very high | 19 Ų | 19 | 11.8 Ų | 11.8 | 13% | 0.133 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -56 | -31.4 | -173.1 | -55.7 | 0 | 0 | 0 | 0 | 113.2 | D634 R638 L639 G640 | D634-S636 VanDerWaalsContact OD1-CB 3.26Å; D634-S636 WeakPolarHBondContact OD1-CB 3.31Å; D634-S636 PolarHBondContact OD1-N 3.22Å; D634-S636 VanDerWaalsContact OD1-N 3.11Å; D634-S636 PolarHBondContact OD1-OG 3.09Å; S636-R638 VanDerWaalsContact C-N 3.32Å; S636-R638 PolarHBondContact O-N 2.91Å; S636-L639 PolarHBondContact O-N 3.29Å; S636-G640 PolarHBondContact O-N 2.83Å |
| 637 | F | 93.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 14.3 Ų | 14.3 | 8% | 0.083 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.3 | -30.9 | 175.5 | 73 | -88.3 | 0 | 0 | 0 | 113.9 | I635 P692 W694 N698 I699 D705 | I635-F637 PolarHBondContact O-N 3.16Å; I635-F637 VanDerWaalsContact O-N 3.08Å; F637-P692 HydrophobicContact CB-CB 4.27Å; F637-W694 AromaticContact CE1-CD1 3.99Å; F637-N698 HydrophobicContact CD1-CB 4.01Å; F637-N698 HydrophobicContact CE1-CB 4.24Å; F637-I699 HydrophobicContact CE1-CG1 4.44Å; F637-D705 HydrophobicContact CE2-CB 3.99Å; F637-D705 HydrophobicContact CZ-CB 4.47Å |
| 638 | R | 95.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.011 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -74.9 | -51.6 | 174 | -57 | -177.9 | -177.9 | 162.1 | -2.7 | 110.6 | S486 I635 S636 G640 A641 V642 N702 D705 E753 Q755 | S486-R638 PolarHBondContact OG-NH1 3.17Å; I635-R638 HydrophobicContact CB-CG 4.37Å; I635-R638 WeakPolarHBondContact O-CB 3.46Å; I635-R638 PolarHBondContact O-N 3.37Å; S636-R638 VanDerWaalsContact C-N 3.32Å; S636-R638 PolarHBondContact O-N 2.91Å; R638-G640 VanDerWaalsContact C-N 3.34Å; R638-G640 PolarHBondContact O-N 3.41Å; R638-A641 WeakPolarHBondContact O-CB 3.1Å; R638-A641 PolarHBondContact O-N 3.06Å; R638-A641 VanDerWaalsContact O-N 3.13Å; R638-V642 PolarHBondContact O-N 2.81Å; R638-V642 VanDerWaalsContact O-N 3.14Å; R638-N702 PolarHBondContact NH2-ND2 2.98Å; R638-D705 IonicContact CZ-OD1 3.31Å; R638-D705 VanDerWaalsContact CZ-OD1 3.27Å; R638-D705 IonicContact CZ-OD2 2.93Å; R638-D705 IonicContact NE-OD1 2.79Å; R638-D705 PolarHBondContact NE-OD1 3.43Å; R638-D705 IonicContact NE-OD2 3.76Å; R638-D705 IonicContact NH2-OD1 2.92Å; R638-D705 PolarHBondContact NH2-OD1 2.87Å; R638-D705 VanDerWaalsContact NH2-OD1 3.14Å; R638-D705 IonicContact NH2-OD2 2.69Å; R638-D705 PolarHBondContact NH2-OD2 2.93Å; R638-E753 HydrophobicContact CB-CG 4.4Å; R638-Q755 VanDerWaalsContact NH1-CB 3.3Å; R638-Q755 PolarHBondContact NH1-O 2.92Å |
| 639 | L | 95 | Very high | 95 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.4 | -34.7 | -173.6 | -55.2 | -171.4 | 0 | 0 | 0 | 111.9 | I635 S636 A641 V642 N643 M756 I758 H780 L783 | I635-L639 HydrophobicContact CD1-CD1 3.91Å; I635-L639 HydrophobicContact CD1-CD2 3.78Å; I635-L639 HydrophobicContact CD1-CG 3.82Å; I635-L639 HydrophobicContact CG1-CD1 4Å; I635-L639 HydrophobicContact CG1-CG 4.04Å; I635-L639 PolarHBondContact O-N 3.09Å; S636-L639 PolarHBondContact O-N 3.29Å; L639-A641 VanDerWaalsContact C-N 3.32Å; L639-A641 PolarHBondContact O-N 3.04Å; L639-V642 PolarHBondContact O-N 3.43Å; L639-N643 WeakPolarHBondContact O-CB 3.37Å; L639-N643 VanDerWaalsContact O-CG 3.26Å; L639-N643 PolarHBondContact O-N 3.35Å; L639-N643 PolarHBondContact O-ND2 3.47Å; L639-M756 HydrophobicContact CD2-CE 3.81Å; L639-M756 HydrophobicContact CD2-SD 3.27Å; L639-M756 WeakPolarHBondContact CD2-SD 3.48Å; L639-I758 HydrophobicContact CD1-CD1 4.04Å; L639-H780 HydrophobicContact CB-CB 4.35Å; L639-H780 HydrophobicContact CD2-CB 4.29Å; L639-L783 HydrophobicContact CB-CD2 3.52Å; L639-L783 HydrophobicContact CD1-CD2 3.73Å; L639-L783 HydrophobicContact CG-CD2 4.24Å |
| 640 | G | 95.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.4 | -34.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S636 R638 N643 L644 | S636-G640 PolarHBondContact O-N 2.83Å; R638-G640 VanDerWaalsContact C-N 3.34Å; R638-G640 PolarHBondContact O-N 3.41Å; G640-N643 PolarHBondContact O-N 2.87Å; G640-L644 WeakPolarHBondContact O-CB 3.42Å; G640-L644 PolarHBondContact O-N 2.96Å |
| 641 | A | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 3% | 0.033 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R638 L639 L645 L691 P692 | R638-A641 WeakPolarHBondContact O-CB 3.1Å; R638-A641 PolarHBondContact O-N 3.06Å; R638-A641 VanDerWaalsContact O-N 3.13Å; L639-A641 VanDerWaalsContact C-N 3.32Å; L639-A641 PolarHBondContact O-N 3.04Å; A641-L645 VanDerWaalsContact O-CG 3.3Å; A641-L645 WeakPolarHBondContact O-CG 3.33Å; A641-L645 PolarHBondContact O-N 3.18Å; A641-L645 VanDerWaalsContact O-N 3.11Å; A641-L691 HydrophobicContact CB-CD2 4.17Å; A641-P692 HydrophobicContact CB-CG 4.49Å |
| 642 | V | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.018 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.1 | -49.8 | 171.9 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | R638 L639 L644 L645 L646 A751 E753 | R638-V642 PolarHBondContact O-N 2.81Å; R638-V642 VanDerWaalsContact O-N 3.14Å; L639-V642 PolarHBondContact O-N 3.43Å; V642-L644 PolarHBondContact O-N 3.33Å; V642-L645 PolarHBondContact O-N 2.98Å; V642-L646 HydrophobicContact CG1-CD1 3.82Å; V642-L646 HydrophobicContact CG1-CG 4.24Å; V642-L646 WeakPolarHBondContact O-CG 3.24Å; V642-L646 PolarHBondContact O-N 3.16Å; V642-A751 WeakPolarHBondContact CG1-O 3.39Å; V642-A751 WeakPolarHBondContact CG2-O 3.23Å; V642-E753 HydrophobicContact CG2-CB 3.52Å; V642-E753 HydrophobicContact CG2-CG 4.22Å |
| 643 | N | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | -177.2 | -74.2 | -18.2 | 0 | 0 | 0 | 112.9 | L639 G640 L646 R647 H780 Y790 G792 | L639-N643 WeakPolarHBondContact O-CB 3.37Å; L639-N643 VanDerWaalsContact O-CG 3.26Å; L639-N643 PolarHBondContact O-N 3.35Å; L639-N643 PolarHBondContact O-ND2 3.47Å; G640-N643 PolarHBondContact O-N 2.87Å; N643-L646 PolarHBondContact O-N 2.9Å; N643-R647 WeakPolarHBondContact O-CB 3.5Å; N643-R647 PolarHBondContact O-N 2.58Å; N643-H780 PolarHBondContact ND2-O 2.94Å; N643-H780 VanDerWaalsContact ND2-O 3.14Å; N643-H780 PolarHBondContact OD1-O 2.9Å; N643-H780 VanDerWaalsContact OD1-O 3.1Å; N643-Y790 WeakPolarHBondContact CB-O 3.48Å; N643-Y790 PolarHBondContact ND2-O 2.8Å; N643-G792 WeakPolarHBondContact ND2-CA 3.46Å; N643-G792 PolarHBondContact ND2-N 3.33Å; N643-G792 VanDerWaalsContact ND2-N 3.18Å |
| 644 | L | 97.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.2 | -51.1 | 171.8 | 172.3 | 57.4 | 0 | 0 | 0 | 110.7 | G640 V642 L646 R647 I648 H689 L691 D789 Y790 | G640-L644 WeakPolarHBondContact O-CB 3.42Å; G640-L644 PolarHBondContact O-N 2.96Å; V642-L644 PolarHBondContact O-N 3.33Å; L644-L646 VanDerWaalsContact C-N 3.34Å; L644-L646 PolarHBondContact O-N 2.71Å; L644-R647 WeakPolarHBondContact O-CB 3.41Å; L644-R647 PolarHBondContact O-N 3.24Å; L644-R647 VanDerWaalsContact O-N 3.08Å; L644-I648 HydrophobicContact CD1-CD1 4.05Å; L644-I648 HydrophobicContact CD1-CG1 4.13Å; L644-I648 HydrophobicContact CG-CD1 4.22Å; L644-I648 WeakPolarHBondContact O-CG1 3.32Å; L644-I648 PolarHBondContact O-N 2.96Å; L644-H689 HydrophobicContact CD1-CB 3.83Å; L644-H689 HydrophobicContact CD2-CB 3.89Å; L644-L691 HydrophobicContact CD2-CD2 4.21Å; L644-D789 WeakPolarHBondContact CA-O 3.46Å; L644-D789 HydrophobicContact CD1-CB 4.27Å; L644-D789 PolarHBondContact N-O 2.76Å; L644-Y790 HydrophobicContact CB-CD1 4.35Å; L644-Y790 HydrophobicContact CD2-CE1 4.29Å |
| 645 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | -179.7 | -68.6 | 167.3 | 0 | 0 | 0 | 112.2 | A641 V642 R647 I648 A649 R712 L716 I747 L750 A751 | A641-L645 VanDerWaalsContact O-CG 3.3Å; A641-L645 WeakPolarHBondContact O-CG 3.33Å; A641-L645 PolarHBondContact O-N 3.18Å; A641-L645 VanDerWaalsContact O-N 3.11Å; V642-L645 PolarHBondContact O-N 2.98Å; L645-R647 VanDerWaalsContact C-N 3.31Å; L645-R647 PolarHBondContact O-N 3.14Å; L645-I648 PolarHBondContact O-N 2.84Å; L645-A649 PolarHBondContact O-N 2.8Å; L645-R712 HydrophobicContact CD1-CG 4.11Å; L645-L716 HydrophobicContact CD2-CD1 4.17Å; L645-L716 HydrophobicContact CD2-CD2 3.95Å; L645-L716 HydrophobicContact CD2-CG 4.3Å; L645-I747 HydrophobicContact CB-CG2 4.19Å; L645-I747 HydrophobicContact CD2-CD1 4.29Å; L645-I747 HydrophobicContact CD2-CG2 4.3Å; L645-I747 WeakPolarHBondContact O-CG2 3.44Å; L645-L750 HydrophobicContact CD1-CB 4.02Å; L645-L750 WeakPolarHBondContact CD1-O 3.39Å; L645-L750 HydrophobicContact CD2-CB 4.44Å; L645-A751 HydrophobicContact CB-CB 3.82Å |
| 646 | L | 97 | Very high | 95 | Very high | 41 Ų | 41 | 20 Ų | 20 | 22% | 0.215 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | 174.5 | -68.7 | 177.2 | 0 | 0 | 0 | 112.6 | V642 N643 L644 A649 D650 L748 A751 L793 | V642-L646 HydrophobicContact CG1-CD1 3.82Å; V642-L646 HydrophobicContact CG1-CG 4.24Å; V642-L646 WeakPolarHBondContact O-CG 3.24Å; V642-L646 PolarHBondContact O-N 3.16Å; N643-L646 PolarHBondContact O-N 2.9Å; L644-L646 VanDerWaalsContact C-N 3.34Å; L644-L646 PolarHBondContact O-N 2.71Å; L646-A649 PolarHBondContact O-N 2.86Å; L646-D650 PolarHBondContact O-N 3.04Å; L646-L748 HydrophobicContact CD2-CD2 4.09Å; L646-A751 HydrophobicContact CD2-CB 3.79Å; L646-A751 HydrophobicContact CG-CB 4.03Å; L646-L793 HydrophobicContact CB-CD1 4.01Å |
| 647 | R | 95.9 | Very high | 94.7 | Very high | 52 Ų | 52 | 21.2 Ų | 21.2 | 20% | 0.196 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.9 | -177.1 | 179.2 | -62.7 | -79.4 | -6.4 | 111.9 | N643 L644 L645 A649 D650 H651 E788 R791 L793 | N643-R647 WeakPolarHBondContact O-CB 3.5Å; N643-R647 PolarHBondContact O-N 2.58Å; L644-R647 WeakPolarHBondContact O-CB 3.41Å; L644-R647 PolarHBondContact O-N 3.24Å; L644-R647 VanDerWaalsContact O-N 3.08Å; L645-R647 VanDerWaalsContact C-N 3.31Å; L645-R647 PolarHBondContact O-N 3.14Å; R647-A649 VanDerWaalsContact C-N 3.29Å; R647-A649 PolarHBondContact O-N 2.98Å; R647-D650 WeakPolarHBondContact O-CB 3.05Å; R647-D650 PolarHBondContact O-N 3.19Å; R647-H651 PolarHBondContact O-CD2 2.66Å; R647-H651 VanDerWaalsContact O-CG 3.28Å; R647-H651 PolarHBondContact O-N 3.02Å; R647-E788 VanDerWaalsContact CZ-O 3.29Å; R647-E788 PolarHBondContact NE-O 3.04Å; R647-E788 PolarHBondContact NH2-O 2.86Å; R647-R791 PolarHBondContact NH2-O 2.76Å; R647-L793 HydrophobicContact CB-CD2 4.06Å; R647-L793 HydrophobicContact CG-CD2 4.31Å |
| 648 | I | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 174 | -59 | 178.5 | 0 | 0 | 0 | 110.8 | L644 L645 H651 L652 F683 D686 L716 I747 | L644-I648 HydrophobicContact CD1-CD1 4.05Å; L644-I648 HydrophobicContact CD1-CG1 4.13Å; L644-I648 HydrophobicContact CG-CD1 4.22Å; L644-I648 WeakPolarHBondContact O-CG1 3.32Å; L644-I648 PolarHBondContact O-N 2.96Å; L645-I648 PolarHBondContact O-N 2.84Å; I648-H651 PolarHBondContact O-N 3.15Å; I648-L652 PolarHBondContact O-N 2.82Å; I648-L652 VanDerWaalsContact O-N 3.09Å; I648-F683 HydrophobicContact CG2-CD2 3.61Å; I648-F683 HydrophobicContact CG2-CE2 3.57Å; I648-D686 HydrophobicContact CB-CB 4.42Å; I648-D686 HydrophobicContact CD1-CB 4.12Å; I648-D686 HydrophobicContact CG1-CB 3.82Å; I648-D686 HydrophobicContact CG2-CB 3.99Å; I648-L716 HydrophobicContact CD1-CD2 4.27Å; I648-I747 HydrophobicContact CB-CG2 4.26Å; I648-I747 HydrophobicContact CG2-CD1 4.3Å; I648-I747 HydrophobicContact CG2-CG1 4.31Å; I648-I747 HydrophobicContact CG2-CG2 4.38Å |
| 649 | A | 96.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 5% | 0.05 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L645 L646 R647 E653 I747 L748 | L645-A649 PolarHBondContact O-N 2.8Å; L646-A649 PolarHBondContact O-N 2.86Å; R647-A649 VanDerWaalsContact C-N 3.29Å; R647-A649 PolarHBondContact O-N 2.98Å; A649-E653 PolarHBondContact O-N 3.08Å; A649-I747 HydrophobicContact CB-CG2 3.99Å; A649-L748 HydrophobicContact CB-CD2 3.68Å; A649-L748 HydrophobicContact CB-CG 4Å |
| 650 | D | 94.4 | Very high | 93.3 | Very high | 62 Ų | 62 | 28.5 Ų | 28.5 | 33% | 0.332 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.9 | -46 | 173.4 | -177.2 | 80.4 | 0 | 0 | 0 | 111.4 | L646 R647 L652 E653 R654 L793 | L646-D650 PolarHBondContact O-N 3.04Å; R647-D650 WeakPolarHBondContact O-CB 3.05Å; R647-D650 PolarHBondContact O-N 3.19Å; D650-L652 VanDerWaalsContact C-N 3.35Å; D650-L652 PolarHBondContact O-N 2.79Å; D650-E653 PolarHBondContact O-N 2.78Å; D650-E653 VanDerWaalsContact O-N 3.14Å; D650-R654 WeakPolarHBondContact O-CG 3.03Å; D650-R654 PolarHBondContact O-N 2.89Å; D650-R654 IonicContact OD2-CZ 3.05Å; D650-R654 IonicContact OD2-NE 3.97Å; D650-R654 IonicContact OD2-NH1 3.42Å; D650-R654 PolarHBondContact OD2-NH1 3.3Å; D650-L793 HydrophobicContact CB-CD1 4.43Å |
| 651 | H | 94.8 | Very high | 92.3 | Very high | 28 Ų | 28 | 33.2 Ų | 33.2 | 13% | 0.13 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.5 | -49.5 | 176.1 | -68.4 | -169.5 | 0 | 0 | 0 | 111.2 | R647 I648 E653 R654 G655 E682 D686 | R647-H651 PolarHBondContact O-CD2 2.66Å; R647-H651 VanDerWaalsContact O-CG 3.28Å; R647-H651 PolarHBondContact O-N 3.02Å; I648-H651 PolarHBondContact O-N 3.15Å; H651-E653 PolarHBondContact O-N 3.36Å; H651-R654 VanDerWaalsContact CD2-CZ 3.45Å; H651-R654 PolarHBondContact CD2-NH2 2.93Å; H651-R654 PolarHBondContact NE2-NH2 2.72Å; H651-R654 PolarHBondContact O-N 3.45Å; H651-G655 PolarHBondContact O-N 2.77Å; H651-E682 IonicContact ND1-OE1 3.6Å; H651-D686 WeakPolarHBondContact CB-OD2 3.01Å; H651-D686 IonicContact CE1-OD1 2.72Å; H651-D686 IonicContact CE1-OD2 3.84Å; H651-D686 IonicContact CG-OD2 2.96Å; H651-D686 IonicContact ND1-OD1 3.54Å; H651-D686 PolarHBondContact ND1-OD1 2.85Å; H651-D686 IonicContact ND1-OD2 2.71Å; H651-D686 PolarHBondContact ND1-OD2 3.49Å |
| 652 | L | 95.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 174.1 | -79.9 | 175.8 | 0 | 0 | 0 | 113.3 | I648 D650 R654 G655 I656 F683 L740 R744 | I648-L652 PolarHBondContact O-N 2.82Å; I648-L652 VanDerWaalsContact O-N 3.09Å; D650-L652 VanDerWaalsContact C-N 3.35Å; D650-L652 PolarHBondContact O-N 2.79Å; L652-R654 VanDerWaalsContact C-N 3.33Å; L652-R654 PolarHBondContact O-N 3.5Å; L652-G655 PolarHBondContact O-N 2.91Å; L652-I656 WeakPolarHBondContact O-CB 3.48Å; L652-I656 WeakPolarHBondContact O-CD1 3.09Å; L652-I656 WeakPolarHBondContact O-CG1 3.03Å; L652-I656 PolarHBondContact O-N 3.29Å; L652-F683 HydrophobicContact CD1-CD2 3.6Å; L652-F683 HydrophobicContact CD1-CE2 3.65Å; L652-F683 HydrophobicContact CD1-CG 4.23Å; L652-F683 HydrophobicContact CD1-CZ 4.31Å; L652-F683 HydrophobicContact CD2-CB 3.81Å; L652-F683 HydrophobicContact CD2-CD1 4.49Å; L652-F683 HydrophobicContact CD2-CD2 3.95Å; L652-F683 HydrophobicContact CD2-CG 3.83Å; L652-F683 HydrophobicContact CG-CB 4.43Å; L652-F683 HydrophobicContact CG-CD2 3.8Å; L652-F683 HydrophobicContact CG-CE2 4.37Å; L652-F683 HydrophobicContact CG-CG 4.22Å; L652-L740 HydrophobicContact CD2-CD2 3.71Å; L652-R744 HydrophobicContact CB-CB 4.19Å; L652-R744 HydrophobicContact CB-CG 4.49Å; L652-R744 HydrophobicContact CD1-CB 3.94Å |
| 653 | E | 94 | Very high | 90.5 | Very high | 64 Ų | 64 | 35 Ų | 35 | 30% | 0.299 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62 | -39.7 | 178.1 | -177.7 | 69.5 | -115.9 | 0 | 0 | 111.9 | A649 D650 H651 S657 R744 | A649-E653 PolarHBondContact O-N 3.08Å; D650-E653 PolarHBondContact O-N 2.78Å; D650-E653 VanDerWaalsContact O-N 3.14Å; H651-E653 PolarHBondContact O-N 3.36Å; E653-S657 WeakPolarHBondContact O-CB 3.14Å; E653-S657 PolarHBondContact O-N 2.76Å; E653-S657 PolarHBondContact O-OG 2.82Å; E653-S657 PolarHBondContact OE1-OG 3.43Å; E653-R744 IonicContact OE2-CZ 3.29Å; E653-R744 IonicContact OE2-NE 2.65Å; E653-R744 PolarHBondContact OE2-NE 3.38Å; E653-R744 IonicContact OE2-NH2 3.72Å; E653-R744 PolarHBondContact OE2-NH2 2.85Å |
| 654 | R | 89.9 | Confident | 89 | Confident | 103 Ų | 103 | 43.1 Ų | 43.1 | 39% | 0.389 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.7 | -46.5 | 174.9 | -64 | -177.2 | -44.7 | -143.4 | 12 | 111.2 | D650 H651 L652 S657 H658 E682 | D650-R654 WeakPolarHBondContact O-CG 3.03Å; D650-R654 PolarHBondContact O-N 2.89Å; D650-R654 IonicContact OD2-CZ 3.05Å; D650-R654 IonicContact OD2-NE 3.97Å; D650-R654 IonicContact OD2-NH1 3.42Å; D650-R654 PolarHBondContact OD2-NH1 3.3Å; H651-R654 VanDerWaalsContact CD2-CZ 3.45Å; H651-R654 PolarHBondContact CD2-NH2 2.93Å; H651-R654 PolarHBondContact NE2-NH2 2.72Å; H651-R654 PolarHBondContact O-N 3.45Å; L652-R654 VanDerWaalsContact C-N 3.33Å; L652-R654 PolarHBondContact O-N 3.5Å; R654-S657 PolarHBondContact O-N 2.76Å; R654-H658 VanDerWaalsContact O-CG 3.26Å; R654-H658 PolarHBondContact O-N 2.76Å; R654-H658 PolarHBondContact O-ND1 2.82Å; R654-E682 IonicContact NH2-OE1 3.55Å |
| 655 | G | 90.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | H651 L652 S657 H658 L659 S679 | H651-G655 PolarHBondContact O-N 2.77Å; L652-G655 PolarHBondContact O-N 2.91Å; G655-S657 VanDerWaalsContact C-N 3.33Å; G655-S657 PolarHBondContact O-N 3.05Å; G655-H658 PolarHBondContact O-N 3.16Å; G655-L659 WeakPolarHBondContact O-CB 3.49Å; G655-L659 PolarHBondContact O-N 3.07Å; G655-S679 VanDerWaalsContact CA-OG 3.29Å; G655-S679 WeakPolarHBondContact CA-OG 3.4Å |
| 656 | I | 93.6 | Very high | 86.2 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 174.8 | -71.5 | 163.3 | 0 | 0 | 0 | 111 | L652 L659 M660 L737 L740 K741 R744 | L652-I656 WeakPolarHBondContact O-CB 3.48Å; L652-I656 WeakPolarHBondContact O-CD1 3.09Å; L652-I656 WeakPolarHBondContact O-CG1 3.03Å; L652-I656 PolarHBondContact O-N 3.29Å; I656-L659 PolarHBondContact O-N 2.95Å; I656-M660 HydrophobicContact CG2-CE 3.93Å; I656-M660 HydrophobicContact CG2-CG 4.41Å; I656-M660 HydrophobicContact CG2-SD 4.24Å; I656-M660 WeakPolarHBondContact O-CB 3.04Å; I656-M660 VanDerWaalsContact O-CG 3.32Å; I656-M660 WeakPolarHBondContact O-CG 2.8Å; I656-M660 PolarHBondContact O-N 2.82Å; I656-L737 HydrophobicContact CG2-CD1 4.02Å; I656-L740 HydrophobicContact CD1-CB 4.07Å; I656-L740 HydrophobicContact CG1-CB 3.84Å; I656-K741 HydrophobicContact CD1-CG 4.04Å; I656-K741 HydrophobicContact CG2-CG 4.35Å; I656-R744 HydrophobicContact CD1-CB 4.33Å |
| 657 | S | 84 | Confident | 85.2 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 178.9 | -71.2 | 0 | 0 | 0 | 0 | 112 | E653 R654 G655 L659 M660 V661 | E653-S657 WeakPolarHBondContact O-CB 3.14Å; E653-S657 PolarHBondContact O-N 2.76Å; E653-S657 PolarHBondContact O-OG 2.82Å; E653-S657 PolarHBondContact OE1-OG 3.43Å; R654-S657 PolarHBondContact O-N 2.76Å; G655-S657 VanDerWaalsContact C-N 3.33Å; G655-S657 PolarHBondContact O-N 3.05Å; S657-L659 VanDerWaalsContact C-N 3.35Å; S657-L659 PolarHBondContact O-N 3.09Å; S657-M660 PolarHBondContact O-N 3.06Å; S657-V661 WeakPolarHBondContact O-CG2 3.44Å; S657-V661 PolarHBondContact O-N 3.3Å |
| 658 | H | 84.8 | Confident | 84.6 | Confident | 114 Ų | 114 | 55.6 Ų | 55.6 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.2 | -65.4 | 155.3 | 0 | 0 | 0 | 112 | R654 G655 V661 A662 L675 | R654-H658 VanDerWaalsContact O-CG 3.26Å; R654-H658 PolarHBondContact O-N 2.76Å; R654-H658 PolarHBondContact O-ND1 2.82Å; G655-H658 PolarHBondContact O-N 3.16Å; H658-V661 PolarHBondContact O-N 2.89Å; H658-A662 WeakPolarHBondContact O-CB 3.08Å; H658-A662 PolarHBondContact O-N 2.85Å; H658-L675 HydrophobicContact CB-CD2 4.36Å |
| 659 | L | 86.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.1 | -177.9 | 57.5 | 0 | 0 | 0 | 112 | G655 I656 S657 V661 A662 I663 Q672 L675 A676 I733 L737 L740 | G655-L659 WeakPolarHBondContact O-CB 3.49Å; G655-L659 PolarHBondContact O-N 3.07Å; I656-L659 PolarHBondContact O-N 2.95Å; S657-L659 VanDerWaalsContact C-N 3.35Å; S657-L659 PolarHBondContact O-N 3.09Å; L659-V661 VanDerWaalsContact C-N 3.32Å; L659-V661 PolarHBondContact O-N 2.72Å; L659-A662 PolarHBondContact O-N 2.92Å; L659-I663 HydrophobicContact CD1-CD1 4.2Å; L659-I663 HydrophobicContact CD1-CG1 4.38Å; L659-I663 HydrophobicContact CG-CD1 3.96Å; L659-I663 VanDerWaalsContact O-CG1 3.29Å; L659-I663 WeakPolarHBondContact O-CG1 3.46Å; L659-I663 PolarHBondContact O-N 3.16Å; L659-Q672 HydrophobicContact CD1-CB 4.13Å; L659-Q672 WeakPolarHBondContact CD1-O 3.42Å; L659-L675 HydrophobicContact CD1-CB 4.34Å; L659-A676 HydrophobicContact CD1-CB 4.5Å; L659-A676 HydrophobicContact CD2-CB 3.97Å; L659-I733 HydrophobicContact CD1-CG2 4.1Å; L659-L737 HydrophobicContact CD2-CB 4.3Å; L659-L737 HydrophobicContact CD2-CD1 4.11Å; L659-L740 HydrophobicContact CD2-CD1 4.32Å |
| 660 | M | 84.1 | Confident | 83.3 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 30% | 0.3 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -35.5 | 175.9 | -72.9 | -168.9 | -53.2 | 0 | 0 | 112.8 | I656 S657 K664 L737 | I656-M660 HydrophobicContact CG2-CE 3.93Å; I656-M660 HydrophobicContact CG2-CG 4.41Å; I656-M660 HydrophobicContact CG2-SD 4.24Å; I656-M660 WeakPolarHBondContact O-CB 3.04Å; I656-M660 VanDerWaalsContact O-CG 3.32Å; I656-M660 WeakPolarHBondContact O-CG 2.8Å; I656-M660 PolarHBondContact O-N 2.82Å; S657-M660 PolarHBondContact O-N 3.06Å; M660-K664 WeakPolarHBondContact O-CB 3.44Å; M660-K664 WeakPolarHBondContact O-CG 3.35Å; M660-K664 PolarHBondContact O-N 2.86Å; M660-L737 HydrophobicContact CG-CD1 4.02Å; M660-L737 HydrophobicContact CG-CD2 4.21Å |
| 661 | V | 73.3 | Confident | 82.8 | Confident | 100 Ų | 100 | 67.9 Ų | 67.9 | 61% | 0.606 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 172.8 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | S657 H658 L659 K664 A665 | S657-V661 WeakPolarHBondContact O-CG2 3.44Å; S657-V661 PolarHBondContact O-N 3.3Å; H658-V661 PolarHBondContact O-N 2.89Å; L659-V661 VanDerWaalsContact C-N 3.32Å; L659-V661 PolarHBondContact O-N 2.72Å; V661-K664 PolarHBondContact O-N 2.84Å; V661-A665 VanDerWaalsContact O-CB 3.25Å; V661-A665 WeakPolarHBondContact O-CB 3.37Å; V661-A665 PolarHBondContact O-N 2.89Å |
| 662 | A | 77 | Confident | 82.4 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H658 L659 A665 N666 L667 Q672 L675 | H658-A662 WeakPolarHBondContact O-CB 3.08Å; H658-A662 PolarHBondContact O-N 2.85Å; L659-A662 PolarHBondContact O-N 2.92Å; A662-A665 PolarHBondContact O-N 3.48Å; A662-N666 PolarHBondContact O-N 3.45Å; A662-L667 HydrophobicContact CB-CB 4.38Å; A662-L667 HydrophobicContact CB-CD1 3.84Å; A662-L667 HydrophobicContact CB-CG 4.32Å; A662-L667 PolarHBondContact O-N 3.06Å; A662-Q672 HydrophobicContact CB-CG 4.17Å; A662-L675 HydrophobicContact CB-CD1 3.57Å |
| 663 | I | 78.6 | Confident | 82 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 23% | 0.226 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -52 | 173.7 | -67.1 | 161.8 | 0 | 0 | 0 | 110.1 | L659 A665 N666 I733 L737 | L659-I663 HydrophobicContact CD1-CD1 4.2Å; L659-I663 HydrophobicContact CD1-CG1 4.38Å; L659-I663 HydrophobicContact CG-CD1 3.96Å; L659-I663 VanDerWaalsContact O-CG1 3.29Å; L659-I663 WeakPolarHBondContact O-CG1 3.46Å; L659-I663 PolarHBondContact O-N 3.16Å; I663-A665 VanDerWaalsContact C-N 3.25Å; I663-A665 PolarHBondContact O-N 2.97Å; I663-N666 PolarHBondContact O-N 3.27Å; I663-I733 HydrophobicContact CD1-CG2 3.9Å; I663-I733 HydrophobicContact CG1-CG2 4.26Å; I663-L737 HydrophobicContact CD1-CD2 3.95Å |
| 664 | K | 66.3 | Low | 81.8 | Confident | 171 Ų | 171 | 71.7 Ų | 71.7 | 74% | 0.743 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.3 | -32.2 | 179.1 | -77.3 | 178.6 | 176.7 | -179.5 | 0 | 113.4 | M660 V661 N666 | M660-K664 WeakPolarHBondContact O-CB 3.44Å; M660-K664 WeakPolarHBondContact O-CG 3.35Å; M660-K664 PolarHBondContact O-N 2.86Å; V661-K664 PolarHBondContact O-N 2.84Å; K664-N666 VanDerWaalsContact C-N 3.26Å |
| 665 | A | 65.2 | Low | 81.8 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 50% | 0.496 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V661 A662 I663 L667 | V661-A665 VanDerWaalsContact O-CB 3.25Å; V661-A665 WeakPolarHBondContact O-CB 3.37Å; V661-A665 PolarHBondContact O-N 2.89Å; A662-A665 PolarHBondContact O-N 3.48Å; I663-A665 VanDerWaalsContact C-N 3.25Å; I663-A665 PolarHBondContact O-N 2.97Å; A665-L667 HydrophobicContact CB-CD2 4.21Å; A665-L667 HydrophobicContact CB-CG 4.06Å; A665-L667 PolarHBondContact O-N 3Å |
| 666 | N | 70.8 | Confident | 81.7 | Confident | 142 Ų | 142 | 69.3 Ų | 69.3 | 76% | 0.759 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 40.5 | -175 | -70.3 | -51.7 | 0 | 0 | 0 | 112.9 | A662 I663 K664 | A662-N666 PolarHBondContact O-N 3.45Å; I663-N666 PolarHBondContact O-N 3.27Å; K664-N666 VanDerWaalsContact C-N 3.26Å |
| 667 | L | 77 | Confident | 81.7 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | trans | -62.4 | 156.6 | 174.7 | -63.7 | -171.5 | 0 | 0 | 0 | 110.5 | A662 A665 I669 T671 Q672 | A662-L667 HydrophobicContact CB-CB 4.38Å; A662-L667 HydrophobicContact CB-CD1 3.84Å; A662-L667 HydrophobicContact CB-CG 4.32Å; A662-L667 PolarHBondContact O-N 3.06Å; A665-L667 HydrophobicContact CB-CD2 4.21Å; A665-L667 HydrophobicContact CB-CG 4.06Å; A665-L667 PolarHBondContact O-N 3Å; L667-I669 PolarHBondContact O-N 3.45Å; L667-T671 HydrophobicContact CD1-CG2 4.4Å; L667-Q672 PolarHBondContact O-NE2 3.37Å | ||
| 668 | P | 81.7 | Confident | 82 | Confident | 81 Ų | 81 | 74 Ų | 74 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | trans | -50.4 | 138.9 | 178.7 | -28 | 35.8 | 0 | 0 | 0 | 112.4 | E670 T671 Q672 | P668-E670 PolarHBondContact O-N 2.84Å; P668-E670 VanDerWaalsContact O-N 3.11Å; P668-T671 WeakPolarHBondContact O-CA 3.38Å; P668-T671 WeakPolarHBondContact O-CB 3.38Å; P668-T671 PolarHBondContact O-N 3.06Å; P668-Q672 PolarHBondContact O-N 3.07Å; P668-Q672 VanDerWaalsContact O-N 3.11Å | ||
| 669 | I | 83.1 | Confident | 82.5 | Confident | 127 Ų | 127 | 69 Ų | 69 | 65% | 0.651 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -53.4 | -35.5 | -179.1 | -68.1 | 169 | 0 | 0 | 0 | 111.1 | L667 T671 Q672 A673 I733 | L667-I669 PolarHBondContact O-N 3.45Å; I669-T671 VanDerWaalsContact C-N 3.35Å; I669-T671 PolarHBondContact O-N 3.03Å; I669-Q672 PolarHBondContact O-N 3.41Å; I669-A673 WeakPolarHBondContact O-CB 3.24Å; I669-A673 PolarHBondContact O-N 2.87Å; I669-I733 HydrophobicContact CG2-CD1 3.94Å |
| 670 | E | 85.5 | Confident | 83 | Confident | 151 Ų | 151 | 69.2 Ų | 69.2 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.4 | -42.3 | 173.6 | -61.9 | 174.8 | -174.9 | 0 | 0 | 112.9 | P668 Q674 | P668-E670 PolarHBondContact O-N 2.84Å; P668-E670 VanDerWaalsContact O-N 3.11Å; E670-Q674 WeakPolarHBondContact O-CB 3.43Å; E670-Q674 WeakPolarHBondContact O-CG 3.25Å; E670-Q674 PolarHBondContact O-N 2.88Å |
| 671 | T | 83.6 | Confident | 83.5 | Confident | 50 Ų | 50 | 69 Ų | 69 | 31% | 0.307 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.1 | -39.8 | 177.5 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | L667 P668 I669 Q674 L675 | L667-T671 HydrophobicContact CD1-CG2 4.4Å; P668-T671 WeakPolarHBondContact O-CA 3.38Å; P668-T671 WeakPolarHBondContact O-CB 3.38Å; P668-T671 PolarHBondContact O-N 3.06Å; I669-T671 VanDerWaalsContact C-N 3.35Å; I669-T671 PolarHBondContact O-N 3.03Å; T671-Q674 PolarHBondContact O-N 2.69Å; T671-L675 WeakPolarHBondContact O-CG 3.44Å; T671-L675 PolarHBondContact O-N 3.32Å |
| 672 | Q | 86.2 | Confident | 84.6 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.1 | -59.7 | -176 | 25.4 | 0 | 0 | 110.9 | L659 A662 L667 P668 I669 L675 A676 I733 | L659-Q672 HydrophobicContact CD1-CB 4.13Å; L659-Q672 WeakPolarHBondContact CD1-O 3.42Å; A662-Q672 HydrophobicContact CB-CG 4.17Å; L667-Q672 PolarHBondContact O-NE2 3.37Å; P668-Q672 PolarHBondContact O-N 3.07Å; P668-Q672 VanDerWaalsContact O-N 3.11Å; I669-Q672 PolarHBondContact O-N 3.41Å; Q672-L675 PolarHBondContact O-N 3.49Å; Q672-A676 PolarHBondContact O-N 2.95Å; Q672-I733 HydrophobicContact CB-CD1 3.66Å |
| 673 | A | 86.9 | Confident | 85.5 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | I669 L675 A676 I677 | I669-A673 WeakPolarHBondContact O-CB 3.24Å; I669-A673 PolarHBondContact O-N 2.87Å; A673-L675 PolarHBondContact O-N 3.06Å; A673-A676 PolarHBondContact O-N 2.88Å; A673-I677 WeakPolarHBondContact O-CB 3.47Å; A673-I677 VanDerWaalsContact O-CG1 3.26Å; A673-I677 WeakPolarHBondContact O-CG1 3.11Å; A673-I677 PolarHBondContact O-N 2.59Å |
| 674 | Q | 89.8 | Confident | 86.4 | Confident | 124 Ų | 124 | 66.6 Ų | 66.6 | 58% | 0.579 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 174.3 | -77.7 | 168.1 | 8.1 | 0 | 0 | 112.6 | E670 T671 S678 | E670-Q674 WeakPolarHBondContact O-CB 3.43Å; E670-Q674 WeakPolarHBondContact O-CG 3.25Å; E670-Q674 PolarHBondContact O-N 2.88Å; T671-Q674 PolarHBondContact O-N 2.69Å; Q674-S678 VanDerWaalsContact O-CB 3.29Å; Q674-S678 WeakPolarHBondContact O-CB 3.43Å; Q674-S678 PolarHBondContact O-N 3.43Å |
| 675 | L | 88.6 | Confident | 87.7 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 175.7 | -71.3 | 170.3 | 0 | 0 | 0 | 112.1 | H658 L659 A662 T671 Q672 A673 S678 S679 | H658-L675 HydrophobicContact CB-CD2 4.36Å; L659-L675 HydrophobicContact CD1-CB 4.34Å; A662-L675 HydrophobicContact CB-CD1 3.57Å; T671-L675 WeakPolarHBondContact O-CG 3.44Å; T671-L675 PolarHBondContact O-N 3.32Å; Q672-L675 PolarHBondContact O-N 3.49Å; A673-L675 PolarHBondContact O-N 3.06Å; L675-S678 PolarHBondContact O-N 3.38Å; L675-S679 WeakPolarHBondContact O-CB 3.43Å; L675-S679 PolarHBondContact O-N 3.36Å; L675-S679 PolarHBondContact O-OG 3.07Å |
| 676 | A | 90.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 5% | 0.05 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L659 Q672 A673 S679 L680 | L659-A676 HydrophobicContact CD1-CB 4.5Å; L659-A676 HydrophobicContact CD2-CB 3.97Å; Q672-A676 PolarHBondContact O-N 2.95Å; A673-A676 PolarHBondContact O-N 2.88Å; A676-S679 PolarHBondContact O-N 3.16Å; A676-L680 WeakPolarHBondContact O-CG 3.17Å; A676-L680 PolarHBondContact O-N 3.05Å |
| 677 | I | 91.8 | Very high | 90.2 | Very high | 74 Ų | 74 | 56 Ų | 56 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 176.7 | -67.9 | 164.6 | 0 | 0 | 0 | 110.7 | A673 S679 L680 D681 | A673-I677 WeakPolarHBondContact O-CB 3.47Å; A673-I677 VanDerWaalsContact O-CG1 3.26Å; A673-I677 WeakPolarHBondContact O-CG1 3.11Å; A673-I677 PolarHBondContact O-N 2.59Å; I677-S679 VanDerWaalsContact C-N 3.29Å; I677-S679 PolarHBondContact O-N 3.23Å; I677-L680 PolarHBondContact O-N 2.82Å; I677-D681 WeakPolarHBondContact CG2-OD2 3.44Å; I677-D681 WeakPolarHBondContact O-CB 3.31Å; I677-D681 PolarHBondContact O-N 2.91Å |
| 678 | S | 92.1 | Very high | 91 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 51% | 0.51 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -38 | 177.5 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | Q674 L675 E682 | Q674-S678 VanDerWaalsContact O-CB 3.29Å; Q674-S678 WeakPolarHBondContact O-CB 3.43Å; Q674-S678 PolarHBondContact O-N 3.43Å; L675-S678 PolarHBondContact O-N 3.38Å; S678-E682 WeakPolarHBondContact O-CB 3.25Å; S678-E682 PolarHBondContact O-N 2.75Å |
| 679 | S | 94.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | G655 L675 A676 I677 F683 | G655-S679 VanDerWaalsContact CA-OG 3.29Å; G655-S679 WeakPolarHBondContact CA-OG 3.4Å; L675-S679 WeakPolarHBondContact O-CB 3.43Å; L675-S679 PolarHBondContact O-N 3.36Å; L675-S679 PolarHBondContact O-OG 3.07Å; A676-S679 PolarHBondContact O-N 3.16Å; I677-S679 VanDerWaalsContact C-N 3.29Å; I677-S679 PolarHBondContact O-N 3.23Å; S679-F683 WeakPolarHBondContact O-CB 3.46Å; S679-F683 PolarHBondContact O-N 3.47Å; S679-F683 VanDerWaalsContact O-N 3.08Å |
| 680 | L | 95.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 173.2 | -72.5 | 167 | 0 | 0 | 0 | 111.7 | A676 I677 F683 I684 A723 T726 R727 L740 Y743 | A676-L680 WeakPolarHBondContact O-CG 3.17Å; A676-L680 PolarHBondContact O-N 3.05Å; I677-L680 PolarHBondContact O-N 2.82Å; L680-F683 PolarHBondContact O-N 3.28Å; L680-I684 WeakPolarHBondContact O-CB 3.46Å; L680-I684 WeakPolarHBondContact O-CD1 3.37Å; L680-I684 WeakPolarHBondContact O-CG1 3.31Å; L680-I684 PolarHBondContact O-N 2.92Å; L680-A723 HydrophobicContact CD2-CB 4.35Å; L680-T726 HydrophobicContact CD1-CG2 4.25Å; L680-T726 HydrophobicContact CD2-CG2 4.2Å; L680-R727 HydrophobicContact CB-CB 4.49Å; L680-R727 HydrophobicContact CD1-CB 4.03Å; L680-R727 HydrophobicContact CD1-CG 4.4Å; L680-L740 HydrophobicContact CD2-CD2 3.75Å; L680-L740 HydrophobicContact CD2-CG 4.36Å; L680-L740 HydrophobicContact CG-CD2 4.09Å; L680-Y743 HydrophobicContact CD2-CE2 4.15Å |
| 681 | D | 95.7 | Very high | 92.3 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.4 | -80.5 | -31.9 | 0 | 0 | 0 | 111.8 | I677 I684 M685 R727 | I677-D681 WeakPolarHBondContact CG2-OD2 3.44Å; I677-D681 WeakPolarHBondContact O-CB 3.31Å; I677-D681 PolarHBondContact O-N 2.91Å; D681-I684 PolarHBondContact O-N 3.39Å; D681-M685 WeakPolarHBondContact O-CG 2.9Å; D681-M685 PolarHBondContact O-N 2.87Å; D681-R727 IonicContact OD1-CZ 3.62Å; D681-R727 VanDerWaalsContact OD1-CZ 3.31Å; D681-R727 IonicContact OD1-NE 3.09Å; D681-R727 PolarHBondContact OD1-NE 2.93Å; D681-R727 IonicContact OD1-NH2 2.69Å; D681-R727 PolarHBondContact OD1-NH2 2.8Å; D681-R727 IonicContact OD2-CZ 2.72Å; D681-R727 IonicContact OD2-NE 3.37Å; D681-R727 PolarHBondContact OD2-NE 3.17Å; D681-R727 IonicContact OD2-NH2 2.59Å; D681-R727 PolarHBondContact OD2-NH2 3.28Å |
| 682 | E | 95.9 | Very high | 92.7 | Very high | 71 Ų | 71 | 46 Ų | 46 | 33% | 0.332 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 172.9 | -170.7 | 172.6 | -154.2 | 0 | 0 | 110.7 | H651 R654 S678 I684 M685 D686 | H651-E682 IonicContact ND1-OE1 3.6Å; R654-E682 IonicContact NH2-OE1 3.55Å; S678-E682 WeakPolarHBondContact O-CB 3.25Å; S678-E682 PolarHBondContact O-N 2.75Å; E682-I684 PolarHBondContact O-N 3.01Å; E682-M685 WeakPolarHBondContact O-CB 3.43Å; E682-M685 PolarHBondContact O-N 2.97Å; E682-D686 WeakPolarHBondContact O-CB 3.44Å; E682-D686 PolarHBondContact O-N 3.2Å |
| 683 | F | 97.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.9 | -178.4 | -120.1 | 0 | 0 | 0 | 113.9 | I648 L652 S679 L680 M685 D686 C687 L719 A723 Y743 I747 | I648-F683 HydrophobicContact CG2-CD2 3.61Å; I648-F683 HydrophobicContact CG2-CE2 3.57Å; L652-F683 HydrophobicContact CD1-CD2 3.6Å; L652-F683 HydrophobicContact CD1-CE2 3.65Å; L652-F683 HydrophobicContact CD1-CG 4.23Å; L652-F683 HydrophobicContact CD1-CZ 4.31Å; L652-F683 HydrophobicContact CD2-CB 3.81Å; L652-F683 HydrophobicContact CD2-CD1 4.49Å; L652-F683 HydrophobicContact CD2-CD2 3.95Å; L652-F683 HydrophobicContact CD2-CG 3.83Å; L652-F683 HydrophobicContact CG-CB 4.43Å; L652-F683 HydrophobicContact CG-CD2 3.8Å; L652-F683 HydrophobicContact CG-CE2 4.37Å; L652-F683 HydrophobicContact CG-CG 4.22Å; S679-F683 WeakPolarHBondContact O-CB 3.46Å; S679-F683 PolarHBondContact O-N 3.47Å; S679-F683 VanDerWaalsContact O-N 3.08Å; L680-F683 PolarHBondContact O-N 3.28Å; F683-M685 VanDerWaalsContact C-N 3.28Å; F683-M685 PolarHBondContact O-N 3.03Å; F683-D686 PolarHBondContact O-N 2.84Å; F683-C687 PolarHBondContact O-N 2.85Å; F683-C687 PolarHBondContact O-SG 3.06Å; F683-L719 HydrophobicContact CE1-CB 4.27Å; F683-L719 HydrophobicContact CZ-CB 4Å; F683-L719 HydrophobicContact CZ-CD1 4.41Å; F683-A723 HydrophobicContact CD1-CB 3.73Å; F683-A723 HydrophobicContact CE1-CB 3.97Å; F683-Y743 AromaticContact CD1-CD2 3.86Å; F683-Y743 HydrophobicContact CD1-CD2 3.86Å; F683-Y743 HydrophobicContact CD1-CG 4.45Å; F683-Y743 AromaticContact CE1-CD2 3.57Å; F683-Y743 HydrophobicContact CE1-CD2 3.57Å; F683-Y743 HydrophobicContact CE1-CE2 4.43Å; F683-Y743 AromaticContact CE1-CG 3.74Å; F683-Y743 HydrophobicContact CE1-CG 3.74Å; F683-Y743 HydrophobicContact CZ-CD2 4.46Å; F683-Y743 HydrophobicContact CZ-CG 4.25Å; F683-I747 HydrophobicContact CE2-CD1 4.1Å; F683-I747 HydrophobicContact CE2-CG1 3.95Å; F683-I747 HydrophobicContact CZ-CD1 4.37Å; F683-I747 HydrophobicContact CZ-CG1 4.28Å |
| 684 | I | 96.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 175.4 | -71.4 | 161.2 | 0 | 0 | 0 | 110.4 | L680 D681 E682 N688 R720 A723 I724 | L680-I684 WeakPolarHBondContact O-CB 3.46Å; L680-I684 WeakPolarHBondContact O-CD1 3.37Å; L680-I684 WeakPolarHBondContact O-CG1 3.31Å; L680-I684 PolarHBondContact O-N 2.92Å; D681-I684 PolarHBondContact O-N 3.39Å; E682-I684 PolarHBondContact O-N 3.01Å; I684-N688 PolarHBondContact O-ND2 3.41Å; I684-R720 HydrophobicContact CG2-CG 4.35Å; I684-A723 HydrophobicContact CD1-CB 4.2Å; I684-A723 HydrophobicContact CG1-CB 3.66Å; I684-I724 HydrophobicContact CD1-CG1 3.83Å; I684-I724 HydrophobicContact CG1-CG1 4.08Å; I684-I724 HydrophobicContact CG2-CD1 4.39Å; I684-I724 HydrophobicContact CG2-CG1 4.1Å |
| 685 | M | 94.9 | Very high | 93.1 | Very high | 131 Ų | 131 | 55 Ų | 55 | 65% | 0.645 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68 | -51.2 | 174.7 | -73.9 | -177 | 63.2 | 0 | 0 | 111.6 | D681 E682 F683 C687 N688 | D681-M685 WeakPolarHBondContact O-CG 2.9Å; D681-M685 PolarHBondContact O-N 2.87Å; E682-M685 WeakPolarHBondContact O-CB 3.43Å; E682-M685 PolarHBondContact O-N 2.97Å; F683-M685 VanDerWaalsContact C-N 3.28Å; F683-M685 PolarHBondContact O-N 3.03Å; M685-C687 VanDerWaalsContact C-N 3.28Å; M685-C687 PolarHBondContact O-N 3.09Å; M685-N688 WeakPolarHBondContact CA-ND2 3.27Å; M685-N688 WeakPolarHBondContact O-CB 3.3Å; M685-N688 PolarHBondContact O-N 2.93Å; M685-N688 PolarHBondContact O-ND2 3.24Å |
| 686 | D | 94.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.3 | -44 | 176.4 | -89.1 | -5.2 | 0 | 0 | 0 | 112.3 | I648 H651 E682 F683 N688 H689 | I648-D686 HydrophobicContact CB-CB 4.42Å; I648-D686 HydrophobicContact CD1-CB 4.12Å; I648-D686 HydrophobicContact CG1-CB 3.82Å; I648-D686 HydrophobicContact CG2-CB 3.99Å; H651-D686 WeakPolarHBondContact CB-OD2 3.01Å; H651-D686 IonicContact CE1-OD1 2.72Å; H651-D686 IonicContact CE1-OD2 3.84Å; H651-D686 IonicContact CG-OD2 2.96Å; H651-D686 IonicContact ND1-OD1 3.54Å; H651-D686 PolarHBondContact ND1-OD1 2.85Å; H651-D686 IonicContact ND1-OD2 2.71Å; H651-D686 PolarHBondContact ND1-OD2 3.49Å; E682-D686 WeakPolarHBondContact O-CB 3.44Å; E682-D686 PolarHBondContact O-N 3.2Å; F683-D686 PolarHBondContact O-N 2.84Å; D686-N688 PolarHBondContact O-N 3.24Å; D686-N688 VanDerWaalsContact O-N 3.08Å; D686-H689 WeakPolarHBondContact O-CB 3.49Å; D686-H689 PolarHBondContact O-CD2 3.42Å; D686-H689 PolarHBondContact O-N 2.97Å |
| 687 | C | 94.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -11.4 | 176.8 | -76.1 | 0 | 0 | 0 | 0 | 115.4 | F683 M685 R720 | F683-C687 PolarHBondContact O-N 2.85Å; F683-C687 PolarHBondContact O-SG 3.06Å; M685-C687 VanDerWaalsContact C-N 3.28Å; M685-C687 PolarHBondContact O-N 3.09Å; C687-R720 HydrophobicContact CB-CB 3.79Å; C687-R720 HydrophobicContact CB-CG 4.08Å |
| 688 | N | 92.7 | Very high | 92.6 | Very high | 90 Ų | 90 | 60 Ų | 60 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.2 | 173.5 | -49.7 | -79.6 | 0 | 0 | 0 | 113.3 | I684 M685 D686 T690 R720 | I684-N688 PolarHBondContact O-ND2 3.41Å; M685-N688 WeakPolarHBondContact CA-ND2 3.27Å; M685-N688 WeakPolarHBondContact O-CB 3.3Å; M685-N688 PolarHBondContact O-N 2.93Å; M685-N688 PolarHBondContact O-ND2 3.24Å; D686-N688 PolarHBondContact O-N 3.24Å; D686-N688 VanDerWaalsContact O-N 3.08Å; N688-T690 PolarHBondContact O-N 3.32Å; N688-R720 WeakPolarHBondContact OD1-CD 3.42Å; N688-R720 PolarHBondContact OD1-NE 2.86Å |
| 689 | H | 91.5 | Very high | 92.6 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -66.5 | 125.8 | 176.9 | -75.7 | -113.3 | 0 | 0 | 0 | 109.7 | L644 D686 D789 | L644-H689 HydrophobicContact CD1-CB 3.83Å; L644-H689 HydrophobicContact CD2-CB 3.89Å; D686-H689 WeakPolarHBondContact O-CB 3.49Å; D686-H689 PolarHBondContact O-CD2 3.42Å; D686-H689 PolarHBondContact O-N 2.97Å; H689-D789 IonicContact CE1-OD1 2.82Å; H689-D789 IonicContact CE1-OD2 3.38Å; H689-D789 IonicContact CG-OD2 3.37Å; H689-D789 VanDerWaalsContact ND1-CG 3.32Å; H689-D789 IonicContact ND1-OD1 3.47Å; H689-D789 PolarHBondContact ND1-OD1 2.99Å; H689-D789 IonicContact ND1-OD2 3.89Å; H689-D789 PolarHBondContact ND1-OD2 3.39Å |
| 690 | T | 91.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 58.5 Ų | 58.5 | 60% | 0.601 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 140.5 | -179.5 | 53.3 | 0 | 0 | 0 | 0 | 110.7 | N688 Y790 | N688-T690 PolarHBondContact O-N 3.32Å; T690-Y790 WeakPolarHBondContact O-CE1 3.41Å; T690-Y790 PolarHBondContact O-OH 3.25Å |
| 691 | L | 94 | Very high | 92.1 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 151.7 | 167.7 | -61 | -178.8 | 0 | 0 | 0 | 110.7 | A641 L644 Q693 R709 R712 E713 L716 | A641-L691 HydrophobicContact CB-CD2 4.17Å; L644-L691 HydrophobicContact CD2-CD2 4.21Å; L691-Q693 PolarHBondContact O-N 3.01Å; L691-R709 HydrophobicContact CD1-CG 4.05Å; L691-R712 HydrophobicContact CD1-CB 3.68Å; L691-E713 HydrophobicContact CD1-CG 3.72Å; L691-E713 HydrophobicContact CG-CG 4.28Å; L691-L716 HydrophobicContact CD2-CD1 4.27Å |
| 692 | P | 92.4 | Very high | 92 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.071 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 138.9 | 173.9 | -23.5 | 30.3 | 0 | 0 | 0 | 112.6 | F637 A641 Y790 | F637-P692 HydrophobicContact CB-CB 4.27Å; A641-P692 HydrophobicContact CB-CG 4.49Å; P692-Y790 HydrophobicContact CB-CD2 4.2Å; P692-Y790 HydrophobicContact CB-CE2 4.01Å; P692-Y790 HydrophobicContact CG-CD1 3.77Å; P692-Y790 HydrophobicContact CG-CD2 3.82Å; P692-Y790 HydrophobicContact CG-CE1 3.81Å; P692-Y790 HydrophobicContact CG-CE2 3.87Å; P692-Y790 HydrophobicContact CG-CG 3.81Å |
| 693 | Q | 89.9 | Confident | 91.8 | Very high | 145 Ų | 145 | 61 Ų | 61 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -85 | 151.7 | 173 | -62.5 | -171.8 | 10.7 | 0 | 0 | 110.7 | L691 | L691-Q693 PolarHBondContact O-N 3.01Š|
| 694 | W | 91.7 | Very high | 91.7 | Very high | 108 Ų | 108 | 60.9 Ų | 60.9 | 41% | 0.409 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 132.5 | 170.6 | 173.8 | 85.7 | 0 | 0 | 0 | 110.3 | F637 P696 I699 Q701 | F637-W694 AromaticContact CE1-CD1 3.99Å; W694-P696 HydrophobicContact CH2-CB 4.47Å; W694-P696 HydrophobicContact CZ3-CG 4.47Å; W694-I699 PolarHBondContact NE1-O 2.92Å; W694-Q701 HydrophobicContact CG-CB 4.26Å |
| 695 | E | 89.1 | Confident | 91.6 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | trans | -111.7 | 151.9 | 177.6 | -60.6 | -170.6 | 163.1 | 0 | 0 | 111.9 | E697 N698 | E695-E697 PolarHBondContact O-N 3.03Å; E695-N698 PolarHBondContact N-OD1 3.01Å; E695-N698 WeakPolarHBondContact O-CB 3.39Å; E695-N698 PolarHBondContact O-N 2.84Å; E695-N698 PolarHBondContact O-OD1 2.83Å | ||
| 696 | P | 85.9 | Confident | 91.5 | Very high | 107 Ų | 107 | 58.3 Ų | 58.3 | 70% | 0.695 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -14 | 178.7 | -24.9 | 35.1 | 0 | 0 | 0 | 116.1 | W694 | W694-P696 HydrophobicContact CH2-CB 4.47Å; W694-P696 HydrophobicContact CZ3-CG 4.47Å |
| 697 | E | 85.3 | Confident | 91.4 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -22.1 | 175.2 | -56.5 | -166.3 | 153.5 | 0 | 0 | 113.3 | R556 E695 | R556-E697 IonicContact CZ-OE2 3.53Å; R556-E697 IonicContact NH1-OE2 2.74Å; R556-E697 PolarHBondContact NH1-OE2 3.01Å; R556-E697 IonicContact NH2-OE2 2.8Å; R556-E697 PolarHBondContact NH2-OE2 3.46Å; E695-E697 PolarHBondContact O-N 3.03Å |
| 698 | N | 89.9 | Confident | 91.3 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -71.7 | 170 | 176.3 | -53.2 | 134.3 | 0 | 0 | 0 | 111 | D634 F637 E695 | D634-N698 VanDerWaalsContact CG-ND2 3.28Å; D634-N698 WeakPolarHBondContact O-CA 3.43Å; D634-N698 WeakPolarHBondContact O-CB 3.33Å; D634-N698 PolarHBondContact OD1-ND2 2.73Å; D634-N698 PolarHBondContact OD2-ND2 3.2Å; F637-N698 HydrophobicContact CD1-CB 4.01Å; F637-N698 HydrophobicContact CE1-CB 4.24Å; E695-N698 PolarHBondContact N-OD1 3.01Å; E695-N698 WeakPolarHBondContact O-CB 3.39Å; E695-N698 PolarHBondContact O-N 2.84Å; E695-N698 PolarHBondContact O-OD1 2.83Å |
| 699 | I | 91.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -62 | 153.3 | 165.5 | 59.6 | 166.8 | 0 | 0 | 0 | 111.1 | E633 D634 I635 F637 W694 Q701 | E633-I699 HydrophobicContact CB-CG2 3.62Å; D634-I699 PolarHBondContact O-N 3.17Å; D634-I699 VanDerWaalsContact O-N 3.11Å; I635-I699 HydrophobicContact CG2-CD1 3.49Å; I635-I699 VanDerWaalsContact CG2-CD1 3.49Å; I635-I699 HydrophobicContact CG2-CG1 3.88Å; F637-I699 HydrophobicContact CE1-CG1 4.44Å; W694-I699 PolarHBondContact NE1-O 2.92Å; I699-Q701 PolarHBondContact O-N 2.75Å |
| 700 | P | 90.2 | Very high | 91.2 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 131.1 | 177.1 | -22.3 | 32.7 | 0 | 0 | 0 | 111.6 | K551 N702 | K551-P700 HydrophobicContact CB-CG 3.56Å; K551-P700 HydrophobicContact CD-CG 4.36Å; P700-N702 PolarHBondContact O-N 3.22Å |
| 701 | Q | 91 | Very high | 91.1 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 34% | 0.341 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 130.6 | 172.1 | -167.9 | -180 | 11.2 | 0 | 0 | 109.9 | W694 I699 D705 I706 | W694-Q701 HydrophobicContact CG-CB 4.26Å; I699-Q701 PolarHBondContact O-N 2.75Å; Q701-D705 HydrophobicContact CG-CB 3.43Å; Q701-D705 VanDerWaalsContact CG-CB 3.43Å; Q701-I706 HydrophobicContact CG-CG1 4.05Å |
| 702 | N | 93.1 | Very high | 91 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | trans | -101.2 | 176.3 | 177 | 71.5 | 29.5 | 0 | 0 | 0 | 112.3 | G484 P485 R638 P700 M704 D705 I706 Q755 | G484-N702 WeakPolarHBondContact CA-ND2 2.4Å; G484-N702 VanDerWaalsContact O-CB 3.32Å; G484-N702 WeakPolarHBondContact O-CB 3.11Å; G484-N702 VanDerWaalsContact O-CG 3.28Å; G484-N702 PolarHBondContact O-ND2 2.89Å; P485-N702 PolarHBondContact O-ND2 3.16Å; R638-N702 PolarHBondContact NH2-ND2 2.98Å; P700-N702 PolarHBondContact O-N 3.22Å; N702-M704 VanDerWaalsContact C-N 3.32Å; N702-M704 PolarHBondContact O-N 3.1Å; N702-M704 WeakPolarHBondContact OD1-CB 3.3Å; N702-M704 PolarHBondContact OD1-N 3.3Å; N702-D705 VanDerWaalsContact CG-OD2 3.23Å; N702-D705 PolarHBondContact N-OD2 2.88Å; N702-D705 WeakPolarHBondContact O-CB 3.48Å; N702-D705 PolarHBondContact O-N 3.19Å; N702-D705 PolarHBondContact OD1-N 3.21Å; N702-D705 PolarHBondContact OD1-OD2 3.08Å; N702-D705 VanDerWaalsContact OD1-OD2 3.09Å; N702-I706 WeakPolarHBondContact O-CG1 3.28Å; N702-I706 PolarHBondContact O-N 2.96Å; N702-Q755 PolarHBondContact ND2-OE1 3.03Å; N702-Q755 PolarHBondContact OD1-NE2 3.22Å; N702-Q755 PolarHBondContact OD1-OE1 2.59Å | ||
| 703 | E | 92.1 | Very high | 91 | Very high | 100 Ų | 100 | 61.1 Ų | 61.1 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | -176 | -171.1 | -177.9 | 139 | 0 | 0 | 111.9 | T482 D705 I706 H707 | T482-E703 HydrophobicContact CG2-CB 3.96Å; T482-E703 HydrophobicContact CG2-CG 4.06Å; E703-D705 VanDerWaalsContact C-N 3.33Å; E703-D705 PolarHBondContact O-N 3.5Å; E703-I706 WeakPolarHBondContact O-CB 3.38Å; E703-I706 PolarHBondContact O-N 2.83Å; E703-H707 PolarHBondContact O-N 2.8Å; E703-H707 IonicContact OE1-CE1 3.07Å; E703-H707 PolarHBondContact OE1-CE1 3.16Å |
| 704 | M | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -36 | 176.7 | -178 | 54.9 | 175.8 | 0 | 0 | 112.4 | Q468 I469 F479 T482 N702 I706 H707 L708 P754 Q755 | Q468-M704 WeakPolarHBondContact O-CE 3.22Å; I469-M704 HydrophobicContact CB-CE 4.2Å; I469-M704 HydrophobicContact CG2-CE 4.19Å; F479-M704 HydrophobicContact CE2-CE 4.23Å; F479-M704 HydrophobicContact CE2-SD 3.56Å; F479-M704 VanDerWaalsContact CE2-SD 3.56Å; F479-M704 HydrophobicContact CZ-CE 4.39Å; F479-M704 HydrophobicContact CZ-SD 4.07Å; T482-M704 HydrophobicContact CG2-CB 4.49Å; T482-M704 VanDerWaalsContact O-SD 3.38Å; N702-M704 VanDerWaalsContact C-N 3.32Å; N702-M704 PolarHBondContact O-N 3.1Å; N702-M704 WeakPolarHBondContact OD1-CB 3.3Å; N702-M704 PolarHBondContact OD1-N 3.3Å; M704-I706 VanDerWaalsContact C-N 3.32Å; M704-I706 PolarHBondContact O-N 3.44Å; M704-H707 PolarHBondContact O-N 3.5Å; M704-L708 HydrophobicContact CE-CD1 3.76Å; M704-L708 HydrophobicContact CE-CD2 3.63Å; M704-L708 HydrophobicContact CE-CG 3.51Å; M704-L708 HydrophobicContact CG-CD1 4.32Å; M704-L708 HydrophobicContact CG-CG 4.37Å; M704-L708 WeakPolarHBondContact O-CB 3.23Å; M704-L708 WeakPolarHBondContact O-CG 3.45Å; M704-L708 PolarHBondContact O-N 3.02Å; M704-L708 HydrophobicContact SD-CD1 4.5Å; M704-L708 HydrophobicContact SD-CG 4.01Å; M704-P754 HydrophobicContact CE-CG 3.63Å; M704-Q755 HydrophobicContact CG-CG 4.2Å |
| 705 | D | 94.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -38 | 174.1 | -65.8 | -43.2 | 0 | 0 | 0 | 112.5 | F637 R638 Q701 N702 E703 R709 Q755 | F637-D705 HydrophobicContact CE2-CB 3.99Å; F637-D705 HydrophobicContact CZ-CB 4.47Å; R638-D705 IonicContact CZ-OD1 3.31Å; R638-D705 VanDerWaalsContact CZ-OD1 3.27Å; R638-D705 IonicContact CZ-OD2 2.93Å; R638-D705 IonicContact NE-OD1 2.79Å; R638-D705 PolarHBondContact NE-OD1 3.43Å; R638-D705 IonicContact NE-OD2 3.76Å; R638-D705 IonicContact NH2-OD1 2.92Å; R638-D705 PolarHBondContact NH2-OD1 2.87Å; R638-D705 VanDerWaalsContact NH2-OD1 3.14Å; R638-D705 IonicContact NH2-OD2 2.69Å; R638-D705 PolarHBondContact NH2-OD2 2.93Å; Q701-D705 HydrophobicContact CG-CB 3.43Å; Q701-D705 VanDerWaalsContact CG-CB 3.43Å; N702-D705 VanDerWaalsContact CG-OD2 3.23Å; N702-D705 PolarHBondContact N-OD2 2.88Å; N702-D705 WeakPolarHBondContact O-CB 3.48Å; N702-D705 PolarHBondContact O-N 3.19Å; N702-D705 PolarHBondContact OD1-N 3.21Å; N702-D705 PolarHBondContact OD1-OD2 3.08Å; N702-D705 VanDerWaalsContact OD1-OD2 3.09Å; E703-D705 VanDerWaalsContact C-N 3.33Å; E703-D705 PolarHBondContact O-N 3.5Å; D705-R709 VanDerWaalsContact O-CB 3.26Å; D705-R709 WeakPolarHBondContact O-CB 3.28Å; D705-R709 PolarHBondContact O-N 2.86Å; D705-R709 VanDerWaalsContact O-N 3.11Å; D705-Q755 PolarHBondContact OD1-NE2 2.85Å |
| 706 | I | 93.4 | Very high | 91 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 47% | 0.467 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.2 | -47 | 177.6 | -63.6 | 166 | 0 | 0 | 0 | 109.4 | Q701 N702 E703 M704 R709 K710 | Q701-I706 HydrophobicContact CG-CG1 4.05Å; N702-I706 WeakPolarHBondContact O-CG1 3.28Å; N702-I706 PolarHBondContact O-N 2.96Å; E703-I706 WeakPolarHBondContact O-CB 3.38Å; E703-I706 PolarHBondContact O-N 2.83Å; M704-I706 VanDerWaalsContact C-N 3.32Å; M704-I706 PolarHBondContact O-N 3.44Å; I706-R709 PolarHBondContact O-N 3.4Å; I706-K710 PolarHBondContact O-N 2.88Å; I706-K710 VanDerWaalsContact O-N 3.14Å |
| 707 | H | 91.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 46.8 Ų | 46.8 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 179.7 | -66.2 | 162.1 | 0 | 0 | 0 | 112.8 | F479 E703 M704 R709 K710 L711 | F479-H707 WeakPolarHBondContact CB-ND1 3.17Å; F479-H707 HydrophobicContact CD1-CB 3.68Å; F479-H707 AromaticContact CD1-CG 3.97Å; F479-H707 HydrophobicContact CD2-CB 3.95Å; F479-H707 AromaticContact CD2-CG 3.99Å; F479-H707 AromaticContact CD2-ND1 3.48Å; F479-H707 WeakPolarHBondContact CD2-ND1 3.14Å; F479-H707 HydrophobicContact CE1-CB 3.73Å; F479-H707 HydrophobicContact CE2-CB 3.99Å; F479-H707 HydrophobicContact CG-CB 3.8Å; F479-H707 AromaticContact CG-CG 3.7Å; F479-H707 AromaticContact CG-ND1 3.44Å; F479-H707 WeakPolarHBondContact CG-ND1 3.34Å; F479-H707 HydrophobicContact CZ-CB 3.89Å; E703-H707 PolarHBondContact O-N 2.8Å; E703-H707 IonicContact OE1-CE1 3.07Å; E703-H707 PolarHBondContact OE1-CE1 3.16Å; M704-H707 PolarHBondContact O-N 3.5Å; H707-R709 PolarHBondContact O-N 3.02Å; H707-K710 PolarHBondContact O-N 3.4Å; H707-L711 VanDerWaalsContact O-CB 3.27Å; H707-L711 WeakPolarHBondContact O-CB 3.13Å; H707-L711 PolarHBondContact O-N 2.92Å |
| 708 | L | 91.4 | Very high | 91.5 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 176.2 | -78.9 | -178.4 | 0 | 0 | 0 | 112.7 | M704 L711 R712 E753 P754 | M704-L708 HydrophobicContact CE-CD1 3.76Å; M704-L708 HydrophobicContact CE-CD2 3.63Å; M704-L708 HydrophobicContact CE-CG 3.51Å; M704-L708 HydrophobicContact CG-CD1 4.32Å; M704-L708 HydrophobicContact CG-CG 4.37Å; M704-L708 WeakPolarHBondContact O-CB 3.23Å; M704-L708 WeakPolarHBondContact O-CG 3.45Å; M704-L708 PolarHBondContact O-N 3.02Å; M704-L708 HydrophobicContact SD-CD1 4.5Å; M704-L708 HydrophobicContact SD-CG 4.01Å; L708-L711 HydrophobicContact CD2-CD2 4.27Å; L708-L711 PolarHBondContact O-N 2.83Å; L708-R712 WeakPolarHBondContact O-CB 3.5Å; L708-R712 WeakPolarHBondContact O-CG 3.44Å; L708-R712 PolarHBondContact O-N 3.2Å; L708-E753 WeakPolarHBondContact CD1-OE1 3.3Å; L708-E753 WeakPolarHBondContact CD1-OE2 3.24Å; L708-P754 HydrophobicContact CD1-CG 4.37Å |
| 709 | R | 92.6 | Very high | 91.6 | Very high | 100 Ų | 100 | 43.5 Ų | 43.5 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 178.8 | -177.4 | 176.9 | 168.2 | -135.3 | -17.3 | 110.6 | L691 D705 I706 H707 L711 R712 E713 | L691-R709 HydrophobicContact CD1-CG 4.05Å; D705-R709 VanDerWaalsContact O-CB 3.26Å; D705-R709 WeakPolarHBondContact O-CB 3.28Å; D705-R709 PolarHBondContact O-N 2.86Å; D705-R709 VanDerWaalsContact O-N 3.11Å; I706-R709 PolarHBondContact O-N 3.4Å; H707-R709 PolarHBondContact O-N 3.02Å; R709-L711 VanDerWaalsContact C-N 3.34Å; R709-L711 PolarHBondContact O-N 3.22Å; R709-R712 PolarHBondContact O-N 3.15Å; R709-E713 IonicContact CZ-OE1 2.73Å; R709-E713 IonicContact CZ-OE2 3.28Å; R709-E713 IonicContact NE-OE1 3.28Å; R709-E713 PolarHBondContact NE-OE1 3.32Å; R709-E713 IonicContact NE-OE2 2.85Å; R709-E713 IonicContact NH2-OE1 3.37Å; R709-E713 PolarHBondContact NH2-OE1 2.97Å; R709-E713 IonicContact NH2-OE2 3.9Å; R709-E713 WeakPolarHBondContact O-CG 3.44Å; R709-E713 PolarHBondContact O-N 3.09Å |
| 710 | K | 90.7 | Very high | 91.8 | Very high | 87 Ų | 87 | 46.1 Ų | 46.1 | 38% | 0.378 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 176 | -177.2 | 178 | 174.9 | 179.6 | 0 | 111.2 | D477 I706 H707 R712 E713 D714 | D477-K710 IonicContact OD1-NZ 2.66Å; D477-K710 PolarHBondContact OD1-NZ 2.8Å; D477-K710 WeakPolarHBondContact OD2-CE 3.41Å; D477-K710 IonicContact OD2-NZ 4Å; D477-K710 PolarHBondContact OD2-NZ 2.68Å; I706-K710 PolarHBondContact O-N 2.88Å; I706-K710 VanDerWaalsContact O-N 3.14Å; H707-K710 PolarHBondContact O-N 3.4Å; K710-R712 VanDerWaalsContact C-N 3.34Å; K710-R712 PolarHBondContact O-N 3Å; K710-E713 PolarHBondContact O-N 3.2Å; K710-D714 WeakPolarHBondContact O-CB 3.16Å; K710-D714 PolarHBondContact O-N 2.81Å |
| 711 | L | 88.8 | Confident | 91.9 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.1 | -46.6 | 177.9 | -177.3 | 73.3 | 0 | 0 | 0 | 112.5 | A471 H707 L708 R709 Q715 | A471-L711 HydrophobicContact CB-CD1 4.2Å; H707-L711 VanDerWaalsContact O-CB 3.27Å; H707-L711 WeakPolarHBondContact O-CB 3.13Å; H707-L711 PolarHBondContact O-N 2.92Å; L708-L711 HydrophobicContact CD2-CD2 4.27Å; L708-L711 PolarHBondContact O-N 2.83Å; R709-L711 VanDerWaalsContact C-N 3.34Å; R709-L711 PolarHBondContact O-N 3.22Å; L711-Q715 WeakPolarHBondContact O-CB 3.34Å; L711-Q715 VanDerWaalsContact O-CG 3.26Å; L711-Q715 WeakPolarHBondContact O-CG 3.38Å; L711-Q715 PolarHBondContact O-N 3.41Å; L711-Q715 VanDerWaalsContact O-N 3.17Å |
| 712 | R | 92.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -43.9 | 178.7 | -73.2 | 170.7 | 175.2 | 147 | 4.1 | 111.4 | L645 L691 L708 R709 K710 Q715 L716 L750 I752 E753 | L645-R712 HydrophobicContact CD1-CG 4.11Å; L691-R712 HydrophobicContact CD1-CB 3.68Å; L708-R712 WeakPolarHBondContact O-CB 3.5Å; L708-R712 WeakPolarHBondContact O-CG 3.44Å; L708-R712 PolarHBondContact O-N 3.2Å; R709-R712 PolarHBondContact O-N 3.15Å; K710-R712 VanDerWaalsContact C-N 3.34Å; K710-R712 PolarHBondContact O-N 3Å; R712-Q715 PolarHBondContact O-N 3.09Å; R712-L716 WeakPolarHBondContact O-CB 3.49Å; R712-L716 WeakPolarHBondContact O-CG 3.44Å; R712-L716 PolarHBondContact O-N 2.85Å; R712-L750 PolarHBondContact NE-O 3.19Å; R712-L750 PolarHBondContact NH2-O 3.07Å; R712-I752 PolarHBondContact NH2-O 3.27Å; R712-E753 IonicContact CZ-OE2 2.81Å; R712-E753 IonicContact NH1-OE2 2.66Å; R712-E753 PolarHBondContact NH1-OE2 3.41Å; R712-E753 IonicContact NH2-OE2 3.71Å; R712-E753 PolarHBondContact NH2-OE2 2.72Å |
| 713 | E | 92.7 | Very high | 91.8 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 177.4 | -71.1 | 175.2 | 171.5 | 0 | 0 | 112.2 | L691 R709 K710 Q715 L716 N717 | L691-E713 HydrophobicContact CD1-CG 3.72Å; L691-E713 HydrophobicContact CG-CG 4.28Å; R709-E713 IonicContact CZ-OE1 2.73Å; R709-E713 IonicContact CZ-OE2 3.28Å; R709-E713 IonicContact NE-OE1 3.28Å; R709-E713 PolarHBondContact NE-OE1 3.32Å; R709-E713 IonicContact NE-OE2 2.85Å; R709-E713 IonicContact NH2-OE1 3.37Å; R709-E713 PolarHBondContact NH2-OE1 2.97Å; R709-E713 IonicContact NH2-OE2 3.9Å; R709-E713 WeakPolarHBondContact O-CG 3.44Å; R709-E713 PolarHBondContact O-N 3.09Å; K710-E713 PolarHBondContact O-N 3.2Å; E713-Q715 VanDerWaalsContact C-N 3.32Å; E713-Q715 PolarHBondContact O-N 3.13Å; E713-L716 PolarHBondContact O-N 2.84Å; E713-N717 WeakPolarHBondContact O-CB 2.77Å; E713-N717 PolarHBondContact O-N 2.92Å; E713-N717 VanDerWaalsContact O-N 3.07Å; E713-N717 PolarHBondContact O-ND2 2.98Å |
| 714 | D | 88.6 | Confident | 91.9 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 177.2 | -65.1 | -21.1 | 0 | 0 | 0 | 112 | R473 K710 T718 | R473-D714 IonicContact NH1-OD2 3.86Å; R473-D714 PolarHBondContact NH1-OD2 3.25Å; K710-D714 WeakPolarHBondContact O-CB 3.16Å; K710-D714 PolarHBondContact O-N 2.81Å; D714-T718 WeakPolarHBondContact O-CB 3.23Å; D714-T718 PolarHBondContact O-N 2.78Å; D714-T718 PolarHBondContact O-OG1 3.31Å |
| 715 | Q | 88.3 | Confident | 91.8 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76.3 | -36.6 | -177.7 | -68.5 | -65.2 | -89 | 0 | 0 | 112.9 | L711 R712 E713 T718 L719 L750 | L711-Q715 WeakPolarHBondContact O-CB 3.34Å; L711-Q715 VanDerWaalsContact O-CG 3.26Å; L711-Q715 WeakPolarHBondContact O-CG 3.38Å; L711-Q715 PolarHBondContact O-N 3.41Å; L711-Q715 VanDerWaalsContact O-N 3.17Å; R712-Q715 PolarHBondContact O-N 3.09Å; E713-Q715 VanDerWaalsContact C-N 3.32Å; E713-Q715 PolarHBondContact O-N 3.13Å; Q715-T718 PolarHBondContact O-N 2.75Å; Q715-L719 WeakPolarHBondContact O-CB 3.4Å; Q715-L719 VanDerWaalsContact O-CG 3.32Å; Q715-L719 WeakPolarHBondContact O-CG 3.34Å; Q715-L719 PolarHBondContact O-N 3.23Å; Q715-L750 HydrophobicContact CB-CD1 3.69Å; Q715-L750 HydrophobicContact CB-CD2 4.02Å; Q715-L750 HydrophobicContact CG-CD2 4.1Å |
| 716 | L | 93.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 171.4 | -75.6 | 170.3 | 0 | 0 | 0 | 111.3 | L645 I648 L691 R712 E713 T718 L719 R720 I747 | L645-L716 HydrophobicContact CD2-CD1 4.17Å; L645-L716 HydrophobicContact CD2-CD2 3.95Å; L645-L716 HydrophobicContact CD2-CG 4.3Å; I648-L716 HydrophobicContact CD1-CD2 4.27Å; L691-L716 HydrophobicContact CD2-CD1 4.27Å; R712-L716 WeakPolarHBondContact O-CB 3.49Å; R712-L716 WeakPolarHBondContact O-CG 3.44Å; R712-L716 PolarHBondContact O-N 2.85Å; E713-L716 PolarHBondContact O-N 2.84Å; L716-T718 VanDerWaalsContact C-N 3.35Å; L716-T718 PolarHBondContact O-N 3.27Å; L716-L719 PolarHBondContact O-N 3.42Å; L716-R720 VanDerWaalsContact O-CB 3.32Å; L716-R720 WeakPolarHBondContact O-CB 3.44Å; L716-R720 PolarHBondContact O-N 2.81Å; L716-I747 HydrophobicContact CD2-CD1 3.64Å |
| 717 | N | 92.7 | Very high | 91.3 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 173.7 | -74 | -44.9 | 0 | 0 | 0 | 112 | E713 R720 E721 | E713-N717 WeakPolarHBondContact O-CB 2.77Å; E713-N717 PolarHBondContact O-N 2.92Å; E713-N717 VanDerWaalsContact O-N 3.07Å; E713-N717 PolarHBondContact O-ND2 2.98Å; N717-R720 PolarHBondContact O-N 2.87Å; N717-E721 PolarHBondContact O-N 3.3Å; N717-E721 VanDerWaalsContact O-N 3.14Å |
| 718 | T | 88.8 | Confident | 91.2 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 112 | D714 Q715 L716 R720 E721 Q722 | D714-T718 WeakPolarHBondContact O-CB 3.23Å; D714-T718 PolarHBondContact O-N 2.78Å; D714-T718 PolarHBondContact O-OG1 3.31Å; Q715-T718 PolarHBondContact O-N 2.75Å; L716-T718 VanDerWaalsContact C-N 3.35Å; L716-T718 PolarHBondContact O-N 3.27Å; T718-R720 VanDerWaalsContact C-N 3.34Å; T718-E721 PolarHBondContact O-N 3.44Å; T718-Q722 WeakPolarHBondContact O-CG 3.29Å; T718-Q722 PolarHBondContact O-N 3.2Å |
| 719 | L | 92.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 178.6 | -74.6 | 168.8 | 0 | 0 | 0 | 112 | F683 Q715 L716 Q722 A723 Y743 T746 I747 L750 | F683-L719 HydrophobicContact CE1-CB 4.27Å; F683-L719 HydrophobicContact CZ-CB 4Å; F683-L719 HydrophobicContact CZ-CD1 4.41Å; Q715-L719 WeakPolarHBondContact O-CB 3.4Å; Q715-L719 VanDerWaalsContact O-CG 3.32Å; Q715-L719 WeakPolarHBondContact O-CG 3.34Å; Q715-L719 PolarHBondContact O-N 3.23Å; L716-L719 PolarHBondContact O-N 3.42Å; L719-Q722 PolarHBondContact O-N 3.22Å; L719-A723 WeakPolarHBondContact O-CB 3.3Å; L719-A723 PolarHBondContact O-N 3.36Å; L719-Y743 HydrophobicContact CD2-CD1 3.73Å; L719-Y743 HydrophobicContact CD2-CE1 4.48Å; L719-Y743 HydrophobicContact CD2-CG 4.35Å; L719-T746 HydrophobicContact CD1-CG2 3.89Å; L719-T746 HydrophobicContact CD2-CG2 4.14Å; L719-T746 HydrophobicContact CG-CG2 4.41Å; L719-I747 HydrophobicContact CD1-CD1 3.64Å; L719-I747 HydrophobicContact CD1-CG1 4.11Å; L719-L750 HydrophobicContact CD1-CD1 4.37Å |
| 720 | R | 94.5 | Very high | 90.3 | Very high | 59 Ų | 59 | 56 Ų | 56 | 22% | 0.223 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 175.5 | -173 | -177.5 | 153.9 | -68.6 | -7.4 | 112 | I684 C687 N688 L716 N717 T718 Q722 A723 I724 | I684-R720 HydrophobicContact CG2-CG 4.35Å; C687-R720 HydrophobicContact CB-CB 3.79Å; C687-R720 HydrophobicContact CB-CG 4.08Å; N688-R720 WeakPolarHBondContact OD1-CD 3.42Å; N688-R720 PolarHBondContact OD1-NE 2.86Å; L716-R720 VanDerWaalsContact O-CB 3.32Å; L716-R720 WeakPolarHBondContact O-CB 3.44Å; L716-R720 PolarHBondContact O-N 2.81Å; N717-R720 PolarHBondContact O-N 2.87Å; T718-R720 VanDerWaalsContact C-N 3.34Å; R720-Q722 VanDerWaalsContact C-N 3.33Å; R720-Q722 PolarHBondContact O-N 3.1Å; R720-A723 PolarHBondContact O-N 3.11Å; R720-I724 HydrophobicContact CG-CD1 4.27Å; R720-I724 VanDerWaalsContact O-CG1 3.3Å; R720-I724 WeakPolarHBondContact O-CG1 3.43Å; R720-I724 PolarHBondContact O-N 2.78Å |
| 721 | E | 92.6 | Very high | 89.7 | Confident | 112 Ų | 112 | 57.5 Ų | 57.5 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 176.3 | -65.6 | -61.9 | 137.9 | 0 | 0 | 111.8 | N717 T718 N725 | N717-E721 PolarHBondContact O-N 3.3Å; N717-E721 VanDerWaalsContact O-N 3.14Å; T718-E721 PolarHBondContact O-N 3.44Å; E721-N725 WeakPolarHBondContact O-CB 3.09Å; E721-N725 PolarHBondContact O-N 2.82Å |
| 722 | Q | 90.1 | Very high | 89.5 | Confident | 65 Ų | 65 | 62 Ų | 62 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 172.2 | -74.4 | 173.3 | 2.1 | 0 | 0 | 112 | T718 L719 R720 N725 T726 Y743 | T718-Q722 WeakPolarHBondContact O-CG 3.29Å; T718-Q722 PolarHBondContact O-N 3.2Å; L719-Q722 PolarHBondContact O-N 3.22Å; R720-Q722 VanDerWaalsContact C-N 3.33Å; R720-Q722 PolarHBondContact O-N 3.1Å; Q722-N725 PolarHBondContact O-N 2.96Å; Q722-T726 WeakPolarHBondContact O-CB 3.13Å; Q722-T726 PolarHBondContact O-N 3.27Å; Q722-T726 PolarHBondContact O-OG1 3.01Å; Q722-T726 VanDerWaalsContact O-OG1 3.1Å; Q722-Y743 HydrophobicContact CB-CE1 4.24Å |
| 723 | A | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L680 F683 I684 L719 R720 T726 R727 Y743 | L680-A723 HydrophobicContact CD2-CB 4.35Å; F683-A723 HydrophobicContact CD1-CB 3.73Å; F683-A723 HydrophobicContact CE1-CB 3.97Å; I684-A723 HydrophobicContact CD1-CB 4.2Å; I684-A723 HydrophobicContact CG1-CB 3.66Å; L719-A723 WeakPolarHBondContact O-CB 3.3Å; L719-A723 PolarHBondContact O-N 3.36Å; R720-A723 PolarHBondContact O-N 3.11Å; A723-T726 PolarHBondContact O-N 3.12Å; A723-R727 VanDerWaalsContact O-CB 3.26Å; A723-R727 WeakPolarHBondContact O-CB 3.47Å; A723-R727 PolarHBondContact O-N 2.86Å; A723-Y743 HydrophobicContact CB-CD2 4.46Å; A723-Y743 HydrophobicContact CB-CE2 4.01Å |
| 724 | I | 94.3 | Very high | 88.8 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.7 | -50.7 | 172.1 | -68.5 | 164.6 | 0 | 0 | 0 | 110.1 | I684 R720 T726 R727 E728 | I684-I724 HydrophobicContact CD1-CG1 3.83Å; I684-I724 HydrophobicContact CG1-CG1 4.08Å; I684-I724 HydrophobicContact CG2-CD1 4.39Å; I684-I724 HydrophobicContact CG2-CG1 4.1Å; R720-I724 HydrophobicContact CG-CD1 4.27Å; R720-I724 VanDerWaalsContact O-CG1 3.3Å; R720-I724 WeakPolarHBondContact O-CG1 3.43Å; R720-I724 PolarHBondContact O-N 2.78Å; I724-T726 PolarHBondContact O-N 2.93Å; I724-R727 WeakPolarHBondContact O-CB 3.25Å; I724-R727 PolarHBondContact O-N 2.88Å; I724-E728 PolarHBondContact O-N 3.38Å; I724-E728 VanDerWaalsContact O-N 3.1Å |
| 725 | N | 90.7 | Very high | 88.6 | Confident | 87 Ų | 87 | 67.1 Ų | 67.1 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 177.8 | 176.2 | 87.1 | 0 | 0 | 0 | 112.2 | E721 Q722 R727 E728 T729 | E721-N725 WeakPolarHBondContact O-CB 3.09Å; E721-N725 PolarHBondContact O-N 2.82Å; Q722-N725 PolarHBondContact O-N 2.96Å; N725-R727 VanDerWaalsContact C-N 3.33Å; N725-R727 PolarHBondContact O-N 2.93Å; N725-E728 PolarHBondContact O-N 3.23Å; N725-E728 VanDerWaalsContact O-N 3.16Å; N725-T729 PolarHBondContact ND2-OG1 2.94Å; N725-T729 WeakPolarHBondContact O-CB 3.44Å; N725-T729 WeakPolarHBondContact O-CG2 3.36Å; N725-T729 PolarHBondContact O-N 3.05Å; N725-T729 PolarHBondContact O-OG1 2.85Å |
| 726 | T | 88.3 | Confident | 88.5 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 177.7 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | L680 Q722 A723 I724 E728 T729 V730 E739 Y743 | L680-T726 HydrophobicContact CD1-CG2 4.25Å; L680-T726 HydrophobicContact CD2-CG2 4.2Å; Q722-T726 WeakPolarHBondContact O-CB 3.13Å; Q722-T726 PolarHBondContact O-N 3.27Å; Q722-T726 PolarHBondContact O-OG1 3.01Å; Q722-T726 VanDerWaalsContact O-OG1 3.1Å; A723-T726 PolarHBondContact O-N 3.12Å; I724-T726 PolarHBondContact O-N 2.93Å; T726-E728 VanDerWaalsContact C-N 3.28Å; T726-E728 PolarHBondContact O-N 3.13Å; T726-T729 PolarHBondContact O-N 3.11Å; T726-V730 HydrophobicContact CG2-CB 4.41Å; T726-V730 HydrophobicContact CG2-CG2 3.93Å; T726-V730 WeakPolarHBondContact O-CB 3.38Å; T726-V730 PolarHBondContact O-N 2.81Å; T726-E739 HydrophobicContact CG2-CB 3.99Å; T726-E739 HydrophobicContact CG2-CG 4.2Å; T726-Y743 WeakPolarHBondContact CB-OH 3.47Å; T726-Y743 PolarHBondContact OG1-OH 2.89Å |
| 727 | R | 89.8 | Confident | 88.2 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 39% | 0.389 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -31.4 | 175.4 | -171.7 | -168 | -174.2 | -75 | 1.5 | 113.5 | L680 D681 A723 I724 N725 | L680-R727 HydrophobicContact CB-CB 4.49Å; L680-R727 HydrophobicContact CD1-CB 4.03Å; L680-R727 HydrophobicContact CD1-CG 4.4Å; D681-R727 IonicContact OD1-CZ 3.62Å; D681-R727 VanDerWaalsContact OD1-CZ 3.31Å; D681-R727 IonicContact OD1-NE 3.09Å; D681-R727 PolarHBondContact OD1-NE 2.93Å; D681-R727 IonicContact OD1-NH2 2.69Å; D681-R727 PolarHBondContact OD1-NH2 2.8Å; D681-R727 IonicContact OD2-CZ 2.72Å; D681-R727 IonicContact OD2-NE 3.37Å; D681-R727 PolarHBondContact OD2-NE 3.17Å; D681-R727 IonicContact OD2-NH2 2.59Å; D681-R727 PolarHBondContact OD2-NH2 3.28Å; A723-R727 VanDerWaalsContact O-CB 3.26Å; A723-R727 WeakPolarHBondContact O-CB 3.47Å; A723-R727 PolarHBondContact O-N 2.86Å; I724-R727 WeakPolarHBondContact O-CB 3.25Å; I724-R727 PolarHBondContact O-N 2.88Å; N725-R727 VanDerWaalsContact C-N 3.33Å; N725-R727 PolarHBondContact O-N 2.93Å |
| 728 | E | 89.1 | Confident | 87.9 | Confident | 153 Ų | 153 | 68 Ų | 68 | 72% | 0.715 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -90 | -25.8 | 179.8 | -69.9 | -174.1 | 172.6 | 0 | 0 | 114.1 | I724 N725 T726 | I724-E728 PolarHBondContact O-N 3.38Å; I724-E728 VanDerWaalsContact O-N 3.1Å; N725-E728 PolarHBondContact O-N 3.23Å; N725-E728 VanDerWaalsContact O-N 3.16Å; T726-E728 VanDerWaalsContact C-N 3.28Å; T726-E728 PolarHBondContact O-N 3.13Å |
| 729 | T | 83.1 | Confident | 87.8 | Confident | 82 Ų | 82 | 68 Ų | 68 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -114.4 | -26.7 | -168.4 | 60.7 | 0 | 0 | 0 | 0 | 115.4 | N725 T726 | N725-T729 PolarHBondContact ND2-OG1 2.94Å; N725-T729 WeakPolarHBondContact O-CB 3.44Å; N725-T729 WeakPolarHBondContact O-CG2 3.36Å; N725-T729 PolarHBondContact O-N 3.05Å; N725-T729 PolarHBondContact O-OG1 2.85Å; T726-T729 PolarHBondContact O-N 3.11Å |
| 730 | V | 81.2 | Confident | 87.8 | Confident | 48 Ų | 48 | 68 Ų | 68 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | trans | -81.3 | 126.9 | -177.4 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | T726 E732 D735 A736 | T726-V730 HydrophobicContact CG2-CB 4.41Å; T726-V730 HydrophobicContact CG2-CG2 3.93Å; T726-V730 WeakPolarHBondContact O-CB 3.38Å; T726-V730 PolarHBondContact O-N 2.81Å; V730-E732 VanDerWaalsContact CG1-O 3.28Å; V730-E732 WeakPolarHBondContact CG1-O 3.31Å; V730-D735 HydrophobicContact CG1-CB 3.72Å; V730-A736 HydrophobicContact CG1-CB 4.06Å | ||
| 731 | S | 78.8 | Confident | 87.7 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 83% | 0.825 | 35% | 0.352 | S | S | * | . | trans | -108.6 | -18.1 | -178.1 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 732 | E | 84.4 | Confident | 87.3 | Confident | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -104 | 139.1 | 177.8 | -63.8 | -168.4 | -176.7 | 0 | 0 | 111.7 | V730 D734 D735 A736 | V730-E732 VanDerWaalsContact CG1-O 3.28Å; V730-E732 WeakPolarHBondContact CG1-O 3.31Å; E732-D734 PolarHBondContact O-N 3.35Å; E732-D735 PolarHBondContact O-N 3.17Å; E732-A736 PolarHBondContact O-N 3.32Å |
| 733 | I | 85.7 | Confident | 87.5 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70 | -34.1 | -173.9 | -68.7 | 161.5 | 0 | 0 | 0 | 111.7 | L659 I663 I669 Q672 A736 L737 | L659-I733 HydrophobicContact CD1-CG2 4.1Å; I663-I733 HydrophobicContact CD1-CG2 3.9Å; I663-I733 HydrophobicContact CG1-CG2 4.26Å; I669-I733 HydrophobicContact CG2-CD1 3.94Å; Q672-I733 HydrophobicContact CB-CD1 3.66Å; I733-A736 PolarHBondContact O-N 3.49Å; I733-L737 WeakPolarHBondContact O-CB 3.44Å; I733-L737 PolarHBondContact O-N 3.32Å |
| 734 | D | 84.5 | Confident | 87.6 | Confident | 112 Ų | 112 | 64.8 Ų | 64.8 | 60% | 0.599 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.2 | -36.4 | 178.7 | -76 | -48.3 | 0 | 0 | 0 | 112.4 | E732 L737 K738 | E732-D734 PolarHBondContact O-N 3.35Å; D734-L737 PolarHBondContact O-N 2.96Å; D734-K738 VanDerWaalsContact O-CB 3.3Å; D734-K738 WeakPolarHBondContact O-CB 3.42Å; D734-K738 PolarHBondContact O-N 2.93Å |
| 735 | D | 84 | Confident | 87.2 | Confident | 76 Ų | 76 | 67 Ų | 67 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 172.3 | -85.8 | -25.3 | 0 | 0 | 0 | 111.3 | V730 E732 L737 K738 E739 | V730-D735 HydrophobicContact CG1-CB 3.72Å; E732-D735 PolarHBondContact O-N 3.17Å; D735-L737 VanDerWaalsContact C-N 3.33Å; D735-L737 PolarHBondContact O-N 2.9Å; D735-K738 WeakPolarHBondContact O-CB 3.19Å; D735-K738 PolarHBondContact O-N 2.93Å; D735-E739 PolarHBondContact O-N 3.01Å |
| 736 | A | 86.9 | Confident | 87.1 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V730 E732 I733 K738 E739 L740 | V730-A736 HydrophobicContact CG1-CB 4.06Å; E732-A736 PolarHBondContact O-N 3.32Å; I733-A736 PolarHBondContact O-N 3.49Å; A736-K738 VanDerWaalsContact C-N 3.33Å; A736-K738 PolarHBondContact O-N 2.94Å; A736-E739 PolarHBondContact O-N 3.36Å; A736-L740 WeakPolarHBondContact O-CG 3.28Å; A736-L740 PolarHBondContact O-N 2.93Å |
| 737 | L | 88 | Confident | 87.4 | Confident | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65 | -35.4 | 175.6 | 179.1 | 64 | 0 | 0 | 0 | 112.4 | I656 L659 M660 I663 I733 D734 D735 K741 | I656-L737 HydrophobicContact CG2-CD1 4.02Å; L659-L737 HydrophobicContact CD2-CB 4.3Å; L659-L737 HydrophobicContact CD2-CD1 4.11Å; M660-L737 HydrophobicContact CG-CD1 4.02Å; M660-L737 HydrophobicContact CG-CD2 4.21Å; I663-L737 HydrophobicContact CD1-CD2 3.95Å; I733-L737 WeakPolarHBondContact O-CB 3.44Å; I733-L737 PolarHBondContact O-N 3.32Å; D734-L737 PolarHBondContact O-N 2.96Å; D735-L737 VanDerWaalsContact C-N 3.33Å; D735-L737 PolarHBondContact O-N 2.9Å; L737-K741 HydrophobicContact CG-CD 4.4Å; L737-K741 WeakPolarHBondContact O-CD 3.37Å; L737-K741 VanDerWaalsContact O-CG 3.28Å; L737-K741 WeakPolarHBondContact O-CG 3.48Å; L737-K741 PolarHBondContact O-N 2.91Å |
| 738 | K | 85.1 | Confident | 87.6 | Confident | 117 Ų | 117 | 60.6 Ų | 60.6 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.5 | -41.9 | 176.2 | 178.9 | -173.8 | 171.5 | -163.3 | 0 | 111.7 | D734 D735 A736 K741 S742 | D734-K738 VanDerWaalsContact O-CB 3.3Å; D734-K738 WeakPolarHBondContact O-CB 3.42Å; D734-K738 PolarHBondContact O-N 2.93Å; D735-K738 WeakPolarHBondContact O-CB 3.19Å; D735-K738 PolarHBondContact O-N 2.93Å; A736-K738 VanDerWaalsContact C-N 3.33Å; A736-K738 PolarHBondContact O-N 2.94Å; K738-K741 PolarHBondContact O-N 2.89Å; K738-S742 PolarHBondContact O-N 3.21Å; K738-S742 VanDerWaalsContact O-N 3.08Å |
| 739 | E | 88.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 174.7 | -73.6 | -57.1 | 121.9 | 0 | 0 | 112.3 | T726 D735 A736 K741 S742 Y743 | T726-E739 HydrophobicContact CG2-CB 3.99Å; T726-E739 HydrophobicContact CG2-CG 4.2Å; D735-E739 PolarHBondContact O-N 3.01Å; A736-E739 PolarHBondContact O-N 3.36Å; E739-K741 VanDerWaalsContact C-N 3.29Å; E739-K741 PolarHBondContact O-N 2.83Å; E739-S742 WeakPolarHBondContact O-CA 3.45Å; E739-S742 VanDerWaalsContact O-CB 3.27Å; E739-S742 WeakPolarHBondContact O-CB 3.47Å; E739-S742 PolarHBondContact O-N 2.89Å; E739-Y743 HydrophobicContact CB-CE1 4.5Å; E739-Y743 HydrophobicContact CB-CE2 4.21Å; E739-Y743 WeakPolarHBondContact O-CD1 3.44Å; E739-Y743 VanDerWaalsContact O-CG 3.31Å; E739-Y743 PolarHBondContact O-N 2.79Å; E739-Y743 WeakPolarHBondContact OE2-CE1 3.38Å; E739-Y743 PolarHBondContact OE2-OH 3.32Å |
| 740 | L | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.9 | -41.5 | 175.2 | -74.6 | 168.5 | 0 | 0 | 0 | 112.4 | L652 I656 L659 L680 A736 Y743 R744 | L652-L740 HydrophobicContact CD2-CD2 3.71Å; I656-L740 HydrophobicContact CD1-CB 4.07Å; I656-L740 HydrophobicContact CG1-CB 3.84Å; L659-L740 HydrophobicContact CD2-CD1 4.32Å; L680-L740 HydrophobicContact CD2-CD2 3.75Å; L680-L740 HydrophobicContact CD2-CG 4.36Å; L680-L740 HydrophobicContact CG-CD2 4.09Å; A736-L740 WeakPolarHBondContact O-CG 3.28Å; A736-L740 PolarHBondContact O-N 2.93Å; L740-Y743 PolarHBondContact O-N 2.78Å; L740-R744 PolarHBondContact O-N 2.75Å; L740-R744 VanDerWaalsContact O-N 3.08Å |
| 741 | K | 91.5 | Very high | 88.5 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 174.8 | -74.6 | 168.9 | -179.5 | 170.3 | 0 | 112.4 | I656 L737 K738 E739 E745 | I656-K741 HydrophobicContact CD1-CG 4.04Å; I656-K741 HydrophobicContact CG2-CG 4.35Å; L737-K741 HydrophobicContact CG-CD 4.4Å; L737-K741 WeakPolarHBondContact O-CD 3.37Å; L737-K741 VanDerWaalsContact O-CG 3.28Å; L737-K741 WeakPolarHBondContact O-CG 3.48Å; L737-K741 PolarHBondContact O-N 2.91Å; K738-K741 PolarHBondContact O-N 2.89Å; E739-K741 VanDerWaalsContact C-N 3.29Å; E739-K741 PolarHBondContact O-N 2.83Å; K741-E745 PolarHBondContact O-N 2.79Å; K741-E745 VanDerWaalsContact O-N 3.11Å |
| 742 | S | 85.5 | Confident | 89.1 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 174.3 | 167.9 | 0 | 0 | 0 | 0 | 112.1 | C240 K738 E739 E745 T746 | C240-S742 PolarHBondContact SG-OG 3.27Å; C240-S742 VanDerWaalsContact SG-OG 3.35Å; K738-S742 PolarHBondContact O-N 3.21Å; K738-S742 VanDerWaalsContact O-N 3.08Å; E739-S742 WeakPolarHBondContact O-CA 3.45Å; E739-S742 VanDerWaalsContact O-CB 3.27Å; E739-S742 WeakPolarHBondContact O-CB 3.47Å; E739-S742 PolarHBondContact O-N 2.89Å; S742-E745 PolarHBondContact O-N 3.4Å; S742-T746 PolarHBondContact O-N 2.82Å; S742-T746 PolarHBondContact O-OG1 2.71Å |
| 743 | Y | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 178.1 | -57 | -20.8 | 0 | 0 | 0 | 111.5 | L680 F683 L719 Q722 A723 T726 E739 L740 E745 T746 I747 | L680-Y743 HydrophobicContact CD2-CE2 4.15Å; F683-Y743 AromaticContact CD1-CD2 3.86Å; F683-Y743 HydrophobicContact CD1-CD2 3.86Å; F683-Y743 HydrophobicContact CD1-CG 4.45Å; F683-Y743 AromaticContact CE1-CD2 3.57Å; F683-Y743 HydrophobicContact CE1-CD2 3.57Å; F683-Y743 HydrophobicContact CE1-CE2 4.43Å; F683-Y743 AromaticContact CE1-CG 3.74Å; F683-Y743 HydrophobicContact CE1-CG 3.74Å; F683-Y743 HydrophobicContact CZ-CD2 4.46Å; F683-Y743 HydrophobicContact CZ-CG 4.25Å; L719-Y743 HydrophobicContact CD2-CD1 3.73Å; L719-Y743 HydrophobicContact CD2-CE1 4.48Å; L719-Y743 HydrophobicContact CD2-CG 4.35Å; Q722-Y743 HydrophobicContact CB-CE1 4.24Å; A723-Y743 HydrophobicContact CB-CD2 4.46Å; A723-Y743 HydrophobicContact CB-CE2 4.01Å; T726-Y743 WeakPolarHBondContact CB-OH 3.47Å; T726-Y743 PolarHBondContact OG1-OH 2.89Å; E739-Y743 HydrophobicContact CB-CE1 4.5Å; E739-Y743 HydrophobicContact CB-CE2 4.21Å; E739-Y743 WeakPolarHBondContact O-CD1 3.44Å; E739-Y743 VanDerWaalsContact O-CG 3.31Å; E739-Y743 PolarHBondContact O-N 2.79Å; E739-Y743 WeakPolarHBondContact OE2-CE1 3.38Å; E739-Y743 PolarHBondContact OE2-OH 3.32Å; L740-Y743 PolarHBondContact O-N 2.78Å; Y743-E745 PolarHBondContact O-N 2.86Å; Y743-T746 WeakPolarHBondContact O-CB 3.26Å; Y743-T746 PolarHBondContact O-N 3.43Å; Y743-T746 VanDerWaalsContact O-N 3.13Å; Y743-I747 WeakPolarHBondContact O-CG1 3.27Å; Y743-I747 PolarHBondContact O-N 2.71Å |
| 744 | R | 94.5 | Very high | 89.9 | Confident | 62 Ų | 62 | 44.5 Ų | 44.5 | 23% | 0.234 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.9 | -49.2 | 175.9 | 177.8 | -166.5 | 164 | -77.9 | 10.7 | 112 | L652 E653 I656 L740 T746 I747 L748 | L652-R744 HydrophobicContact CB-CB 4.19Å; L652-R744 HydrophobicContact CB-CG 4.49Å; L652-R744 HydrophobicContact CD1-CB 3.94Å; E653-R744 IonicContact OE2-CZ 3.29Å; E653-R744 IonicContact OE2-NE 2.65Å; E653-R744 PolarHBondContact OE2-NE 3.38Å; E653-R744 IonicContact OE2-NH2 3.72Å; E653-R744 PolarHBondContact OE2-NH2 2.85Å; I656-R744 HydrophobicContact CD1-CB 4.33Å; L740-R744 PolarHBondContact O-N 2.75Å; L740-R744 VanDerWaalsContact O-N 3.08Å; R744-T746 VanDerWaalsContact C-N 3.29Å; R744-T746 PolarHBondContact O-N 3.28Å; R744-I747 PolarHBondContact O-N 3.44Å; R744-L748 HydrophobicContact CG-CD1 4.36Å; R744-L748 VanDerWaalsContact NH1-CD1 3.28Å; R744-L748 WeakPolarHBondContact O-CG 3.43Å; R744-L748 PolarHBondContact O-N 2.95Å |
| 745 | E | 87.5 | Confident | 90.3 | Very high | 87 Ų | 87 | 39.2 Ų | 39.2 | 41% | 0.407 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.1 | -36.4 | 179.7 | -162.8 | 66.4 | -170.9 | 0 | 0 | 111.6 | K741 S742 Y743 L748 N749 | K741-E745 PolarHBondContact O-N 2.79Å; K741-E745 VanDerWaalsContact O-N 3.11Å; S742-E745 PolarHBondContact O-N 3.4Å; Y743-E745 PolarHBondContact O-N 2.86Å; E745-L748 PolarHBondContact O-N 2.98Å; E745-N749 PolarHBondContact O-N 3.47Å; E745-N749 VanDerWaalsContact O-N 3.16Å; E745-N749 PolarHBondContact O-ND2 2.83Å |
| 746 | T | 88.1 | Confident | 90.6 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 174.7 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | N219 L719 S742 Y743 R744 N749 L750 | N219-T746 PolarHBondContact ND2-OG1 3.49Å; L719-T746 HydrophobicContact CD1-CG2 3.89Å; L719-T746 HydrophobicContact CD2-CG2 4.14Å; L719-T746 HydrophobicContact CG-CG2 4.41Å; S742-T746 PolarHBondContact O-N 2.82Å; S742-T746 PolarHBondContact O-OG1 2.71Å; Y743-T746 WeakPolarHBondContact O-CB 3.26Å; Y743-T746 PolarHBondContact O-N 3.43Å; Y743-T746 VanDerWaalsContact O-N 3.13Å; R744-T746 VanDerWaalsContact C-N 3.29Å; R744-T746 PolarHBondContact O-N 3.28Å; T746-N749 PolarHBondContact O-N 2.78Å; T746-L750 HydrophobicContact CG2-CD1 4.48Å; T746-L750 WeakPolarHBondContact O-CG 3.39Å; T746-L750 PolarHBondContact O-N 2.79Å; T746-L750 VanDerWaalsContact O-N 3.12Å |
| 747 | I | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 177.7 | -65.2 | -70.3 | 0 | 0 | 0 | 111.6 | L645 I648 A649 F683 L716 L719 Y743 R744 N749 L750 A751 | L645-I747 HydrophobicContact CB-CG2 4.19Å; L645-I747 HydrophobicContact CD2-CD1 4.29Å; L645-I747 HydrophobicContact CD2-CG2 4.3Å; L645-I747 WeakPolarHBondContact O-CG2 3.44Å; I648-I747 HydrophobicContact CB-CG2 4.26Å; I648-I747 HydrophobicContact CG2-CD1 4.3Å; I648-I747 HydrophobicContact CG2-CG1 4.31Å; I648-I747 HydrophobicContact CG2-CG2 4.38Å; A649-I747 HydrophobicContact CB-CG2 3.99Å; F683-I747 HydrophobicContact CE2-CD1 4.1Å; F683-I747 HydrophobicContact CE2-CG1 3.95Å; F683-I747 HydrophobicContact CZ-CD1 4.37Å; F683-I747 HydrophobicContact CZ-CG1 4.28Å; L716-I747 HydrophobicContact CD2-CD1 3.64Å; L719-I747 HydrophobicContact CD1-CD1 3.64Å; L719-I747 HydrophobicContact CD1-CG1 4.11Å; Y743-I747 WeakPolarHBondContact O-CG1 3.27Å; Y743-I747 PolarHBondContact O-N 2.71Å; R744-I747 PolarHBondContact O-N 3.44Å; I747-N749 VanDerWaalsContact C-N 3.29Å; I747-N749 PolarHBondContact O-N 3Å; I747-L750 PolarHBondContact O-N 3.01Å; I747-L750 VanDerWaalsContact O-N 3.1Å; I747-A751 PolarHBondContact O-N 2.73Å |
| 748 | L | 93.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.4 | -38 | 176.3 | -72.6 | 174.8 | 0 | 0 | 0 | 112.4 | L646 A649 R744 E745 A751 | L646-L748 HydrophobicContact CD2-CD2 4.09Å; A649-L748 HydrophobicContact CB-CD2 3.68Å; A649-L748 HydrophobicContact CB-CG 4Å; R744-L748 HydrophobicContact CG-CD1 4.36Å; R744-L748 VanDerWaalsContact NH1-CD1 3.28Å; R744-L748 WeakPolarHBondContact O-CG 3.43Å; R744-L748 PolarHBondContact O-N 2.95Å; E745-L748 PolarHBondContact O-N 2.98Å; L748-A751 PolarHBondContact O-N 2.8Å |
| 749 | N | 87.1 | Confident | 91.8 | Very high | 85 Ų | 85 | 31 Ų | 31 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -67.8 | -34.8 | 174.4 | -75.9 | -63.3 | 0 | 0 | 0 | 112.6 | E745 T746 I747 A751 I752 | E745-N749 PolarHBondContact O-N 3.47Å; E745-N749 VanDerWaalsContact O-N 3.16Å; E745-N749 PolarHBondContact O-ND2 2.83Å; T746-N749 PolarHBondContact O-N 2.78Å; I747-N749 VanDerWaalsContact C-N 3.29Å; I747-N749 PolarHBondContact O-N 3Å; N749-A751 VanDerWaalsContact C-N 3.34Å; N749-I752 PolarHBondContact O-N 2.81Å |
| 750 | L | 90.4 | Very high | 92.2 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72 | -26.3 | 175.5 | -67.7 | 169.3 | 0 | 0 | 0 | 113.5 | L645 R712 Q715 L719 T746 I747 I752 | L645-L750 HydrophobicContact CD1-CB 4.02Å; L645-L750 WeakPolarHBondContact CD1-O 3.39Å; L645-L750 HydrophobicContact CD2-CB 4.44Å; R712-L750 PolarHBondContact NE-O 3.19Å; R712-L750 PolarHBondContact NH2-O 3.07Å; Q715-L750 HydrophobicContact CB-CD1 3.69Å; Q715-L750 HydrophobicContact CB-CD2 4.02Å; Q715-L750 HydrophobicContact CG-CD2 4.1Å; L719-L750 HydrophobicContact CD1-CD1 4.37Å; T746-L750 HydrophobicContact CG2-CD1 4.48Å; T746-L750 WeakPolarHBondContact O-CG 3.39Å; T746-L750 PolarHBondContact O-N 2.79Å; T746-L750 VanDerWaalsContact O-N 3.12Å; I747-L750 PolarHBondContact O-N 3.01Å; I747-L750 VanDerWaalsContact O-N 3.1Å; L750-I752 PolarHBondContact O-N 2.9Å |
| 751 | A | 94.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -11 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V642 L645 L646 I747 L748 N749 E753 | V642-A751 WeakPolarHBondContact CG1-O 3.39Å; V642-A751 WeakPolarHBondContact CG2-O 3.23Å; L645-A751 HydrophobicContact CB-CB 3.82Å; L646-A751 HydrophobicContact CD2-CB 3.79Å; L646-A751 HydrophobicContact CG-CB 4.03Å; I747-A751 PolarHBondContact O-N 2.73Å; L748-A751 PolarHBondContact O-N 2.8Å; N749-A751 VanDerWaalsContact C-N 3.34Å; A751-E753 PolarHBondContact O-N 2.9Å |
| 752 | I | 92 | Very high | 92.7 | Very high | 70 Ų | 70 | 25.1 Ų | 25.1 | 36% | 0.359 | 13% | 0.129 | S | C | . | . | trans | -66.3 | 127.3 | 174.4 | -59.8 | 175.8 | 0 | 0 | 0 | 109.1 | Q468 R712 N749 L750 | Q468-I752 HydrophobicContact CG-CG2 4.08Å; R712-I752 PolarHBondContact NH2-O 3.27Å; N749-I752 PolarHBondContact O-N 2.81Å; L750-I752 PolarHBondContact O-N 2.9Å | ||
| 753 | E | 94.5 | Very high | 93.2 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | trans | -120.3 | 112.8 | 176 | -179.1 | 53.7 | -117.4 | 0 | 0 | 109.3 | R638 V642 L708 R712 A751 Q755 M756 | R638-E753 HydrophobicContact CB-CG 4.4Å; V642-E753 HydrophobicContact CG2-CB 3.52Å; V642-E753 HydrophobicContact CG2-CG 4.22Å; L708-E753 WeakPolarHBondContact CD1-OE1 3.3Å; L708-E753 WeakPolarHBondContact CD1-OE2 3.24Å; R712-E753 IonicContact CZ-OE2 2.81Å; R712-E753 IonicContact NH1-OE2 2.66Å; R712-E753 PolarHBondContact NH1-OE2 3.41Å; R712-E753 IonicContact NH2-OE2 3.71Å; R712-E753 PolarHBondContact NH2-OE2 2.72Å; A751-E753 PolarHBondContact O-N 2.9Å; E753-Q755 VanDerWaalsContact C-N 3.34Å; E753-Q755 WeakPolarHBondContact OE1-CB 3.46Å; E753-Q755 PolarHBondContact OE1-N 2.93Å; E753-M756 HydrophobicContact CB-CG 4.05Å; E753-M756 HydrophobicContact CB-SD 4.03Å; E753-M756 HydrophobicContact CG-CG 4.06Å; E753-M756 HydrophobicContact CG-SD 3.98Å; E753-M756 WeakPolarHBondContact O-CG 3.42Å | ||
| 754 | P | 92 | Very high | 93.3 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 16% | 0.162 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -73.6 | -25.5 | 177.2 | 28.4 | -34 | 0 | 0 | 0 | 112.5 | Q468 I469 M704 L708 M756 | Q468-P754 HydrophobicContact CB-CB 4.38Å; I469-P754 HydrophobicContact CG2-CB 3.84Å; I469-P754 HydrophobicContact CG2-CG 4Å; M704-P754 HydrophobicContact CE-CG 3.63Å; L708-P754 HydrophobicContact CD1-CG 4.37Å; P754-M756 VanDerWaalsContact C-N 3.28Å; P754-M756 PolarHBondContact O-N 3.05Å |
| 755 | Q | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -93.1 | 42.1 | -173.1 | -48.6 | -166 | 95.6 | 0 | 0 | 113.5 | F483 G484 R638 N702 M704 D705 E753 S757 | F483-Q755 HydrophobicContact CD2-CG 4.02Å; F483-Q755 HydrophobicContact CE2-CB 4.38Å; F483-Q755 HydrophobicContact CE2-CG 3.86Å; G484-Q755 VanDerWaalsContact CA-OE1 3.28Å; R638-Q755 VanDerWaalsContact NH1-CB 3.3Å; R638-Q755 PolarHBondContact NH1-O 2.92Å; N702-Q755 PolarHBondContact ND2-OE1 3.03Å; N702-Q755 PolarHBondContact OD1-NE2 3.22Å; N702-Q755 PolarHBondContact OD1-OE1 2.59Å; M704-Q755 HydrophobicContact CG-CG 4.2Å; D705-Q755 PolarHBondContact OD1-NE2 2.85Å; E753-Q755 VanDerWaalsContact C-N 3.34Å; E753-Q755 WeakPolarHBondContact OE1-CB 3.46Å; E753-Q755 PolarHBondContact OE1-N 2.93Å; Q755-S757 PolarHBondContact O-N 2.96Å | ||
| 756 | M | 90.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 18 Ų | 18 | 21% | 0.212 | 10% | 0.096 | C | C | . | . | trans | -77.4 | 78.6 | 179 | -70.5 | -69.7 | -62.8 | 0 | 0 | 111.4 | N489 L639 E753 P754 H780 | N489-M756 PolarHBondContact ND2-O 2.93Å; L639-M756 HydrophobicContact CD2-CE 3.81Å; L639-M756 HydrophobicContact CD2-SD 3.27Å; L639-M756 WeakPolarHBondContact CD2-SD 3.48Å; E753-M756 HydrophobicContact CB-CG 4.05Å; E753-M756 HydrophobicContact CB-SD 4.03Å; E753-M756 HydrophobicContact CG-CG 4.06Å; E753-M756 HydrophobicContact CG-SD 3.98Å; E753-M756 WeakPolarHBondContact O-CG 3.42Å; P754-M756 VanDerWaalsContact C-N 3.28Å; P754-M756 PolarHBondContact O-N 3.05Å; M756-H780 HydrophobicContact CE-CB 4.31Å; M756-H780 WeakPolarHBondContact CE-ND1 3.27Å | ||
| 757 | S | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -78.1 | -24.6 | -173.9 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | N489 R520 E633 I635 Q755 | N489-S757 PolarHBondContact ND2-O 2.81Å; N489-S757 PolarHBondContact OD1-O 2.75Å; R520-S757 PolarHBondContact NH1-O 3.04Å; E633-S757 VanDerWaalsContact CG-OG 3.29Å; E633-S757 WeakPolarHBondContact CG-OG 3.48Å; E633-S757 WeakPolarHBondContact OE1-CB 3.43Å; E633-S757 PolarHBondContact OE1-OG 2.97Å; I635-S757 WeakPolarHBondContact CD1-OG 3.39Å; Q755-S757 PolarHBondContact O-N 2.96Å | ||
| 758 | I | 95.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -77 | 128.7 | 173.8 | -57.3 | -176.4 | 0 | 0 | 0 | 109.6 | N489 I584 W632 I635 L639 A779 F829 | N489-I758 VanDerWaalsContact ND2-C 3.33Å; N489-I758 PolarHBondContact ND2-O 3.37Å; I584-I758 HydrophobicContact CD1-CG2 3.97Å; W632-I758 HydrophobicContact CB-CD1 4.25Å; W632-I758 HydrophobicContact CB-CG1 4.08Å; W632-I758 HydrophobicContact CG-CG1 4.39Å; W632-I758 HydrophobicContact CG-CG2 4.27Å; I635-I758 HydrophobicContact CD1-CD1 4.38Å; I635-I758 HydrophobicContact CD1-CG1 4.1Å; I635-I758 HydrophobicContact CG1-CD1 3.98Å; I635-I758 HydrophobicContact CG1-CG1 4.1Å; L639-I758 HydrophobicContact CD1-CD1 4.04Å; I758-A779 HydrophobicContact CB-CB 4.37Å; I758-A779 HydrophobicContact CG2-CB 3.77Å; I758-F829 HydrophobicContact CD1-CE1 4.25Å; I758-F829 HydrophobicContact CG2-CE1 3.98Å; I758-F829 HydrophobicContact CG2-CZ 3.94Å |
| 759 | P | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 160.3 | 178.4 | -19.8 | 30.6 | 0 | 0 | 0 | 114 | N489 Y517 I584 W632 | N489-P759 WeakPolarHBondContact OD1-CG 3.38Å; Y517-P759 HydrophobicContact CD2-CB 4.04Å; Y517-P759 HydrophobicContact CD2-CG 4.21Å; Y517-P759 HydrophobicContact CE2-CB 4.05Å; Y517-P759 HydrophobicContact CE2-CG 3.7Å; I584-P759 HydrophobicContact CG1-CB 4.32Å; W632-P759 HydrophobicContact CE3-CG 4.49Å; W632-P759 HydrophobicContact CH2-CG 3.57Å; W632-P759 HydrophobicContact CZ2-CG 4.04Å; W632-P759 HydrophobicContact CZ3-CG 3.81Å |
| 760 | D | 96.2 | Very high | 91.5 | Very high | 22 Ų | 22 | 24 Ų | 24 | 12% | 0.118 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 147.9 | 168.1 | -69.2 | 18.7 | 0 | 0 | 0 | 110.6 | Y491 R776 | Y491-D760 HydrophobicContact CE1-CB 4.39Å; Y491-D760 WeakPolarHBondContact OH-CB 3.38Å; Y491-D760 VanDerWaalsContact OH-CG 3.29Å; Y491-D760 PolarHBondContact OH-N 3.35Å; Y491-D760 PolarHBondContact OH-OD1 3Å; Y491-D760 VanDerWaalsContact OH-OD1 3.12Å; D760-R776 IonicContact OD1-NH2 3.49Å; D760-R776 IonicContact OD2-CZ 2.72Å; D760-R776 IonicContact OD2-NE 3.03Å; D760-R776 PolarHBondContact OD2-NE 3.07Å; D760-R776 IonicContact OD2-NH2 3.04Å; D760-R776 PolarHBondContact OD2-NH2 2.87Å |
| 761 | I | 97.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.7 | 166.6 | -62.2 | 155.6 | 0 | 0 | 0 | 107.6 | L560 I582 S583 I584 R776 I777 V782 V827 F829 | L560-I761 HydrophobicContact CD1-CD1 3.69Å; L560-I761 HydrophobicContact CD1-CG1 4.24Å; L560-I761 HydrophobicContact CD1-CG2 4.48Å; L560-I761 HydrophobicContact CD2-CB 4.49Å; L560-I761 HydrophobicContact CD2-CD1 4.29Å; L560-I761 HydrophobicContact CD2-CG1 3.91Å; L560-I761 HydrophobicContact CD2-CG2 3.84Å; I582-I761 HydrophobicContact CG2-CG2 4.24Å; S583-I761 WeakPolarHBondContact O-CA 3.45Å; I584-I761 HydrophobicContact CB-CG1 4.3Å; I584-I761 HydrophobicContact CD1-CG1 3.97Å; I584-I761 HydrophobicContact CG1-CG1 4.29Å; I761-R776 CarbonylContact O-C 3.6Å; I761-R776 WeakPolarHBondContact O-CA 3.45Å; I761-I777 HydrophobicContact CB-CB 4.29Å; I761-I777 PolarHBondContact N-O 2.96Å; I761-I777 PolarHBondContact O-N 2.94Å; I761-V782 HydrophobicContact CD1-CG2 3.44Å; I761-V782 VanDerWaalsContact CD1-CG2 3.44Å; I761-V827 HydrophobicContact CD1-CG1 4.4Å; I761-F829 HydrophobicContact CD1-CB 4.3Å |
| 762 | I | 96.2 | Very high | 91 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.1 | 179.8 | -48.8 | 175.4 | 0 | 0 | 0 | 108.7 | S583 W764 Y774 H775 R776 | S583-I762 PolarHBondContact N-O 3.33Å; S583-I762 PolarHBondContact O-N 3.15Å; I762-W764 HydrophobicContact CG2-CD2 4.39Å; I762-W764 HydrophobicContact CG2-CG 4.36Å; I762-W764 HydrophobicContact CG2-CZ2 4.31Å; I762-Y774 HydrophobicContact CG2-CD2 4.48Å; I762-H775 WeakPolarHBondContact CA-O 3.46Å; I762-R776 HydrophobicContact CG1-CG 4.23Å |
| 763 | I | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 109.9 | 174.4 | -50.5 | -161.6 | 0 | 0 | 0 | 107.6 | F564 E581 I582 Y774 H775 I777 I801 L823 | F564-I763 HydrophobicContact CE1-CG2 4.45Å; E581-I763 CarbonylContact O-C 3.57Å; E581-I763 WeakPolarHBondContact O-CA 3.06Å; I582-I763 HydrophobicContact CD1-CB 4.02Å; I582-I763 HydrophobicContact CD1-CD1 3.62Å; I582-I763 HydrophobicContact CD1-CG1 3.47Å; I582-I763 VanDerWaalsContact CD1-CG1 3.47Å; I582-I763 HydrophobicContact CD1-CG2 3.85Å; I763-Y774 CarbonylContact O-C 3.53Å; I763-Y774 WeakPolarHBondContact O-CA 3.2Å; I763-H775 PolarHBondContact N-O 2.93Å; I763-H775 PolarHBondContact O-N 2.83Å; I763-I777 HydrophobicContact CD1-CD1 3.81Å; I763-I777 HydrophobicContact CG1-CD1 4.38Å; I763-I801 HydrophobicContact CD1-CD1 3.68Å; I763-L823 HydrophobicContact CG2-CD1 3.91Å |
| 764 | W | 95.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.8 | 176.7 | -74.2 | 104.6 | 0 | 0 | 0 | 111.3 | P494 V515 A516 F580 E581 I762 L766 R771 Y774 | P494-W764 HydrophobicContact CB-CH2 4.21Å; P494-W764 HydrophobicContact CG-CH2 4.39Å; V515-W764 HydrophobicContact CB-CH2 4.43Å; V515-W764 HydrophobicContact CG2-CH2 3.99Å; A516-W764 HydrophobicContact CB-CZ2 4.04Å; F580-W764 CarbonylContact C-O 3.25Å; F580-W764 WeakPolarHBondContact CA-O 3.38Å; E581-W764 HydrophobicContact CB-CB 4.24Å; E581-W764 PolarHBondContact N-O 3.49Å; E581-W764 PolarHBondContact O-N 2.81Å; I762-W764 HydrophobicContact CG2-CD2 4.39Å; I762-W764 HydrophobicContact CG2-CG 4.36Å; I762-W764 HydrophobicContact CG2-CZ2 4.31Å; W764-L766 HydrophobicContact CB-CD1 3.9Å; W764-R771 HydrophobicContact CB-CG 4.38Å; W764-R771 HydrophobicContact CD2-CB 4.31Å; W764-R771 HydrophobicContact CD2-CG 3.97Å; W764-R771 HydrophobicContact CE3-CB 3.62Å; W764-R771 HydrophobicContact CE3-CG 3.8Å; W764-R771 HydrophobicContact CG-CG 4.22Å; W764-R771 HydrophobicContact CZ3-CB 3.89Å; W764-R771 HydrophobicContact CZ3-CG 4.42Å; W764-Y774 HydrophobicContact CH2-CG 4.34Å; W764-Y774 HydrophobicContact CZ3-CG 4.29Å |
| 765 | M | 94 | Very high | 91.3 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.7 | 164.4 | 179.3 | -175.9 | -171.2 | 0 | 0 | 109.4 | I570 I578 F580 T772 A773 L803 P820 A821 | I570-M765 HydrophobicContact CG2-CE 4.07Å; I578-M765 HydrophobicContact CD1-CE 3.76Å; I578-M765 HydrophobicContact CG1-CE 4.24Å; I578-M765 HydrophobicContact CG2-CE 3.98Å; I578-M765 HydrophobicContact CG2-CG 4.12Å; F580-M765 HydrophobicContact CD1-CB 4.02Å; F580-M765 HydrophobicContact CD1-CG 4.31Å; F580-M765 HydrophobicContact CE1-CB 3.83Å; F580-M765 HydrophobicContact CE1-CG 3.73Å; F580-M765 HydrophobicContact CE1-SD 4.44Å; M765-T772 PolarHBondContact O-N 3.04Å; M765-T772 PolarHBondContact O-OG1 2.94Å; M765-T772 VanDerWaalsContact O-OG1 3.05Å; M765-A773 HydrophobicContact CB-CB 4.18Å; M765-A773 PolarHBondContact N-O 2.87Å; M765-A773 HydrophobicContact SD-CB 4.24Å; M765-L803 HydrophobicContact CB-CD1 3.59Å; M765-L803 HydrophobicContact CG-CD1 4.34Å; M765-L803 HydrophobicContact SD-CD1 4.14Å; M765-P820 HydrophobicContact SD-CB 4.28Å; M765-A821 HydrophobicContact CE-CB 4.14Å; M765-A821 HydrophobicContact SD-CB 3.93Å |
| 766 | L | 90.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.9 | 177 | -65.9 | 80.8 | 0 | 0 | 0 | 109.2 | I578 E579 E581 W764 K770 R771 | I578-L766 VanDerWaalsContact CA-O 3.31Å; I578-L766 WeakPolarHBondContact CA-O 3.18Å; E579-L766 HydrophobicContact CB-CB 4.3Å; E579-L766 PolarHBondContact N-O 3.41Å; E579-L766 PolarHBondContact O-N 3.33Å; E581-L766 HydrophobicContact CB-CD1 3.52Å; W764-L766 HydrophobicContact CB-CD1 3.9Å; L766-K770 CarbonylContact C-O 3.29Å; L766-K770 VanDerWaalsContact CA-O 3.24Å; L766-K770 WeakPolarHBondContact CA-O 3.41Å; L766-R771 HydrophobicContact CG-CG 4.27Å |
| 767 | C | 87.1 | Confident | 91.6 | Very high | 20 Ų | 20 | 24 Ų | 24 | 14% | 0.135 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.4 | 171.4 | -64.7 | 0 | 0 | 0 | 0 | 108.5 | S574 G769 K770 T772 | S574-C767 PolarHBondContact OG-SG 3.37Å; C767-G769 PolarHBondContact O-N 3.46Å; C767-K770 PolarHBondContact N-O 3.06Å; C767-K770 PolarHBondContact O-N 3.11Å; C767-K770 VanDerWaalsContact O-N 3.14Å; C767-T772 HydrophobicContact CB-CG2 3.83Å; C767-T772 PolarHBondContact SG-OG1 2.85Å; C767-T772 VanDerWaalsContact SG-OG1 3.33Å |
| 768 | G | 75.7 | Confident | 91.7 | Very high | 53 Ų | 53 | 25.6 Ų | 25.6 | 55% | 0.546 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 32.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P577 | P577-G768 PolarHBondContact O-N 3.14Š|
| 769 | G | 75.9 | Confident | 91.7 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 58% | 0.577 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -4.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | C767 | C767-G769 PolarHBondContact O-N 3.46Š|
| 770 | K | 83.6 | Confident | 91.7 | Very high | 148 Ų | 148 | 26.8 Ų | 26.8 | 64% | 0.643 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140.5 | 177.3 | -60.4 | -171.1 | -179.3 | -172.2 | 0 | 112 | L766 C767 T772 | L766-K770 CarbonylContact C-O 3.29Å; L766-K770 VanDerWaalsContact CA-O 3.24Å; L766-K770 WeakPolarHBondContact CA-O 3.41Å; C767-K770 PolarHBondContact N-O 3.06Å; C767-K770 PolarHBondContact O-N 3.11Å; C767-K770 VanDerWaalsContact O-N 3.14Å; K770-T772 PolarHBondContact O-N 2.67Å |
| 771 | R | 88 | Confident | 91.6 | Very high | 25 Ų | 25 | 28 Ų | 28 | 9% | 0.094 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 113 | -178.2 | -75 | 175.5 | 171.5 | 141.2 | 0.4 | 110.2 | R495 E496 E581 N589 W764 L766 | R495-R771 PolarHBondContact O-NH1 2.86Å; E496-R771 WeakPolarHBondContact OE1-CB 3.36Å; E496-R771 PolarHBondContact OE1-N 3.15Å; E581-R771 IonicContact OE1-CZ 3.96Å; E581-R771 IonicContact OE1-NE 2.91Å; E581-R771 PolarHBondContact OE1-NE 3.41Å; E581-R771 IonicContact OE1-NH2 2.87Å; E581-R771 PolarHBondContact OE1-NH2 2.84Å; E581-R771 IonicContact OE2-NH2 2.74Å; E581-R771 PolarHBondContact OE2-NH2 2.72Å; N589-R771 PolarHBondContact OD1-NH2 3.03Å; W764-R771 HydrophobicContact CB-CG 4.38Å; W764-R771 HydrophobicContact CD2-CB 4.31Å; W764-R771 HydrophobicContact CD2-CG 3.97Å; W764-R771 HydrophobicContact CE3-CB 3.62Å; W764-R771 HydrophobicContact CE3-CG 3.8Å; W764-R771 HydrophobicContact CG-CG 4.22Å; W764-R771 HydrophobicContact CZ3-CB 3.89Å; W764-R771 HydrophobicContact CZ3-CG 4.42Å; L766-R771 HydrophobicContact CG-CG 4.27Å |
| 772 | T | 87.1 | Confident | 91.5 | Very high | 56 Ų | 56 | 28 Ų | 28 | 34% | 0.344 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -32.3 | -171.7 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | M765 C767 K770 | M765-T772 PolarHBondContact O-N 3.04Å; M765-T772 PolarHBondContact O-OG1 2.94Å; M765-T772 VanDerWaalsContact O-OG1 3.05Å; C767-T772 HydrophobicContact CB-CG2 3.83Å; C767-T772 PolarHBondContact SG-OG1 2.85Å; C767-T772 VanDerWaalsContact SG-OG1 3.33Å; K770-T772 PolarHBondContact O-N 2.67Å |
| 773 | A | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 162.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M765 L803 K804 P820 | M765-A773 HydrophobicContact CB-CB 4.18Å; M765-A773 PolarHBondContact N-O 2.87Å; M765-A773 HydrophobicContact SD-CB 4.24Å; A773-L803 HydrophobicContact CB-CB 3.99Å; A773-L803 HydrophobicContact CB-CD1 4.31Å; A773-K804 CarbonylContact C-O 3.57Å; A773-K804 VanDerWaalsContact CA-O 3.26Å; A773-K804 WeakPolarHBondContact CA-O 3.38Å; A773-K804 WeakPolarHBondContact CB-O 3.45Å; A773-P820 HydrophobicContact CB-CB 3.56Å; A773-P820 HydrophobicContact CB-CG 3.75Å |
| 774 | Y | 94.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 166.3 | -178.1 | 80.8 | -67.2 | 0 | 0 | 0 | 113.2 | V515 I762 I763 W764 R776 K804 P806 | V515-Y774 HydrophobicContact CB-CD1 4.26Å; V515-Y774 HydrophobicContact CB-CD2 4.14Å; V515-Y774 HydrophobicContact CB-CE1 3.87Å; V515-Y774 HydrophobicContact CB-CE2 3.72Å; V515-Y774 HydrophobicContact CB-CG 4.41Å; V515-Y774 HydrophobicContact CG1-CD1 4.42Å; V515-Y774 HydrophobicContact CG1-CE1 3.6Å; V515-Y774 HydrophobicContact CG1-CE2 4Å; V515-Y774 VanDerWaalsContact CG1-OH 3.31Å; V515-Y774 WeakPolarHBondContact CG1-OH 3.48Å; I762-Y774 HydrophobicContact CG2-CD2 4.48Å; I763-Y774 CarbonylContact O-C 3.53Å; I763-Y774 WeakPolarHBondContact O-CA 3.2Å; W764-Y774 HydrophobicContact CH2-CG 4.34Å; W764-Y774 HydrophobicContact CZ3-CG 4.29Å; Y774-R776 HydrophobicContact CD2-CG 4.24Å; Y774-R776 HydrophobicContact CE2-CG 4.05Å; Y774-K804 HydrophobicContact CD1-CG 4.29Å; Y774-K804 VanDerWaalsContact CD1-O 3.3Å; Y774-K804 WeakPolarHBondContact CD1-O 3.36Å; Y774-K804 HydrophobicContact CE1-CD 4.32Å; Y774-K804 HydrophobicContact CE1-CG 3.85Å; Y774-K804 PolarHBondContact N-O 3.48Å; Y774-K804 PolarHBondContact O-N 2.89Å; Y774-K804 VanDerWaalsContact OH-CE 3.24Å; Y774-K804 WeakPolarHBondContact OH-CE 3.42Å; Y774-P806 HydrophobicContact CD1-CG 4.23Å; Y774-P806 HydrophobicContact CE1-CG 4.41Å |
| 775 | H | 96.2 | Very high | 91.4 | Very high | 50 Ų | 50 | 32.2 Ų | 32.2 | 23% | 0.231 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 149.1 | 162.6 | -160 | 96.8 | 0 | 0 | 0 | 109.3 | I762 I763 I801 N802 L803 | I762-H775 WeakPolarHBondContact CA-O 3.46Å; I763-H775 PolarHBondContact N-O 2.93Å; I763-H775 PolarHBondContact O-N 2.83Å; H775-I801 HydrophobicContact CB-CD1 4.42Å; H775-N802 PolarHBondContact ND1-O 3.32Å; H775-L803 HydrophobicContact CB-CD2 3.7Å |
| 776 | R | 95.3 | Very high | 91.3 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 17% | 0.17 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.3 | 176.3 | -84.9 | 175.3 | 59.9 | 168.2 | 2.5 | 109 | G514 D760 I761 I762 Y774 | G514-R776 PolarHBondContact O-NH1 3Å; D760-R776 IonicContact OD1-NH2 3.49Å; D760-R776 IonicContact OD2-CZ 2.72Å; D760-R776 IonicContact OD2-NE 3.03Å; D760-R776 PolarHBondContact OD2-NE 3.07Å; D760-R776 IonicContact OD2-NH2 3.04Å; D760-R776 PolarHBondContact OD2-NH2 2.87Å; I761-R776 CarbonylContact O-C 3.6Å; I761-R776 WeakPolarHBondContact O-CA 3.45Å; I762-R776 HydrophobicContact CG1-CG 4.23Å; Y774-R776 HydrophobicContact CD2-CG 4.24Å; Y774-R776 HydrophobicContact CE2-CG 4.05Å |
| 777 | I | 96.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 114 | 177.1 | -55.8 | 177.1 | 0 | 0 | 0 | 107.4 | I761 I763 A779 V782 V827 | I761-I777 HydrophobicContact CB-CB 4.29Å; I761-I777 PolarHBondContact N-O 2.96Å; I761-I777 PolarHBondContact O-N 2.94Å; I763-I777 HydrophobicContact CD1-CD1 3.81Å; I763-I777 HydrophobicContact CG1-CD1 4.38Å; I777-A779 PolarHBondContact O-N 3.22Å; I777-V782 HydrophobicContact CG2-CG1 3.93Å; I777-V782 HydrophobicContact CG2-CG2 4.18Å; I777-V827 HydrophobicContact CD1-CG2 4.27Å |
| 778 | P | 95.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | trans | -57 | 134.8 | 172.5 | -23.9 | 34 | 0 | 0 | 0 | 111.2 | H780 E781 | P778-H780 PolarHBondContact O-N 3.28Å; P778-H780 VanDerWaalsContact O-N 3.12Å; P778-E781 HydrophobicContact CB-CG 4.39Å; P778-E781 VanDerWaalsContact CD-OE1 3.31Å; P778-E781 WeakPolarHBondContact CD-OE1 3.44Å; P778-E781 PolarHBondContact O-N 2.82Å | ||
| 779 | A | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -58.3 | -32.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I758 I777 E781 V782 L783 F829 | I758-A779 HydrophobicContact CB-CB 4.37Å; I758-A779 HydrophobicContact CG2-CB 3.77Å; I777-A779 PolarHBondContact O-N 3.22Å; A779-E781 PolarHBondContact O-N 2.95Å; A779-V782 PolarHBondContact O-N 2.99Å; A779-L783 WeakPolarHBondContact O-CB 3.33Å; A779-L783 PolarHBondContact O-N 3.24Å; A779-L783 VanDerWaalsContact O-N 3.11Å; A779-F829 HydrophobicContact CB-CD1 4.18Å; A779-F829 HydrophobicContact CB-CE1 4.06Å |
| 780 | H | 95.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -65.9 | -34.9 | -178.9 | 69.5 | -93.3 | 0 | 0 | 0 | 113.3 | L639 N643 M756 P778 V782 L783 G792 | L639-H780 HydrophobicContact CB-CB 4.35Å; L639-H780 HydrophobicContact CD2-CB 4.29Å; N643-H780 PolarHBondContact ND2-O 2.94Å; N643-H780 VanDerWaalsContact ND2-O 3.14Å; N643-H780 PolarHBondContact OD1-O 2.9Å; N643-H780 VanDerWaalsContact OD1-O 3.1Å; M756-H780 HydrophobicContact CE-CB 4.31Å; M756-H780 WeakPolarHBondContact CE-ND1 3.27Å; P778-H780 PolarHBondContact O-N 3.28Å; P778-H780 VanDerWaalsContact O-N 3.12Å; H780-V782 PolarHBondContact O-N 2.83Å; H780-V782 VanDerWaalsContact O-N 3.1Å; H780-L783 PolarHBondContact O-N 3.03Å; H780-G792 WeakPolarHBondContact O-CA 3.23Å |
| 781 | E | 94.6 | Very high | 93.8 | Very high | 46 Ų | 46 | 36.9 Ų | 36.9 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -58.9 | -27.7 | -179.4 | -70.4 | -169.5 | -144.4 | 0 | 0 | 112.8 | P778 A779 G792 L793 K794 C795 | P778-E781 HydrophobicContact CB-CG 4.39Å; P778-E781 VanDerWaalsContact CD-OE1 3.31Å; P778-E781 WeakPolarHBondContact CD-OE1 3.44Å; P778-E781 PolarHBondContact O-N 2.82Å; A779-E781 PolarHBondContact O-N 2.95Å; E781-G792 CarbonylContact O-C 3.53Å; E781-G792 WeakPolarHBondContact O-CA 3.43Å; E781-L793 PolarHBondContact O-N 3.16Å; E781-K794 CarbonylContact O-C 3.51Å; E781-K794 WeakPolarHBondContact O-CA 3.3Å; E781-K794 PolarHBondContact O-N 3.43Å; E781-K794 WeakPolarHBondContact OE2-CE 3.44Å; E781-K794 IonicContact OE2-NZ 3.04Å; E781-K794 PolarHBondContact OE2-NZ 3.17Å; E781-C795 PolarHBondContact O-N 3.15Å |
| 782 | V | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -122.6 | 13.2 | -174.6 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | I761 I777 A779 H780 K794 C795 V827 F829 | I761-V782 HydrophobicContact CD1-CG2 3.44Å; I761-V782 VanDerWaalsContact CD1-CG2 3.44Å; I777-V782 HydrophobicContact CG2-CG1 3.93Å; I777-V782 HydrophobicContact CG2-CG2 4.18Å; A779-V782 PolarHBondContact O-N 2.99Å; H780-V782 PolarHBondContact O-N 2.83Å; H780-V782 VanDerWaalsContact O-N 3.1Å; V782-K794 HydrophobicContact CG1-CB 4.24Å; V782-C795 PolarHBondContact O-SG 3.08Å; V782-V827 HydrophobicContact CB-CB 4.24Å; V782-V827 HydrophobicContact CB-CG1 3.76Å; V782-V827 HydrophobicContact CG1-CB 3.84Å; V782-V827 HydrophobicContact CG1-CG1 3.75Å; V782-V827 HydrophobicContact CG2-CG1 3.76Å; V782-F829 HydrophobicContact CG2-CB 4.15Å; V782-F829 PolarHBondContact O-N 3.42Å |
| 783 | L | 96.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 127.5 | 178.6 | -176.9 | 71.5 | 0 | 0 | 0 | 110.9 | Y558 L639 A779 H780 G792 C795 F829 | Y558-L783 HydrophobicContact CE1-CD1 4.25Å; L639-L783 HydrophobicContact CB-CD2 3.52Å; L639-L783 HydrophobicContact CD1-CD2 3.73Å; L639-L783 HydrophobicContact CG-CD2 4.24Å; A779-L783 WeakPolarHBondContact O-CB 3.33Å; A779-L783 PolarHBondContact O-N 3.24Å; A779-L783 VanDerWaalsContact O-N 3.11Å; H780-L783 PolarHBondContact O-N 3.03Å; L783-G792 PolarHBondContact O-N 2.73Å; L783-C795 VanDerWaalsContact C-SG 3.57Å; L783-F829 CarbonylContact C-O 3.6Å; L783-F829 VanDerWaalsContact CA-O 3.31Å; L783-F829 WeakPolarHBondContact CA-O 3.39Å; L783-F829 HydrophobicContact CD1-CD1 3.7Å; L783-F829 HydrophobicContact CD1-CE1 3.98Å |
| 784 | Y | 95.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 14% | 0.141 | 19% | 0.192 | C | C | . | . | trans | -78.3 | 140 | 171.8 | -179.3 | -94.7 | 0 | 0 | 0 | 111.5 | D786 C795 W828 F829 D834 A837 | Y784-D786 VanDerWaalsContact CE1-OD1 3.26Å; Y784-D786 WeakPolarHBondContact CE1-OD1 3.25Å; Y784-D786 PolarHBondContact OH-OD1 2.75Å; Y784-C795 VanDerWaalsContact CA-SG 3.52Å; Y784-C795 PolarHBondContact N-SG 3.15Å; Y784-C795 VanDerWaalsContact N-SG 3.45Å; Y784-W828 AromaticContact CD1-CZ2 3.94Å; Y784-W828 HydrophobicContact CD1-CZ2 3.94Å; Y784-W828 HydrophobicContact CD2-CZ2 4.31Å; Y784-W828 AromaticContact CD2-NE1 3.28Å; Y784-W828 VanDerWaalsContact CD2-NE1 3.28Å; Y784-W828 AromaticContact CG-CE2 3.73Å; Y784-W828 AromaticContact CG-CZ2 3.68Å; Y784-W828 HydrophobicContact CG-CZ2 3.68Å; Y784-W828 AromaticContact CG-NE1 3.43Å; Y784-F829 PolarHBondContact N-O 2.83Å; Y784-D834 HydrophobicContact CD1-CB 3.73Å; Y784-D834 HydrophobicContact CE1-CB 3.67Å; Y784-A837 HydrophobicContact CD2-CB 4.12Å; Y784-A837 HydrophobicContact CE1-CB 4.15Å; Y784-A837 HydrophobicContact CE2-CB 3.44Å; Y784-A837 VanDerWaalsContact CE2-CB 3.44Å; Y784-A837 VanDerWaalsContact CZ-CB 3.47Å | ||
| 785 | H | 94.2 | Very high | 94.4 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | trans | -148.8 | 147.7 | 169.2 | -167 | -83.3 | 0 | 0 | 0 | 108.6 | N787 Y790 R791 | H785-N787 PolarHBondContact ND1-N 3.31Å; H785-N787 PolarHBondContact ND1-O 2.89Å; H785-Y790 AromaticContact CE1-CD2 3.51Å; H785-Y790 AromaticContact ND1-CD2 3.77Å; H785-Y790 AromaticContact NE2-CD2 3.96Å; H785-R791 HydrophobicContact CB-CB 4.4Å; H785-R791 PolarHBondContact O-NE 3.21Å; H785-R791 PolarHBondContact O-NH2 2.91Å | ||
| 786 | D | 90.4 | Very high | 94.1 | Very high | 95 Ų | 95 | 39.2 Ų | 39.2 | 51% | 0.508 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -66.2 | -48.2 | -179.4 | -71 | -33.2 | 0 | 0 | 0 | 111.5 | Y784 E788 R791 | Y784-D786 VanDerWaalsContact CE1-OD1 3.26Å; Y784-D786 WeakPolarHBondContact CE1-OD1 3.25Å; Y784-D786 PolarHBondContact OH-OD1 2.75Å; D786-E788 PolarHBondContact O-N 3.41Å; D786-R791 PolarHBondContact O-NH2 2.72Å |
| 787 | N | 92.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 40.3 Ų | 40.3 | 33% | 0.326 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -66.4 | 125.9 | 165.5 | -172.3 | 8.2 | 0 | 0 | 0 | 110.4 | H785 D789 Y790 R791 | H785-N787 PolarHBondContact ND1-N 3.31Å; H785-N787 PolarHBondContact ND1-O 2.89Å; N787-D789 VanDerWaalsContact C-N 3.35Å; N787-D789 PolarHBondContact ND2-OD2 2.91Å; N787-D789 PolarHBondContact O-N 2.81Å; N787-D789 PolarHBondContact OD1-N 2.88Å; N787-Y790 HydrophobicContact CB-CD2 4.01Å; N787-Y790 HydrophobicContact CB-CE2 4.29Å; N787-Y790 HydrophobicContact CB-CG 4.45Å; N787-Y790 PolarHBondContact O-N 3.19Å; N787-R791 PolarHBondContact O-N 2.97Å |
| 788 | E | 90.3 | Very high | 93.5 | Very high | 119 Ų | 119 | 40.8 Ų | 40.8 | 56% | 0.556 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -67.2 | -33.8 | -177.8 | -49.3 | -150.3 | 122.3 | 0 | 0 | 112.5 | R647 D786 Y790 R791 | R647-E788 VanDerWaalsContact CZ-O 3.29Å; R647-E788 PolarHBondContact NE-O 3.04Å; R647-E788 PolarHBondContact NH2-O 2.86Å; D786-E788 PolarHBondContact O-N 3.41Å; E788-Y790 PolarHBondContact O-N 2.8Å; E788-Y790 VanDerWaalsContact O-N 3.17Å; E788-R791 WeakPolarHBondContact O-CB 3.34Å; E788-R791 PolarHBondContact O-N 2.75Å; E788-R791 IonicContact OE1-CZ 3.7Å; E788-R791 IonicContact OE1-NH1 3.41Å; E788-R791 PolarHBondContact OE1-NH1 2.89Å; E788-R791 IonicContact OE1-NH2 3.57Å |
| 789 | D | 92.2 | Very high | 93.3 | Very high | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -52.5 | -40 | 177.2 | -67.1 | -19.1 | 0 | 0 | 0 | 112.1 | L644 H689 N787 | L644-D789 WeakPolarHBondContact CA-O 3.46Å; L644-D789 HydrophobicContact CD1-CB 4.27Å; L644-D789 PolarHBondContact N-O 2.76Å; H689-D789 IonicContact CE1-OD1 2.82Å; H689-D789 IonicContact CE1-OD2 3.38Å; H689-D789 IonicContact CG-OD2 3.37Å; H689-D789 VanDerWaalsContact ND1-CG 3.32Å; H689-D789 IonicContact ND1-OD1 3.47Å; H689-D789 PolarHBondContact ND1-OD1 2.99Å; H689-D789 IonicContact ND1-OD2 3.89Å; H689-D789 PolarHBondContact ND1-OD2 3.39Å; N787-D789 VanDerWaalsContact C-N 3.35Å; N787-D789 PolarHBondContact ND2-OD2 2.91Å; N787-D789 PolarHBondContact O-N 2.81Å; N787-D789 PolarHBondContact OD1-N 2.88Å |
| 790 | Y | 95.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -94.1 | -5.6 | -175.1 | -51.4 | -20.3 | 0 | 0 | 0 | 112.7 | N643 L644 T690 P692 H785 N787 E788 | N643-Y790 WeakPolarHBondContact CB-O 3.48Å; N643-Y790 PolarHBondContact ND2-O 2.8Å; L644-Y790 HydrophobicContact CB-CD1 4.35Å; L644-Y790 HydrophobicContact CD2-CE1 4.29Å; T690-Y790 WeakPolarHBondContact O-CE1 3.41Å; T690-Y790 PolarHBondContact O-OH 3.25Å; P692-Y790 HydrophobicContact CB-CD2 4.2Å; P692-Y790 HydrophobicContact CB-CE2 4.01Å; P692-Y790 HydrophobicContact CG-CD1 3.77Å; P692-Y790 HydrophobicContact CG-CD2 3.82Å; P692-Y790 HydrophobicContact CG-CE1 3.81Å; P692-Y790 HydrophobicContact CG-CE2 3.87Å; P692-Y790 HydrophobicContact CG-CG 3.81Å; H785-Y790 AromaticContact CE1-CD2 3.51Å; H785-Y790 AromaticContact ND1-CD2 3.77Å; H785-Y790 AromaticContact NE2-CD2 3.96Å; N787-Y790 HydrophobicContact CB-CD2 4.01Å; N787-Y790 HydrophobicContact CB-CE2 4.29Å; N787-Y790 HydrophobicContact CB-CG 4.45Å; N787-Y790 PolarHBondContact O-N 3.19Å; E788-Y790 PolarHBondContact O-N 2.8Å; E788-Y790 VanDerWaalsContact O-N 3.17Å |
| 791 | R | 95.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 19% | 0.185 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -78.1 | 137.8 | 179.5 | -169.9 | -177.1 | -60.3 | 146.6 | 6.2 | 110 | R647 H785 D786 N787 E788 C795 | R647-R791 PolarHBondContact NH2-O 2.76Å; H785-R791 HydrophobicContact CB-CB 4.4Å; H785-R791 PolarHBondContact O-NE 3.21Å; H785-R791 PolarHBondContact O-NH2 2.91Å; D786-R791 PolarHBondContact O-NH2 2.72Å; N787-R791 PolarHBondContact O-N 2.97Å; E788-R791 WeakPolarHBondContact O-CB 3.34Å; E788-R791 PolarHBondContact O-N 2.75Å; E788-R791 IonicContact OE1-CZ 3.7Å; E788-R791 IonicContact OE1-NH1 3.41Å; E788-R791 PolarHBondContact OE1-NH1 2.89Å; E788-R791 IonicContact OE1-NH2 3.57Å; R791-C795 HydrophobicContact CG-CB 3.88Å |
| 792 | G | 95.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | -57.8 | 136.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | N643 H780 E781 L783 K794 C795 | N643-G792 WeakPolarHBondContact ND2-CA 3.46Å; N643-G792 PolarHBondContact ND2-N 3.33Å; N643-G792 VanDerWaalsContact ND2-N 3.18Å; H780-G792 WeakPolarHBondContact O-CA 3.23Å; E781-G792 CarbonylContact O-C 3.53Å; E781-G792 WeakPolarHBondContact O-CA 3.43Å; L783-G792 PolarHBondContact O-N 2.73Å; G792-K794 PolarHBondContact O-N 2.84Å; G792-C795 VanDerWaalsContact O-CB 3.22Å; G792-C795 WeakPolarHBondContact O-CB 3.2Å; G792-C795 PolarHBondContact O-N 3.32Å | ||
| 793 | L | 92.7 | Very high | 93.1 | Very high | 65 Ų | 65 | 40.7 Ų | 40.7 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.7 | -173.9 | -70.5 | 172.2 | 0 | 0 | 0 | 114.1 | L646 R647 D650 E781 | L646-L793 HydrophobicContact CB-CD1 4.01Å; R647-L793 HydrophobicContact CB-CD2 4.06Å; R647-L793 HydrophobicContact CG-CD2 4.31Å; D650-L793 HydrophobicContact CB-CD1 4.43Å; E781-L793 PolarHBondContact O-N 3.16Å |
| 794 | K | 92.1 | Very high | 92.8 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 12.9 | 179.3 | -53.8 | 178.8 | -168.9 | 156 | 0 | 113.4 | E781 V782 G792 G796 T797 | E781-K794 CarbonylContact O-C 3.51Å; E781-K794 WeakPolarHBondContact O-CA 3.3Å; E781-K794 PolarHBondContact O-N 3.43Å; E781-K794 WeakPolarHBondContact OE2-CE 3.44Å; E781-K794 IonicContact OE2-NZ 3.04Å; E781-K794 PolarHBondContact OE2-NZ 3.17Å; V782-K794 HydrophobicContact CG1-CB 4.24Å; G792-K794 PolarHBondContact O-N 2.84Å; K794-G796 PolarHBondContact O-N 3.13Å; K794-T797 VanDerWaalsContact CA-OG1 3.32Å; K794-T797 WeakPolarHBondContact CA-OG1 3.25Å; K794-T797 PolarHBondContact O-OG1 3.23Å |
| 795 | C | 95 | Very high | 92.5 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.081 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 119.1 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | E781 V782 L783 Y784 R791 G792 T797 | E781-C795 PolarHBondContact O-N 3.15Å; V782-C795 PolarHBondContact O-SG 3.08Å; L783-C795 VanDerWaalsContact C-SG 3.57Å; Y784-C795 VanDerWaalsContact CA-SG 3.52Å; Y784-C795 PolarHBondContact N-SG 3.15Å; Y784-C795 VanDerWaalsContact N-SG 3.45Å; R791-C795 HydrophobicContact CG-CB 3.88Å; G792-C795 VanDerWaalsContact O-CB 3.22Å; G792-C795 WeakPolarHBondContact O-CB 3.2Å; G792-C795 PolarHBondContact O-N 3.32Å; C795-T797 PolarHBondContact O-N 3.04Å |
| 796 | G | 89.5 | Confident | 92.1 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 4.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K794 V826 V827 | K794-G796 PolarHBondContact O-N 3.13Å; G796-V826 VanDerWaalsContact C-CG1 3.46Å; G796-V826 VanDerWaalsContact O-CG1 3.31Å; G796-V826 WeakPolarHBondContact O-CG1 3.16Å; G796-V827 PolarHBondContact N-O 3.26Å |
| 797 | T | 89 | Confident | 91.7 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -98.9 | 154.6 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | K794 C795 | K794-T797 VanDerWaalsContact CA-OG1 3.32Å; K794-T797 WeakPolarHBondContact CA-OG1 3.25Å; K794-T797 PolarHBondContact O-OG1 3.23Å; C795-T797 PolarHBondContact O-N 3.04Å |
| 798 | A | 89.5 | Confident | 91 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 139.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L565 V826 | L565-A798 HydrophobicContact CD1-CB 4.24Å; A798-V826 HydrophobicContact CB-CG2 4.4Å |
| 799 | Q | 90.7 | Very high | 90 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 150.7 | 175.2 | 59.3 | 178.8 | -65.2 | 0 | 0 | 110.4 | R824 V825 | Q799-R824 WeakPolarHBondContact O-CA 3.43Å; Q799-V825 HydrophobicContact CG-CG2 3.93Å; Q799-V825 PolarHBondContact N-O 2.79Å; Q799-V825 PolarHBondContact O-N 3.2Å |
| 800 | T | 93.7 | Very high | 88.8 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.8 | -179.6 | -47.6 | 0 | 0 | 0 | 0 | 109.5 | Q822 L823 R824 P1203 | T800-Q822 HydrophobicContact CG2-CG 3.61Å; T800-L823 CarbonylContact C-O 3.54Å; T800-L823 WeakPolarHBondContact CA-O 3.38Å; T800-R824 PolarHBondContact OG1-NH1 3.2Å; T800-P1203 HydrophobicContact CG2-CG 3.81Å; T800-P1203 VanDerWaalsContact OG1-CD 3.23Å; T800-P1203 WeakPolarHBondContact OG1-CD 3.45Å |
| 801 | I | 94 | Very high | 87.2 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.1 | -176.3 | 60.6 | 176.1 | 0 | 0 | 0 | 110.9 | I763 H775 Q822 L823 V825 | I763-I801 HydrophobicContact CD1-CD1 3.68Å; H775-I801 HydrophobicContact CB-CD1 4.42Å; I801-Q822 WeakPolarHBondContact O-CA 3.42Å; I801-L823 HydrophobicContact CD1-CB 4.36Å; I801-L823 HydrophobicContact CD1-CD1 4.36Å; I801-L823 HydrophobicContact CG1-CB 3.87Å; I801-L823 HydrophobicContact CG1-CG 4.46Å; I801-L823 PolarHBondContact N-O 3.3Å; I801-L823 PolarHBondContact O-N 2.99Å; I801-V825 HydrophobicContact CD1-CG2 4.1Å; I801-V825 HydrophobicContact CG1-CG2 4.4Å |
| 802 | N | 94.3 | Very high | 85.4 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.1 | 171.1 | -63.9 | -43.4 | 0 | 0 | 0 | 108.7 | H775 I819 Q822 Q1224 | H775-N802 PolarHBondContact ND1-O 3.32Å; N802-I819 HydrophobicContact CB-CD1 4.42Å; N802-I819 HydrophobicContact CB-CG2 4.17Å; N802-Q822 WeakPolarHBondContact OD1-CG 3.41Å; N802-Q822 PolarHBondContact OD1-NE2 3.2Å; N802-Q1224 PolarHBondContact ND2-NE2 2.96Å; N802-Q1224 PolarHBondContact ND2-OE1 2.81Å; N802-Q1224 VanDerWaalsContact ND2-OE1 3.11Å |
| 803 | L | 94.8 | Very high | 83.5 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | -75.8 | 163.6 | 174.4 | -55.4 | -169 | 0 | 0 | 0 | 110.9 | F580 M765 A773 H775 P820 A821 L823 | F580-L803 HydrophobicContact CD1-CD1 4.42Å; F580-L803 HydrophobicContact CE1-CD1 4.01Å; M765-L803 HydrophobicContact CB-CD1 3.59Å; M765-L803 HydrophobicContact CG-CD1 4.34Å; M765-L803 HydrophobicContact SD-CD1 4.14Å; A773-L803 HydrophobicContact CB-CB 3.99Å; A773-L803 HydrophobicContact CB-CD1 4.31Å; H775-L803 HydrophobicContact CB-CD2 3.7Å; L803-P820 VanDerWaalsContact O-CD 3.24Å; L803-P820 WeakPolarHBondContact O-CD 3.42Å; L803-A821 HydrophobicContact CD1-CB 4.02Å; L803-A821 HydrophobicContact CG-CB 4.35Å; L803-A821 PolarHBondContact N-O 2.8Å; L803-L823 HydrophobicContact CD1-CD1 4.22Å; L803-L823 HydrophobicContact CD1-CG 4.49Å; L803-L823 HydrophobicContact CD2-CD1 3.93Å; L803-L823 HydrophobicContact CD2-CG 4.31Å; L803-L823 HydrophobicContact CG-CD1 4.31Å; L803-L823 HydrophobicContact CG-CG 4.34Å | ||
| 804 | K | 91 | Very high | 81.9 | Confident | 84 Ų | 84 | 59.9 Ų | 59.9 | 37% | 0.365 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -140 | 156.6 | 174.1 | 55.3 | 176.8 | 175.2 | 172.6 | 0 | 111.7 | A773 Y774 | A773-K804 CarbonylContact C-O 3.57Å; A773-K804 VanDerWaalsContact CA-O 3.26Å; A773-K804 WeakPolarHBondContact CA-O 3.38Å; A773-K804 WeakPolarHBondContact CB-O 3.45Å; Y774-K804 HydrophobicContact CD1-CG 4.29Å; Y774-K804 VanDerWaalsContact CD1-O 3.3Å; Y774-K804 WeakPolarHBondContact CD1-O 3.36Å; Y774-K804 HydrophobicContact CE1-CD 4.32Å; Y774-K804 HydrophobicContact CE1-CG 3.85Å; Y774-K804 PolarHBondContact N-O 3.48Å; Y774-K804 PolarHBondContact O-N 2.89Å; Y774-K804 VanDerWaalsContact OH-CE 3.24Å; Y774-K804 WeakPolarHBondContact OH-CE 3.42Å |
| 805 | K | 89 | Confident | 80.1 | Confident | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | trans | -81.5 | 152.5 | 173.7 | -58.6 | -178.9 | -163.2 | 165.2 | 0 | 109.9 | T807 E816 P820 | K805-T807 PolarHBondContact O-N 2.85Å; K805-E816 WeakPolarHBondContact CD-OE2 3.11Å; K805-E816 IonicContact NZ-OE1 2.79Å; K805-E816 PolarHBondContact NZ-OE1 3.21Å; K805-E816 IonicContact NZ-OE2 2.87Å; K805-P820 HydrophobicContact CG-CG 3.89Å | ||
| 806 | P | 87.2 | Confident | 78.7 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 7% | 0.071 | 33% | 0.328 | C | S | . | . | trans | -64 | 131.2 | 169.3 | -21.2 | 33.8 | 0 | 0 | 0 | 111.3 | P494 Y504 V515 Y774 | P494-P806 HydrophobicContact CG-CB 4.28Å; P494-P806 HydrophobicContact CG-CG 4.03Å; Y504-P806 HydrophobicContact CD1-CB 4.41Å; Y504-P806 HydrophobicContact CD2-CB 4.39Å; Y504-P806 HydrophobicContact CE1-CB 3.98Å; Y504-P806 VanDerWaalsContact CE1-O 3.27Å; Y504-P806 WeakPolarHBondContact CE1-O 3.36Å; Y504-P806 HydrophobicContact CE2-CB 3.88Å; Y504-P806 HydrophobicContact CE2-CG 4.4Å; Y504-P806 PolarHBondContact OH-O 3.33Å; Y504-P806 VanDerWaalsContact OH-O 3.09Å; V515-P806 HydrophobicContact CG1-CB 3.96Å; V515-P806 HydrophobicContact CG2-CB 4.2Å; V515-P806 HydrophobicContact CG2-CG 4.29Å; Y774-P806 HydrophobicContact CD1-CG 4.23Å; Y774-P806 HydrophobicContact CE1-CG 4.41Å | ||
| 807 | T | 81.9 | Confident | 78.1 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 31% | 0.307 | 33% | 0.327 | S | S | . | . | trans | -133.4 | 153.4 | -177.2 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | K805 | K805-T807 PolarHBondContact O-N 2.85Š| ||
| 808 | L | 78.2 | Confident | 77.8 | Confident | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | trans | -102.3 | 151.4 | 171.1 | -66.1 | 178.8 | 0 | 0 | 0 | 110.2 | K503 Y504 A506 L507 K810 D811 E812 | K503-L808 WeakPolarHBondContact O-CD1 3.43Å; Y504-L808 HydrophobicContact CD1-CD2 4.29Å; Y504-L808 HydrophobicContact CD1-CG 4.14Å; A506-L808 HydrophobicContact CB-CD2 4.17Å; L507-L808 HydrophobicContact CD2-CD2 3.79Å; L507-L808 HydrophobicContact CG-CD2 3.73Å; L808-K810 HydrophobicContact CB-CG 4.12Å; L808-K810 PolarHBondContact O-N 3.05Å; L808-D811 CarbonylContact O-C 3.59Å; L808-D811 WeakPolarHBondContact O-CA 3.37Å; L808-D811 PolarHBondContact O-N 3.44Å; L808-E812 PolarHBondContact O-N 3.16Å | ||
| 809 | L | 68.5 | Low | 77.7 | Confident | 98 Ų | 98 | 67.2 Ų | 67.2 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -35 | 177.2 | -83.8 | 161.9 | 0 | 0 | 0 | 114.4 | D811 | L809-D811 VanDerWaalsContact C-N 3.32Š|
| 810 | K | 66.3 | Low | 77.8 | Confident | 154 Ų | 154 | 67 Ų | 67 | 67% | 0.67 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -27.2 | 176.8 | 70.3 | -174.3 | -179.3 | -172.9 | 0 | 113.4 | L808 | L808-K810 HydrophobicContact CB-CG 4.12Å; L808-K810 PolarHBondContact O-N 3.05Å |
| 811 | D | 62 | Low | 77.8 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -14.7 | -177.3 | -68.2 | -68.6 | 0 | 0 | 0 | 112.2 | L808 L809 K813 K814 | L808-D811 CarbonylContact O-C 3.59Å; L808-D811 WeakPolarHBondContact O-CA 3.37Å; L808-D811 PolarHBondContact O-N 3.44Å; L809-D811 VanDerWaalsContact C-N 3.32Å; D811-K813 PolarHBondContact O-N 2.77Å; D811-K813 VanDerWaalsContact O-N 3.08Å; D811-K814 WeakPolarHBondContact O-CB 3.38Å; D811-K814 PolarHBondContact O-N 3.43Å; D811-K814 IonicContact OD1-NZ 3.61Å; D811-K814 PolarHBondContact OD1-NZ 2.98Å |
| 812 | E | 58.2 | Low | 77.8 | Confident | 115 Ų | 115 | 65.4 Ų | 65.4 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19 | 172.2 | -69.8 | -173.3 | 165.3 | 0 | 0 | 113.5 | L808 K814 | L808-E812 PolarHBondContact O-N 3.16Å; E812-K814 VanDerWaalsContact C-N 3.3Å |
| 813 | K | 56.3 | Low | 77.9 | Confident | 195 Ų | 195 | 63.6 Ų | 63.6 | 85% | 0.848 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.9 | 171.5 | -65.3 | -167.7 | 176 | -167.7 | 0 | 113.9 | D811 | D811-K813 PolarHBondContact O-N 2.77Å; D811-K813 VanDerWaalsContact O-N 3.08Å |
| 814 | K | 58 | Low | 77.9 | Confident | 137 Ų | 137 | 63.9 Ų | 63.9 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -85.9 | 126 | 175.2 | -68.4 | 172.9 | -179.5 | 158.6 | 0 | 109.3 | D811 E812 E816 | D811-K814 WeakPolarHBondContact O-CB 3.38Å; D811-K814 PolarHBondContact O-N 3.43Å; D811-K814 IonicContact OD1-NZ 3.61Å; D811-K814 PolarHBondContact OD1-NZ 2.98Å; E812-K814 VanDerWaalsContact C-N 3.3Å; K814-E816 PolarHBondContact O-N 3.12Å |
| 815 | P | 54.9 | Low | 78.1 | Confident | 84 Ų | 84 | 59.9 Ų | 59.9 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | trans | -77 | 78.8 | -175.4 | 31.8 | -36.8 | 0 | 0 | 0 | 112.6 | W817 | P815-W817 PolarHBondContact O-N 2.84Š| ||
| 816 | E | 65.9 | Low | 78.3 | Confident | 121 Ų | 121 | 57.7 Ų | 57.7 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | trans | -78.6 | 96.3 | 160.4 | -79.8 | -152.1 | 119.9 | 0 | 0 | 110 | K805 K814 | K805-E816 WeakPolarHBondContact CD-OE2 3.11Å; K805-E816 IonicContact NZ-OE1 2.79Å; K805-E816 PolarHBondContact NZ-OE1 3.21Å; K805-E816 IonicContact NZ-OE2 2.87Å; K814-E816 PolarHBondContact O-N 3.12Å | ||
| 817 | W | 76.4 | Confident | 78.7 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 21% | 0.212 | 27% | 0.273 | C | S | . | . | trans | -83 | -24.9 | 177.9 | 64.2 | -94.6 | 0 | 0 | 0 | 113.7 | P815 F1209 F1219 R1222 | P815-W817 PolarHBondContact O-N 2.84Å; W817-F1209 HydrophobicContact CE3-CZ 4.48Å; W817-F1209 AromaticContact CH2-CE1 3.44Å; W817-F1209 HydrophobicContact CH2-CE1 3.44Å; W817-F1209 VanDerWaalsContact CH2-CE1 3.44Å; W817-F1209 AromaticContact CH2-CZ 3.47Å; W817-F1209 HydrophobicContact CH2-CZ 3.47Å; W817-F1209 VanDerWaalsContact CH2-CZ 3.47Å; W817-F1209 AromaticContact CZ2-CE1 3.75Å; W817-F1209 HydrophobicContact CZ2-CE1 3.75Å; W817-F1209 HydrophobicContact CZ2-CZ 4.26Å; W817-F1209 AromaticContact CZ3-CE1 3.89Å; W817-F1209 HydrophobicContact CZ3-CE1 3.89Å; W817-F1209 AromaticContact CZ3-CZ 3.6Å; W817-F1209 HydrophobicContact CZ3-CZ 3.6Å; W817-F1219 HydrophobicContact CB-CD1 3.37Å; W817-F1219 HydrophobicContact CB-CD2 4.48Å; W817-F1219 HydrophobicContact CB-CE1 3.49Å; W817-F1219 VanDerWaalsContact CB-CE1 3.49Å; W817-F1219 HydrophobicContact CB-CG 3.9Å; W817-F1219 HydrophobicContact CB-CZ 4.09Å; W817-F1219 HydrophobicContact CD2-CB 3.67Å; W817-F1219 HydrophobicContact CD2-CD1 4.01Å; W817-F1219 AromaticContact CD2-CD2 3.7Å; W817-F1219 HydrophobicContact CD2-CD2 3.7Å; W817-F1219 HydrophobicContact CD2-CE2 4.26Å; W817-F1219 AromaticContact CD2-CG 3.52Å; W817-F1219 HydrophobicContact CD2-CG 3.52Å; W817-F1219 HydrophobicContact CE3-CB 4.26Å; W817-F1219 HydrophobicContact CE3-CD1 4.38Å; W817-F1219 AromaticContact CE3-CD2 3.41Å; W817-F1219 HydrophobicContact CE3-CD2 3.41Å; W817-F1219 VanDerWaalsContact CE3-CD2 3.41Å; W817-F1219 AromaticContact CE3-CE2 3.68Å; W817-F1219 HydrophobicContact CE3-CE2 3.68Å; W817-F1219 AromaticContact CE3-CG 3.78Å; W817-F1219 HydrophobicContact CE3-CG 3.78Å; W817-F1219 HydrophobicContact CE3-CZ 4.27Å; W817-F1219 HydrophobicContact CG-CB 3.76Å; W817-F1219 AromaticContact CG-CD1 3.56Å; W817-F1219 HydrophobicContact CG-CD1 3.56Å; W817-F1219 HydrophobicContact CG-CD2 4.17Å; W817-F1219 HydrophobicContact CG-CE1 4.12Å; W817-F1219 AromaticContact CG-CG 3.57Å; W817-F1219 HydrophobicContact CG-CG 3.57Å; W817-F1219 HydrophobicContact CZ2-CB 4.31Å; W817-F1219 AromaticContact CZ3-CD2 3.92Å; W817-F1219 HydrophobicContact CZ3-CD2 3.92Å; W817-F1219 HydrophobicContact CZ3-CE2 4.29Å; W817-R1222 VanDerWaalsContact O-CZ 3.22Å; W817-R1222 PolarHBondContact O-NH1 2.85Å; W817-R1222 PolarHBondContact O-NH2 2.85Å | ||
| 818 | K | 83.6 | Confident | 79.4 | Confident | 76 Ų | 76 | 55 Ų | 55 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | trans | -68.5 | 133.6 | -172.3 | -67.2 | -166.7 | 178.5 | -162.7 | 0 | 112.8 | E571 | E571-K818 HydrophobicContact CG-CD 4.35Å; E571-K818 WeakPolarHBondContact OE1-CD 3.49Å; E571-K818 WeakPolarHBondContact OE1-CE 3.26Å; E571-K818 IonicContact OE1-NZ 3.67Å; E571-K818 PolarHBondContact OE1-NZ 3.45Å | ||
| 819 | I | 87.8 | Confident | 80.3 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | trans | -81.5 | 129.1 | 168.8 | -64.6 | 164.2 | 0 | 0 | 0 | 108 | N802 A821 M1205 | N802-I819 HydrophobicContact CB-CD1 4.42Å; N802-I819 HydrophobicContact CB-CG2 4.17Å; I819-A821 VanDerWaalsContact CG2-O 3.22Å; I819-A821 WeakPolarHBondContact CG2-O 3.25Å; I819-M1205 HydrophobicContact CD1-CE 3.68Å | ||
| 820 | P | 91.3 | Very high | 81.6 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -69.5 | -37.4 | 177.1 | -22.4 | 35.4 | 0 | 0 | 0 | 113.8 | I570 M765 A773 L803 K805 | I570-P820 WeakPolarHBondContact CA-O 3.34Å; M765-P820 HydrophobicContact SD-CB 4.28Å; A773-P820 HydrophobicContact CB-CB 3.56Å; A773-P820 HydrophobicContact CB-CG 3.75Å; L803-P820 VanDerWaalsContact O-CD 3.24Å; L803-P820 WeakPolarHBondContact O-CD 3.42Å; K805-P820 HydrophobicContact CG-CG 3.89Å |
| 821 | A | 93.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -163.4 | 152.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I570 M765 L803 I819 L823 | I570-A821 HydrophobicContact CG1-CB 3.87Å; M765-A821 HydrophobicContact CE-CB 4.14Å; M765-A821 HydrophobicContact SD-CB 3.93Å; L803-A821 HydrophobicContact CD1-CB 4.02Å; L803-A821 HydrophobicContact CG-CB 4.35Å; L803-A821 PolarHBondContact N-O 2.8Å; I819-A821 VanDerWaalsContact CG2-O 3.22Å; I819-A821 WeakPolarHBondContact CG2-O 3.25Å; A821-L823 HydrophobicContact CB-CD2 4.23Å | ||
| 822 | Q | 95.2 | Very high | 84.2 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.7 | 166.8 | 176.8 | 172.5 | 98 | 0 | 0 | 109.3 | A567 T568 M569 T800 I801 N802 M1205 | A567-Q822 WeakPolarHBondContact CA-O 3.13Å; T568-Q822 PolarHBondContact N-O 3.34Å; T568-Q822 PolarHBondContact O-N 3.13Å; M569-Q822 HydrophobicContact CB-CB 3.96Å; M569-Q822 HydrophobicContact CG-CB 4.15Å; T800-Q822 HydrophobicContact CG2-CG 3.61Å; I801-Q822 WeakPolarHBondContact O-CA 3.42Å; N802-Q822 WeakPolarHBondContact OD1-CG 3.41Å; N802-Q822 PolarHBondContact OD1-NE2 3.2Å; Q822-M1205 PolarHBondContact NE2-SD 3.45Å |
| 823 | L | 96.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.7 | -179.7 | -45.3 | -177.8 | 0 | 0 | 0 | 109.9 | F564 A567 F580 I763 T800 I801 L803 A821 V825 | F564-L823 HydrophobicContact CE1-CD1 4.21Å; A567-L823 HydrophobicContact CB-CD2 3.58Å; F580-L823 HydrophobicContact CD1-CD1 3.84Å; F580-L823 HydrophobicContact CD1-CD2 4.22Å; F580-L823 HydrophobicContact CD2-CD2 4.33Å; F580-L823 HydrophobicContact CE1-CD1 3.97Å; F580-L823 HydrophobicContact CE1-CD2 3.57Å; F580-L823 HydrophobicContact CE1-CG 4.36Å; F580-L823 HydrophobicContact CE2-CD2 3.69Å; F580-L823 HydrophobicContact CG-CD1 4.2Å; F580-L823 HydrophobicContact CZ-CD1 4.41Å; F580-L823 HydrophobicContact CZ-CD2 3.28Å; F580-L823 HydrophobicContact CZ-CG 4.47Å; I763-L823 HydrophobicContact CG2-CD1 3.91Å; T800-L823 CarbonylContact C-O 3.54Å; T800-L823 WeakPolarHBondContact CA-O 3.38Å; I801-L823 HydrophobicContact CD1-CB 4.36Å; I801-L823 HydrophobicContact CD1-CD1 4.36Å; I801-L823 HydrophobicContact CG1-CB 3.87Å; I801-L823 HydrophobicContact CG1-CG 4.46Å; I801-L823 PolarHBondContact N-O 3.3Å; I801-L823 PolarHBondContact O-N 2.99Å; L803-L823 HydrophobicContact CD1-CD1 4.22Å; L803-L823 HydrophobicContact CD1-CG 4.49Å; L803-L823 HydrophobicContact CD2-CD1 3.93Å; L803-L823 HydrophobicContact CD2-CG 4.31Å; L803-L823 HydrophobicContact CG-CD1 4.31Å; L803-L823 HydrophobicContact CG-CG 4.34Å; A821-L823 HydrophobicContact CB-CD2 4.23Å; L823-V825 HydrophobicContact CB-CG1 4.09Å |
| 824 | R | 94.2 | Very high | 87.2 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.5 | 165.6 | -167.3 | 169.2 | 170.1 | 73.6 | -0.1 | 108.4 | L565 S566 Q799 T800 D1200 | L565-R824 WeakPolarHBondContact CB-O 3.48Å; L565-R824 HydrophobicContact CD1-CG 4.42Å; L565-R824 PolarHBondContact N-O 3.25Å; S566-R824 PolarHBondContact N-O 3.05Å; S566-R824 PolarHBondContact O-N 3.13Å; S566-R824 WeakPolarHBondContact OG-CB 3.45Å; Q799-R824 WeakPolarHBondContact O-CA 3.43Å; T800-R824 PolarHBondContact OG1-NH1 3.2Å; R824-D1200 IonicContact CZ-OD2 2.68Å; R824-D1200 IonicContact NH1-OD2 3.24Å; R824-D1200 PolarHBondContact NH1-OD2 3.17Å; R824-D1200 PolarHBondContact NH2-O 2.9Å; R824-D1200 IonicContact NH2-OD2 2.67Å; R824-D1200 PolarHBondContact NH2-OD2 2.88Å |
| 825 | V | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.6 | -169.8 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | V562 A563 F564 Q799 I801 L823 V827 | V562-V825 HydrophobicContact CG1-CB 4.14Å; V562-V825 HydrophobicContact CG1-CG1 4.26Å; A563-V825 CarbonylContact O-C 3.57Å; A563-V825 VanDerWaalsContact O-CA 3.25Å; A563-V825 WeakPolarHBondContact O-CA 3.09Å; F564-V825 HydrophobicContact CD1-CG1 3.73Å; F564-V825 HydrophobicContact CE1-CG1 4.13Å; F564-V825 HydrophobicContact CG-CG1 4.23Å; Q799-V825 HydrophobicContact CG-CG2 3.93Å; Q799-V825 PolarHBondContact N-O 2.79Å; Q799-V825 PolarHBondContact O-N 3.2Å; I801-V825 HydrophobicContact CD1-CG2 4.1Å; I801-V825 HydrophobicContact CG1-CG2 4.4Å; L823-V825 HydrophobicContact CB-CG1 4.09Å; V825-V827 HydrophobicContact CB-CG2 4.34Å; V825-V827 HydrophobicContact CG2-CG2 3.84Å |
| 826 | V | 93.6 | Very high | 89.8 | Confident | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.055 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.7 | 162.6 | -170.4 | 0 | 0 | 0 | 0 | 106.8 | V562 A563 L565 G796 A798 W838 | V562-V826 CarbonylContact C-O 3.46Å; V562-V826 VanDerWaalsContact CA-O 3.31Å; V562-V826 WeakPolarHBondContact CA-O 3.4Å; A563-V826 HydrophobicContact CB-CB 4.33Å; A563-V826 PolarHBondContact N-O 2.9Å; A563-V826 PolarHBondContact O-N 3.27Å; L565-V826 HydrophobicContact CD1-CG2 3.85Å; L565-V826 HydrophobicContact CD2-CG2 4.28Å; L565-V826 HydrophobicContact CG-CG2 4.17Å; G796-V826 VanDerWaalsContact C-CG1 3.46Å; G796-V826 VanDerWaalsContact O-CG1 3.31Å; G796-V826 WeakPolarHBondContact O-CG1 3.16Å; A798-V826 HydrophobicContact CB-CG2 4.4Å; V826-W838 HydrophobicContact CB-CH2 4.3Å; V826-W838 HydrophobicContact CB-CZ3 4.44Å; V826-W838 HydrophobicContact CG1-CH2 4.18Å; V826-W838 HydrophobicContact CG1-CZ3 3.86Å |
| 827 | V | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129 | -176 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | L560 V562 I761 I777 V782 G796 V825 | L560-V827 HydrophobicContact CD1-CG1 3.98Å; V562-V827 HydrophobicContact CG1-CG2 4.11Å; V562-V827 HydrophobicContact CG2-CG1 4.17Å; V562-V827 HydrophobicContact CG2-CG2 4.25Å; I761-V827 HydrophobicContact CD1-CG1 4.4Å; I777-V827 HydrophobicContact CD1-CG2 4.27Å; V782-V827 HydrophobicContact CB-CB 4.24Å; V782-V827 HydrophobicContact CB-CG1 3.76Å; V782-V827 HydrophobicContact CG1-CB 3.84Å; V782-V827 HydrophobicContact CG1-CG1 3.75Å; V782-V827 HydrophobicContact CG2-CG1 3.76Å; G796-V827 PolarHBondContact N-O 3.26Å; V825-V827 HydrophobicContact CB-CG2 4.34Å; V825-V827 HydrophobicContact CG2-CG2 3.84Å |
| 828 | W | 96.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 128.8 | 175.9 | -178.4 | 102.7 | 0 | 0 | 0 | 109.1 | Q559 L560 Y561 Y784 D834 W838 | Q559-W828 HydrophobicContact CB-CZ3 4.36Å; Q559-W828 WeakPolarHBondContact O-CZ3 3.24Å; L560-W828 WeakPolarHBondContact CA-O 3.41Å; Y561-W828 AromaticContact CD2-CE3 3.8Å; Y561-W828 HydrophobicContact CD2-CE3 3.8Å; Y561-W828 HydrophobicContact CD2-CZ3 4.12Å; Y561-W828 HydrophobicContact CE2-CE3 4.49Å; Y561-W828 HydrophobicContact CE2-CZ3 4.37Å; Y561-W828 PolarHBondContact N-O 3.35Å; Y561-W828 PolarHBondContact O-N 2.83Å; Y784-W828 AromaticContact CD1-CZ2 3.94Å; Y784-W828 HydrophobicContact CD1-CZ2 3.94Å; Y784-W828 HydrophobicContact CD2-CZ2 4.31Å; Y784-W828 AromaticContact CD2-NE1 3.28Å; Y784-W828 VanDerWaalsContact CD2-NE1 3.28Å; Y784-W828 AromaticContact CG-CE2 3.73Å; Y784-W828 AromaticContact CG-CZ2 3.68Å; Y784-W828 HydrophobicContact CG-CZ2 3.68Å; Y784-W828 AromaticContact CG-NE1 3.43Å; W828-D834 HydrophobicContact CZ2-CB 4.43Å; W828-D834 WeakPolarHBondContact CZ2-O 3.33Å; W828-W838 HydrophobicContact CB-CD2 4.31Å; W828-W838 HydrophobicContact CB-CE3 3.33Å; W828-W838 HydrophobicContact CB-CZ3 3.69Å; W828-W838 HydrophobicContact CD2-CB 4.07Å; W828-W838 HydrophobicContact CE3-CB 4.48Å; W828-W838 HydrophobicContact CG-CB 4.27Å; W828-W838 AromaticContact CG-CE3 3.83Å; W828-W838 HydrophobicContact CG-CE3 3.83Å |
| 829 | F | 97.2 | Very high | 91 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.6 | 176.5 | 176.7 | -117.2 | 0 | 0 | 0 | 109.2 | Y558 Q559 L560 I584 W632 I758 I761 A779 V782 L783 Y784 | Y558-F829 AromaticContact CD1-CE1 3.92Å; Y558-F829 HydrophobicContact CD1-CE1 3.92Å; Y558-F829 AromaticContact CD1-CE2 3.96Å; Y558-F829 HydrophobicContact CD1-CE2 3.96Å; Y558-F829 AromaticContact CD1-CZ 3.58Å; Y558-F829 HydrophobicContact CD1-CZ 3.58Å; Y558-F829 HydrophobicContact CE1-CE1 4.27Å; Y558-F829 HydrophobicContact CE1-CZ 4.28Å; Y558-F829 HydrophobicContact CG-CE2 4.04Å; Y558-F829 AromaticContact CG-CZ 3.82Å; Y558-F829 HydrophobicContact CG-CZ 3.82Å; Q559-F829 WeakPolarHBondContact O-CA 3.29Å; L560-F829 HydrophobicContact CB-CD2 4.03Å; L560-F829 HydrophobicContact CD1-CB 4.18Å; I584-F829 HydrophobicContact CD1-CD2 4.29Å; I584-F829 HydrophobicContact CD1-CE1 4.37Å; I584-F829 HydrophobicContact CD1-CE2 3.66Å; I584-F829 HydrophobicContact CD1-CZ 3.71Å; W632-F829 AromaticContact CD1-CZ 3.86Å; I758-F829 HydrophobicContact CD1-CE1 4.25Å; I758-F829 HydrophobicContact CG2-CE1 3.98Å; I758-F829 HydrophobicContact CG2-CZ 3.94Å; I761-F829 HydrophobicContact CD1-CB 4.3Å; A779-F829 HydrophobicContact CB-CD1 4.18Å; A779-F829 HydrophobicContact CB-CE1 4.06Å; V782-F829 HydrophobicContact CG2-CB 4.15Å; V782-F829 PolarHBondContact O-N 3.42Å; L783-F829 CarbonylContact C-O 3.6Å; L783-F829 VanDerWaalsContact CA-O 3.31Å; L783-F829 WeakPolarHBondContact CA-O 3.39Å; L783-F829 HydrophobicContact CD1-CD1 3.7Å; L783-F829 HydrophobicContact CD1-CE1 3.98Å; Y784-F829 PolarHBondContact N-O 2.83Å |
| 830 | G | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y558 Q559 | Y558-G830 CarbonylContact C-O 3.54Å; Y558-G830 VanDerWaalsContact CA-O 3.23Å; Y558-G830 WeakPolarHBondContact CA-O 3.32Å; Y558-G830 WeakPolarHBondContact CD1-O 3.47Å; Q559-G830 PolarHBondContact N-O 2.9Å; Q559-G830 PolarHBondContact O-N 2.9Å |
| 831 | L | 93.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.073 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 146.4 | 177.3 | -67.2 | 168 | 0 | 0 | 0 | 110.7 | R556 Y558 K833 D834 | R556-L831 HydrophobicContact CB-CD2 3.62Å; R556-L831 HydrophobicContact CG-CD2 4.37Å; Y558-L831 HydrophobicContact CD1-CD2 4.14Å; Y558-L831 HydrophobicContact CD1-CG 4.45Å; Y558-L831 HydrophobicContact CD2-CD2 4.03Å; Y558-L831 HydrophobicContact CE1-CD2 3.71Å; Y558-L831 HydrophobicContact CE1-CG 3.96Å; Y558-L831 HydrophobicContact CE2-CD2 3.59Å; Y558-L831 HydrophobicContact CG-CD2 4.28Å; Y558-L831 VanDerWaalsContact CZ-CD2 3.41Å; L831-K833 HydrophobicContact CB-CG 3.83Å; L831-K833 VanDerWaalsContact CD1-CE 3.45Å; L831-K833 PolarHBondContact O-N 3.07Å; L831-K833 VanDerWaalsContact O-N 3.09Å; L831-D834 WeakPolarHBondContact CB-OD2 3.43Å; L831-D834 PolarHBondContact O-N 2.61Å |
| 832 | E | 88.7 | Confident | 88.6 | Confident | 34 Ų | 34 | 30.6 Ų | 30.6 | 16% | 0.159 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -52.5 | -33.9 | 178.9 | -178.3 | -168.3 | -137.1 | 0 | 0 | 112.8 | K557 D834 R835 S1092 | K557-E832 HydrophobicContact CB-CB 3.91Å; K557-E832 VanDerWaalsContact CD-CD 3.42Å; K557-E832 WeakPolarHBondContact CD-OE1 3.43Å; K557-E832 WeakPolarHBondContact CD-OE2 3.36Å; K557-E832 IonicContact NZ-OE1 3.39Å; K557-E832 PolarHBondContact NZ-OE1 3.01Å; K557-E832 IonicContact NZ-OE2 2.75Å; K557-E832 PolarHBondContact NZ-OE2 3.47Å; K557-E832 PolarHBondContact O-N 3.13Å; E832-D834 VanDerWaalsContact C-N 3.29Å; E832-D834 PolarHBondContact O-N 3.14Å; E832-R835 WeakPolarHBondContact O-CB 3.47Å; E832-R835 VanDerWaalsContact O-CD 3.31Å; E832-R835 WeakPolarHBondContact O-CD 3.43Å; E832-R835 VanDerWaalsContact O-CG 3.25Å; E832-R835 WeakPolarHBondContact O-CG 3.46Å; E832-S1092 WeakPolarHBondContact OE1-CA 3.37Å; E832-S1092 WeakPolarHBondContact OE1-CB 3.41Å; E832-S1092 PolarHBondContact OE1-OG 3.32Å |
| 833 | K | 87.2 | Confident | 87.2 | Confident | 117 Ų | 117 | 36.4 Ų | 36.4 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -64.1 | -29.4 | 177 | 52.9 | 146.4 | -169.9 | 142.7 | 0 | 113.7 | L831 | L831-K833 HydrophobicContact CB-CG 3.83Å; L831-K833 VanDerWaalsContact CD1-CE 3.45Å; L831-K833 PolarHBondContact O-N 3.07Å; L831-K833 VanDerWaalsContact O-N 3.09Å |
| 834 | D | 90.4 | Very high | 86 | Confident | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -98.2 | 5 | -170.6 | -49.7 | -35.2 | 0 | 0 | 0 | 112.3 | Y784 W828 L831 E832 T836 A837 | Y784-D834 HydrophobicContact CD1-CB 3.73Å; Y784-D834 HydrophobicContact CE1-CB 3.67Å; W828-D834 HydrophobicContact CZ2-CB 4.43Å; W828-D834 WeakPolarHBondContact CZ2-O 3.33Å; L831-D834 WeakPolarHBondContact CB-OD2 3.43Å; L831-D834 PolarHBondContact O-N 2.61Å; E832-D834 VanDerWaalsContact C-N 3.29Å; E832-D834 PolarHBondContact O-N 3.14Å; D834-T836 PolarHBondContact O-N 3.49Å; D834-A837 WeakPolarHBondContact O-CB 3.15Å; D834-A837 PolarHBondContact O-N 2.78Å |
| 835 | R | 85.4 | Confident | 85.3 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.2 | -19.8 | 178.6 | 69.5 | -176.3 | -178 | 164.1 | 0.9 | 115.4 | E832 A837 W838 T839 S1088 T1091 | E832-R835 WeakPolarHBondContact O-CB 3.47Å; E832-R835 VanDerWaalsContact O-CD 3.31Å; E832-R835 WeakPolarHBondContact O-CD 3.43Å; E832-R835 VanDerWaalsContact O-CG 3.25Å; E832-R835 WeakPolarHBondContact O-CG 3.46Å; R835-A837 VanDerWaalsContact C-N 3.26Å; R835-A837 PolarHBondContact O-N 2.94Å; R835-W838 PolarHBondContact O-N 2.76Å; R835-T839 PolarHBondContact O-N 2.66Å; R835-T839 PolarHBondContact O-OG1 2.78Å; R835-T839 VanDerWaalsContact O-OG1 3.13Å; R835-S1088 PolarHBondContact NH2-O 2.8Å; R835-S1088 VanDerWaalsContact NH2-O 3.09Å; R835-T1091 PolarHBondContact NH1-O 2.82Å; R835-T1091 PolarHBondContact NH1-OG1 2.58Å; R835-T1091 PolarHBondContact NH2-OG1 2.71Å |
| 836 | T | 83.4 | Confident | 84.7 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 33% | 0.331 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -34.5 | 175.1 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | D834 W838 T839 E840 | D834-T836 PolarHBondContact O-N 3.49Å; T836-W838 VanDerWaalsContact C-N 3.33Å; T836-W838 PolarHBondContact O-N 3.47Å; T836-T839 CarbonylContact O-C 3.56Å; T836-T839 WeakPolarHBondContact O-CA 3.45Å; T836-T839 WeakPolarHBondContact O-CB 3.33Å; T836-T839 PolarHBondContact O-N 2.86Å; T836-E840 WeakPolarHBondContact O-CB 3.16Å; T836-E840 WeakPolarHBondContact O-CG 3.4Å; T836-E840 PolarHBondContact O-N 3.09Å |
| 837 | A | 87.1 | Confident | 84.2 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y784 D834 R835 S841 | Y784-A837 HydrophobicContact CD2-CB 4.12Å; Y784-A837 HydrophobicContact CE1-CB 4.15Å; Y784-A837 HydrophobicContact CE2-CB 3.44Å; Y784-A837 VanDerWaalsContact CE2-CB 3.44Å; Y784-A837 VanDerWaalsContact CZ-CB 3.47Å; D834-A837 WeakPolarHBondContact O-CB 3.15Å; D834-A837 PolarHBondContact O-N 2.78Å; R835-A837 VanDerWaalsContact C-N 3.26Å; R835-A837 PolarHBondContact O-N 2.94Å; A837-S841 VanDerWaalsContact O-CB 3.31Å; A837-S841 WeakPolarHBondContact O-CB 3.33Å; A837-S841 PolarHBondContact O-N 2.81Å; A837-S841 VanDerWaalsContact O-N 3.09Å; A837-S841 PolarHBondContact O-OG 2.93Å |
| 838 | W | 85.6 | Confident | 83.7 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 170 | 170.4 | -101.7 | 0 | 0 | 0 | 112 | Y561 A563 V826 W828 R835 T836 S841 H842 M1124 | Y561-W838 AromaticContact CD1-CD1 3.76Å; Y561-W838 HydrophobicContact CD1-CD2 4.47Å; Y561-W838 AromaticContact CD1-CE2 3.95Å; Y561-W838 HydrophobicContact CD1-CG 4.37Å; Y561-W838 AromaticContact CD1-NE1 3.48Å; Y561-W838 HydrophobicContact CD2-CB 4.43Å; Y561-W838 HydrophobicContact CD2-CD2 4.4Å; Y561-W838 HydrophobicContact CD2-CG 4.03Å; Y561-W838 AromaticContact CG-CD1 3.8Å; Y561-W838 AromaticContact CG-CD2 3.95Å; Y561-W838 HydrophobicContact CG-CD2 3.95Å; Y561-W838 AromaticContact CG-CE2 3.84Å; Y561-W838 AromaticContact CG-CG 3.94Å; Y561-W838 HydrophobicContact CG-CG 3.94Å; Y561-W838 HydrophobicContact CG-CZ2 4.46Å; Y561-W838 AromaticContact CG-NE1 3.73Å; A563-W838 HydrophobicContact CB-CH2 3.95Å; A563-W838 HydrophobicContact CB-CZ2 4.2Å; V826-W838 HydrophobicContact CB-CH2 4.3Å; V826-W838 HydrophobicContact CB-CZ3 4.44Å; V826-W838 HydrophobicContact CG1-CH2 4.18Å; V826-W838 HydrophobicContact CG1-CZ3 3.86Å; W828-W838 HydrophobicContact CB-CD2 4.31Å; W828-W838 HydrophobicContact CB-CE3 3.33Å; W828-W838 HydrophobicContact CB-CZ3 3.69Å; W828-W838 HydrophobicContact CD2-CB 4.07Å; W828-W838 HydrophobicContact CE3-CB 4.48Å; W828-W838 HydrophobicContact CG-CB 4.27Å; W828-W838 AromaticContact CG-CE3 3.83Å; W828-W838 HydrophobicContact CG-CE3 3.83Å; R835-W838 PolarHBondContact O-N 2.76Å; T836-W838 VanDerWaalsContact C-N 3.33Å; T836-W838 PolarHBondContact O-N 3.47Å; W838-S841 WeakPolarHBondContact CA-OG 3.36Å; W838-S841 PolarHBondContact O-OG 2.85Å; W838-H842 AromaticContact CD2-CE1 3.92Å; W838-H842 AromaticContact CE3-CE1 3.47Å; W838-H842 VanDerWaalsContact CE3-CE1 3.47Å; W838-H842 AromaticContact CH2-CE1 3.54Å; W838-H842 AromaticContact CH2-NE2 3.71Å; W838-H842 AromaticContact CZ2-CE1 3.94Å; W838-H842 AromaticContact CZ3-CE1 3.29Å; W838-H842 WeakPolarHBondContact CZ3-CE1 3.47Å; W838-H842 AromaticContact CZ3-NE2 3.84Å; W838-H842 PolarHBondContact O-ND1 3.25Å; W838-M1124 HydrophobicContact CZ2-CE 4.43Å |
| 839 | T | 77.3 | Confident | 83.4 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 52% | 0.515 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.3 | -36 | -176.2 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | R835 T836 | R835-T839 PolarHBondContact O-N 2.66Å; R835-T839 PolarHBondContact O-OG1 2.78Å; R835-T839 VanDerWaalsContact O-OG1 3.13Å; T836-T839 CarbonylContact O-C 3.56Å; T836-T839 WeakPolarHBondContact O-CA 3.45Å; T836-T839 WeakPolarHBondContact O-CB 3.33Å; T836-T839 PolarHBondContact O-N 2.86Å |
| 840 | E | 76.8 | Confident | 83 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -82.7 | -25.6 | -177.9 | -70.5 | 169 | -167.6 | 0 | 0 | 113.3 | T836 H842 N843 | T836-E840 WeakPolarHBondContact O-CB 3.16Å; T836-E840 WeakPolarHBondContact O-CG 3.4Å; T836-E840 PolarHBondContact O-N 3.09Å; E840-H842 PolarHBondContact O-N 2.86Å; E840-N843 PolarHBondContact O-ND2 2.8Å; E840-N843 VanDerWaalsContact O-ND2 3.09Å |
| 841 | S | 74.9 | Confident | 82.9 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.6 | 175.5 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | A837 W838 | A837-S841 VanDerWaalsContact O-CB 3.31Å; A837-S841 WeakPolarHBondContact O-CB 3.33Å; A837-S841 PolarHBondContact O-N 2.81Å; A837-S841 VanDerWaalsContact O-N 3.09Å; A837-S841 PolarHBondContact O-OG 2.93Å; W838-S841 WeakPolarHBondContact CA-OG 3.36Å; W838-S841 PolarHBondContact O-OG 2.85Å |
| 842 | H | 72 | Confident | 82.7 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 13% | 0.125 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 47.6 | -171.9 | -66.7 | 83 | 0 | 0 | 0 | 113.8 | W838 E840 E844 A845 M1124 | W838-H842 AromaticContact CD2-CE1 3.92Å; W838-H842 AromaticContact CE3-CE1 3.47Å; W838-H842 VanDerWaalsContact CE3-CE1 3.47Å; W838-H842 AromaticContact CH2-CE1 3.54Å; W838-H842 AromaticContact CH2-NE2 3.71Å; W838-H842 AromaticContact CZ2-CE1 3.94Å; W838-H842 AromaticContact CZ3-CE1 3.29Å; W838-H842 WeakPolarHBondContact CZ3-CE1 3.47Å; W838-H842 AromaticContact CZ3-NE2 3.84Å; W838-H842 PolarHBondContact O-ND1 3.25Å; E840-H842 PolarHBondContact O-N 2.86Å; H842-E844 PolarHBondContact O-N 3.06Å; H842-A845 PolarHBondContact O-N 3.06Å; H842-M1124 HydrophobicContact CB-CE 3.48Å; H842-M1124 VanDerWaalsContact CB-CE 3.48Å; H842-M1124 VanDerWaalsContact CD2-CE 3.46Å; H842-M1124 WeakPolarHBondContact CD2-CE 3.46Å; H842-M1124 VanDerWaalsContact CG-CE 3.46Å |
| 843 | N | 65.6 | Low | 82.8 | Confident | 134 Ų | 134 | 49 Ų | 49 | 72% | 0.717 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -29.5 | -172.9 | -73.1 | -59.1 | 0 | 0 | 0 | 116.3 | E840 | E840-N843 PolarHBondContact O-ND2 2.8Å; E840-N843 VanDerWaalsContact O-ND2 3.09Å |
| 844 | E | 71.5 | Confident | 83 | Confident | 53 Ų | 53 | 43.6 Ų | 43.6 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.7 | 177.5 | -64 | -158.7 | 171.5 | 0 | 0 | 114.7 | H842 R1127 T1128 G1192 D1193 | H842-E844 PolarHBondContact O-N 3.06Å; E844-R1127 WeakPolarHBondContact O-CG 3.45Å; E844-R1127 PolarHBondContact O-N 3.02Å; E844-T1128 PolarHBondContact OE2-OG1 3.12Å; E844-G1192 VanDerWaalsContact OE2-CA 3.31Å; E844-G1192 WeakPolarHBondContact OE2-CA 3.37Å; E844-D1193 PolarHBondContact OE2-N 3Å |
| 845 | A | 79.4 | Confident | 83.1 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H842 M1124 R1125 F1126 | H842-A845 PolarHBondContact O-N 3.06Å; A845-M1124 HydrophobicContact CB-CB 4.48Å; A845-M1124 HydrophobicContact CB-CE 3.67Å; A845-R1125 CarbonylContact C-O 3.54Å; A845-R1125 WeakPolarHBondContact CA-O 3.41Å; A845-F1126 HydrophobicContact CB-CD1 3.87Å; A845-F1126 HydrophobicContact CB-CD2 4.14Å; A845-F1126 HydrophobicContact CB-CE1 3.84Å; A845-F1126 HydrophobicContact CB-CE2 4.09Å; A845-F1126 HydrophobicContact CB-CG 4.02Å; A845-F1126 HydrophobicContact CB-CZ 3.95Å |
| 846 | K | 80.8 | Confident | 83.4 | Confident | 145 Ų | 145 | 41.3 Ų | 41.3 | 63% | 0.63 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.1 | 173.4 | -169.6 | 177.5 | 178.8 | -177.6 | 0 | 109.7 | Q848 R1125 | K846-Q848 PolarHBondContact O-N 3.01Å; K846-R1125 PolarHBondContact N-O 3.06Å; K846-R1125 PolarHBondContact O-N 3.39Å |
| 847 | L | 84.3 | Confident | 83.8 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 121 | 167 | -164.1 | 76 | 0 | 0 | 0 | 109.2 | C625 V849 I1122 M1124 | C625-L847 HydrophobicContact CB-CD1 4.5Å; L847-V849 HydrophobicContact CD2-CG2 4.46Å; L847-I1122 HydrophobicContact CD1-CG2 3.45Å; L847-I1122 VanDerWaalsContact CD1-CG2 3.45Å; L847-I1122 HydrophobicContact CD2-CG2 4.47Å; L847-I1122 HydrophobicContact CG-CG2 3.92Å; L847-M1124 HydrophobicContact CB-SD 4.06Å; L847-M1124 HydrophobicContact CD1-CG 4.2Å; L847-M1124 HydrophobicContact CD1-SD 3.48Å; L847-M1124 WeakPolarHBondContact CD1-SD 3.26Å; L847-M1124 HydrophobicContact CG-SD 4.41Å |
| 848 | Q | 85.6 | Confident | 83.9 | Confident | 52 Ų | 52 | 39 Ų | 39 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117 | 178.3 | 179.9 | 171.3 | -16.7 | 0 | 0 | 109.3 | K846 V850 I1122 F1123 | K846-Q848 PolarHBondContact O-N 3.01Å; Q848-V850 HydrophobicContact CG-CG1 4.09Å; Q848-I1122 WeakPolarHBondContact O-CA 3.44Å; Q848-F1123 PolarHBondContact N-O 2.79Å; Q848-F1123 PolarHBondContact O-N 2.82Å |
| 849 | V | 89 | Confident | 83.9 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.2 | 178.8 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | L847 W896 A1081 L1082 P1120 I1122 | L847-V849 HydrophobicContact CD2-CG2 4.46Å; V849-W896 HydrophobicContact CB-CH2 4.45Å; V849-W896 HydrophobicContact CB-CZ3 4.18Å; V849-W896 HydrophobicContact CG1-CH2 4.43Å; V849-W896 HydrophobicContact CG1-CZ3 4.31Å; V849-W896 HydrophobicContact CG2-CH2 4.06Å; V849-W896 HydrophobicContact CG2-CZ3 4.2Å; V849-A1081 WeakPolarHBondContact O-CA 3.46Å; V849-L1082 HydrophobicContact CB-CG 4.15Å; V849-L1082 HydrophobicContact CG1-CD1 3.84Å; V849-L1082 HydrophobicContact CG1-CD2 4.09Å; V849-L1082 HydrophobicContact CG1-CG 3.77Å; V849-L1082 PolarHBondContact O-N 3.48Å; V849-P1120 HydrophobicContact CG1-CB 3.58Å; V849-P1120 HydrophobicContact CG1-CG 3.66Å; V849-I1122 HydrophobicContact CG1-CG1 4.45Å; V849-I1122 HydrophobicContact CG2-CG1 4.42Å; V849-I1122 HydrophobicContact CG2-CG2 4.31Å |
| 850 | V | 90.1 | Very high | 84 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.8 | -178.7 | -63 | 0 | 0 | 0 | 0 | 111.7 | Q848 H1079 R1080 A1081 P1120 R1121 F1123 | Q848-V850 HydrophobicContact CG-CG1 4.09Å; V850-H1079 HydrophobicContact CB-CB 4.39Å; V850-R1080 CarbonylContact C-O 3.55Å; V850-R1080 WeakPolarHBondContact CA-O 3.31Å; V850-A1081 HydrophobicContact CG1-CB 4.36Å; V850-P1120 CarbonylContact O-C 3.47Å; V850-P1120 VanDerWaalsContact O-CA 3.24Å; V850-P1120 WeakPolarHBondContact O-CA 3.17Å; V850-P1120 WeakPolarHBondContact O-CB 3.34Å; V850-R1121 HydrophobicContact CG2-CB 3.99Å; V850-R1121 PolarHBondContact N-O 3.04Å; V850-R1121 PolarHBondContact O-N 3.07Å; V850-F1123 HydrophobicContact CG2-CD2 4.31Å; V850-F1123 HydrophobicContact CG2-CE2 3.91Å |
| 851 | A | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 140.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | W898 W902 H1079 R1080 L1082 L1096 | A851-W898 HydrophobicContact CB-CH2 3.55Å; A851-W898 HydrophobicContact CB-CZ3 3.64Å; A851-W902 HydrophobicContact CB-CH2 3.86Å; A851-W902 HydrophobicContact CB-CZ3 4.43Å; A851-H1079 VanDerWaalsContact O-CA 3.28Å; A851-H1079 WeakPolarHBondContact O-CA 3.36Å; A851-R1080 PolarHBondContact N-O 3.41Å; A851-R1080 PolarHBondContact O-N 3.29Å; A851-R1080 VanDerWaalsContact O-N 3.09Å; A851-L1082 HydrophobicContact CB-CD2 4.11Å; A851-L1082 VanDerWaalsContact N-CD2 3.29Å; A851-L1096 HydrophobicContact CB-CD1 3.64Å |
| 852 | E | 90.7 | Very high | 83.7 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.2 | -178.1 | 177.9 | 169.4 | 111 | 0 | 0 | 110.6 | Y854 L885 R1077 W1078 H1079 R1121 | E852-Y854 HydrophobicContact CG-CD2 4.46Å; E852-Y854 HydrophobicContact CG-CE2 3.71Å; E852-Y854 WeakPolarHBondContact OE1-CE2 3.48Å; E852-Y854 PolarHBondContact OE1-OH 2.92Å; E852-L885 WeakPolarHBondContact O-CD2 3.21Å; E852-R1077 HydrophobicContact CG-CG 4.03Å; E852-R1077 WeakPolarHBondContact OE2-CD 3.28Å; E852-R1077 IonicContact OE2-CZ 3.11Å; E852-R1077 IonicContact OE2-NE 3.17Å; E852-R1077 IonicContact OE2-NH1 3.01Å; E852-R1077 PolarHBondContact OE2-NH1 2.64Å; E852-W1078 WeakPolarHBondContact CA-O 3.26Å; E852-H1079 IonicContact OE2-CD2 3.47Å; E852-H1079 IonicContact OE2-CE1 3.31Å; E852-H1079 IonicContact OE2-NE2 3.77Å; E852-H1079 PolarHBondContact OE2-NE2 3.43Å; E852-R1121 VanDerWaalsContact CD-NE 3.33Å; E852-R1121 IonicContact OE1-CZ 2.93Å; E852-R1121 VanDerWaalsContact OE1-CZ 3.29Å; E852-R1121 IonicContact OE1-NE 3.13Å; E852-R1121 PolarHBondContact OE1-NE 2.85Å; E852-R1121 VanDerWaalsContact OE1-NE 3.14Å; E852-R1121 IonicContact OE1-NH2 2.66Å; E852-R1121 PolarHBondContact OE1-NH2 2.97Å; E852-R1121 VanDerWaalsContact OE1-NH2 3.12Å; E852-R1121 VanDerWaalsContact OE2-CD 3.23Å; E852-R1121 WeakPolarHBondContact OE2-CD 3.34Å; E852-R1121 IonicContact OE2-CZ 2.67Å; E852-R1121 IonicContact OE2-NE 2.68Å; E852-R1121 PolarHBondContact OE2-NE 2.89Å; E852-R1121 IonicContact OE2-NH1 3.98Å; E852-R1121 IonicContact OE2-NH2 2.81Å |
| 853 | T | 91.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 158.3 | 168.7 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | W876 S877 L885 K887 W902 W1078 | T853-W876 HydrophobicContact CG2-CE3 3.9Å; T853-W876 HydrophobicContact CG2-CZ3 4.08Å; T853-S877 CarbonylContact C-O 3.57Å; T853-S877 WeakPolarHBondContact CA-O 3.38Å; T853-S877 PolarHBondContact OG1-O 3.2Å; T853-L885 PolarHBondContact OG1-O 2.89Å; T853-K887 HydrophobicContact CG2-CD 4.26Å; T853-K887 HydrophobicContact CG2-CG 3.52Å; T853-W902 HydrophobicContact CG2-CE3 4.34Å; T853-W902 HydrophobicContact CG2-CH2 3.9Å; T853-W902 HydrophobicContact CG2-CZ3 3.75Å; T853-W1078 HydrophobicContact CG2-CB 4.01Å; T853-W1078 PolarHBondContact N-O 3.12Å; T853-W1078 PolarHBondContact O-N 3.15Å |
| 854 | Y | 90.5 | Very high | 85.2 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.9 | -179.5 | -66.1 | -107.5 | 0 | 0 | 0 | 109.4 | E852 W876 S877 D878 N879 R1075 R1076 R1077 | E852-Y854 HydrophobicContact CG-CD2 4.46Å; E852-Y854 HydrophobicContact CG-CE2 3.71Å; E852-Y854 WeakPolarHBondContact OE1-CE2 3.48Å; E852-Y854 PolarHBondContact OE1-OH 2.92Å; Y854-W876 CarbonylContact O-C 3.6Å; Y854-W876 VanDerWaalsContact O-CA 3.25Å; Y854-W876 WeakPolarHBondContact O-CA 3.3Å; Y854-S877 PolarHBondContact N-O 2.87Å; Y854-S877 PolarHBondContact O-N 2.69Å; Y854-D878 WeakPolarHBondContact CD2-O 3.23Å; Y854-N879 HydrophobicContact CD2-CB 4.28Å; Y854-N879 HydrophobicContact CE2-CB 3.45Å; Y854-N879 VanDerWaalsContact CE2-CB 3.45Å; Y854-R1075 HydrophobicContact CD1-CG 4.34Å; Y854-R1076 CarbonylContact C-O 3.49Å; Y854-R1076 WeakPolarHBondContact CA-O 3.28Å; Y854-R1077 HydrophobicContact CD1-CB 3.89Å; Y854-R1077 HydrophobicContact CD1-CG 4.24Å; Y854-R1077 HydrophobicContact CE1-CB 3.59Å; Y854-R1077 HydrophobicContact CE1-CG 3.72Å; Y854-R1077 HydrophobicContact CE2-CG 3.98Å; Y854-R1077 VanDerWaalsContact CZ-CD 3.45Å; Y854-R1077 WeakPolarHBondContact OH-CD 3.43Å |
| 855 | E | 91.7 | Very high | 85.9 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 129.5 | 168.5 | -168.9 | -178.8 | 152.2 | 0 | 0 | 108.8 | Q857 W876 W1053 R1075 R1076 W1078 | E855-Q857 PolarHBondContact OE1-NE2 2.96Å; E855-W876 HydrophobicContact CB-CD2 4.42Å; E855-W876 HydrophobicContact CB-CE3 4.03Å; E855-W876 HydrophobicContact CB-CH2 3.47Å; E855-W876 VanDerWaalsContact CB-CH2 3.47Å; E855-W876 HydrophobicContact CB-CZ2 3.95Å; E855-W876 HydrophobicContact CB-CZ3 3.56Å; E855-W876 HydrophobicContact CG-CD2 4.43Å; E855-W876 HydrophobicContact CG-CH2 3.6Å; E855-W876 HydrophobicContact CG-CZ2 3.55Å; E855-W876 HydrophobicContact CG-CZ3 4.13Å; E855-W876 VanDerWaalsContact OE2-CH2 3.31Å; E855-W876 WeakPolarHBondContact OE2-CH2 3.32Å; E855-W1053 HydrophobicContact CB-CH2 4.24Å; E855-W1053 HydrophobicContact CB-CZ3 4.49Å; E855-W1053 HydrophobicContact CG-CH2 3.93Å; E855-W1053 WeakPolarHBondContact OE1-CH2 3.44Å; E855-R1075 CarbonylContact O-C 3.57Å; E855-R1075 WeakPolarHBondContact O-CA 3.32Å; E855-R1075 WeakPolarHBondContact O-CB 3.46Å; E855-R1076 HydrophobicContact CB-CG 3.91Å; E855-R1076 PolarHBondContact N-O 3.47Å; E855-R1076 PolarHBondContact O-N 3.14Å; E855-R1076 IonicContact OE1-NH2 3.56Å; E855-R1076 PolarHBondContact OE1-NH2 3.07Å; E855-R1076 IonicContact OE2-CZ 3.76Å; E855-R1076 IonicContact OE2-NE 2.68Å; E855-R1076 PolarHBondContact OE2-NE 3.43Å; E855-R1076 IonicContact OE2-NH2 3.45Å; E855-R1076 PolarHBondContact OE2-NH2 2.84Å; E855-W1078 PolarHBondContact OE2-NE1 2.84Å |
| 856 | N | 92.7 | Very high | 86 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.5 | -175.1 | -66.1 | -37.4 | 0 | 0 | 0 | 111.7 | L871 P874 S875 S877 F1059 R1075 | N856-L871 HydrophobicContact CB-CD1 4.4Å; N856-P874 VanDerWaalsContact CB-O 3.26Å; N856-P874 WeakPolarHBondContact CB-O 3.22Å; N856-P874 PolarHBondContact ND2-O 2.85Å; N856-S875 PolarHBondContact N-O 3.3Å; N856-S877 WeakPolarHBondContact ND2-CB 3.09Å; N856-S877 PolarHBondContact ND2-OG 3.36Å; N856-F1059 HydrophobicContact CB-CE1 3.97Å; N856-F1059 HydrophobicContact CB-CZ 3.82Å; N856-R1075 VanDerWaalsContact OD1-CB 3.23Å; N856-R1075 WeakPolarHBondContact OD1-CB 3.37Å |
| 857 | Q | 91.6 | Very high | 85.6 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 151.8 | 178 | -59.4 | -175.2 | -4.3 | 0 | 0 | 110.5 | E855 W864 V865 T866 W1053 V1073 R1074 | E855-Q857 PolarHBondContact OE1-NE2 2.96Å; Q857-W864 HydrophobicContact CB-CB 4.43Å; Q857-W864 HydrophobicContact CB-CE3 4.41Å; Q857-V865 WeakPolarHBondContact CA-O 3.43Å; Q857-T866 HydrophobicContact CG-CG2 3.83Å; Q857-W1053 HydrophobicContact CG-CH2 3.73Å; Q857-W1053 HydrophobicContact CG-CZ3 4.06Å; Q857-W1053 VanDerWaalsContact NE2-CH2 3.27Å; Q857-V1073 WeakPolarHBondContact O-CA 3.47Å; Q857-R1074 HydrophobicContact CB-CG 3.96Å; Q857-R1074 PolarHBondContact N-O 3.43Å; Q857-R1074 PolarHBondContact O-N 3.42Å |
| 858 | A | 89.4 | Confident | 84.4 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V865 P870 L871 M1072 | A858-V865 PolarHBondContact N-O 2.76Å; A858-V865 PolarHBondContact O-N 3.16Å; A858-P870 HydrophobicContact CB-CG 4.5Å; A858-L871 HydrophobicContact CB-CB 4.29Å; A858-L871 HydrophobicContact CB-CD1 3.73Å; A858-M1072 CarbonylContact C-O 3.59Å; A858-M1072 WeakPolarHBondContact CA-O 3.33Å |
| 859 | S | 84.8 | Confident | 82.9 | Confident | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.3 | 177.7 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | M1072 | S859-M1072 PolarHBondContact N-O 3.05Å |
| 860 | I | 79.3 | Confident | 81.6 | Confident | 69 Ų | 69 | 52.5 Ų | 52.5 | 35% | 0.354 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.4 | 168.8 | -30.7 | 177.1 | 0 | 0 | 0 | 108.7 | G862 N863 V865 P870 | I860-G862 PolarHBondContact O-N 2.98Å; I860-G862 VanDerWaalsContact O-N 3.17Å; I860-N863 PolarHBondContact N-O 2.74Å; I860-N863 PolarHBondContact O-N 3.16Å; I860-V865 HydrophobicContact CD1-CG2 3.41Å; I860-V865 VanDerWaalsContact CD1-CG2 3.41Å; I860-V865 HydrophobicContact CG1-CG2 3.67Å; I860-P870 HydrophobicContact CD1-CG 3.7Å; I860-P870 HydrophobicContact CG1-CG 3.64Å |
| 861 | V | 75.2 | Confident | 80.7 | Confident | 141 Ų | 141 | 52.8 Ų | 52.8 | 86% | 0.855 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39.7 | -178.3 | -154.7 | 0 | 0 | 0 | 0 | 111.6 | N863 | V861-N863 VanDerWaalsContact C-N 3.3Å; V861-N863 PolarHBondContact O-N 2.68Å; V861-N863 PolarHBondContact O-ND2 3.05Å |
| 862 | G | 71.7 | Confident | 79.9 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 64% | 0.639 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 2.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | I860 | I860-G862 PolarHBondContact O-N 2.98Å; I860-G862 VanDerWaalsContact O-N 3.17Å |
| 863 | N | 82.1 | Confident | 79.5 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 57% | 0.572 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.6 | 177.6 | -66.4 | -76.5 | 0 | 0 | 0 | 111.3 | I860 V861 | I860-N863 PolarHBondContact N-O 2.74Å; I860-N863 PolarHBondContact O-N 3.16Å; V861-N863 VanDerWaalsContact C-N 3.3Å; V861-N863 PolarHBondContact O-N 2.68Å; V861-N863 PolarHBondContact O-ND2 3.05Å |
| 864 | W | 86.6 | Confident | 79.2 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.3 | 175.8 | -65.3 | 109.1 | 0 | 0 | 0 | 111.7 | Q857 Y1055 E1067 D1071 V1073 R1074 | Q857-W864 HydrophobicContact CB-CB 4.43Å; Q857-W864 HydrophobicContact CB-CE3 4.41Å; W864-Y1055 HydrophobicContact CH2-CD1 4.09Å; W864-Y1055 AromaticContact CZ2-CD1 3.66Å; W864-Y1055 HydrophobicContact CZ2-CD1 3.66Å; W864-Y1055 AromaticContact CZ2-CE1 3.84Å; W864-Y1055 HydrophobicContact CZ2-CE1 3.84Å; W864-E1067 HydrophobicContact CZ2-CG 4.36Å; W864-E1067 WeakPolarHBondContact CZ2-OE1 3.25Å; W864-E1067 PolarHBondContact NE1-OE1 3.03Å; W864-D1071 HydrophobicContact CH2-CB 4.04Å; W864-D1071 WeakPolarHBondContact CH2-O 3.4Å; W864-D1071 HydrophobicContact CZ2-CB 4.4Å; W864-V1073 VanDerWaalsContact CZ3-C 3.4Å; W864-R1074 HydrophobicContact CD2-CG 3.86Å; W864-R1074 HydrophobicContact CE3-CB 4.27Å; W864-R1074 HydrophobicContact CE3-CG 3.59Å; W864-R1074 HydrophobicContact CG-CG 4.48Å; W864-R1074 VanDerWaalsContact CG-NE 3.33Å; W864-R1074 HydrophobicContact CH2-CB 4.14Å; W864-R1074 HydrophobicContact CH2-CG 4.32Å; W864-R1074 HydrophobicContact CZ3-CB 4Å; W864-R1074 HydrophobicContact CZ3-CG 3.84Å |
| 865 | V | 84.8 | Confident | 79.1 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 26% | 0.255 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.1 | -179.1 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | Q857 A858 I860 K867 | Q857-V865 WeakPolarHBondContact CA-O 3.43Å; A858-V865 PolarHBondContact N-O 2.76Å; A858-V865 PolarHBondContact O-N 3.16Å; I860-V865 HydrophobicContact CD1-CG2 3.41Å; I860-V865 VanDerWaalsContact CD1-CG2 3.41Å; I860-V865 HydrophobicContact CG1-CG2 3.67Å; V865-K867 HydrophobicContact CG2-CB 4.5Å |
| 866 | T | 82 | Confident | 79 | Confident | 63 Ų | 63 | 61 Ų | 61 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | trans | -91.6 | 2.9 | 177.2 | 49.3 | 0 | 0 | 0 | 0 | 114 | Q857 | Q857-T866 HydrophobicContact CG-CG2 3.83Š| ||
| 867 | K | 72.7 | Confident | 78.8 | Confident | 156 Ų | 156 | 61 Ų | 61 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 138.9 | -173 | -67.7 | -175.7 | 179.7 | 178.3 | 0 | 112.5 | V865 P869 L871 | V865-K867 HydrophobicContact CG2-CB 4.5Å; K867-P869 CarbonylContact O-C 3.47Å; K867-P869 VanDerWaalsContact O-C 3.28Å; K867-L871 WeakPolarHBondContact O-CB 3.41Å; K867-L871 PolarHBondContact O-N 3.49Å |
| 868 | R | 58.6 | Low | 78.4 | Confident | 145 Ų | 145 | 61.1 Ų | 61.1 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 134.7 | 167.2 | -71.6 | -175.3 | 156.1 | 172.3 | -15.5 | 110 | L871 R873 P874 | R868-L871 HydrophobicContact CG-CB 4.2Å; R868-L871 WeakPolarHBondContact CG-O 3.14Å; R868-R873 PolarHBondContact NE-O 2.79Å; R868-R873 PolarHBondContact NH2-O 3Å; R868-P874 VanDerWaalsContact NH2-N 3.16Å |
| 869 | P | 55.1 | Low | 77.7 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 79% | 0.786 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -63.7 | 163.9 | -23.8 | -11.9 | 28.8 | 0 | 0 | 0 | 110.7 | K867 | K867-P869 CarbonylContact O-C 3.47Å; K867-P869 VanDerWaalsContact O-C 3.28Å |
| 870 | P | 61.3 | Low | 77.3 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 38% | 0.383 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -102.8 | 5.9 | 10.9 | 38.1 | -32.3 | 0 | 0 | 0 | 114.6 | A858 I860 T872 | A858-P870 HydrophobicContact CB-CG 4.5Å; I860-P870 HydrophobicContact CD1-CG 3.7Å; I860-P870 HydrophobicContact CG1-CG 3.64Å; P870-T872 PolarHBondContact O-N 2.82Å |
| 871 | L | 71.2 | Confident | 77.1 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | trans | -58.7 | 108 | 176.1 | -169 | 76.2 | 0 | 0 | 0 | 110.5 | N856 A858 K867 R868 R873 F1059 | N856-L871 HydrophobicContact CB-CD1 4.4Å; A858-L871 HydrophobicContact CB-CB 4.29Å; A858-L871 HydrophobicContact CB-CD1 3.73Å; K867-L871 WeakPolarHBondContact O-CB 3.41Å; K867-L871 PolarHBondContact O-N 3.49Å; R868-L871 HydrophobicContact CG-CB 4.2Å; R868-L871 WeakPolarHBondContact CG-O 3.14Å; L871-R873 VanDerWaalsContact CD2-O 3.28Å; L871-R873 WeakPolarHBondContact CD2-O 3.19Å; L871-R873 VanDerWaalsContact CG-O 3.28Å; L871-R873 WeakPolarHBondContact CG-O 3.49Å; L871-R873 PolarHBondContact O-N 3.02Å; L871-F1059 HydrophobicContact CD1-CE2 3.78Å; L871-F1059 HydrophobicContact CD1-CZ 3.82Å | ||
| 872 | T | 73.7 | Confident | 77.3 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -77.7 | -3.2 | -177.7 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | P870 | P870-T872 PolarHBondContact O-N 2.82Š|
| 873 | R | 82.3 | Confident | 77.7 | Confident | 40 Ų | 40 | 65 Ų | 65 | 15% | 0.151 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -123.4 | 170.3 | 178.3 | -66.8 | -49.5 | -174.2 | -101.8 | -3.3 | 110.3 | R868 L871 G881 F1059 D1060 | R868-R873 PolarHBondContact NE-O 2.79Å; R868-R873 PolarHBondContact NH2-O 3Å; L871-R873 VanDerWaalsContact CD2-O 3.28Å; L871-R873 WeakPolarHBondContact CD2-O 3.19Å; L871-R873 VanDerWaalsContact CG-O 3.28Å; L871-R873 WeakPolarHBondContact CG-O 3.49Å; L871-R873 PolarHBondContact O-N 3.02Å; R873-G881 VanDerWaalsContact CB-O 3.22Å; R873-G881 WeakPolarHBondContact CB-O 2.85Å; R873-G881 WeakPolarHBondContact CD-O 3.42Å; R873-G881 VanDerWaalsContact CG-O 3.31Å; R873-G881 WeakPolarHBondContact CG-O 3.26Å; R873-F1059 HydrophobicContact CB-CD1 4.35Å; R873-F1059 HydrophobicContact CB-CD2 3.92Å; R873-F1059 HydrophobicContact CB-CE1 4.34Å; R873-F1059 HydrophobicContact CB-CE2 3.9Å; R873-F1059 HydrophobicContact CB-CG 4.18Å; R873-F1059 HydrophobicContact CB-CZ 4.14Å; R873-F1059 HydrophobicContact CG-CB 3.78Å; R873-F1059 HydrophobicContact CG-CD1 3.84Å; R873-F1059 HydrophobicContact CG-CD2 3.36Å; R873-F1059 HydrophobicContact CG-CE1 4.32Å; R873-F1059 HydrophobicContact CG-CE2 3.89Å; R873-F1059 HydrophobicContact CG-CG 3.36Å; R873-F1059 HydrophobicContact CG-CZ 4.36Å; R873-D1060 IonicContact CZ-OD1 3.62Å; R873-D1060 IonicContact CZ-OD2 3Å; R873-D1060 IonicContact NH2-OD1 3.69Å; R873-D1060 PolarHBondContact NH2-OD1 3.48Å; R873-D1060 IonicContact NH2-OD2 2.79Å; R873-D1060 PolarHBondContact NH2-OD2 2.93Å |
| 874 | P | 86 | Confident | 77.9 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.032 | 32% | 0.324 | C | S | . | . | trans | -68.6 | 154.9 | 173.1 | -18 | 33.6 | 0 | 0 | 0 | 110.8 | N856 R868 W876 G881 E884 | N856-P874 VanDerWaalsContact CB-O 3.26Å; N856-P874 WeakPolarHBondContact CB-O 3.22Å; N856-P874 PolarHBondContact ND2-O 2.85Å; R868-P874 VanDerWaalsContact NH2-N 3.16Å; P874-W876 WeakPolarHBondContact CB-O 3.36Å; P874-W876 PolarHBondContact O-N 3.2Å; P874-G881 WeakPolarHBondContact CD-O 3.33Å; P874-E884 HydrophobicContact CB-CB 3.65Å; P874-E884 HydrophobicContact CB-CG 3.75Å; P874-E884 HydrophobicContact CG-CB 3.76Å; P874-E884 HydrophobicContact CG-CG 4.41Å | ||
| 875 | S | 88.3 | Confident | 77.9 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -72 | -18.2 | 178.5 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | N856 | N856-S875 PolarHBondContact N-O 3.3Š|
| 876 | W | 90.2 | Very high | 78 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129.8 | 168.5 | -71.1 | 91.5 | 0 | 0 | 0 | 108.5 | T853 Y854 E855 P874 E884 L885 P886 K887 W1078 | T853-W876 HydrophobicContact CG2-CE3 3.9Å; T853-W876 HydrophobicContact CG2-CZ3 4.08Å; Y854-W876 CarbonylContact O-C 3.6Å; Y854-W876 VanDerWaalsContact O-CA 3.25Å; Y854-W876 WeakPolarHBondContact O-CA 3.3Å; E855-W876 HydrophobicContact CB-CD2 4.42Å; E855-W876 HydrophobicContact CB-CE3 4.03Å; E855-W876 HydrophobicContact CB-CH2 3.47Å; E855-W876 VanDerWaalsContact CB-CH2 3.47Å; E855-W876 HydrophobicContact CB-CZ2 3.95Å; E855-W876 HydrophobicContact CB-CZ3 3.56Å; E855-W876 HydrophobicContact CG-CD2 4.43Å; E855-W876 HydrophobicContact CG-CH2 3.6Å; E855-W876 HydrophobicContact CG-CZ2 3.55Å; E855-W876 HydrophobicContact CG-CZ3 4.13Å; E855-W876 VanDerWaalsContact OE2-CH2 3.31Å; E855-W876 WeakPolarHBondContact OE2-CH2 3.32Å; P874-W876 WeakPolarHBondContact CB-O 3.36Å; P874-W876 PolarHBondContact O-N 3.2Å; W876-E884 CarbonylContact O-C 3.08Å; W876-E884 WeakPolarHBondContact O-CA 3.34Å; W876-L885 PolarHBondContact O-N 3.25Å; W876-P886 HydrophobicContact CB-CB 4.31Å; W876-P886 HydrophobicContact CB-CG 4.44Å; W876-P886 HydrophobicContact CG-CB 4.5Å; W876-K887 HydrophobicContact CD2-CG 4.49Å; W876-K887 HydrophobicContact CE3-CD 4.24Å; W876-K887 HydrophobicContact CE3-CG 3.83Å; W876-K887 HydrophobicContact CH2-CD 3.7Å; W876-K887 HydrophobicContact CH2-CG 4.16Å; W876-K887 VanDerWaalsContact CH2-NZ 3.28Å; W876-K887 HydrophobicContact CZ2-CD 4.48Å; W876-K887 HydrophobicContact CZ3-CD 3.51Å; W876-K887 HydrophobicContact CZ3-CG 3.63Å; W876-W1078 AromaticContact CH2-CD1 3.83Å; W876-W1078 AromaticContact CH2-CE2 3.94Å; W876-W1078 HydrophobicContact CH2-CG 4.42Å; W876-W1078 HydrophobicContact CH2-CZ2 4.47Å; W876-W1078 AromaticContact CH2-NE1 3.45Å; W876-W1078 AromaticContact CZ3-CD1 3.45Å; W876-W1078 VanDerWaalsContact CZ3-CD1 3.45Å; W876-W1078 HydrophobicContact CZ3-CG 4.01Å; W876-W1078 AromaticContact CZ3-NE1 3.6Å |
| 877 | S | 88.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 173.1 | -174.8 | 72.5 | 0 | 0 | 0 | 0 | 116 | T853 Y854 N856 G881 I883 | T853-S877 CarbonylContact C-O 3.57Å; T853-S877 WeakPolarHBondContact CA-O 3.38Å; T853-S877 PolarHBondContact OG1-O 3.2Å; Y854-S877 PolarHBondContact N-O 2.87Å; Y854-S877 PolarHBondContact O-N 2.69Å; N856-S877 WeakPolarHBondContact ND2-CB 3.09Å; N856-S877 PolarHBondContact ND2-OG 3.36Å; S877-G881 WeakPolarHBondContact OG-CA 3.34Å; S877-I883 CarbonylContact C-O 3.28Å; S877-I883 WeakPolarHBondContact CA-O 3.3Å; S877-I883 WeakPolarHBondContact CB-O 3.28Å |
| 878 | D | 81.9 | Confident | 78.7 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | trans | -66.6 | -178.7 | 158.8 | 79.4 | -57.2 | 0 | 0 | 0 | 112.6 | Y854 T880 G881 R882 I883 | Y854-D878 WeakPolarHBondContact CD2-O 3.23Å; D878-T880 VanDerWaalsContact C-N 3.32Å; D878-T880 VanDerWaalsContact CG-OG1 3.25Å; D878-T880 PolarHBondContact O-N 3.07Å; D878-T880 PolarHBondContact OD1-OG1 3.38Å; D878-T880 VanDerWaalsContact OD2-CB 3.24Å; D878-T880 WeakPolarHBondContact OD2-CB 2.87Å; D878-T880 VanDerWaalsContact OD2-CG2 3.3Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.11Å; D878-T880 PolarHBondContact OD2-N 3.38Å; D878-T880 PolarHBondContact OD2-OG1 2.67Å; D878-G881 PolarHBondContact O-N 2.72Å; D878-G881 VanDerWaalsContact O-N 3.16Å; D878-G881 PolarHBondContact OD1-N 2.79Å; D878-R882 PolarHBondContact OD1-N 3.04Å; D878-I883 HydrophobicContact CB-CB 4.13Å; D878-I883 PolarHBondContact N-O 3.12Å; D878-I883 VanDerWaalsContact N-O 3.12Å; D878-I883 PolarHBondContact OD1-N 3.26Å | ||
| 879 | N | 76.3 | Confident | 79.9 | Confident | 61 Ų | 61 | 54.5 Ų | 54.5 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.8 | -178.1 | 72.5 | 43.5 | 0 | 0 | 0 | 114.8 | Y854 G881 R1075 | Y854-N879 HydrophobicContact CD2-CB 4.28Å; Y854-N879 HydrophobicContact CE2-CB 3.45Å; Y854-N879 VanDerWaalsContact CE2-CB 3.45Å; N879-G881 PolarHBondContact O-N 2.73Å; N879-R1075 PolarHBondContact O-NH1 2.95Å |
| 880 | T | 75.2 | Confident | 81.4 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -11.3 | 175.4 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | D878 R882 | D878-T880 VanDerWaalsContact C-N 3.32Å; D878-T880 VanDerWaalsContact CG-OG1 3.25Å; D878-T880 PolarHBondContact O-N 3.07Å; D878-T880 PolarHBondContact OD1-OG1 3.38Å; D878-T880 VanDerWaalsContact OD2-CB 3.24Å; D878-T880 WeakPolarHBondContact OD2-CB 2.87Å; D878-T880 VanDerWaalsContact OD2-CG2 3.3Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.11Å; D878-T880 PolarHBondContact OD2-N 3.38Å; D878-T880 PolarHBondContact OD2-OG1 2.67Å; T880-R882 VanDerWaalsContact C-N 3.26Å; T880-R882 PolarHBondContact O-N 3.3Å; T880-R882 WeakPolarHBondContact OG1-CB 3.47Å; T880-R882 PolarHBondContact OG1-N 2.78Å |
| 881 | G | 76.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 80 | -1.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R873 P874 S877 D878 N879 | R873-G881 VanDerWaalsContact CB-O 3.22Å; R873-G881 WeakPolarHBondContact CB-O 2.85Å; R873-G881 WeakPolarHBondContact CD-O 3.42Å; R873-G881 VanDerWaalsContact CG-O 3.31Å; R873-G881 WeakPolarHBondContact CG-O 3.26Å; P874-G881 WeakPolarHBondContact CD-O 3.33Å; S877-G881 WeakPolarHBondContact OG-CA 3.34Å; D878-G881 PolarHBondContact O-N 2.72Å; D878-G881 VanDerWaalsContact O-N 3.16Å; D878-G881 PolarHBondContact OD1-N 2.79Å; N879-G881 PolarHBondContact O-N 2.73Å |
| 882 | R | 79.6 | Confident | 83 | Confident | 165 Ų | 165 | 51.3 Ų | 51.3 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | trans | -100.1 | -40.2 | -163.7 | -63 | 177.8 | 180 | -166.4 | -2.9 | 113.6 | D878 T880 D1060 | D878-R882 PolarHBondContact OD1-N 3.04Å; T880-R882 VanDerWaalsContact C-N 3.26Å; T880-R882 PolarHBondContact O-N 3.3Å; T880-R882 WeakPolarHBondContact OG1-CB 3.47Å; T880-R882 PolarHBondContact OG1-N 2.78Å; R882-D1060 IonicContact NH2-OD1 3.45Å | ||
| 883 | I | 79.7 | Confident | 83.1 | Confident | 92 Ų | 92 | 48 Ų | 48 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -88.3 | 130.6 | -176.2 | -57.9 | 171.8 | 0 | 0 | 0 | 108.4 | S877 D878 L885 | S877-I883 CarbonylContact C-O 3.28Å; S877-I883 WeakPolarHBondContact CA-O 3.3Å; S877-I883 WeakPolarHBondContact CB-O 3.28Å; D878-I883 HydrophobicContact CB-CB 4.13Å; D878-I883 PolarHBondContact N-O 3.12Å; D878-I883 VanDerWaalsContact N-O 3.12Å; D878-I883 PolarHBondContact OD1-N 3.26Å; I883-L885 PolarHBondContact O-N 2.94Å |
| 884 | E | 86 | Confident | 82.9 | Confident | 98 Ų | 98 | 51.7 Ų | 51.7 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -76 | 119.5 | -179.7 | -176.2 | 155.8 | -167.1 | 0 | 0 | 111.2 | P874 W876 P886 | P874-E884 HydrophobicContact CB-CB 3.65Å; P874-E884 HydrophobicContact CB-CG 3.75Å; P874-E884 HydrophobicContact CG-CB 3.76Å; P874-E884 HydrophobicContact CG-CG 4.41Å; W876-E884 CarbonylContact O-C 3.08Å; W876-E884 WeakPolarHBondContact O-CA 3.34Å; E884-P886 HydrophobicContact CG-CG 4.13Å |
| 885 | L | 85.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | trans | -134.5 | 63.2 | -169.4 | -150.3 | 83.6 | 0 | 0 | 0 | 114.2 | E852 T853 W876 I883 I890 I1098 T1118 | E852-L885 WeakPolarHBondContact O-CD2 3.21Å; T853-L885 PolarHBondContact OG1-O 2.89Å; W876-L885 PolarHBondContact O-N 3.25Å; I883-L885 PolarHBondContact O-N 2.94Å; L885-I890 HydrophobicContact CD2-CD1 4.19Å; L885-I890 HydrophobicContact CG-CD1 4.19Å; L885-I1098 HydrophobicContact CD1-CD1 3.42Å; L885-I1098 VanDerWaalsContact CD1-CD1 3.42Å; L885-I1098 HydrophobicContact CD1-CG1 3.95Å; L885-T1118 HydrophobicContact CD1-CG2 3.91Å; L885-T1118 HydrophobicContact CD2-CG2 4.37Å | ||
| 886 | P | 86.9 | Confident | 82.3 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 20% | 0.195 | 27% | 0.268 | C | S | . | . | trans | -65 | 136.6 | -175.6 | -18.3 | 32.4 | 0 | 0 | 0 | 113.3 | W876 E884 D888 S889 | W876-P886 HydrophobicContact CB-CB 4.31Å; W876-P886 HydrophobicContact CB-CG 4.44Å; W876-P886 HydrophobicContact CG-CB 4.5Å; E884-P886 HydrophobicContact CG-CG 4.13Å; P886-D888 PolarHBondContact O-N 2.93Å; P886-D888 VanDerWaalsContact O-N 3.09Å; P886-S889 WeakPolarHBondContact O-CB 3.18Å; P886-S889 PolarHBondContact O-N 2.77Å | ||
| 887 | K | 86.3 | Confident | 82.2 | Confident | 37 Ų | 37 | 54 Ų | 54 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -39.1 | -179.3 | -76.5 | -170 | -57 | -165.7 | 0 | 114.4 | T853 W876 W902 W1078 | T853-K887 HydrophobicContact CG2-CD 4.26Å; T853-K887 HydrophobicContact CG2-CG 3.52Å; W876-K887 HydrophobicContact CD2-CG 4.49Å; W876-K887 HydrophobicContact CE3-CD 4.24Å; W876-K887 HydrophobicContact CE3-CG 3.83Å; W876-K887 HydrophobicContact CH2-CD 3.7Å; W876-K887 HydrophobicContact CH2-CG 4.16Å; W876-K887 VanDerWaalsContact CH2-NZ 3.28Å; W876-K887 HydrophobicContact CZ2-CD 4.48Å; W876-K887 HydrophobicContact CZ3-CD 3.51Å; W876-K887 HydrophobicContact CZ3-CG 3.63Å; K887-W902 HydrophobicContact CB-CD2 4.36Å; K887-W902 HydrophobicContact CB-CZ2 4.19Å; K887-W902 HydrophobicContact CD-CB 4.03Å; K887-W902 HydrophobicContact CD-CD2 3.7Å; K887-W902 HydrophobicContact CD-CE3 4.12Å; K887-W902 HydrophobicContact CD-CG 3.67Å; K887-W902 HydrophobicContact CG-CD2 3.87Å; K887-W902 HydrophobicContact CG-CE3 4.27Å; K887-W902 HydrophobicContact CG-CG 4.24Å; K887-W902 HydrophobicContact CG-CZ2 4.11Å; K887-W902 PolarHBondContact O-NE1 2.78Å; K887-W1078 HydrophobicContact CD-CB 4.36Å; K887-W1078 HydrophobicContact CD-CD2 4.19Å; K887-W1078 HydrophobicContact CD-CE3 4.38Å; K887-W1078 HydrophobicContact CD-CG 4.21Å |
| 888 | D | 83 | Confident | 82.3 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 75% | 0.754 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8.3 | -176.2 | -52.7 | -46 | 0 | 0 | 0 | 113.5 | P886 | P886-D888 PolarHBondContact O-N 2.93Å; P886-D888 VanDerWaalsContact O-N 3.09Å |
| 889 | S | 85.7 | Confident | 82.5 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -17.2 | 175.7 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | P886 Q891 R1099 | P886-S889 WeakPolarHBondContact O-CB 3.18Å; P886-S889 PolarHBondContact O-N 2.77Å; S889-Q891 PolarHBondContact O-N 2.93Å; S889-R1099 PolarHBondContact O-N 3.15Å |
| 890 | I | 86.1 | Confident | 83 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.046 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115 | -178.3 | -60.3 | 172.9 | 0 | 0 | 0 | 109.9 | L885 W898 W902 L1096 Q1097 | L885-I890 HydrophobicContact CD2-CD1 4.19Å; L885-I890 HydrophobicContact CG-CD1 4.19Å; I890-W898 HydrophobicContact CB-CZ2 4.44Å; I890-W898 HydrophobicContact CG2-CH2 3.91Å; I890-W898 HydrophobicContact CG2-CZ2 3.92Å; I890-W902 HydrophobicContact CD1-CH2 3.76Å; I890-W902 HydrophobicContact CD1-CZ2 3.89Å; I890-L1096 HydrophobicContact CG2-CB 4.05Å; I890-L1096 HydrophobicContact CG2-CD1 4.02Å; I890-L1096 HydrophobicContact CG2-CD2 4.46Å; I890-L1096 HydrophobicContact CG2-CG 4.41Å; I890-Q1097 CarbonylContact C-O 3.59Å; I890-Q1097 WeakPolarHBondContact CA-O 3.41Å |
| 891 | Q | 83.7 | Confident | 83.7 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.4 | 173.3 | -61.2 | -167 | -111.4 | 0 | 0 | 110.5 | S889 Q1097 R1099 | S889-Q891 PolarHBondContact O-N 2.93Å; Q891-Q1097 HydrophobicContact CB-CB 4.29Å; Q891-Q1097 PolarHBondContact N-O 2.83Å; Q891-Q1097 PolarHBondContact O-N 3.12Å; Q891-R1099 HydrophobicContact CG-CG 3.9Å |
| 892 | L | 81.9 | Confident | 84.4 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.199 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 143.2 | 171.7 | -65.6 | 174.2 | 0 | 0 | 0 | 111 | W896 E897 W898 L1082 L1096 | L892-W896 HydrophobicContact CB-CB 4.23Å; L892-W896 HydrophobicContact CD1-CB 4.48Å; L892-W896 HydrophobicContact CD2-CB 4.45Å; L892-E897 VanDerWaalsContact CD1-CA 3.47Å; L892-W898 HydrophobicContact CD1-CB 4.41Å; L892-W898 HydrophobicContact CD1-CD2 3.77Å; L892-W898 HydrophobicContact CD1-CE3 4.45Å; L892-W898 HydrophobicContact CD1-CG 3.7Å; L892-W898 HydrophobicContact CD2-CD2 3.91Å; L892-W898 HydrophobicContact CD2-CE3 3.94Å; L892-W898 HydrophobicContact CD2-CH2 3.78Å; L892-W898 HydrophobicContact CD2-CZ2 3.72Å; L892-W898 HydrophobicContact CD2-CZ3 3.89Å; L892-W898 HydrophobicContact CG-CD2 3.97Å; L892-W898 HydrophobicContact CG-CG 4.37Å; L892-W898 HydrophobicContact CG-CH2 4.45Å; L892-W898 HydrophobicContact CG-CZ2 3.88Å; L892-L1082 HydrophobicContact CD2-CB 3.93Å; L892-L1082 HydrophobicContact CD2-CD1 3.96Å; L892-L1082 HydrophobicContact CD2-CG 4.43Å; L892-L1096 HydrophobicContact CD2-CD2 3.85Å |
| 893 | P | 76.6 | Confident | 84.8 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 16% | 0.156 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 162.6 | 167.4 | 26 | -32.3 | 0 | 0 | 0 | 111.6 | G895 W896 S1093 V1095 | P893-G895 PolarHBondContact O-N 2.85Å; P893-W896 HydrophobicContact CG-CG 4.17Å; P893-W896 PolarHBondContact O-N 2.82Å; P893-S1093 VanDerWaalsContact CG-O 3.3Å; P893-S1093 WeakPolarHBondContact CG-O 3.33Å; P893-V1095 WeakPolarHBondContact CD-O 3.5Å; P893-V1095 VanDerWaalsContact CG-O 3.31Å; P893-V1095 WeakPolarHBondContact CG-O 3.4Å |
| 894 | T | 77.7 | Confident | 85 | Confident | 118 Ų | 118 | 56.5 Ų | 56.5 | 72% | 0.724 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 138.1 | 176.7 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | W896 | T894-W896 VanDerWaalsContact C-N 3.34Å; T894-W896 PolarHBondContact O-N 2.86Å |
| 895 | G | 76.6 | Confident | 84.8 | Confident | 17 Ų | 17 | 53 Ų | 53 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -4.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P893 P1084 K1085 T1091 | P893-G895 PolarHBondContact O-N 2.85Å; G895-P1084 CarbonylContact O-C 3.59Å; G895-P1084 WeakPolarHBondContact O-CA 3.49Å; G895-K1085 WeakPolarHBondContact O-CB 3.25Å; G895-K1085 PolarHBondContact O-N 2.72Å; G895-T1091 VanDerWaalsContact C-CG2 3.46Å; G895-T1091 WeakPolarHBondContact O-CG2 3.5Å |
| 896 | W | 83.9 | Confident | 84.2 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 8% | 0.08 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 152.1 | 175.6 | -67.8 | 78.9 | 0 | 0 | 0 | 113.3 | V849 L892 P893 T894 L1082 A1083 K1085 S1093 C1094 | V849-W896 HydrophobicContact CB-CH2 4.45Å; V849-W896 HydrophobicContact CB-CZ3 4.18Å; V849-W896 HydrophobicContact CG1-CH2 4.43Å; V849-W896 HydrophobicContact CG1-CZ3 4.31Å; V849-W896 HydrophobicContact CG2-CH2 4.06Å; V849-W896 HydrophobicContact CG2-CZ3 4.2Å; L892-W896 HydrophobicContact CB-CB 4.23Å; L892-W896 HydrophobicContact CD1-CB 4.48Å; L892-W896 HydrophobicContact CD2-CB 4.45Å; P893-W896 HydrophobicContact CG-CG 4.17Å; P893-W896 PolarHBondContact O-N 2.82Å; T894-W896 VanDerWaalsContact C-N 3.34Å; T894-W896 PolarHBondContact O-N 2.86Å; W896-L1082 HydrophobicContact CD2-CD1 4.15Å; W896-L1082 HydrophobicContact CE3-CB 4.1Å; W896-L1082 HydrophobicContact CE3-CD1 3.64Å; W896-L1082 HydrophobicContact CE3-CG 4.09Å; W896-L1082 HydrophobicContact CZ3-CD1 3.99Å; W896-L1082 HydrophobicContact CZ3-CG 4.27Å; W896-A1083 CarbonylContact C-O 3.46Å; W896-A1083 WeakPolarHBondContact CA-O 3.28Å; W896-K1085 WeakPolarHBondContact O-CE 3.45Å; W896-K1085 PolarHBondContact O-NZ 2.66Å; W896-S1093 PolarHBondContact NE1-O 2.85Å; W896-C1094 HydrophobicContact CH2-CB 4.21Å; W896-C1094 HydrophobicContact CZ2-CB 3.76Å |
| 897 | E | 88.3 | Confident | 83.6 | Confident | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 157.8 | 170.2 | 54.9 | 178.5 | -150 | 0 | 0 | 113.2 | L892 L1082 A1083 K1085 | L892-E897 VanDerWaalsContact CD1-CA 3.47Å; E897-L1082 VanDerWaalsContact O-CA 3.22Å; E897-L1082 WeakPolarHBondContact O-CA 3.43Å; E897-L1082 WeakPolarHBondContact O-CB 2.85Å; E897-A1083 PolarHBondContact N-O 2.88Å; E897-A1083 PolarHBondContact O-N 2.85Å; E897-K1085 HydrophobicContact CB-CD 4.41Å; E897-K1085 HydrophobicContact CB-CG 3.72Å; E897-K1085 HydrophobicContact CG-CG 3.74Å |
| 898 | W | 89.9 | Confident | 82.7 | Confident | 68 Ų | 68 | 54.3 Ų | 54.3 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.7 | 173.5 | -70.5 | 123.2 | 0 | 0 | 0 | 110 | A851 I890 L892 W902 R1080 L1082 | A851-W898 HydrophobicContact CB-CH2 3.55Å; A851-W898 HydrophobicContact CB-CZ3 3.64Å; I890-W898 HydrophobicContact CB-CZ2 4.44Å; I890-W898 HydrophobicContact CG2-CH2 3.91Å; I890-W898 HydrophobicContact CG2-CZ2 3.92Å; L892-W898 HydrophobicContact CD1-CB 4.41Å; L892-W898 HydrophobicContact CD1-CD2 3.77Å; L892-W898 HydrophobicContact CD1-CE3 4.45Å; L892-W898 HydrophobicContact CD1-CG 3.7Å; L892-W898 HydrophobicContact CD2-CD2 3.91Å; L892-W898 HydrophobicContact CD2-CE3 3.94Å; L892-W898 HydrophobicContact CD2-CH2 3.78Å; L892-W898 HydrophobicContact CD2-CZ2 3.72Å; L892-W898 HydrophobicContact CD2-CZ3 3.89Å; L892-W898 HydrophobicContact CG-CD2 3.97Å; L892-W898 HydrophobicContact CG-CG 4.37Å; L892-W898 HydrophobicContact CG-CH2 4.45Å; L892-W898 HydrophobicContact CG-CZ2 3.88Å; W898-W902 HydrophobicContact CH2-CZ2 4.41Å; W898-R1080 HydrophobicContact CD2-CG 4.23Å; W898-R1080 HydrophobicContact CE3-CB 4.09Å; W898-R1080 VanDerWaalsContact CE3-CD 3.48Å; W898-R1080 HydrophobicContact CE3-CG 3.57Å; W898-R1080 HydrophobicContact CZ3-CB 3.93Å; W898-R1080 HydrophobicContact CZ3-CG 3.95Å; W898-L1082 HydrophobicContact CE3-CB 4.16Å; W898-L1082 HydrophobicContact CZ3-CB 4.32Å; W898-L1082 HydrophobicContact CZ3-CD2 3.89Å |
| 899 | V | 86.1 | Confident | 82.3 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 110.5 | 174 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | A1081 A1083 | V899-A1081 HydrophobicContact CB-CB 4.11Å; V899-A1081 PolarHBondContact N-O 3Å; V899-A1083 HydrophobicContact CG2-CB 3.57Å |
| 900 | G | 88.2 | Confident | 81.7 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 55% | 0.546 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.8 | -171.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1080 | G900-R1080 VanDerWaalsContact O-CZ 3.23Å; G900-R1080 PolarHBondContact O-NE 2.97Å; G900-R1080 PolarHBondContact O-NH2 3.48Å |
| 901 | D | 90 | Very high | 80.8 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 65% | 0.652 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 170.7 | 176.9 | -80.1 | -42.6 | 0 | 0 | 0 | 112.6 | Y903 R1080 | D901-Y903 PolarHBondContact O-N 2.97Å; D901-R1080 IonicContact OD1-CZ 3.31Å; D901-R1080 IonicContact OD1-NH1 3.95Å; D901-R1080 IonicContact OD1-NH2 2.79Å; D901-R1080 PolarHBondContact OD1-NH2 2.84Å |
| 902 | W | 89.9 | Confident | 80.2 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 124.9 | 173.6 | -74 | 104.2 | 0 | 0 | 0 | 110.8 | A851 T853 K887 I890 W898 W1078 H1079 R1080 | A851-W902 HydrophobicContact CB-CH2 3.86Å; A851-W902 HydrophobicContact CB-CZ3 4.43Å; T853-W902 HydrophobicContact CG2-CE3 4.34Å; T853-W902 HydrophobicContact CG2-CH2 3.9Å; T853-W902 HydrophobicContact CG2-CZ3 3.75Å; K887-W902 HydrophobicContact CB-CD2 4.36Å; K887-W902 HydrophobicContact CB-CZ2 4.19Å; K887-W902 HydrophobicContact CD-CB 4.03Å; K887-W902 HydrophobicContact CD-CD2 3.7Å; K887-W902 HydrophobicContact CD-CE3 4.12Å; K887-W902 HydrophobicContact CD-CG 3.67Å; K887-W902 HydrophobicContact CG-CD2 3.87Å; K887-W902 HydrophobicContact CG-CE3 4.27Å; K887-W902 HydrophobicContact CG-CG 4.24Å; K887-W902 HydrophobicContact CG-CZ2 4.11Å; K887-W902 PolarHBondContact O-NE1 2.78Å; I890-W902 HydrophobicContact CD1-CH2 3.76Å; I890-W902 HydrophobicContact CD1-CZ2 3.89Å; W898-W902 HydrophobicContact CH2-CZ2 4.41Å; W902-W1078 HydrophobicContact CB-CE3 3.91Å; W902-W1078 HydrophobicContact CB-CZ3 4.28Å; W902-W1078 HydrophobicContact CE3-CB 3.93Å; W902-W1078 HydrophobicContact CZ3-CB 4.34Å; W902-W1078 WeakPolarHBondContact O-CZ3 3.33Å; W902-H1079 WeakPolarHBondContact CA-O 3.41Å; W902-H1079 VanDerWaalsContact CE3-C 3.48Å; W902-R1080 HydrophobicContact CD2-CB 3.62Å; W902-R1080 HydrophobicContact CD2-CG 4.41Å; W902-R1080 HydrophobicContact CE3-CB 3.59Å; W902-R1080 HydrophobicContact CG-CB 4.12Å; W902-R1080 HydrophobicContact CG-CG 4.5Å; W902-R1080 HydrophobicContact CH2-CB 4.28Å; W902-R1080 HydrophobicContact CZ2-CB 4.31Å; W902-R1080 HydrophobicContact CZ3-CB 3.93Å |
| 903 | Y | 88.1 | Confident | 79.6 | Confident | 95 Ų | 95 | 54.3 Ų | 54.3 | 37% | 0.373 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 155 | 175.6 | 62.7 | -85.2 | 0 | 0 | 0 | 110.9 | D901 W1078 H1079 | D901-Y903 PolarHBondContact O-N 2.97Å; Y903-W1078 CarbonylContact O-C 3.58Å; Y903-W1078 WeakPolarHBondContact O-CA 3.3Å; Y903-H1079 VanDerWaalsContact CD1-O 3.28Å; Y903-H1079 WeakPolarHBondContact CD1-O 3.38Å; Y903-H1079 HydrophobicContact CD2-CB 4.48Å; Y903-H1079 HydrophobicContact CE1-CB 4.07Å; Y903-H1079 HydrophobicContact CE2-CB 3.89Å; Y903-H1079 PolarHBondContact N-O 2.68Å; Y903-H1079 PolarHBondContact O-N 3.17Å |
| 904 | V | 84.2 | Confident | 79.5 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.5 | 175.8 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | P1049 A1052 R1077 W1078 | V904-P1049 WeakPolarHBondContact CB-O 3.08Å; V904-A1052 HydrophobicContact CG1-CB 3.59Å; V904-R1077 WeakPolarHBondContact CA-O 3.44Å; V904-W1078 HydrophobicContact CG2-CD2 3.92Å; V904-W1078 HydrophobicContact CG2-CE3 3.9Å; V904-W1078 HydrophobicContact CG2-CH2 3.83Å; V904-W1078 HydrophobicContact CG2-CZ2 3.85Å; V904-W1078 HydrophobicContact CG2-CZ3 3.85Å |
| 905 | S | 80.9 | Confident | 79.3 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | trans | -143 | 92.1 | -174.6 | 174.5 | 0 | 0 | 0 | 0 | 107.5 | R1077 H1079 | S905-R1077 PolarHBondContact N-O 3.05Å; S905-R1077 WeakPolarHBondContact O-CB 3.23Å; S905-R1077 PolarHBondContact O-NE 2.73Å; S905-R1077 PolarHBondContact O-NH2 2.71Å; S905-H1079 WeakPolarHBondContact CB-ND1 2.85Å; S905-H1079 PolarHBondContact OG-CE1 3.1Å; S905-H1079 PolarHBondContact OG-ND1 3.35Å | ||
| 906 | P | 73.9 | Confident | 79 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | trans | -68.7 | 148.7 | -172.7 | 26 | -34.1 | 0 | 0 | 0 | 113.3 | L908 A1052 R1077 | P906-L908 HydrophobicContact CB-CD2 3.98Å; P906-L908 HydrophobicContact CG-CD2 3.92Å; P906-L908 HydrophobicContact CG-CG 4.31Å; P906-L908 PolarHBondContact O-N 3.41Å; P906-L908 VanDerWaalsContact O-N 3.16Å; P906-A1052 HydrophobicContact CB-CB 4.23Å; P906-A1052 HydrophobicContact CG-CB 4.3Å; P906-R1077 PolarHBondContact O-NH2 2.83Å | ||
| 907 | E | 74 | Confident | 78.4 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | trans | -85.2 | 83.8 | 177.8 | -175.3 | 73.7 | -60.4 | 0 | 0 | 111.3 | S909 L910 R1077 R1121 | E907-S909 VanDerWaalsContact C-N 3.27Å; E907-S909 VanDerWaalsContact CD-OG 3.23Å; E907-S909 WeakPolarHBondContact CG-OG 3.48Å; E907-S909 PolarHBondContact O-N 2.72Å; E907-S909 PolarHBondContact OE1-OG 2.91Å; E907-L910 HydrophobicContact CG-CD1 3.9Å; E907-L910 HydrophobicContact CG-CG 3.94Å; E907-R1077 IonicContact OE1-CZ 2.7Å; E907-R1077 IonicContact OE1-NH1 2.67Å; E907-R1077 PolarHBondContact OE1-NH1 3.1Å; E907-R1077 IonicContact OE1-NH2 2.69Å; E907-R1077 PolarHBondContact OE1-NH2 3.06Å; E907-R1077 IonicContact OE2-NH1 3.25Å; E907-R1077 PolarHBondContact OE2-NH1 3Å; E907-R1121 IonicContact OE1-NH1 3.04Å; E907-R1121 IonicContact OE2-CZ 2.79Å; E907-R1121 VanDerWaalsContact OE2-CZ 3.28Å; E907-R1121 IonicContact OE2-NH1 3.72Å; E907-R1121 PolarHBondContact OE2-NH1 3.06Å; E907-R1121 IonicContact OE2-NH2 3.78Å; E907-R1121 PolarHBondContact OE2-NH2 3.27Å | ||
| 908 | L | 69 | Low | 77.8 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -73.1 | -18.5 | -174.8 | -54.3 | 180 | 0 | 0 | 0 | 113.7 | P906 L910 L911 L1042 | P906-L908 HydrophobicContact CB-CD2 3.98Å; P906-L908 HydrophobicContact CG-CD2 3.92Å; P906-L908 HydrophobicContact CG-CG 4.31Å; P906-L908 PolarHBondContact O-N 3.41Å; P906-L908 VanDerWaalsContact O-N 3.16Å; L908-L910 PolarHBondContact O-N 2.89Å; L908-L911 HydrophobicContact CD2-CD1 3.73Å; L908-L911 PolarHBondContact O-N 2.68Å; L908-L911 VanDerWaalsContact O-N 3.09Å; L908-L1042 HydrophobicContact CD1-CD1 3.58Å; L908-L1042 HydrophobicContact CD1-CD2 3.47Å; L908-L1042 VanDerWaalsContact CD1-CD2 3.47Å; L908-L1042 HydrophobicContact CD1-CG 3.36Å |
| 909 | S | 73.3 | Confident | 76.9 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -60.8 | -26.1 | 178.2 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | P604 N606 E907 Y912 | P604-S909 PolarHBondContact O-OG 2.86Å; N606-S909 PolarHBondContact N-O 3.17Å; E907-S909 VanDerWaalsContact C-N 3.27Å; E907-S909 VanDerWaalsContact CD-OG 3.23Å; E907-S909 WeakPolarHBondContact CG-OG 3.48Å; E907-S909 PolarHBondContact O-N 2.72Å; E907-S909 PolarHBondContact OE1-OG 2.91Å; S909-Y912 WeakPolarHBondContact O-CD2 3.4Å |
| 910 | L | 73 | Confident | 76.4 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -91 | -6 | 179.4 | -62.5 | 177.7 | 0 | 0 | 0 | 113.3 | P577 P604 N606 E907 L908 | P577-L910 HydrophobicContact CB-CD2 3.75Å; P577-L910 HydrophobicContact CG-CD2 4.28Å; P604-L910 HydrophobicContact CB-CD2 4.1Å; P604-L910 HydrophobicContact CG-CD1 4.49Å; P604-L910 HydrophobicContact CG-CD2 4.32Å; P604-L910 WeakPolarHBondContact O-CD2 3.49Å; N606-L910 PolarHBondContact ND2-O 2.91Å; E907-L910 HydrophobicContact CG-CD1 3.9Å; E907-L910 HydrophobicContact CG-CG 3.94Å; L908-L910 PolarHBondContact O-N 2.89Å |
| 911 | L | 68.4 | Low | 76.1 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | trans | -98.9 | 7.5 | -175.3 | -57.5 | 178.3 | 0 | 0 | 0 | 114 | L908 R1038 T1065 | L908-L911 HydrophobicContact CD2-CD1 3.73Å; L908-L911 PolarHBondContact O-N 2.68Å; L908-L911 VanDerWaalsContact O-N 3.09Å; L911-R1038 PolarHBondContact O-NH1 3.29Å; L911-T1065 HydrophobicContact CD1-CG2 3.43Å; L911-T1065 VanDerWaalsContact CD1-CG2 3.43Å; L911-T1065 HydrophobicContact CD2-CG2 4.13Å; L911-T1065 HydrophobicContact CG-CG2 4.45Å | ||
| 912 | Y | 69.6 | Low | 75.9 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | trans | -70 | 129.8 | 164.2 | -62.1 | -76.5 | 0 | 0 | 0 | 109.5 | N606 V608 P618 S909 A916 R1038 | N606-Y912 PolarHBondContact ND2-O 2.86Å; V608-Y912 HydrophobicContact CG2-CD1 3.47Å; V608-Y912 VanDerWaalsContact CG2-CD1 3.47Å; V608-Y912 HydrophobicContact CG2-CD2 3.94Å; V608-Y912 HydrophobicContact CG2-CE1 4.01Å; V608-Y912 HydrophobicContact CG2-CE2 4.44Å; V608-Y912 HydrophobicContact CG2-CG 3.43Å; V608-Y912 VanDerWaalsContact CG2-CG 3.43Å; P618-Y912 HydrophobicContact CB-CE2 4.44Å; P618-Y912 HydrophobicContact CG-CD2 3.99Å; P618-Y912 HydrophobicContact CG-CE1 4.05Å; P618-Y912 HydrophobicContact CG-CE2 3.32Å; P618-Y912 WeakPolarHBondContact CG-OH 3.46Å; S909-Y912 WeakPolarHBondContact O-CD2 3.4Å; Y912-A916 HydrophobicContact CD1-CB 4.26Å; Y912-R1038 VanDerWaalsContact CE1-NH2 3.32Å | ||
| 913 | K | 70.6 | Confident | 75.8 | Confident | 146 Ų | 146 | 47.9 Ų | 47.9 | 64% | 0.635 | 25% | 0.247 | S | C | * | . | trans | -81.6 | 166.2 | 176.4 | -65.4 | 179.8 | -178.7 | 176 | 0 | 110.4 | D915 A916 | K913-D915 WeakPolarHBondContact CB-OD1 3.49Å; K913-D915 VanDerWaalsContact CD-OD1 3.32Å; K913-D915 WeakPolarHBondContact CD-OD1 3.44Å; K913-D915 PolarHBondContact O-N 3.38Å; K913-A916 VanDerWaalsContact O-CB 3.27Å; K913-A916 WeakPolarHBondContact O-CB 3.33Å; K913-A916 PolarHBondContact O-N 3.49Å; K913-A916 VanDerWaalsContact O-N 3.11Å | ||
| 914 | K | 73.9 | Confident | 75.9 | Confident | 146 Ų | 146 | 46.2 Ų | 46.2 | 64% | 0.635 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.1 | 176.9 | -68.5 | -161.2 | 170.1 | -156 | 0 | 114.1 | D575 F921 | D575-K914 IonicContact OD1-NZ 3.29Å; D575-K914 PolarHBondContact OD1-NZ 2.85Å; K914-F921 HydrophobicContact CB-CE2 4.13Å; K914-F921 HydrophobicContact CB-CZ 4.34Å |
| 915 | D | 73.1 | Confident | 76.2 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.5 | 175.1 | 62.8 | -30.1 | 0 | 0 | 0 | 114 | K913 G917 K918 F921 R1013 | K913-D915 WeakPolarHBondContact CB-OD1 3.49Å; K913-D915 VanDerWaalsContact CD-OD1 3.32Å; K913-D915 WeakPolarHBondContact CD-OD1 3.44Å; K913-D915 PolarHBondContact O-N 3.38Å; D915-G917 PolarHBondContact O-N 2.91Å; D915-K918 PolarHBondContact O-N 3.31Å; D915-K918 VanDerWaalsContact O-N 3.11Å; D915-F921 HydrophobicContact CB-CB 4.31Å; D915-F921 HydrophobicContact CB-CD1 4.07Å; D915-F921 HydrophobicContact CB-CD2 3.46Å; D915-F921 VanDerWaalsContact CB-CD2 3.46Å; D915-F921 HydrophobicContact CB-CE1 4.23Å; D915-F921 HydrophobicContact CB-CE2 3.66Å; D915-F921 HydrophobicContact CB-CG 3.67Å; D915-F921 HydrophobicContact CB-CZ 4.04Å; D915-R1013 IonicContact OD2-CZ 2.71Å; D915-R1013 IonicContact OD2-NH1 3.16Å; D915-R1013 PolarHBondContact OD2-NH1 3.43Å; D915-R1013 IonicContact OD2-NH2 3.8Å; D915-R1013 PolarHBondContact OD2-NH2 3.39Å |
| 916 | A | 70.8 | Confident | 76.7 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 123 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V608 S609 Y912 K913 K918 | V608-A916 HydrophobicContact CG1-CB 4.14Å; V608-A916 HydrophobicContact CG2-CB 4.13Å; S609-A916 PolarHBondContact N-O 3.13Å; Y912-A916 HydrophobicContact CD1-CB 4.26Å; K913-A916 VanDerWaalsContact O-CB 3.27Å; K913-A916 WeakPolarHBondContact O-CB 3.33Å; K913-A916 PolarHBondContact O-N 3.49Å; K913-A916 VanDerWaalsContact O-N 3.11Å; A916-K918 PolarHBondContact O-N 3.06Å |
| 917 | G | 70.3 | Confident | 77.6 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -8.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S609 G611 D915 | S609-G917 WeakPolarHBondContact O-CA 3.2Å; G611-G917 WeakPolarHBondContact CA-O 3.43Å; G611-G917 PolarHBondContact N-O 3.44Å; D915-G917 PolarHBondContact O-N 2.91Å |
| 918 | K | 75.9 | Confident | 78.5 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | trans | -74.9 | 143.2 | -175.6 | -66.2 | -162.7 | 170.9 | -155.3 | 0 | 113 | E572 Y615 D915 A916 S920 F921 W964 | E572-K918 IonicContact OE1-NZ 3.44Å; E572-K918 PolarHBondContact OE1-NZ 2.98Å; Y615-K918 WeakPolarHBondContact OH-CE 3.33Å; Y615-K918 PolarHBondContact OH-NZ 2.86Å; D915-K918 PolarHBondContact O-N 3.31Å; D915-K918 VanDerWaalsContact O-N 3.11Å; A916-K918 PolarHBondContact O-N 3.06Å; K918-S920 WeakPolarHBondContact CB-O 3.33Å; K918-F921 HydrophobicContact CD-CD2 4.12Å; K918-W964 WeakPolarHBondContact O-CH2 3.34Å; K918-W964 VanDerWaalsContact O-CZ2 3.28Å; K918-W964 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 919 | T | 70.7 | Confident | 79.7 | Confident | 35 Ų | 35 | 43 Ų | 43 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -84.2 | -28.7 | 173.6 | 42.2 | 0 | 0 | 0 | 0 | 113.6 | G611 L1015 L1027 | G611-T919 WeakPolarHBondContact O-CG2 3.14Å; G611-T919 PolarHBondContact O-OG1 2.9Å; T919-L1015 WeakPolarHBondContact O-CB 3.47Å; T919-L1015 PolarHBondContact O-N 2.79Å; T919-L1027 HydrophobicContact CG2-CD1 3.52Å; T919-L1027 HydrophobicContact CG2-CD2 3.43Å; T919-L1027 VanDerWaalsContact CG2-CD2 3.43Å; T919-L1027 HydrophobicContact CG2-CG 4.06Å |
| 920 | S | 77.5 | Confident | 80.6 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.8 | 174.8 | 62.2 | 0 | 0 | 0 | 0 | 109.6 | K918 R1013 | K918-S920 WeakPolarHBondContact CB-O 3.33Å; S920-R1013 WeakPolarHBondContact CA-O 3.33Å |
| 921 | F | 81.7 | Confident | 81.4 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 18% | 0.184 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 134.2 | -179.2 | -169.3 | -104.1 | 0 | 0 | 0 | 111.4 | K914 D915 K918 E923 W964 S1012 R1013 | K914-F921 HydrophobicContact CB-CE2 4.13Å; K914-F921 HydrophobicContact CB-CZ 4.34Å; D915-F921 HydrophobicContact CB-CB 4.31Å; D915-F921 HydrophobicContact CB-CD1 4.07Å; D915-F921 HydrophobicContact CB-CD2 3.46Å; D915-F921 VanDerWaalsContact CB-CD2 3.46Å; D915-F921 HydrophobicContact CB-CE1 4.23Å; D915-F921 HydrophobicContact CB-CE2 3.66Å; D915-F921 HydrophobicContact CB-CG 3.67Å; D915-F921 HydrophobicContact CB-CZ 4.04Å; K918-F921 HydrophobicContact CD-CD2 4.12Å; F921-E923 PolarHBondContact O-N 3.08Å; F921-W964 HydrophobicContact CB-CH2 4.03Å; F921-W964 HydrophobicContact CB-CZ3 3.98Å; F921-S1012 WeakPolarHBondContact O-CA 3.13Å; F921-R1013 HydrophobicContact CB-CG 4.12Å; F921-R1013 VanDerWaalsContact CD1-NH2 3.33Å; F921-R1013 PolarHBondContact N-O 2.92Å; F921-R1013 WeakPolarHBondContact O-CG 3.47Å; F921-R1013 PolarHBondContact O-N 2.92Å |
| 922 | V | 85.5 | Confident | 82.1 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 39% | 0.394 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 107.2 | 172.7 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | I1010 | V922-I1010 HydrophobicContact CG1-CB 3.71Å; V922-I1010 HydrophobicContact CG1-CG2 3.87Å |
| 923 | E | 87.5 | Confident | 82.5 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 137.4 | 170.1 | -160.6 | 70.2 | -146.7 | 0 | 0 | 108.8 | F921 K952 V958 W966 W970 I1010 R1011 R1013 | F921-E923 PolarHBondContact O-N 3.08Å; E923-K952 IonicContact OE1-NZ 2.72Å; E923-V958 HydrophobicContact CG-CG1 4.16Å; E923-W966 HydrophobicContact CB-CH2 4.1Å; E923-W966 HydrophobicContact CB-CZ3 3.88Å; E923-W966 HydrophobicContact CG-CH2 4.12Å; E923-W966 HydrophobicContact CG-CZ3 4.41Å; E923-W970 HydrophobicContact CB-CH2 4.3Å; E923-W970 HydrophobicContact CG-CH2 4.13Å; E923-I1010 WeakPolarHBondContact O-CA 3.22Å; E923-R1011 WeakPolarHBondContact CB-O 3.46Å; E923-R1011 PolarHBondContact N-O 2.96Å; E923-R1011 PolarHBondContact O-N 2.84Å; E923-R1013 IonicContact OE2-CZ 3.16Å; E923-R1013 IonicContact OE2-NE 2.71Å; E923-R1013 PolarHBondContact OE2-NE 3.02Å; E923-R1013 VanDerWaalsContact OE2-NE 3.13Å; E923-R1013 IonicContact OE2-NH2 3.74Å; E923-R1013 PolarHBondContact OE2-NH2 3Å; E923-R1013 VanDerWaalsContact OE2-NH2 3.11Å |
| 924 | E | 89.3 | Confident | 83 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.7 | -177.5 | 66.5 | 178.6 | 169.4 | 0 | 0 | 112.2 | F926 R1008 L1009 I1010 | E924-F926 HydrophobicContact CG-CE2 4.46Å; E924-R1008 IonicContact OE2-CZ 2.75Å; E924-R1008 IonicContact OE2-NE 3.38Å; E924-R1008 PolarHBondContact OE2-NE 2.94Å; E924-R1008 IonicContact OE2-NH2 3.28Å; E924-R1008 PolarHBondContact OE2-NH2 2.94Å; E924-L1009 WeakPolarHBondContact CA-O 3.38Å; E924-I1010 HydrophobicContact CB-CG2 4.43Å |
| 925 | L | 91.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.1 | 179.6 | -157.9 | 84.1 | 0 | 0 | 0 | 108.4 | Y944 T945 K952 P955 V958 W970 L1009 | L925-Y944 HydrophobicContact CD2-CD1 3.44Å; L925-Y944 VanDerWaalsContact CD2-CD1 3.44Å; L925-Y944 HydrophobicContact CD2-CE1 4.11Å; L925-Y944 HydrophobicContact CD2-CG 3.96Å; L925-Y944 HydrophobicContact CG-CD1 4.21Å; L925-T945 CarbonylContact C-O 3.57Å; L925-K952 HydrophobicContact CD1-CB 3.42Å; L925-K952 VanDerWaalsContact CD1-CB 3.42Å; L925-K952 HydrophobicContact CD1-CD 4.34Å; L925-K952 HydrophobicContact CD1-CG 3.86Å; L925-P955 HydrophobicContact CD2-CB 4.22Å; L925-P955 HydrophobicContact CD2-CG 3.66Å; L925-V958 HydrophobicContact CD1-CG2 4.37Å; L925-W970 HydrophobicContact CB-CE3 4.44Å; L925-W970 HydrophobicContact CB-CH2 3.71Å; L925-W970 HydrophobicContact CB-CZ3 3.66Å; L925-L1009 HydrophobicContact CB-CB 4.34Å; L925-L1009 HydrophobicContact CD2-CD1 4.47Å; L925-L1009 PolarHBondContact N-O 2.85Å; L925-L1009 PolarHBondContact O-N 2.81Å; L925-L1009 VanDerWaalsContact O-O 3.14Å |
| 926 | F | 91.4 | Very high | 84.3 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.8 | 177.6 | -72.3 | -99.9 | 0 | 0 | 0 | 109.1 | E924 N928 Y944 T945 A947 R1006 R1007 R1008 | E924-F926 HydrophobicContact CG-CE2 4.46Å; F926-N928 PolarHBondContact O-ND2 2.77Å; F926-Y944 CarbonylContact O-C 3.44Å; F926-Y944 VanDerWaalsContact O-CA 3.28Å; F926-Y944 WeakPolarHBondContact O-CA 3.21Å; F926-T945 PolarHBondContact N-O 3.19Å; F926-T945 PolarHBondContact O-N 2.87Å; F926-A947 HydrophobicContact CD2-CB 4.29Å; F926-A947 VanDerWaalsContact CE2-CA 3.47Å; F926-A947 HydrophobicContact CE2-CB 3.58Å; F926-A947 HydrophobicContact CZ-CB 4.03Å; F926-R1006 HydrophobicContact CD1-CB 4.47Å; F926-R1006 HydrophobicContact CD1-CG 3.87Å; F926-R1007 WeakPolarHBondContact CA-O 3.5Å; F926-R1008 HydrophobicContact CD1-CB 4.06Å; F926-R1008 HydrophobicContact CD1-CG 4.42Å; F926-R1008 HydrophobicContact CE1-CB 3.66Å; F926-R1008 HydrophobicContact CE1-CG 3.85Å; F926-R1008 HydrophobicContact CE2-CG 4.02Å; F926-R1008 HydrophobicContact CZ-CB 4Å; F926-R1008 HydrophobicContact CZ-CG 3.62Å |
| 927 | Y | 93.8 | Very high | 85.2 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 12% | 0.122 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.8 | 172.5 | 171.1 | -106.7 | 0 | 0 | 0 | 109.1 | E929 V939 A943 Y944 F983 R1006 R1007 | Y927-E929 HydrophobicContact CD1-CG 4.49Å; Y927-E929 HydrophobicContact CE1-CG 3.71Å; Y927-E929 VanDerWaalsContact CE1-OE1 3.22Å; Y927-E929 WeakPolarHBondContact CE1-OE1 3.14Å; Y927-E929 PolarHBondContact OH-OE1 3.46Å; Y927-V939 HydrophobicContact CE2-CG1 4.22Å; Y927-A943 WeakPolarHBondContact CA-O 3.18Å; Y927-Y944 HydrophobicContact CD2-CD1 4.04Å; Y927-Y944 AromaticContact CD2-CE1 3.5Å; Y927-Y944 HydrophobicContact CD2-CE1 3.5Å; Y927-Y944 VanDerWaalsContact CD2-CE1 3.5Å; Y927-Y944 AromaticContact CD2-CZ 3.78Å; Y927-Y944 HydrophobicContact CE2-CE1 4.49Å; Y927-Y944 HydrophobicContact CG-CE1 4.08Å; Y927-F983 HydrophobicContact CD1-CE1 4.21Å; Y927-F983 HydrophobicContact CD1-CZ 4.23Å; Y927-F983 HydrophobicContact CE1-CE1 4.4Å; Y927-F983 HydrophobicContact CE1-CZ 4.15Å; Y927-R1006 CarbonylContact O-C 3.21Å; Y927-R1006 WeakPolarHBondContact O-CA 3.43Å; Y927-R1007 PolarHBondContact N-O 2.79Å; Y927-R1007 PolarHBondContact O-N 2.62Å |
| 928 | N | 92.5 | Very high | 86.2 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.4 | -169.3 | -55.8 | -60.2 | 0 | 0 | 0 | 112.3 | F926 A940 P942 A943 T945 R1006 | F926-N928 PolarHBondContact O-ND2 2.77Å; N928-A940 HydrophobicContact CB-CB 3.89Å; N928-A940 PolarHBondContact O-N 2.84Å; N928-P942 PolarHBondContact ND2-O 2.85Å; N928-A943 PolarHBondContact N-O 3.13Å; N928-T945 WeakPolarHBondContact ND2-CG2 3.07Å; N928-T945 PolarHBondContact ND2-OG1 2.78Å; N928-R1006 WeakPolarHBondContact OD1-CB 3.47Å |
| 929 | E | 93.8 | Very high | 86.9 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 148.6 | 172.3 | -66.5 | -174.3 | 167.8 | 0 | 0 | 110.9 | Y927 W937 K938 F983 F1004 R1005 | Y927-E929 HydrophobicContact CD1-CG 4.49Å; Y927-E929 HydrophobicContact CE1-CG 3.71Å; Y927-E929 VanDerWaalsContact CE1-OE1 3.22Å; Y927-E929 WeakPolarHBondContact CE1-OE1 3.14Å; Y927-E929 PolarHBondContact OH-OE1 3.46Å; E929-W937 HydrophobicContact CB-CE3 4.21Å; E929-W937 WeakPolarHBondContact OE2-CB 2.95Å; E929-K938 CarbonylContact C-O 3.57Å; E929-K938 WeakPolarHBondContact CA-O 3.31Å; E929-K938 VanDerWaalsContact CB-O 3.31Å; E929-K938 WeakPolarHBondContact CB-O 3.38Å; E929-F983 HydrophobicContact CG-CE1 4.26Å; E929-F983 HydrophobicContact CG-CZ 4.46Å; E929-F1004 WeakPolarHBondContact O-CA 3.23Å; E929-R1005 HydrophobicContact CB-CG 3.92Å; E929-R1005 PolarHBondContact N-O 3.36Å; E929-R1005 PolarHBondContact O-N 2.89Å; E929-R1005 VanDerWaalsContact O-O 3.07Å; E929-R1005 IonicContact OE2-CZ 3.65Å; E929-R1005 VanDerWaalsContact OE2-CZ 3.22Å; E929-R1005 IonicContact OE2-NE 3.79Å; E929-R1005 PolarHBondContact OE2-NE 2.8Å; E929-R1005 IonicContact OE2-NH2 3.69Å; E929-R1005 PolarHBondContact OE2-NH2 3.34Å |
| 930 | F | 91.4 | Very high | 87.5 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 33% | 0.333 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 156.6 | 177.2 | 111.9 | -83.2 | 0 | 0 | 0 | 111.4 | T932 K938 A940 M1003 F1004 | F930-T932 HydrophobicContact CE2-CG2 4.47Å; F930-K938 HydrophobicContact CD1-CB 4.49Å; F930-K938 PolarHBondContact N-O 3.3Å; F930-K938 PolarHBondContact O-N 3Å; F930-A940 HydrophobicContact CB-CB 4.25Å; F930-M1003 CarbonylContact C-O 3.51Å; F930-M1003 VanDerWaalsContact CA-O 3.24Å; F930-M1003 WeakPolarHBondContact CA-O 3.39Å; F930-F1004 HydrophobicContact CB-CD1 3.82Å; F930-F1004 HydrophobicContact CB-CE1 3.66Å; F930-F1004 HydrophobicContact CB-CZ 4.22Å |
| 931 | R | 89.7 | Confident | 87.7 | Confident | 24 Ų | 24 | 58 Ų | 58 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | trans | -147.3 | 170.8 | 166.6 | 71 | 176.4 | 179.2 | -169.6 | 3.1 | 111.3 | S935 W937 E998 K999 H1002 M1003 | R931-S935 WeakPolarHBondContact CB-O 3.03Å; R931-W937 HydrophobicContact CB-CD2 4.16Å; R931-W937 HydrophobicContact CB-CE3 3.83Å; R931-W937 HydrophobicContact CB-CZ3 4.15Å; R931-W937 HydrophobicContact CG-CD2 4.02Å; R931-W937 HydrophobicContact CG-CE3 3.76Å; R931-W937 HydrophobicContact CG-CH2 3.8Å; R931-W937 HydrophobicContact CG-CZ2 4.05Å; R931-W937 HydrophobicContact CG-CZ3 3.65Å; R931-W937 VanDerWaalsContact NE-CZ2 3.26Å; R931-E998 IonicContact CZ-OE1 2.79Å; R931-E998 IonicContact CZ-OE2 3.62Å; R931-E998 IonicContact NH1-OE1 3.66Å; R931-E998 PolarHBondContact NH1-OE1 2.78Å; R931-E998 IonicContact NH1-OE2 3.27Å; R931-E998 PolarHBondContact NH1-OE2 2.65Å; R931-E998 IonicContact NH2-OE1 2.81Å; R931-E998 PolarHBondContact NH2-OE1 3.32Å; R931-E998 IonicContact NH2-OE2 3.14Å; R931-K999 PolarHBondContact NH2-O 2.72Å; R931-K999 VanDerWaalsContact NH2-O 3.08Å; R931-H1002 PolarHBondContact NE-O 2.79Å; R931-H1002 PolarHBondContact NH2-O 3.17Å; R931-M1003 PolarHBondContact N-O 2.94Å; R931-M1003 WeakPolarHBondContact O-CA 3.28Å; R931-M1003 VanDerWaalsContact O-CB 3.23Å; R931-M1003 WeakPolarHBondContact O-CB 3.25Å; R931-M1003 WeakPolarHBondContact O-CG 3.01Å | ||
| 932 | T | 83.4 | Confident | 87.6 | Confident | 51 Ų | 51 | 58.5 Ų | 58.5 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | trans | -99.8 | 164.3 | 154.7 | 66.4 | 0 | 0 | 0 | 0 | 109.3 | F930 T934 S935 | F930-T932 HydrophobicContact CE2-CG2 4.47Å; T932-T934 PolarHBondContact O-N 2.82Å; T932-T934 PolarHBondContact OG1-OG1 3.46Å; T932-S935 PolarHBondContact N-OG 3.27Å; T932-S935 PolarHBondContact O-N 2.91Å; T932-S935 PolarHBondContact O-OG 2.9Å; T932-S935 WeakPolarHBondContact OG1-CB 3.32Å; T932-S935 PolarHBondContact OG1-N 3.06Å; T932-S935 PolarHBondContact OG1-OG 3.44Å | ||
| 933 | P | 78 | Confident | 87.6 | Confident | 83 Ų | 83 | 56.7 Ų | 56.7 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -7.4 | 178.1 | -27.4 | 36.7 | 0 | 0 | 0 | 116.1 | M1003 | P933-M1003 HydrophobicContact CG-CG 4.46Š|
| 934 | T | 81 | Confident | 87.7 | Confident | 138 Ų | 138 | 58.1 Ų | 58.1 | 85% | 0.847 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | 2.8 | 180 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | T932 | T932-T934 PolarHBondContact O-N 2.82Å; T932-T934 PolarHBondContact OG1-OG1 3.46Å |
| 935 | S | 84.7 | Confident | 87.6 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -120.9 | 154 | -179.2 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | R931 T932 | R931-S935 WeakPolarHBondContact CB-O 3.03Å; T932-S935 PolarHBondContact N-OG 3.27Å; T932-S935 PolarHBondContact O-N 2.91Å; T932-S935 PolarHBondContact O-OG 2.9Å; T932-S935 WeakPolarHBondContact OG1-CB 3.32Å; T932-S935 PolarHBondContact OG1-N 3.06Å; T932-S935 PolarHBondContact OG1-OG 3.44Å |
| 936 | P | 89.5 | Confident | 87 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | trans | -69.4 | 157.7 | 172.3 | 30.5 | -36.2 | 0 | 0 | 0 | 111.1 | ||||
| 937 | W | 91.2 | Very high | 86.3 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | trans | -56.1 | 138.4 | 172.9 | -65.6 | 113.6 | 0 | 0 | 0 | 112 | E929 R931 Y985 E998 M1003 R1005 | E929-W937 HydrophobicContact CB-CE3 4.21Å; E929-W937 WeakPolarHBondContact OE2-CB 2.95Å; R931-W937 HydrophobicContact CB-CD2 4.16Å; R931-W937 HydrophobicContact CB-CE3 3.83Å; R931-W937 HydrophobicContact CB-CZ3 4.15Å; R931-W937 HydrophobicContact CG-CD2 4.02Å; R931-W937 HydrophobicContact CG-CE3 3.76Å; R931-W937 HydrophobicContact CG-CH2 3.8Å; R931-W937 HydrophobicContact CG-CZ2 4.05Å; R931-W937 HydrophobicContact CG-CZ3 3.65Å; R931-W937 VanDerWaalsContact NE-CZ2 3.26Å; W937-Y985 AromaticContact CE2-CE1 3.99Å; W937-Y985 HydrophobicContact CH2-CD1 4.01Å; W937-Y985 HydrophobicContact CH2-CE1 4.25Å; W937-Y985 AromaticContact CZ2-CD1 3.62Å; W937-Y985 HydrophobicContact CZ2-CD1 3.62Å; W937-Y985 AromaticContact CZ2-CE1 3.48Å; W937-Y985 HydrophobicContact CZ2-CE1 3.48Å; W937-Y985 VanDerWaalsContact CZ2-CE1 3.48Å; W937-E998 HydrophobicContact CZ2-CG 4.49Å; W937-E998 PolarHBondContact NE1-OE2 3.39Å; W937-M1003 WeakPolarHBondContact CZ3-O 3.23Å; W937-R1005 HydrophobicContact CD2-CG 3.92Å; W937-R1005 HydrophobicContact CE3-CB 4.46Å; W937-R1005 HydrophobicContact CE3-CG 3.68Å; W937-R1005 HydrophobicContact CH2-CB 3.84Å; W937-R1005 HydrophobicContact CH2-CG 3.94Å; W937-R1005 HydrophobicContact CZ2-CB 4.22Å; W937-R1005 HydrophobicContact CZ2-CG 4.16Å; W937-R1005 HydrophobicContact CZ3-CB 3.97Å; W937-R1005 HydrophobicContact CZ3-CG 3.69Å | ||
| 938 | K | 91 | Very high | 85.2 | Confident | 121 Ų | 121 | 63.4 Ų | 63.4 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 155.5 | 177.3 | -64.7 | 178.5 | -175.6 | 178.1 | 0 | 109.4 | E929 F930 A940 | E929-K938 CarbonylContact C-O 3.57Å; E929-K938 WeakPolarHBondContact CA-O 3.31Å; E929-K938 VanDerWaalsContact CB-O 3.31Å; E929-K938 WeakPolarHBondContact CB-O 3.38Å; F930-K938 HydrophobicContact CD1-CB 4.49Å; F930-K938 PolarHBondContact N-O 3.3Å; F930-K938 PolarHBondContact O-N 3Å; K938-A940 PolarHBondContact O-N 2.68Å |
| 939 | V | 89.2 | Confident | 84 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52 | 128.5 | 172.6 | -164 | 0 | 0 | 0 | 0 | 110 | Y927 A943 | Y927-V939 HydrophobicContact CE2-CG1 4.22Å; V939-A943 HydrophobicContact CG1-CB 3.41Å; V939-A943 VanDerWaalsContact CG1-CB 3.41Å |
| 940 | A | 84.9 | Confident | 82.9 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 160.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N928 F930 K938 P942 A943 | N928-A940 HydrophobicContact CB-CB 3.89Å; N928-A940 PolarHBondContact O-N 2.84Å; F930-A940 HydrophobicContact CB-CB 4.25Å; K938-A940 PolarHBondContact O-N 2.68Å; A940-P942 CarbonylContact O-C 3.55Å; A940-P942 VanDerWaalsContact O-C 3.22Å; A940-A943 WeakPolarHBondContact O-CA 3.45Å; A940-A943 PolarHBondContact O-N 3.09Å |
| 941 | E | 80.3 | Confident | 82.3 | Confident | 199 Ų | 199 | 68.2 Ų | 68.2 | 93% | 0.93 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.2 | 159.4 | -72.7 | -166.2 | 171.6 | 0 | 0 | 108.2 | ||
| 942 | P | 79.6 | Confident | 81.8 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -73.5 | 139.4 | -2.4 | 31.2 | -37.3 | 0 | 0 | 0 | 114.8 | N928 A940 T945 L951 | N928-P942 PolarHBondContact ND2-O 2.85Å; A940-P942 CarbonylContact O-C 3.55Å; A940-P942 VanDerWaalsContact O-C 3.22Å; P942-T945 HydrophobicContact CB-CG2 4.04Å; P942-T945 HydrophobicContact CG-CG2 3.42Å; P942-T945 VanDerWaalsContact CG-CG2 3.42Å; P942-L951 HydrophobicContact CB-CB 3.9Å; P942-L951 HydrophobicContact CB-CD1 3.51Å; P942-L951 HydrophobicContact CB-CG 4.25Å; P942-L951 HydrophobicContact CG-CB 4.41Å |
| 943 | A | 86.5 | Confident | 81.6 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -33.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y927 N928 V939 A940 | Y927-A943 WeakPolarHBondContact CA-O 3.18Å; N928-A943 PolarHBondContact N-O 3.13Å; V939-A943 HydrophobicContact CG1-CB 3.41Å; V939-A943 VanDerWaalsContact CG1-CB 3.41Å; A940-A943 WeakPolarHBondContact O-CA 3.45Å; A940-A943 PolarHBondContact O-N 3.09Å |
| 944 | Y | 90 | Very high | 81.9 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.3 | 177.9 | -64.7 | -76.8 | 0 | 0 | 0 | 109.8 | L925 F926 Y927 K952 E954 P955 L1009 | L925-Y944 HydrophobicContact CD2-CD1 3.44Å; L925-Y944 VanDerWaalsContact CD2-CD1 3.44Å; L925-Y944 HydrophobicContact CD2-CE1 4.11Å; L925-Y944 HydrophobicContact CD2-CG 3.96Å; L925-Y944 HydrophobicContact CG-CD1 4.21Å; F926-Y944 CarbonylContact O-C 3.44Å; F926-Y944 VanDerWaalsContact O-CA 3.28Å; F926-Y944 WeakPolarHBondContact O-CA 3.21Å; Y927-Y944 HydrophobicContact CD2-CD1 4.04Å; Y927-Y944 AromaticContact CD2-CE1 3.5Å; Y927-Y944 HydrophobicContact CD2-CE1 3.5Å; Y927-Y944 VanDerWaalsContact CD2-CE1 3.5Å; Y927-Y944 AromaticContact CD2-CZ 3.78Å; Y927-Y944 HydrophobicContact CE2-CE1 4.49Å; Y927-Y944 HydrophobicContact CG-CE1 4.08Å; Y944-K952 PolarHBondContact O-N 2.84Å; Y944-E954 HydrophobicContact CD2-CB 3.94Å; Y944-E954 HydrophobicContact CE2-CB 3.74Å; Y944-P955 HydrophobicContact CD1-CG 4.39Å; Y944-P955 HydrophobicContact CE1-CG 3.8Å; Y944-P955 VanDerWaalsContact CZ-CD 3.47Å; Y944-L1009 HydrophobicContact CE1-CD1 4.19Å |
| 945 | T | 85.9 | Confident | 82 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 173.9 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | L925 F926 N928 P942 G949 E950 | L925-T945 CarbonylContact C-O 3.57Å; F926-T945 PolarHBondContact N-O 3.19Å; F926-T945 PolarHBondContact O-N 2.87Å; N928-T945 WeakPolarHBondContact ND2-CG2 3.07Å; N928-T945 PolarHBondContact ND2-OG1 2.78Å; P942-T945 HydrophobicContact CB-CG2 4.04Å; P942-T945 HydrophobicContact CG-CG2 3.42Å; P942-T945 VanDerWaalsContact CG-CG2 3.42Å; T945-G949 VanDerWaalsContact CG2-C 3.44Å; T945-G949 WeakPolarHBondContact CG2-O 3.42Å; T945-E950 CarbonylContact C-O 3.47Å; T945-E950 WeakPolarHBondContact CA-O 3.38Å; T945-E950 WeakPolarHBondContact CB-O 3.38Å |
| 946 | D | 79.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 14% | 0.139 | 38% | 0.381 | C | S | . | . | trans | -79.7 | -174.2 | 156 | 66.7 | 16.5 | 0 | 0 | 0 | 111.9 | Q948 G949 E950 K952 | D946-Q948 PolarHBondContact O-N 2.96Å; D946-Q948 WeakPolarHBondContact OD1-CA 3.35Å; D946-Q948 WeakPolarHBondContact OD1-CB 3.18Å; D946-Q948 PolarHBondContact OD1-N 2.97Å; D946-G949 PolarHBondContact O-N 2.96Å; D946-G949 PolarHBondContact OD1-N 3.4Å; D946-G949 VanDerWaalsContact OD1-N 3.09Å; D946-E950 PolarHBondContact N-O 2.83Å; D946-E950 WeakPolarHBondContact OD1-CB 3.46Å; D946-E950 PolarHBondContact OD1-N 2.7Å; D946-K952 HydrophobicContact CB-CG 4.36Å | ||
| 947 | A | 76.5 | Confident | 81.6 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F926 R1006 | F926-A947 HydrophobicContact CD2-CB 4.29Å; F926-A947 VanDerWaalsContact CE2-CA 3.47Å; F926-A947 HydrophobicContact CE2-CB 3.58Å; F926-A947 HydrophobicContact CZ-CB 4.03Å; A947-R1006 PolarHBondContact O-NH1 3.27Å |
| 948 | Q | 69.7 | Low | 81.2 | Confident | 152 Ų | 152 | 68.3 Ų | 68.3 | 71% | 0.71 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -7.7 | -179.9 | -68.1 | 69.4 | 40.3 | 0 | 0 | 112.6 | D946 | D946-Q948 PolarHBondContact O-N 2.96Å; D946-Q948 WeakPolarHBondContact OD1-CA 3.35Å; D946-Q948 WeakPolarHBondContact OD1-CB 3.18Å; D946-Q948 PolarHBondContact OD1-N 2.97Å |
| 949 | G | 67.9 | Low | 80.6 | Confident | 36 Ų | 36 | 71 Ų | 71 | 37% | 0.371 | 39% | 0.386 | S | S | . | . | trans | 93.9 | 9.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T945 D946 | T945-G949 VanDerWaalsContact CG2-C 3.44Å; T945-G949 WeakPolarHBondContact CG2-O 3.42Å; D946-G949 PolarHBondContact O-N 2.96Å; D946-G949 PolarHBondContact OD1-N 3.4Å; D946-G949 VanDerWaalsContact OD1-N 3.09Å | ||
| 950 | E | 70.8 | Confident | 80.1 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | trans | -77.7 | 131.4 | 179.2 | -67.9 | -80.9 | 92.1 | 0 | 0 | 111.3 | T945 D946 K952 R1068 V1070 | T945-E950 CarbonylContact C-O 3.47Å; T945-E950 WeakPolarHBondContact CA-O 3.38Å; T945-E950 WeakPolarHBondContact CB-O 3.38Å; D946-E950 PolarHBondContact N-O 2.83Å; D946-E950 WeakPolarHBondContact OD1-CB 3.46Å; D946-E950 PolarHBondContact OD1-N 2.7Å; E950-K952 PolarHBondContact O-N 3.49Å; E950-K952 VanDerWaalsContact O-N 3.16Å; E950-R1068 WeakPolarHBondContact OE2-CD 3.32Å; E950-R1068 IonicContact OE2-CZ 2.75Å; E950-R1068 IonicContact OE2-NE 3.53Å; E950-R1068 IonicContact OE2-NH1 3.32Å; E950-R1068 PolarHBondContact OE2-NH1 3.35Å; E950-V1070 VanDerWaalsContact OE1-CG2 3.31Å; E950-V1070 WeakPolarHBondContact OE1-CG2 3.5Å | ||
| 951 | L | 79.6 | Confident | 79.6 | Confident | 132 Ų | 132 | 72.5 Ų | 72.5 | 69% | 0.691 | 39% | 0.393 | S | S | * | . | B | Isolated β-bridge | trans | -51 | 121.2 | 178.8 | 170.8 | 67.4 | 0 | 0 | 0 | 111.5 | P942 | P942-L951 HydrophobicContact CB-CB 3.9Å; P942-L951 HydrophobicContact CB-CD1 3.51Å; P942-L951 HydrophobicContact CB-CG 4.25Å; P942-L951 HydrophobicContact CG-CB 4.41Å |
| 952 | K | 79.2 | Confident | 79.1 | Confident | 68 Ų | 68 | 68 Ų | 68 | 30% | 0.296 | 38% | 0.383 | S | S | . | . | trans | -108.8 | 159.8 | 167.6 | -74.2 | -86.3 | -168.6 | 150.7 | 0 | 109.7 | E923 L925 Y944 D946 E950 | E923-K952 IonicContact OE1-NZ 2.72Å; L925-K952 HydrophobicContact CD1-CB 3.42Å; L925-K952 VanDerWaalsContact CD1-CB 3.42Å; L925-K952 HydrophobicContact CD1-CD 4.34Å; L925-K952 HydrophobicContact CD1-CG 3.86Å; Y944-K952 PolarHBondContact O-N 2.84Å; D946-K952 HydrophobicContact CB-CG 4.36Å; E950-K952 PolarHBondContact O-N 3.49Å; E950-K952 VanDerWaalsContact O-N 3.16Å | ||
| 953 | G | 79.2 | Confident | 78.7 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | trans | -63.1 | 162 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T957 | G953-T957 VanDerWaalsContact C-OG1 3.29Å; G953-T957 VanDerWaalsContact CA-OG1 3.25Å; G953-T957 WeakPolarHBondContact CA-OG1 3.17Å | ||
| 954 | E | 83.8 | Confident | 78.4 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 51% | 0.514 | 38% | 0.381 | S | S | . | . | trans | -59.6 | 157 | 170.4 | 65.5 | 178 | 177 | 0 | 0 | 111.2 | Y944 N956 T957 | Y944-E954 HydrophobicContact CD2-CB 3.94Å; Y944-E954 HydrophobicContact CE2-CB 3.74Å; E954-N956 PolarHBondContact O-N 3.39Å; E954-T957 HydrophobicContact CG-CG2 3.58Å; E954-T957 PolarHBondContact N-OG1 3.36Å; E954-T957 PolarHBondContact O-N 3.24Å; E954-T957 PolarHBondContact O-OG1 2.92Å | ||
| 955 | P | 83.7 | Confident | 78 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 12% | 0.117 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -50.4 | -33.8 | -169.3 | -27.6 | 31.2 | 0 | 0 | 0 | 115.3 | L925 Y944 W970 L1009 R1011 | L925-P955 HydrophobicContact CD2-CB 4.22Å; L925-P955 HydrophobicContact CD2-CG 3.66Å; Y944-P955 HydrophobicContact CD1-CG 4.39Å; Y944-P955 HydrophobicContact CE1-CG 3.8Å; Y944-P955 VanDerWaalsContact CZ-CD 3.47Å; P955-W970 VanDerWaalsContact CB-CD1 3.4Å; P955-W970 HydrophobicContact CB-CD2 4.07Å; P955-W970 HydrophobicContact CB-CG 3.84Å; P955-W970 VanDerWaalsContact CB-NE1 3.34Å; P955-W970 PolarHBondContact O-NE1 2.72Å; P955-L1009 HydrophobicContact CG-CD1 4.06Å; P955-R1011 PolarHBondContact O-NH2 2.83Å |
| 956 | N | 82.1 | Confident | 78.1 | Confident | 140 Ų | 140 | 68.9 Ų | 68.9 | 75% | 0.749 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -83.1 | -9.4 | -178.8 | -65.3 | -19.6 | 0 | 0 | 0 | 114.5 | E954 | E954-N956 PolarHBondContact O-N 3.39Š|
| 957 | T | 83.4 | Confident | 78.2 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -97.3 | -0.4 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | G953 E954 E959 | G953-T957 VanDerWaalsContact C-OG1 3.29Å; G953-T957 VanDerWaalsContact CA-OG1 3.25Å; G953-T957 WeakPolarHBondContact CA-OG1 3.17Å; E954-T957 HydrophobicContact CG-CG2 3.58Å; E954-T957 PolarHBondContact N-OG1 3.36Å; E954-T957 PolarHBondContact O-N 3.24Å; E954-T957 PolarHBondContact O-OG1 2.92Å; T957-E959 PolarHBondContact O-N 2.87Å |
| 958 | V | 81.5 | Confident | 78.5 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | trans | -74.1 | 109.2 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | E923 L925 W966 W970 | E923-V958 HydrophobicContact CG-CG1 4.16Å; L925-V958 HydrophobicContact CD1-CG2 4.37Å; V958-W966 HydrophobicContact CG1-CH2 4.11Å; V958-W966 HydrophobicContact CG1-CZ2 4.19Å; V958-W970 HydrophobicContact CB-CZ2 4.31Å; V958-W970 HydrophobicContact CG2-CZ2 3.98Å | ||
| 959 | E | 79.2 | Confident | 79.4 | Confident | 177 Ų | 177 | 69.3 Ų | 69.3 | 83% | 0.827 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 144.7 | 179.5 | -63.1 | -176.4 | 160.4 | 0 | 0 | 112.7 | T957 | T957-E959 PolarHBondContact O-N 2.87Š|
| 960 | L | 78.2 | Confident | 80.5 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 133.2 | 170.1 | -82 | 161.7 | 0 | 0 | 0 | 110.5 | W964 W966 R1013 | L960-W964 HydrophobicContact CD2-CB 3.93Å; L960-W966 HydrophobicContact CD1-CG 4.16Å; L960-W966 HydrophobicContact CD2-CD2 3.67Å; L960-W966 VanDerWaalsContact CD2-CE2 3.45Å; L960-W966 HydrophobicContact CD2-CE3 4.18Å; L960-W966 HydrophobicContact CD2-CG 4.04Å; L960-W966 HydrophobicContact CD2-CH2 4.23Å; L960-W966 HydrophobicContact CD2-CZ2 3.73Å; L960-W966 HydrophobicContact CD2-CZ3 4.45Å; L960-W966 HydrophobicContact CG-CD2 4.14Å; L960-W966 VanDerWaalsContact CG-CE2 3.49Å; L960-W966 HydrophobicContact CG-CG 4.29Å; L960-W966 HydrophobicContact CG-CZ2 3.84Å; L960-R1013 HydrophobicContact CD2-CB 4.15Å |
| 961 | P | 74.3 | Confident | 81.5 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 152.6 | 165.2 | -20.4 | 33.4 | 0 | 0 | 0 | 111.5 | G963 W964 | P961-G963 PolarHBondContact O-N 3.4Å; P961-W964 HydrophobicContact CB-CG 4.4Å; P961-W964 WeakPolarHBondContact O-CB 3.3Å; P961-W964 PolarHBondContact O-N 2.83Å; P961-W964 VanDerWaalsContact O-N 3.11Å |
| 962 | S | 71.3 | Confident | 82 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 72% | 0.72 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 131.7 | 179.7 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 963 | G | 69.9 | Low | 82.4 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -1.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | P961 L1015 G1016 | P961-G963 PolarHBondContact O-N 3.4Å; G963-L1015 WeakPolarHBondContact O-CD1 3.46Å; G963-G1016 PolarHBondContact O-N 2.89Å |
| 964 | W | 80.4 | Confident | 82.8 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 11% | 0.106 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 151.1 | 178.9 | -67 | 74.6 | 0 | 0 | 0 | 113 | K918 F921 L960 P961 R1013 I1014 L1015 | K918-W964 WeakPolarHBondContact O-CH2 3.34Å; K918-W964 VanDerWaalsContact O-CZ2 3.28Å; K918-W964 WeakPolarHBondContact O-CZ2 3.41Å; F921-W964 HydrophobicContact CB-CH2 4.03Å; F921-W964 HydrophobicContact CB-CZ3 3.98Å; L960-W964 HydrophobicContact CD2-CB 3.93Å; P961-W964 HydrophobicContact CB-CG 4.4Å; P961-W964 WeakPolarHBondContact O-CB 3.3Å; P961-W964 PolarHBondContact O-N 2.83Å; P961-W964 VanDerWaalsContact O-N 3.11Å; W964-R1013 HydrophobicContact CD2-CG 4.41Å; W964-R1013 HydrophobicContact CE3-CB 3.79Å; W964-R1013 HydrophobicContact CE3-CG 3.58Å; W964-R1013 HydrophobicContact CZ3-CB 4.4Å; W964-R1013 HydrophobicContact CZ3-CG 3.9Å; W964-R1013 WeakPolarHBondContact CZ3-O 3.48Å; W964-I1014 CarbonylContact C-O 3.53Å; W964-I1014 WeakPolarHBondContact CA-O 3.21Å; W964-L1015 HydrophobicContact CD2-CB 4.46Å; W964-L1015 HydrophobicContact CD2-CD1 3.91Å; W964-L1015 HydrophobicContact CG-CD1 3.92Å; W964-L1015 HydrophobicContact CZ2-CD1 4.23Å |
| 965 | T | 82.3 | Confident | 82.8 | Confident | 33 Ų | 33 | 72 Ų | 72 | 20% | 0.202 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.7 | 167.4 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | R1013 I1014 G1016 V1018 | T965-R1013 CarbonylContact O-C 3.59Å; T965-R1013 VanDerWaalsContact O-CA 3.22Å; T965-R1013 WeakPolarHBondContact O-CA 3.34Å; T965-R1013 WeakPolarHBondContact O-CB 3.07Å; T965-I1014 PolarHBondContact N-O 2.97Å; T965-I1014 PolarHBondContact O-N 3.1Å; T965-G1016 WeakPolarHBondContact CB-O 2.98Å; T965-G1016 WeakPolarHBondContact CG2-O 3.22Å; T965-G1016 PolarHBondContact OG1-O 2.97Å; T965-V1018 WeakPolarHBondContact OG1-CG2 3.25Å |
| 966 | W | 86.9 | Confident | 82.6 | Confident | 55 Ų | 55 | 75.1 Ų | 75.1 | 21% | 0.208 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.7 | 172.8 | -64.9 | 119.7 | 0 | 0 | 0 | 109.7 | E923 V958 L960 R1011 R1013 V1018 | E923-W966 HydrophobicContact CB-CH2 4.1Å; E923-W966 HydrophobicContact CB-CZ3 3.88Å; E923-W966 HydrophobicContact CG-CH2 4.12Å; E923-W966 HydrophobicContact CG-CZ3 4.41Å; V958-W966 HydrophobicContact CG1-CH2 4.11Å; V958-W966 HydrophobicContact CG1-CZ2 4.19Å; L960-W966 HydrophobicContact CD1-CG 4.16Å; L960-W966 HydrophobicContact CD2-CD2 3.67Å; L960-W966 VanDerWaalsContact CD2-CE2 3.45Å; L960-W966 HydrophobicContact CD2-CE3 4.18Å; L960-W966 HydrophobicContact CD2-CG 4.04Å; L960-W966 HydrophobicContact CD2-CH2 4.23Å; L960-W966 HydrophobicContact CD2-CZ2 3.73Å; L960-W966 HydrophobicContact CD2-CZ3 4.45Å; L960-W966 HydrophobicContact CG-CD2 4.14Å; L960-W966 VanDerWaalsContact CG-CE2 3.49Å; L960-W966 HydrophobicContact CG-CG 4.29Å; L960-W966 HydrophobicContact CG-CZ2 3.84Å; W966-R1011 HydrophobicContact CD2-CG 4.45Å; W966-R1011 VanDerWaalsContact CD2-CZ 3.41Å; W966-R1011 HydrophobicContact CE3-CG 3.78Å; W966-R1011 HydrophobicContact CZ3-CG 4.28Å; W966-R1013 HydrophobicContact CE3-CB 3.72Å; W966-R1013 HydrophobicContact CE3-CG 4.49Å; W966-R1013 HydrophobicContact CZ3-CB 3.77Å; W966-R1013 HydrophobicContact CZ3-CG 4.04Å; W966-V1018 VanDerWaalsContact O-CG2 3.23Å; W966-V1018 WeakPolarHBondContact O-CG2 3.22Å |
| 967 | A | 82 | Confident | 82.6 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | trans | -82.1 | -29.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1012 I1014 | A967-S1012 PolarHBondContact N-O 2.88Å; A967-I1014 HydrophobicContact CB-CD1 4.16Å; A967-I1014 HydrophobicContact CB-CG1 4.06Å; A967-I1014 HydrophobicContact CB-CG2 4.12Å | ||
| 968 | D | 84.1 | Confident | 83 | Confident | 45 Ų | 45 | 71 Ų | 71 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -148.7 | 177.1 | 178.8 | 61.7 | -13.2 | 0 | 0 | 0 | 112.1 | K971 R1011 S1012 | D968-K971 IonicContact OD2-NZ 2.91Å; D968-K971 PolarHBondContact OD2-NZ 3.29Å; D968-R1011 WeakPolarHBondContact O-CD 3.5Å; D968-R1011 WeakPolarHBondContact O-CG 3.43Å; D968-S1012 WeakPolarHBondContact OD1-CA 3.46Å; D968-S1012 VanDerWaalsContact OD1-CB 3.31Å; D968-S1012 WeakPolarHBondContact OD1-CB 3.35Å; D968-S1012 PolarHBondContact OD1-N 2.8Å |
| 969 | D | 88.4 | Confident | 83.4 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 68% | 0.684 | 38% | 0.383 | S | S | * | . | trans | -85.8 | 163.8 | 172.3 | -74.3 | -48.6 | 0 | 0 | 0 | 112.2 | K971 | D969-K971 PolarHBondContact O-N 3.42Š| ||
| 970 | W | 90.2 | Very high | 83.8 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | trans | -61.2 | 128.1 | 176.2 | -72.1 | 101.1 | 0 | 0 | 0 | 112.3 | E923 L925 P955 V958 L1009 I1010 R1011 | E923-W970 HydrophobicContact CB-CH2 4.3Å; E923-W970 HydrophobicContact CG-CH2 4.13Å; L925-W970 HydrophobicContact CB-CE3 4.44Å; L925-W970 HydrophobicContact CB-CH2 3.71Å; L925-W970 HydrophobicContact CB-CZ3 3.66Å; P955-W970 VanDerWaalsContact CB-CD1 3.4Å; P955-W970 HydrophobicContact CB-CD2 4.07Å; P955-W970 HydrophobicContact CB-CG 3.84Å; P955-W970 VanDerWaalsContact CB-NE1 3.34Å; P955-W970 PolarHBondContact O-NE1 2.72Å; V958-W970 HydrophobicContact CB-CZ2 4.31Å; V958-W970 HydrophobicContact CG2-CZ2 3.98Å; W970-L1009 HydrophobicContact CE3-CB 3.75Å; W970-L1009 HydrophobicContact CZ3-CB 4.24Å; W970-L1009 WeakPolarHBondContact CZ3-O 3.5Å; W970-I1010 WeakPolarHBondContact CA-O 3.22Å; W970-I1010 VanDerWaalsContact CE3-C 3.46Å; W970-R1011 HydrophobicContact CD2-CB 3.59Å; W970-R1011 HydrophobicContact CE3-CB 3.65Å; W970-R1011 HydrophobicContact CG-CB 4.03Å; W970-R1011 HydrophobicContact CH2-CB 4.36Å; W970-R1011 HydrophobicContact CZ2-CB 4.33Å; W970-R1011 HydrophobicContact CZ3-CB 4.04Å | ||
| 971 | K | 91.4 | Very high | 84.4 | Confident | 110 Ų | 110 | 73.7 Ų | 73.7 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 156.9 | 178.9 | -65.9 | 159.3 | -167.8 | 166.2 | 0 | 110.7 | D968 D969 L1009 I1010 | D968-K971 IonicContact OD2-NZ 2.91Å; D968-K971 PolarHBondContact OD2-NZ 3.29Å; D969-K971 PolarHBondContact O-N 3.42Å; K971-L1009 CarbonylContact O-C 3.4Å; K971-L1009 VanDerWaalsContact O-CA 3.25Å; K971-L1009 WeakPolarHBondContact O-CA 3.23Å; K971-I1010 PolarHBondContact N-O 3.14Å; K971-I1010 PolarHBondContact O-N 2.72Å |
| 972 | I | 90.7 | Very high | 85.1 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 132.2 | 171.2 | -59 | 170.3 | 0 | 0 | 0 | 108.4 | Y974 R1007 L1009 | I972-Y974 HydrophobicContact CB-CD2 4.34Å; I972-Y974 HydrophobicContact CB-CE2 3.73Å; I972-Y974 HydrophobicContact CG2-CD1 4.47Å; I972-Y974 HydrophobicContact CG2-CD2 4.22Å; I972-Y974 HydrophobicContact CG2-CE1 4.06Å; I972-Y974 HydrophobicContact CG2-CE2 3.78Å; I972-Y974 WeakPolarHBondContact O-CD2 3.09Å; I972-Y974 PolarHBondContact O-N 3.26Å; I972-R1007 HydrophobicContact CG1-CG 4.39Å; I972-R1007 HydrophobicContact CG2-CG 3.98Å; I972-L1009 HydrophobicContact CG1-CD2 3.94Å |
| 973 | D | 87.9 | Confident | 86.1 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.043 | 35% | 0.346 | C | S | . | . | trans | -87.2 | 101.6 | 177.3 | 178.4 | 24.9 | 0 | 0 | 0 | 111.9 | N975 R976 R1008 I1010 | D973-N975 WeakPolarHBondContact OD1-CB 3.44Å; D973-N975 PolarHBondContact OD1-N 2.94Å; D973-R976 WeakPolarHBondContact OD2-CD 3.04Å; D973-R976 WeakPolarHBondContact OD2-CG 3.49Å; D973-R1008 HydrophobicContact CB-CB 4.23Å; D973-R1008 HydrophobicContact CB-CG 4.26Å; D973-R1008 PolarHBondContact N-O 2.92Å; D973-R1008 WeakPolarHBondContact OD2-CD 3.49Å; D973-R1008 IonicContact OD2-CZ 3.81Å; D973-R1008 IonicContact OD2-NE 3.72Å; D973-R1008 IonicContact OD2-NH1 3.73Å; D973-R1008 PolarHBondContact OD2-NH1 3.27Å; D973-I1010 HydrophobicContact CB-CD1 3.9Å; D973-I1010 HydrophobicContact CB-CG1 4.04Å; D973-I1010 HydrophobicContact CB-CG2 4.07Å | ||
| 974 | Y | 88.1 | Confident | 87.2 | Confident | 127 Ų | 127 | 65.2 Ų | 65.2 | 50% | 0.498 | 33% | 0.327 | S | S | . | . | trans | -88.2 | -2.7 | 175.7 | -64.9 | -78.5 | 0 | 0 | 0 | 113.9 | I972 R976 | I972-Y974 HydrophobicContact CB-CD2 4.34Å; I972-Y974 HydrophobicContact CB-CE2 3.73Å; I972-Y974 HydrophobicContact CG2-CD1 4.47Å; I972-Y974 HydrophobicContact CG2-CD2 4.22Å; I972-Y974 HydrophobicContact CG2-CE1 4.06Å; I972-Y974 HydrophobicContact CG2-CE2 3.78Å; I972-Y974 WeakPolarHBondContact O-CD2 3.09Å; I972-Y974 PolarHBondContact O-N 3.26Å; Y974-R976 PolarHBondContact O-N 3.28Å | ||
| 975 | N | 82 | Confident | 87.7 | Confident | 155 Ų | 155 | 64.1 Ų | 64.1 | 83% | 0.829 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -80.9 | 27.7 | -179.1 | -70.3 | -27.2 | 0 | 0 | 0 | 112.8 | D973 | D973-N975 WeakPolarHBondContact OD1-CB 3.44Å; D973-N975 PolarHBondContact OD1-N 2.94Å |
| 976 | R | 81 | Confident | 88.1 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -143.2 | 158.1 | -175.1 | -63.8 | -177.7 | 63.6 | -99.2 | -5.4 | 110.1 | D973 Y974 C978 E984 | D973-R976 WeakPolarHBondContact OD2-CD 3.04Å; D973-R976 WeakPolarHBondContact OD2-CG 3.49Å; Y974-R976 PolarHBondContact O-N 3.28Å; R976-C978 PolarHBondContact O-N 3.09Å; R976-C978 PolarHBondContact O-SG 3.24Å; R976-E984 IonicContact CZ-OE2 2.94Å; R976-E984 IonicContact NH1-OE1 2.75Å; R976-E984 IonicContact NH1-OE2 2.78Å; R976-E984 PolarHBondContact NH1-OE2 2.78Å; R976-E984 IonicContact NH2-OE1 4Å; R976-E984 IonicContact NH2-OE2 3.75Å; R976-E984 PolarHBondContact NH2-OE2 2.85Å |
| 977 | P | 82.3 | Confident | 87.9 | Confident | 101 Ų | 101 | 63.8 Ų | 63.8 | 66% | 0.656 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -64.3 | 98.1 | 175.3 | -21.2 | 34.1 | 0 | 0 | 0 | 112 | A996 | P977-A996 HydrophobicContact CB-CB 4.09Š|
| 978 | C | 89.9 | Confident | 87.5 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | trans | -140.5 | 173.5 | 178 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | R976 F983 | R976-C978 PolarHBondContact O-N 3.09Å; R976-C978 PolarHBondContact O-SG 3.24Å; C978-F983 WeakPolarHBondContact CA-O 3.31Å; C978-F983 WeakPolarHBondContact CB-O 3.46Å | ||
| 979 | D | 90.8 | Very high | 86.8 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 21% | 0.214 | 34% | 0.34 | C | S | . | . | trans | -82.5 | -176.8 | 171.8 | 70.6 | 8.2 | 0 | 0 | 0 | 113.1 | D981 G982 F983 Y985 | D979-D981 PolarHBondContact O-N 2.87Å; D979-D981 WeakPolarHBondContact OD1-CA 3.33Å; D979-D981 PolarHBondContact OD1-N 3.11Å; D979-G982 PolarHBondContact O-N 3.12Å; D979-G982 PolarHBondContact OD1-N 3.32Å; D979-F983 PolarHBondContact N-O 3.14Å; D979-F983 PolarHBondContact OD1-N 2.83Å; D979-Y985 HydrophobicContact CB-CE2 4.26Å; D979-Y985 WeakPolarHBondContact OD2-CE2 3.3Å; D979-Y985 VanDerWaalsContact OD2-CZ 3.25Å; D979-Y985 PolarHBondContact OD2-OH 3.32Å | ||
| 980 | E | 88.4 | Confident | 85.7 | Confident | 187 Ų | 187 | 65 Ų | 65 | 87% | 0.874 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.5 | -179.4 | -60.4 | -175.9 | 170.4 | 0 | 0 | 113.4 | ||
| 981 | D | 89.6 | Confident | 84.3 | Confident | 98 Ų | 98 | 67.6 Ų | 67.6 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -2.9 | 175.8 | -76.7 | -34 | 0 | 0 | 0 | 112.9 | D979 F983 R1007 | D979-D981 PolarHBondContact O-N 2.87Å; D979-D981 WeakPolarHBondContact OD1-CA 3.33Å; D979-D981 PolarHBondContact OD1-N 3.11Å; D981-F983 HydrophobicContact CB-CD2 3.71Å; D981-F983 HydrophobicContact CB-CE2 4.14Å; D981-R1007 WeakPolarHBondContact O-CD 3.49Å |
| 982 | G | 88.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 81.5 | 16.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | D979 R1007 | D979-G982 PolarHBondContact O-N 3.12Å; D979-G982 PolarHBondContact OD1-N 3.32Å; G982-R1007 WeakPolarHBondContact O-CA 3.32Å; G982-R1007 WeakPolarHBondContact O-CG 3.44Å |
| 983 | F | 93.9 | Very high | 82 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 143.1 | 176.9 | -74.5 | -81.9 | 0 | 0 | 0 | 112.7 | Y927 E929 C978 D979 D981 Y985 R1005 R1006 R1007 | Y927-F983 HydrophobicContact CD1-CE1 4.21Å; Y927-F983 HydrophobicContact CD1-CZ 4.23Å; Y927-F983 HydrophobicContact CE1-CE1 4.4Å; Y927-F983 HydrophobicContact CE1-CZ 4.15Å; E929-F983 HydrophobicContact CG-CE1 4.26Å; E929-F983 HydrophobicContact CG-CZ 4.46Å; C978-F983 WeakPolarHBondContact CA-O 3.31Å; C978-F983 WeakPolarHBondContact CB-O 3.46Å; D979-F983 PolarHBondContact N-O 3.14Å; D979-F983 PolarHBondContact OD1-N 2.83Å; D981-F983 HydrophobicContact CB-CD2 3.71Å; D981-F983 HydrophobicContact CB-CE2 4.14Å; F983-Y985 HydrophobicContact CB-CE2 4.03Å; F983-R1005 HydrophobicContact CB-CB 4.36Å; F983-R1005 HydrophobicContact CB-CG 4.46Å; F983-R1005 HydrophobicContact CD1-CB 3.97Å; F983-R1005 HydrophobicContact CD1-CG 3.46Å; F983-R1005 VanDerWaalsContact CD1-CG 3.46Å; F983-R1005 HydrophobicContact CE1-CG 3.83Å; F983-R1005 HydrophobicContact CG-CB 4.48Å; F983-R1005 HydrophobicContact CG-CG 4.09Å; F983-R1006 CarbonylContact C-O 3.59Å; F983-R1006 WeakPolarHBondContact CA-O 3.28Å; F983-R1007 HydrophobicContact CD1-CB 3.79Å; F983-R1007 HydrophobicContact CE1-CB 3.82Å; F983-R1007 HydrophobicContact CG-CB 4.28Å; F983-R1007 HydrophobicContact CZ-CB 4.32Å |
| 984 | E | 92.2 | Very high | 82 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.028 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.1 | 165.2 | 61.2 | 178.5 | -154.4 | 0 | 0 | 109.2 | R976 Y994 R1005 R1006 | R976-E984 IonicContact CZ-OE2 2.94Å; R976-E984 IonicContact NH1-OE1 2.75Å; R976-E984 IonicContact NH1-OE2 2.78Å; R976-E984 PolarHBondContact NH1-OE2 2.78Å; R976-E984 IonicContact NH2-OE1 4Å; R976-E984 IonicContact NH2-OE2 3.75Å; R976-E984 PolarHBondContact NH2-OE2 2.85Å; E984-Y994 HydrophobicContact CB-CD1 4.46Å; E984-Y994 HydrophobicContact CG-CD1 3.88Å; E984-Y994 HydrophobicContact CG-CG 4.04Å; E984-Y994 WeakPolarHBondContact O-CD1 3.39Å; E984-R1005 CarbonylContact O-C 3.58Å; E984-R1005 VanDerWaalsContact O-CA 3.22Å; E984-R1005 WeakPolarHBondContact O-CA 3.17Å; E984-R1006 HydrophobicContact CG-CG 3.77Å; E984-R1006 WeakPolarHBondContact CG-O 3.42Å; E984-R1006 PolarHBondContact N-O 2.76Å; E984-R1006 PolarHBondContact O-N 3.03Å; E984-R1006 IonicContact OE1-CZ 2.67Å; E984-R1006 IonicContact OE1-NE 2.62Å; E984-R1006 PolarHBondContact OE1-NE 2.97Å; E984-R1006 IonicContact OE1-NH2 2.71Å; E984-R1006 PolarHBondContact OE1-NH2 3.21Å |
| 985 | Y | 92.1 | Very high | 81.9 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 2% | 0.02 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.6 | -164.2 | -65 | -94 | 0 | 0 | 0 | 112.9 | W937 D979 F983 Y994 V995 E998 H1002 R1005 | W937-Y985 AromaticContact CE2-CE1 3.99Å; W937-Y985 HydrophobicContact CH2-CD1 4.01Å; W937-Y985 HydrophobicContact CH2-CE1 4.25Å; W937-Y985 AromaticContact CZ2-CD1 3.62Å; W937-Y985 HydrophobicContact CZ2-CD1 3.62Å; W937-Y985 AromaticContact CZ2-CE1 3.48Å; W937-Y985 HydrophobicContact CZ2-CE1 3.48Å; W937-Y985 VanDerWaalsContact CZ2-CE1 3.48Å; D979-Y985 HydrophobicContact CB-CE2 4.26Å; D979-Y985 WeakPolarHBondContact OD2-CE2 3.3Å; D979-Y985 VanDerWaalsContact OD2-CZ 3.25Å; D979-Y985 PolarHBondContact OD2-OH 3.32Å; F983-Y985 HydrophobicContact CB-CE2 4.03Å; Y985-Y994 CarbonylContact O-C 3.55Å; Y985-Y994 VanDerWaalsContact O-CA 3.27Å; Y985-Y994 WeakPolarHBondContact O-CA 3.36Å; Y985-V995 PolarHBondContact N-O 2.74Å; Y985-V995 PolarHBondContact O-N 2.81Å; Y985-E998 HydrophobicContact CD1-CB 4.01Å; Y985-E998 HydrophobicContact CD1-CG 3.72Å; Y985-E998 HydrophobicContact CD2-CB 4.28Å; Y985-E998 HydrophobicContact CE1-CB 3.74Å; Y985-E998 HydrophobicContact CE1-CG 3.52Å; Y985-E998 WeakPolarHBondContact CE1-OE2 3.33Å; Y985-E998 HydrophobicContact CE2-CB 4.08Å; Y985-E998 HydrophobicContact CG-CB 4.28Å; Y985-E998 HydrophobicContact CG-CG 4.42Å; Y985-H1002 WeakPolarHBondContact CB-ND1 3.16Å; Y985-H1002 HydrophobicContact CD1-CB 4.44Å; Y985-R1005 HydrophobicContact CD1-CB 3.64Å; Y985-R1005 HydrophobicContact CE1-CB 3.78Å; Y985-R1005 VanDerWaalsContact CE1-CD 3.5Å; Y985-R1005 HydrophobicContact CE1-CG 4.27Å; Y985-R1005 HydrophobicContact CG-CB 4.23Å; Y985-R1005 PolarHBondContact OH-NH1 3.32Å; Y985-R1005 VanDerWaalsContact OH-NH1 3.12Å |
| 986 | T | 88.8 | Confident | 82.3 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 168 | 173.7 | -162.8 | 0 | 0 | 0 | 0 | 112.9 | E988 G993 Y994 H1002 M1003 F1004 | T986-E988 VanDerWaalsContact CG2-O 3.26Å; T986-E988 WeakPolarHBondContact CG2-O 3.49Å; T986-G993 VanDerWaalsContact CB-O 3.3Å; T986-G993 WeakPolarHBondContact CB-O 3.43Å; T986-G993 PolarHBondContact OG1-O 3.46Å; T986-Y994 HydrophobicContact CG2-CD1 3.81Å; T986-Y994 HydrophobicContact CG2-CE1 3.3Å; T986-Y994 HydrophobicContact CG2-CE2 4.18Å; T986-Y994 HydrophobicContact CG2-CG 4.45Å; T986-Y994 VanDerWaalsContact CG2-CZ 3.5Å; T986-H1002 CarbonylContact O-C 3.44Å; T986-H1002 VanDerWaalsContact O-CA 3.28Å; T986-H1002 WeakPolarHBondContact O-CA 3.31Å; T986-H1002 WeakPolarHBondContact O-CB 3.22Å; T986-M1003 PolarHBondContact O-N 3.13Å; T986-M1003 VanDerWaalsContact O-N 3.16Å; T986-F1004 HydrophobicContact CG2-CB 3.82Å; T986-F1004 PolarHBondContact N-O 3.39Å; T986-F1004 PolarHBondContact O-N 3.15Å; T986-F1004 VanDerWaalsContact O-N 3.16Å; T986-F1004 VanDerWaalsContact O-O 3.08Å |
| 987 | V | 83 | Confident | 82.6 | Confident | 76 Ų | 76 | 56.6 Ų | 56.6 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -73.3 | -45.5 | 175.6 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | Y1001 M1003 | V987-Y1001 HydrophobicContact CG2-CD2 3.86Å; V987-Y1001 HydrophobicContact CG2-CE2 3.89Å; V987-M1003 WeakPolarHBondContact O-CB 3.49Å |
| 988 | E | 75.2 | Confident | 82.8 | Confident | 106 Ų | 106 | 56 Ų | 56 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -144.6 | 135.7 | -178.5 | -172.5 | -167.9 | 153.2 | 0 | 0 | 109 | T986 S990 T991 | T986-E988 VanDerWaalsContact CG2-O 3.26Å; T986-E988 WeakPolarHBondContact CG2-O 3.49Å; E988-S990 WeakPolarHBondContact CG-OG 3.49Å; E988-S990 PolarHBondContact O-N 2.87Å; E988-S990 VanDerWaalsContact O-N 3.1Å; E988-S990 PolarHBondContact OE1-OG 2.97Å; E988-T991 PolarHBondContact O-N 3.05Å; E988-T991 VanDerWaalsContact O-N 3.11Å; E988-T991 PolarHBondContact O-OG1 2.74Å |
| 989 | A | 68.9 | Low | 82.7 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -59.5 | -28.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y994 F1004 | A989-Y994 WeakPolarHBondContact CA-OH 3.14Å; A989-Y994 PolarHBondContact O-OH 2.69Å; A989-F1004 HydrophobicContact CB-CB 4.36Å; A989-F1004 HydrophobicContact CB-CD1 3.75Å; A989-F1004 HydrophobicContact CB-CD2 4.49Å; A989-F1004 HydrophobicContact CB-CE1 4.1Å; A989-F1004 HydrophobicContact CB-CG 3.95Å |
| 990 | S | 65 | Low | 82.3 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 62% | 0.622 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -70.5 | -23.9 | 180 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | E988 G992 | E988-S990 WeakPolarHBondContact CG-OG 3.49Å; E988-S990 PolarHBondContact O-N 2.87Å; E988-S990 VanDerWaalsContact O-N 3.1Å; E988-S990 PolarHBondContact OE1-OG 2.97Å; S990-G992 PolarHBondContact O-N 2.79Å |
| 991 | T | 59.6 | Low | 82.1 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -85.4 | -7.8 | -168.8 | -17.2 | 0 | 0 | 0 | 0 | 113.8 | E988 G993 | E988-T991 PolarHBondContact O-N 3.05Å; E988-T991 VanDerWaalsContact O-N 3.11Å; E988-T991 PolarHBondContact O-OG1 2.74Å; T991-G993 PolarHBondContact O-N 3.4Å |
| 992 | G | 61.3 | Low | 82 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 55% | 0.546 | 34% | 0.339 | S | S | . | . | trans | 66.9 | -14.5 | 174 | 0 | 0 | 0 | 0 | 0 | 117 | S990 Y994 | S990-G992 PolarHBondContact O-N 2.79Å; G992-Y994 WeakPolarHBondContact O-CD2 3.26Å; G992-Y994 PolarHBondContact O-N 2.88Å | ||
| 993 | G | 73.8 | Confident | 82.1 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 49% | 0.485 | 35% | 0.353 | S | S | . | . | trans | -78.2 | 84.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T986 T991 | T986-G993 VanDerWaalsContact CB-O 3.3Å; T986-G993 WeakPolarHBondContact CB-O 3.43Å; T986-G993 PolarHBondContact OG1-O 3.46Å; T991-G993 PolarHBondContact O-N 3.4Å | ||
| 994 | Y | 86.6 | Confident | 81.9 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | trans | -93 | 142.4 | 174.7 | -68.5 | -92.9 | 0 | 0 | 0 | 111.9 | E984 Y985 T986 A989 G992 R1006 | E984-Y994 HydrophobicContact CB-CD1 4.46Å; E984-Y994 HydrophobicContact CG-CD1 3.88Å; E984-Y994 HydrophobicContact CG-CG 4.04Å; E984-Y994 WeakPolarHBondContact O-CD1 3.39Å; Y985-Y994 CarbonylContact O-C 3.55Å; Y985-Y994 VanDerWaalsContact O-CA 3.27Å; Y985-Y994 WeakPolarHBondContact O-CA 3.36Å; T986-Y994 HydrophobicContact CG2-CD1 3.81Å; T986-Y994 HydrophobicContact CG2-CE1 3.3Å; T986-Y994 HydrophobicContact CG2-CE2 4.18Å; T986-Y994 HydrophobicContact CG2-CG 4.45Å; T986-Y994 VanDerWaalsContact CG2-CZ 3.5Å; A989-Y994 WeakPolarHBondContact CA-OH 3.14Å; A989-Y994 PolarHBondContact O-OH 2.69Å; G992-Y994 WeakPolarHBondContact O-CD2 3.26Å; G992-Y994 PolarHBondContact O-N 2.88Å; Y994-R1006 HydrophobicContact CD1-CG 3.93Å; Y994-R1006 HydrophobicContact CE1-CB 4.34Å; Y994-R1006 HydrophobicContact CE1-CG 3.55Å; Y994-R1006 VanDerWaalsContact CZ-CD 3.47Å | ||
| 995 | V | 88 | Confident | 82 | Confident | 66 Ų | 66 | 63.1 Ų | 63.1 | 40% | 0.4 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -134.2 | 150.9 | 178.6 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | Y985 A997 H1002 | Y985-V995 PolarHBondContact N-O 2.74Å; Y985-V995 PolarHBondContact O-N 2.81Å; V995-A997 VanDerWaalsContact C-N 3.35Å; V995-A997 PolarHBondContact O-N 3.09Å; V995-H1002 WeakPolarHBondContact CG2-CE1 3.35Å |
| 996 | A | 88.4 | Confident | 82 | Confident | 32 Ų | 32 | 64 Ų | 64 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -65.6 | -32.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P977 | P977-A996 HydrophobicContact CB-CB 4.09Š|
| 997 | A | 88.2 | Confident | 82.2 | Confident | 61 Ų | 61 | 66.7 Ų | 66.7 | 50% | 0.504 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -92.4 | 125 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V995 H1002 | V995-A997 VanDerWaalsContact C-N 3.35Å; V995-A997 PolarHBondContact O-N 3.09Å; A997-H1002 PolarHBondContact O-CE1 3.47Å; A997-H1002 VanDerWaalsContact O-CE1 3.3Å; A997-H1002 PolarHBondContact O-ND1 2.9Å |
| 998 | E | 87.1 | Confident | 82.7 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | trans | -61.5 | 139 | 171 | -165 | -173.2 | 112.8 | 0 | 0 | 110.9 | R931 W937 Y985 | R931-E998 IonicContact CZ-OE1 2.79Å; R931-E998 IonicContact CZ-OE2 3.62Å; R931-E998 IonicContact NH1-OE1 3.66Å; R931-E998 PolarHBondContact NH1-OE1 2.78Å; R931-E998 IonicContact NH1-OE2 3.27Å; R931-E998 PolarHBondContact NH1-OE2 2.65Å; R931-E998 IonicContact NH2-OE1 2.81Å; R931-E998 PolarHBondContact NH2-OE1 3.32Å; R931-E998 IonicContact NH2-OE2 3.14Å; W937-E998 HydrophobicContact CZ2-CG 4.49Å; W937-E998 PolarHBondContact NE1-OE2 3.39Å; Y985-E998 HydrophobicContact CD1-CB 4.01Å; Y985-E998 HydrophobicContact CD1-CG 3.72Å; Y985-E998 HydrophobicContact CD2-CB 4.28Å; Y985-E998 HydrophobicContact CE1-CB 3.74Å; Y985-E998 HydrophobicContact CE1-CG 3.52Å; Y985-E998 WeakPolarHBondContact CE1-OE2 3.33Å; Y985-E998 HydrophobicContact CE2-CB 4.08Å; Y985-E998 HydrophobicContact CG-CB 4.28Å; Y985-E998 HydrophobicContact CG-CG 4.42Å | ||
| 999 | K | 87.6 | Confident | 83.5 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | trans | -131.8 | 152.5 | 169.6 | -61.7 | 179 | 179.7 | 175.6 | 0 | 109.3 | R931 Y1001 H1002 | R931-K999 PolarHBondContact NH2-O 2.72Å; R931-K999 VanDerWaalsContact NH2-O 3.08Å; K999-Y1001 HydrophobicContact CB-CD1 4.15Å; K999-Y1001 HydrophobicContact CB-CE1 3.86Å; K999-Y1001 HydrophobicContact CB-CE2 4.5Å; K999-Y1001 HydrophobicContact CD-CE1 3.74Å; K999-Y1001 HydrophobicContact CD-CE2 4.34Å; K999-Y1001 VanDerWaalsContact CD-CZ 3.48Å; K999-Y1001 WeakPolarHBondContact CD-OH 3.19Å; K999-Y1001 HydrophobicContact CG-CE1 4.42Å; K999-Y1001 PolarHBondContact NZ-OH 2.95Å; K999-Y1001 PolarHBondContact O-N 3.17Å; K999-H1002 PolarHBondContact N-ND1 3.45Å; K999-H1002 VanDerWaalsContact N-ND1 3.17Å; K999-H1002 WeakPolarHBondContact O-CB 3.45Å; K999-H1002 PolarHBondContact O-N 3.07Å | ||
| 1000 | L | 82.1 | Confident | 84.6 | Confident | 145 Ų | 145 | 61 Ų | 61 | 76% | 0.759 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27 | -176.5 | -74.4 | 166.4 | 0 | 0 | 0 | 114.4 | ||
| 1001 | Y | 83.9 | Confident | 85.8 | Confident | 123 Ų | 123 | 57.4 Ų | 57.4 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -2.3 | 179.2 | 62.1 | -102.1 | 0 | 0 | 0 | 114 | V987 K999 M1003 | V987-Y1001 HydrophobicContact CG2-CD2 3.86Å; V987-Y1001 HydrophobicContact CG2-CE2 3.89Å; K999-Y1001 HydrophobicContact CB-CD1 4.15Å; K999-Y1001 HydrophobicContact CB-CE1 3.86Å; K999-Y1001 HydrophobicContact CB-CE2 4.5Å; K999-Y1001 HydrophobicContact CD-CE1 3.74Å; K999-Y1001 HydrophobicContact CD-CE2 4.34Å; K999-Y1001 VanDerWaalsContact CD-CZ 3.48Å; K999-Y1001 WeakPolarHBondContact CD-OH 3.19Å; K999-Y1001 HydrophobicContact CG-CE1 4.42Å; K999-Y1001 PolarHBondContact NZ-OH 2.95Å; K999-Y1001 PolarHBondContact O-N 3.17Å; Y1001-M1003 PolarHBondContact O-N 2.76Å |
| 1002 | H | 88.6 | Confident | 87.2 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.032 | 30% | 0.297 | C | S | . | . | trans | -74 | 119.3 | 171.5 | -62.9 | 162.5 | 0 | 0 | 0 | 109.4 | R931 Y985 T986 V995 A997 K999 | R931-H1002 PolarHBondContact NE-O 2.79Å; R931-H1002 PolarHBondContact NH2-O 3.17Å; Y985-H1002 WeakPolarHBondContact CB-ND1 3.16Å; Y985-H1002 HydrophobicContact CD1-CB 4.44Å; T986-H1002 CarbonylContact O-C 3.44Å; T986-H1002 VanDerWaalsContact O-CA 3.28Å; T986-H1002 WeakPolarHBondContact O-CA 3.31Å; T986-H1002 WeakPolarHBondContact O-CB 3.22Å; V995-H1002 WeakPolarHBondContact CG2-CE1 3.35Å; A997-H1002 PolarHBondContact O-CE1 3.47Å; A997-H1002 VanDerWaalsContact O-CE1 3.3Å; A997-H1002 PolarHBondContact O-ND1 2.9Å; K999-H1002 PolarHBondContact N-ND1 3.45Å; K999-H1002 VanDerWaalsContact N-ND1 3.17Å; K999-H1002 WeakPolarHBondContact O-CB 3.45Å; K999-H1002 PolarHBondContact O-N 3.07Å | ||
| 1003 | M | 89.3 | Confident | 88.4 | Confident | 64 Ų | 64 | 52.4 Ų | 52.4 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | trans | -104.3 | -11.7 | -180 | -72.2 | 179.2 | 47.7 | 0 | 0 | 112.9 | F930 R931 P933 W937 T986 V987 Y1001 | F930-M1003 CarbonylContact C-O 3.51Å; F930-M1003 VanDerWaalsContact CA-O 3.24Å; F930-M1003 WeakPolarHBondContact CA-O 3.39Å; R931-M1003 PolarHBondContact N-O 2.94Å; R931-M1003 WeakPolarHBondContact O-CA 3.28Å; R931-M1003 VanDerWaalsContact O-CB 3.23Å; R931-M1003 WeakPolarHBondContact O-CB 3.25Å; R931-M1003 WeakPolarHBondContact O-CG 3.01Å; P933-M1003 HydrophobicContact CG-CG 4.46Å; W937-M1003 WeakPolarHBondContact CZ3-O 3.23Å; T986-M1003 PolarHBondContact O-N 3.13Å; T986-M1003 VanDerWaalsContact O-N 3.16Å; V987-M1003 WeakPolarHBondContact O-CB 3.49Å; Y1001-M1003 PolarHBondContact O-N 2.76Å | ||
| 1004 | F | 91 | Very high | 88.7 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144 | 176 | -71.5 | -93.6 | 0 | 0 | 0 | 110.3 | E929 F930 T986 A989 | E929-F1004 WeakPolarHBondContact O-CA 3.23Å; F930-F1004 HydrophobicContact CB-CD1 3.82Å; F930-F1004 HydrophobicContact CB-CE1 3.66Å; F930-F1004 HydrophobicContact CB-CZ 4.22Å; T986-F1004 HydrophobicContact CG2-CB 3.82Å; T986-F1004 PolarHBondContact N-O 3.39Å; T986-F1004 PolarHBondContact O-N 3.15Å; T986-F1004 VanDerWaalsContact O-N 3.16Å; T986-F1004 VanDerWaalsContact O-O 3.08Å; A989-F1004 HydrophobicContact CB-CB 4.36Å; A989-F1004 HydrophobicContact CB-CD1 3.75Å; A989-F1004 HydrophobicContact CB-CD2 4.49Å; A989-F1004 HydrophobicContact CB-CE1 4.1Å; A989-F1004 HydrophobicContact CB-CG 3.95Å |
| 1005 | R | 92.7 | Very high | 88.1 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.9 | 166.7 | 69.9 | 178.5 | -174 | 165.6 | 3.9 | 109.7 | E929 W937 F983 E984 Y985 | E929-R1005 HydrophobicContact CB-CG 3.92Å; E929-R1005 PolarHBondContact N-O 3.36Å; E929-R1005 PolarHBondContact O-N 2.89Å; E929-R1005 VanDerWaalsContact O-O 3.07Å; E929-R1005 IonicContact OE2-CZ 3.65Å; E929-R1005 VanDerWaalsContact OE2-CZ 3.22Å; E929-R1005 IonicContact OE2-NE 3.79Å; E929-R1005 PolarHBondContact OE2-NE 2.8Å; E929-R1005 IonicContact OE2-NH2 3.69Å; E929-R1005 PolarHBondContact OE2-NH2 3.34Å; W937-R1005 HydrophobicContact CD2-CG 3.92Å; W937-R1005 HydrophobicContact CE3-CB 4.46Å; W937-R1005 HydrophobicContact CE3-CG 3.68Å; W937-R1005 HydrophobicContact CH2-CB 3.84Å; W937-R1005 HydrophobicContact CH2-CG 3.94Å; W937-R1005 HydrophobicContact CZ2-CB 4.22Å; W937-R1005 HydrophobicContact CZ2-CG 4.16Å; W937-R1005 HydrophobicContact CZ3-CB 3.97Å; W937-R1005 HydrophobicContact CZ3-CG 3.69Å; F983-R1005 HydrophobicContact CB-CB 4.36Å; F983-R1005 HydrophobicContact CB-CG 4.46Å; F983-R1005 HydrophobicContact CD1-CB 3.97Å; F983-R1005 HydrophobicContact CD1-CG 3.46Å; F983-R1005 VanDerWaalsContact CD1-CG 3.46Å; F983-R1005 HydrophobicContact CE1-CG 3.83Å; F983-R1005 HydrophobicContact CG-CB 4.48Å; F983-R1005 HydrophobicContact CG-CG 4.09Å; E984-R1005 CarbonylContact O-C 3.58Å; E984-R1005 VanDerWaalsContact O-CA 3.22Å; E984-R1005 WeakPolarHBondContact O-CA 3.17Å; Y985-R1005 HydrophobicContact CD1-CB 3.64Å; Y985-R1005 HydrophobicContact CE1-CB 3.78Å; Y985-R1005 VanDerWaalsContact CE1-CD 3.5Å; Y985-R1005 HydrophobicContact CE1-CG 4.27Å; Y985-R1005 HydrophobicContact CG-CB 4.23Å; Y985-R1005 PolarHBondContact OH-NH1 3.32Å; Y985-R1005 VanDerWaalsContact OH-NH1 3.12Å |
| 1006 | R | 93.2 | Very high | 87.3 | Confident | 24 Ų | 24 | 48 Ų | 48 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154 | 174.7 | 69.4 | -177.2 | -173.9 | 176 | 4.1 | 111.3 | F926 Y927 N928 A947 F983 E984 Y994 | F926-R1006 HydrophobicContact CD1-CB 4.47Å; F926-R1006 HydrophobicContact CD1-CG 3.87Å; Y927-R1006 CarbonylContact O-C 3.21Å; Y927-R1006 WeakPolarHBondContact O-CA 3.43Å; N928-R1006 WeakPolarHBondContact OD1-CB 3.47Å; A947-R1006 PolarHBondContact O-NH1 3.27Å; F983-R1006 CarbonylContact C-O 3.59Å; F983-R1006 WeakPolarHBondContact CA-O 3.28Å; E984-R1006 HydrophobicContact CG-CG 3.77Å; E984-R1006 WeakPolarHBondContact CG-O 3.42Å; E984-R1006 PolarHBondContact N-O 2.76Å; E984-R1006 PolarHBondContact O-N 3.03Å; E984-R1006 IonicContact OE1-CZ 2.67Å; E984-R1006 IonicContact OE1-NE 2.62Å; E984-R1006 PolarHBondContact OE1-NE 2.97Å; E984-R1006 IonicContact OE1-NH2 2.71Å; E984-R1006 PolarHBondContact OE1-NH2 3.21Å; Y994-R1006 HydrophobicContact CD1-CG 3.93Å; Y994-R1006 HydrophobicContact CE1-CB 4.34Å; Y994-R1006 HydrophobicContact CE1-CG 3.55Å; Y994-R1006 VanDerWaalsContact CZ-CD 3.47Å |
| 1007 | R | 92.5 | Very high | 86.2 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 23% | 0.226 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.4 | -179.6 | 173.2 | 175.8 | 66.1 | -175.3 | -6.5 | 109.2 | F926 Y927 I972 D981 G982 F983 L1009 | F926-R1007 WeakPolarHBondContact CA-O 3.5Å; Y927-R1007 PolarHBondContact N-O 2.79Å; Y927-R1007 PolarHBondContact O-N 2.62Å; I972-R1007 HydrophobicContact CG1-CG 4.39Å; I972-R1007 HydrophobicContact CG2-CG 3.98Å; D981-R1007 WeakPolarHBondContact O-CD 3.49Å; G982-R1007 WeakPolarHBondContact O-CA 3.32Å; G982-R1007 WeakPolarHBondContact O-CG 3.44Å; F983-R1007 HydrophobicContact CD1-CB 3.79Å; F983-R1007 HydrophobicContact CE1-CB 3.82Å; F983-R1007 HydrophobicContact CG-CB 4.28Å; F983-R1007 HydrophobicContact CZ-CB 4.32Å; R1007-L1009 PolarHBondContact O-N 2.88Å |
| 1008 | R | 93 | Very high | 84.7 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 117.7 | 177.4 | -168.8 | 179 | -175.7 | -123.4 | 1.7 | 109.3 | E924 F926 D973 I1010 | E924-R1008 IonicContact OE2-CZ 2.75Å; E924-R1008 IonicContact OE2-NE 3.38Å; E924-R1008 PolarHBondContact OE2-NE 2.94Å; E924-R1008 IonicContact OE2-NH2 3.28Å; E924-R1008 PolarHBondContact OE2-NH2 2.94Å; F926-R1008 HydrophobicContact CD1-CB 4.06Å; F926-R1008 HydrophobicContact CD1-CG 4.42Å; F926-R1008 HydrophobicContact CE1-CB 3.66Å; F926-R1008 HydrophobicContact CE1-CG 3.85Å; F926-R1008 HydrophobicContact CE2-CG 4.02Å; F926-R1008 HydrophobicContact CZ-CB 4Å; F926-R1008 HydrophobicContact CZ-CG 3.62Å; D973-R1008 HydrophobicContact CB-CB 4.23Å; D973-R1008 HydrophobicContact CB-CG 4.26Å; D973-R1008 PolarHBondContact N-O 2.92Å; D973-R1008 WeakPolarHBondContact OD2-CD 3.49Å; D973-R1008 IonicContact OD2-CZ 3.81Å; D973-R1008 IonicContact OD2-NE 3.72Å; D973-R1008 IonicContact OD2-NH1 3.73Å; D973-R1008 PolarHBondContact OD2-NH1 3.27Å; R1008-I1010 HydrophobicContact CG-CG2 4.17Å |
| 1009 | L | 93.1 | Very high | 83.1 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.7 | 166.3 | -57.4 | 173.8 | 0 | 0 | 0 | 107.9 | E924 L925 Y944 P955 W970 K971 I972 R1007 | E924-L1009 WeakPolarHBondContact CA-O 3.38Å; L925-L1009 HydrophobicContact CB-CB 4.34Å; L925-L1009 HydrophobicContact CD2-CD1 4.47Å; L925-L1009 PolarHBondContact N-O 2.85Å; L925-L1009 PolarHBondContact O-N 2.81Å; L925-L1009 VanDerWaalsContact O-O 3.14Å; Y944-L1009 HydrophobicContact CE1-CD1 4.19Å; P955-L1009 HydrophobicContact CG-CD1 4.06Å; W970-L1009 HydrophobicContact CE3-CB 3.75Å; W970-L1009 HydrophobicContact CZ3-CB 4.24Å; W970-L1009 WeakPolarHBondContact CZ3-O 3.5Å; K971-L1009 CarbonylContact O-C 3.4Å; K971-L1009 VanDerWaalsContact O-CA 3.25Å; K971-L1009 WeakPolarHBondContact O-CA 3.23Å; I972-L1009 HydrophobicContact CG1-CD2 3.94Å; R1007-L1009 PolarHBondContact O-N 2.88Å |
| 1010 | I | 91.2 | Very high | 81.5 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.5 | 176.2 | 55.9 | 172.2 | 0 | 0 | 0 | 110.7 | V922 E923 E924 W970 K971 D973 R1008 | V922-I1010 HydrophobicContact CG1-CB 3.71Å; V922-I1010 HydrophobicContact CG1-CG2 3.87Å; E923-I1010 WeakPolarHBondContact O-CA 3.22Å; E924-I1010 HydrophobicContact CB-CG2 4.43Å; W970-I1010 WeakPolarHBondContact CA-O 3.22Å; W970-I1010 VanDerWaalsContact CE3-C 3.46Å; K971-I1010 PolarHBondContact N-O 3.14Å; K971-I1010 PolarHBondContact O-N 2.72Å; D973-I1010 HydrophobicContact CB-CD1 3.9Å; D973-I1010 HydrophobicContact CB-CG1 4.04Å; D973-I1010 HydrophobicContact CB-CG2 4.07Å; R1008-I1010 HydrophobicContact CG-CG2 4.17Å |
| 1011 | R | 91.5 | Very high | 80 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 132.2 | 171.7 | -174.1 | 171.4 | 62.2 | -179.4 | -5.5 | 109.9 | E923 P955 W966 D968 W970 | E923-R1011 WeakPolarHBondContact CB-O 3.46Å; E923-R1011 PolarHBondContact N-O 2.96Å; E923-R1011 PolarHBondContact O-N 2.84Å; P955-R1011 PolarHBondContact O-NH2 2.83Å; W966-R1011 HydrophobicContact CD2-CG 4.45Å; W966-R1011 VanDerWaalsContact CD2-CZ 3.41Å; W966-R1011 HydrophobicContact CE3-CG 3.78Å; W966-R1011 HydrophobicContact CZ3-CG 4.28Å; D968-R1011 WeakPolarHBondContact O-CD 3.5Å; D968-R1011 WeakPolarHBondContact O-CG 3.43Å; W970-R1011 HydrophobicContact CD2-CB 3.59Å; W970-R1011 HydrophobicContact CE3-CB 3.65Å; W970-R1011 HydrophobicContact CG-CB 4.03Å; W970-R1011 HydrophobicContact CH2-CB 4.36Å; W970-R1011 HydrophobicContact CZ2-CB 4.33Å; W970-R1011 HydrophobicContact CZ3-CB 4.04Å |
| 1012 | S | 88.1 | Confident | 78.6 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 137.4 | -179.5 | -51 | 0 | 0 | 0 | 0 | 110.8 | F921 A967 D968 | F921-S1012 WeakPolarHBondContact O-CA 3.13Å; A967-S1012 PolarHBondContact N-O 2.88Å; D968-S1012 WeakPolarHBondContact OD1-CA 3.46Å; D968-S1012 VanDerWaalsContact OD1-CB 3.31Å; D968-S1012 WeakPolarHBondContact OD1-CB 3.35Å; D968-S1012 PolarHBondContact OD1-N 2.8Å |
| 1013 | R | 87.2 | Confident | 76.9 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149.3 | 163.1 | 52 | 175.3 | 168.4 | 106.1 | -7.8 | 109.9 | D915 S920 F921 E923 L960 W964 T965 W966 | D915-R1013 IonicContact OD2-CZ 2.71Å; D915-R1013 IonicContact OD2-NH1 3.16Å; D915-R1013 PolarHBondContact OD2-NH1 3.43Å; D915-R1013 IonicContact OD2-NH2 3.8Å; D915-R1013 PolarHBondContact OD2-NH2 3.39Å; S920-R1013 WeakPolarHBondContact CA-O 3.33Å; F921-R1013 HydrophobicContact CB-CG 4.12Å; F921-R1013 VanDerWaalsContact CD1-NH2 3.33Å; F921-R1013 PolarHBondContact N-O 2.92Å; F921-R1013 WeakPolarHBondContact O-CG 3.47Å; F921-R1013 PolarHBondContact O-N 2.92Å; E923-R1013 IonicContact OE2-CZ 3.16Å; E923-R1013 IonicContact OE2-NE 2.71Å; E923-R1013 PolarHBondContact OE2-NE 3.02Å; E923-R1013 VanDerWaalsContact OE2-NE 3.13Å; E923-R1013 IonicContact OE2-NH2 3.74Å; E923-R1013 PolarHBondContact OE2-NH2 3Å; E923-R1013 VanDerWaalsContact OE2-NH2 3.11Å; L960-R1013 HydrophobicContact CD2-CB 4.15Å; W964-R1013 HydrophobicContact CD2-CG 4.41Å; W964-R1013 HydrophobicContact CE3-CB 3.79Å; W964-R1013 HydrophobicContact CE3-CG 3.58Å; W964-R1013 HydrophobicContact CZ3-CB 4.4Å; W964-R1013 HydrophobicContact CZ3-CG 3.9Å; W964-R1013 WeakPolarHBondContact CZ3-O 3.48Å; T965-R1013 CarbonylContact O-C 3.59Å; T965-R1013 VanDerWaalsContact O-CA 3.22Å; T965-R1013 WeakPolarHBondContact O-CA 3.34Å; T965-R1013 WeakPolarHBondContact O-CB 3.07Å; W966-R1013 HydrophobicContact CE3-CB 3.72Å; W966-R1013 HydrophobicContact CE3-CG 4.49Å; W966-R1013 HydrophobicContact CZ3-CB 3.77Å; W966-R1013 HydrophobicContact CZ3-CG 4.04Å |
| 1014 | I | 80.3 | Confident | 75 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.3 | 175.4 | 52.1 | 175.2 | 0 | 0 | 0 | 109.4 | W964 T965 A967 V1018 | W964-I1014 CarbonylContact C-O 3.53Å; W964-I1014 WeakPolarHBondContact CA-O 3.21Å; T965-I1014 PolarHBondContact N-O 2.97Å; T965-I1014 PolarHBondContact O-N 3.1Å; A967-I1014 HydrophobicContact CB-CD1 4.16Å; A967-I1014 HydrophobicContact CB-CG1 4.06Å; A967-I1014 HydrophobicContact CB-CG2 4.12Å; I1014-V1018 HydrophobicContact CD1-CB 4.32Å; I1014-V1018 HydrophobicContact CD1-CG1 4.35Å; I1014-V1018 HydrophobicContact CD1-CG2 4.22Å |
| 1015 | L | 74.1 | Confident | 73 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.3 | 177.7 | -166.3 | 73.3 | 0 | 0 | 0 | 110.9 | T919 G963 W964 V1022 L1027 V1030 | T919-L1015 WeakPolarHBondContact O-CB 3.47Å; T919-L1015 PolarHBondContact O-N 2.79Å; G963-L1015 WeakPolarHBondContact O-CD1 3.46Å; W964-L1015 HydrophobicContact CD2-CB 4.46Å; W964-L1015 HydrophobicContact CD2-CD1 3.91Å; W964-L1015 HydrophobicContact CG-CD1 3.92Å; W964-L1015 HydrophobicContact CZ2-CD1 4.23Å; L1015-V1022 HydrophobicContact CB-CG1 4.23Å; L1015-V1022 HydrophobicContact CD2-CG1 4.15Å; L1015-V1022 HydrophobicContact CG-CG1 4.37Å; L1015-V1022 WeakPolarHBondContact O-CG2 3.31Å; L1015-L1027 HydrophobicContact CD2-CB 4.43Å; L1015-L1027 HydrophobicContact CD2-CD1 3.62Å; L1015-V1030 HydrophobicContact CD1-CB 4.16Å; L1015-V1030 HydrophobicContact CD1-CG1 3.68Å; L1015-V1030 HydrophobicContact CD1-CG2 3.87Å; L1015-V1030 HydrophobicContact CD2-CB 3.74Å; L1015-V1030 HydrophobicContact CD2-CG1 3.87Å; L1015-V1030 HydrophobicContact CD2-CG2 3.93Å; L1015-V1030 HydrophobicContact CG-CB 4.44Å; L1015-V1030 HydrophobicContact CG-CG1 4.38Å; L1015-V1030 HydrophobicContact CG-CG2 4.18Å |
| 1016 | G | 69.8 | Low | 71.1 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 78.6 | -161.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G963 T965 | G963-G1016 PolarHBondContact O-N 2.89Å; T965-G1016 WeakPolarHBondContact CB-O 2.98Å; T965-G1016 WeakPolarHBondContact CG2-O 3.22Å; T965-G1016 PolarHBondContact OG1-O 2.97Å |
| 1017 | D | 65.7 | Low | 69.2 | Low | 110 Ų | 110 | 56.4 Ų | 56.4 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -86.2 | 144.1 | -172.9 | -67.3 | -46.7 | 0 | 0 | 0 | 113.7 | G1019 V1020 | D1017-G1019 PolarHBondContact O-N 2.86Å; D1017-V1020 HydrophobicContact CB-CB 4.12Å; D1017-V1020 HydrophobicContact CB-CG2 3.81Å; D1017-V1020 PolarHBondContact O-N 2.81Å; D1017-V1020 VanDerWaalsContact O-N 3.07Å |
| 1018 | V | 57 | Low | 67.1 | Low | 85 Ų | 85 | 56.3 Ų | 56.3 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 125.8 | 178.9 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | T965 W966 I1014 V1020 | T965-V1018 WeakPolarHBondContact OG1-CG2 3.25Å; W966-V1018 VanDerWaalsContact O-CG2 3.23Å; W966-V1018 WeakPolarHBondContact O-CG2 3.22Å; I1014-V1018 HydrophobicContact CD1-CB 4.32Å; I1014-V1018 HydrophobicContact CD1-CG1 4.35Å; I1014-V1018 HydrophobicContact CD1-CG2 4.22Å; V1018-V1020 PolarHBondContact O-N 2.57Å |
| 1019 | G | 53 | Low | 65.2 | Low | 76 Ų | 76 | 59.5 Ų | 59.5 | 78% | 0.784 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -3.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1017 | D1017-G1019 PolarHBondContact O-N 2.86Š|
| 1020 | V | 54.9 | Low | 63.4 | Low | 74 Ų | 74 | 60.2 Ų | 60.2 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -95.8 | 122.9 | 169.2 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | D1017 V1018 V1022 | D1017-V1020 HydrophobicContact CB-CB 4.12Å; D1017-V1020 HydrophobicContact CB-CG2 3.81Å; D1017-V1020 PolarHBondContact O-N 2.81Å; D1017-V1020 VanDerWaalsContact O-N 3.07Å; V1018-V1020 PolarHBondContact O-N 2.57Å; V1020-V1022 PolarHBondContact O-N 3.49Å |
| 1021 | P | 51.1 | Low | 61.5 | Low | 107 Ų | 107 | 60.5 Ų | 60.5 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | trans | -54.9 | 129.7 | 172.1 | -23 | 32.7 | 0 | 0 | 0 | 109.1 | K1023 | P1021-K1023 PolarHBondContact O-N 2.89Š| ||
| 1022 | V | 53.8 | Low | 59.6 | Low | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | trans | -57.3 | 105.7 | 175.9 | -160.7 | 0 | 0 | 0 | 0 | 106.5 | L1015 V1020 Q1024 V1026 L1027 | L1015-V1022 HydrophobicContact CB-CG1 4.23Å; L1015-V1022 HydrophobicContact CD2-CG1 4.15Å; L1015-V1022 HydrophobicContact CG-CG1 4.37Å; L1015-V1022 WeakPolarHBondContact O-CG2 3.31Å; V1020-V1022 PolarHBondContact O-N 3.49Å; V1022-Q1024 PolarHBondContact O-N 2.81Å; V1022-V1026 HydrophobicContact CG1-CB 4.36Å; V1022-V1026 HydrophobicContact CG1-CG1 4.34Å; V1022-L1027 HydrophobicContact CG1-CB 4.08Å | ||
| 1023 | K | 52.8 | Low | 57.9 | Low | 145 Ų | 145 | 65.1 Ų | 65.1 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | trans | -56.3 | 131.8 | 174.9 | -67.6 | 178.1 | -178.6 | 172.6 | 0 | 105.5 | P1021 E1025 V1026 L1027 | P1021-K1023 PolarHBondContact O-N 2.89Å; K1023-E1025 HydrophobicContact CB-CB 4.41Å; K1023-E1025 CarbonylContact O-C 3.55Å; K1023-E1025 PolarHBondContact O-N 3.34Å; K1023-V1026 HydrophobicContact CB-CG2 4.18Å; K1023-V1026 WeakPolarHBondContact O-CA 3.29Å; K1023-V1026 PolarHBondContact O-N 3.12Å; K1023-L1027 PolarHBondContact O-N 2.68Å | ||
| 1024 | Q | 49.7 | Very low | 56.3 | Low | 84 Ų | 84 | 68.2 Ų | 68.2 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -49.8 | -32.2 | 175.7 | -77.6 | -178.7 | -20.8 | 0 | 0 | 110.9 | V1022 L1027 R1028 | V1022-Q1024 PolarHBondContact O-N 2.81Å; Q1024-L1027 PolarHBondContact O-N 3.19Å; Q1024-R1028 WeakPolarHBondContact O-CB 3.48Å; Q1024-R1028 WeakPolarHBondContact O-CG 3.13Å; Q1024-R1028 PolarHBondContact O-N 3.41Å |
| 1025 | E | 47.6 | Very low | 54.8 | Low | 91 Ų | 91 | 71 Ų | 71 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 171.6 | -163.1 | 58.1 | -157.8 | 0 | 0 | 115.2 | K1023 R1028 Q1029 | K1023-E1025 HydrophobicContact CB-CB 4.41Å; K1023-E1025 CarbonylContact O-C 3.55Å; K1023-E1025 PolarHBondContact O-N 3.34Å; E1025-R1028 IonicContact OE2-NH1 2.72Å; E1025-R1028 PolarHBondContact OE2-NH1 3.3Å; E1025-Q1029 WeakPolarHBondContact O-CB 3.45Å; E1025-Q1029 VanDerWaalsContact O-CG 3.22Å; E1025-Q1029 WeakPolarHBondContact O-CG 3.47Å; E1025-Q1029 PolarHBondContact O-N 2.58Å; E1025-Q1029 PolarHBondContact OE1-NE2 2.75Å |
| 1026 | V | 53.9 | Low | 53.6 | Low | 50 Ų | 50 | 77.4 Ų | 77.4 | 30% | 0.303 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.6 | -40.6 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | V1022 K1023 Q1029 V1030 | V1022-V1026 HydrophobicContact CG1-CB 4.36Å; V1022-V1026 HydrophobicContact CG1-CG1 4.34Å; K1023-V1026 HydrophobicContact CB-CG2 4.18Å; K1023-V1026 WeakPolarHBondContact O-CA 3.29Å; K1023-V1026 PolarHBondContact O-N 3.12Å; V1026-Q1029 PolarHBondContact O-N 2.78Å; V1026-V1030 WeakPolarHBondContact O-CB 3.15Å; V1026-V1030 VanDerWaalsContact O-CG2 3.29Å; V1026-V1030 WeakPolarHBondContact O-CG2 3.35Å; V1026-V1030 PolarHBondContact O-N 2.9Å |
| 1027 | L | 52.8 | Low | 52.6 | Low | 29 Ų | 29 | 78.6 Ų | 78.6 | 15% | 0.152 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 174.1 | 179.5 | 59.7 | 0 | 0 | 0 | 111.4 | T919 L1015 V1022 K1023 Q1024 V1030 I1031 | T919-L1027 HydrophobicContact CG2-CD1 3.52Å; T919-L1027 HydrophobicContact CG2-CD2 3.43Å; T919-L1027 VanDerWaalsContact CG2-CD2 3.43Å; T919-L1027 HydrophobicContact CG2-CG 4.06Å; L1015-L1027 HydrophobicContact CD2-CB 4.43Å; L1015-L1027 HydrophobicContact CD2-CD1 3.62Å; V1022-L1027 HydrophobicContact CG1-CB 4.08Å; K1023-L1027 PolarHBondContact O-N 2.68Å; Q1024-L1027 PolarHBondContact O-N 3.19Å; L1027-V1030 CarbonylContact O-C 3.3Å; L1027-V1030 PolarHBondContact O-N 3.15Å; L1027-I1031 HydrophobicContact CD1-CD1 3.75Å; L1027-I1031 HydrophobicContact CD1-CG1 4.02Å; L1027-I1031 HydrophobicContact CD2-CD1 4.4Å; L1027-I1031 HydrophobicContact CG-CD1 3.74Å; L1027-I1031 HydrophobicContact CG-CG1 4.36Å; L1027-I1031 WeakPolarHBondContact O-CB 3.29Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.12Å; L1027-I1031 PolarHBondContact O-N 3.49Å |
| 1028 | R | 49.7 | Very low | 51.9 | Low | 59 Ų | 59 | 76 Ų | 76 | 22% | 0.223 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 173.6 | -73.4 | 166.5 | -168.1 | 178.5 | -10 | 111.3 | Q1024 E1025 V1030 I1031 A1032 I1184 E1186 | Q1024-R1028 WeakPolarHBondContact O-CB 3.48Å; Q1024-R1028 WeakPolarHBondContact O-CG 3.13Å; Q1024-R1028 PolarHBondContact O-N 3.41Å; E1025-R1028 IonicContact OE2-NH1 2.72Å; E1025-R1028 PolarHBondContact OE2-NH1 3.3Å; R1028-V1030 PolarHBondContact O-N 2.79Å; R1028-I1031 PolarHBondContact O-N 2.99Å; R1028-A1032 WeakPolarHBondContact O-CA 3.41Å; R1028-A1032 WeakPolarHBondContact O-CB 3.27Å; R1028-A1032 PolarHBondContact O-N 3.17Å; R1028-I1184 PolarHBondContact NH2-O 3.29Å; R1028-E1186 IonicContact CZ-OE1 3.87Å; R1028-E1186 VanDerWaalsContact CZ-OE1 3.29Å; R1028-E1186 IonicContact CZ-OE2 2.8Å; R1028-E1186 IonicContact NH1-OE1 3.84Å; R1028-E1186 PolarHBondContact NH1-OE1 3.03Å; R1028-E1186 IonicContact NH1-OE2 3.82Å; R1028-E1186 PolarHBondContact NH1-OE2 3.1Å; R1028-E1186 IonicContact NH2-OE1 3.75Å; R1028-E1186 PolarHBondContact NH2-OE1 2.72Å; R1028-E1186 IonicContact NH2-OE2 3.71Å |
| 1029 | Q | 53.2 | Low | 51.4 | Low | 116 Ų | 116 | 77.1 Ų | 77.1 | 54% | 0.542 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.1 | -34.6 | 178 | -77.7 | 174.2 | 17.2 | 0 | 0 | 111.6 | E1025 V1026 H1033 | E1025-Q1029 WeakPolarHBondContact O-CB 3.45Å; E1025-Q1029 VanDerWaalsContact O-CG 3.22Å; E1025-Q1029 WeakPolarHBondContact O-CG 3.47Å; E1025-Q1029 PolarHBondContact O-N 2.58Å; E1025-Q1029 PolarHBondContact OE1-NE2 2.75Å; V1026-Q1029 PolarHBondContact O-N 2.78Å; Q1029-H1033 WeakPolarHBondContact O-CA 3.07Å; Q1029-H1033 WeakPolarHBondContact O-CB 3.47Å; Q1029-H1033 PolarHBondContact O-N 3.26Å |
| 1030 | V | 53.7 | Low | 51.1 | Low | 33 Ų | 33 | 76.3 Ų | 76.3 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -79.7 | -38.6 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 112.7 | L1015 V1026 L1027 R1028 H1033 D1034 | L1015-V1030 HydrophobicContact CD1-CB 4.16Å; L1015-V1030 HydrophobicContact CD1-CG1 3.68Å; L1015-V1030 HydrophobicContact CD1-CG2 3.87Å; L1015-V1030 HydrophobicContact CD2-CB 3.74Å; L1015-V1030 HydrophobicContact CD2-CG1 3.87Å; L1015-V1030 HydrophobicContact CD2-CG2 3.93Å; L1015-V1030 HydrophobicContact CG-CB 4.44Å; L1015-V1030 HydrophobicContact CG-CG1 4.38Å; L1015-V1030 HydrophobicContact CG-CG2 4.18Å; V1026-V1030 WeakPolarHBondContact O-CB 3.15Å; V1026-V1030 VanDerWaalsContact O-CG2 3.29Å; V1026-V1030 WeakPolarHBondContact O-CG2 3.35Å; V1026-V1030 PolarHBondContact O-N 2.9Å; L1027-V1030 CarbonylContact O-C 3.3Å; L1027-V1030 PolarHBondContact O-N 3.15Å; R1028-V1030 PolarHBondContact O-N 2.79Å; V1030-H1033 CarbonylContact O-C 3.55Å; V1030-H1033 PolarHBondContact O-N 2.81Å; V1030-D1034 WeakPolarHBondContact O-CB 3.47Å; V1030-D1034 PolarHBondContact O-N 3.13Å |
| 1031 | I | 51.7 | Low | 50.7 | Low | 45 Ų | 45 | 77.3 Ų | 77.3 | 23% | 0.231 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 174.4 | -70.4 | 172.2 | 0 | 0 | 0 | 109.5 | L1027 R1028 H1033 D1034 Q1035 | L1027-I1031 HydrophobicContact CD1-CD1 3.75Å; L1027-I1031 HydrophobicContact CD1-CG1 4.02Å; L1027-I1031 HydrophobicContact CD2-CD1 4.4Å; L1027-I1031 HydrophobicContact CG-CD1 3.74Å; L1027-I1031 HydrophobicContact CG-CG1 4.36Å; L1027-I1031 WeakPolarHBondContact O-CB 3.29Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.12Å; L1027-I1031 PolarHBondContact O-N 3.49Å; R1028-I1031 PolarHBondContact O-N 2.99Å; I1031-H1033 VanDerWaalsContact C-N 3.33Å; I1031-H1033 PolarHBondContact O-N 3.39Å; I1031-D1034 PolarHBondContact O-N 3.41Å; I1031-Q1035 WeakPolarHBondContact O-CB 3.49Å; I1031-Q1035 WeakPolarHBondContact O-CG 3.32Å; I1031-Q1035 PolarHBondContact O-N 3.23Å |
| 1032 | A | 52.2 | Low | 50.3 | Low | 47 Ų | 47 | 76.3 Ų | 76.3 | 39% | 0.388 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1028 Q1036 | R1028-A1032 WeakPolarHBondContact O-CA 3.41Å; R1028-A1032 WeakPolarHBondContact O-CB 3.27Å; R1028-A1032 PolarHBondContact O-N 3.17Å; A1032-Q1036 WeakPolarHBondContact O-CA 3.46Å; A1032-Q1036 WeakPolarHBondContact O-CB 3.31Å; A1032-Q1036 PolarHBondContact O-N 3.14Å |
| 1033 | H | 52.9 | Low | 49.8 | Very low | 103 Ų | 103 | 80.5 Ų | 80.5 | 48% | 0.477 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73.2 | -29.9 | 173.8 | -176.6 | 72.2 | 0 | 0 | 0 | 113 | Q1029 V1030 I1031 S1037 | Q1029-H1033 WeakPolarHBondContact O-CA 3.07Å; Q1029-H1033 WeakPolarHBondContact O-CB 3.47Å; Q1029-H1033 PolarHBondContact O-N 3.26Å; V1030-H1033 CarbonylContact O-C 3.55Å; V1030-H1033 PolarHBondContact O-N 2.81Å; I1031-H1033 VanDerWaalsContact C-N 3.33Å; I1031-H1033 PolarHBondContact O-N 3.39Å; H1033-S1037 PolarHBondContact CE1-OG 3.12Å; H1033-S1037 PolarHBondContact ND1-OG 3.39Å; H1033-S1037 PolarHBondContact NE2-OG 2.89Å; H1033-S1037 WeakPolarHBondContact O-CA 3.32Å; H1033-S1037 WeakPolarHBondContact O-CB 3.37Å; H1033-S1037 PolarHBondContact O-N 3Å; H1033-S1037 PolarHBondContact O-OG 3.11Å |
| 1034 | D | 51.7 | Low | 49.5 | Very low | 72 Ų | 72 | 76.5 Ų | 76.5 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.8 | -45.9 | 173 | -173.5 | 64.9 | 0 | 0 | 0 | 109.9 | V1030 I1031 Q1036 R1038 | V1030-D1034 WeakPolarHBondContact O-CB 3.47Å; V1030-D1034 PolarHBondContact O-N 3.13Å; I1031-D1034 PolarHBondContact O-N 3.41Å; D1034-Q1036 PolarHBondContact O-N 2.94Å; D1034-R1038 WeakPolarHBondContact O-CA 3.32Å; D1034-R1038 WeakPolarHBondContact O-CB 3.41Å; D1034-R1038 WeakPolarHBondContact O-CG 3.14Å; D1034-R1038 PolarHBondContact O-N 2.95Å; D1034-R1038 VanDerWaalsContact OD2-CD 3.31Å; D1034-R1038 WeakPolarHBondContact OD2-CD 3.12Å |
| 1035 | Q | 49.3 | Very low | 49.1 | Very low | 99 Ų | 99 | 76.8 Ų | 76.8 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.6 | -48 | 170.4 | -77.8 | -176.3 | -48.9 | 0 | 0 | 111.5 | I1031 R1038 L1039 | I1031-Q1035 WeakPolarHBondContact O-CB 3.49Å; I1031-Q1035 WeakPolarHBondContact O-CG 3.32Å; I1031-Q1035 PolarHBondContact O-N 3.23Å; Q1035-R1038 CarbonylContact O-C 3.54Å; Q1035-R1038 PolarHBondContact O-N 3.42Å; Q1035-L1039 WeakPolarHBondContact O-CB 3.47Å; Q1035-L1039 VanDerWaalsContact O-CG 3.26Å; Q1035-L1039 WeakPolarHBondContact O-CG 3.43Å; Q1035-L1039 PolarHBondContact O-N 2.85Å |
| 1036 | Q | 49.7 | Very low | 48.8 | Very low | 135 Ų | 135 | 75.6 Ų | 75.6 | 63% | 0.631 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -76 | -34.8 | -177.5 | -167.5 | 173.8 | 29.8 | 0 | 0 | 112.3 | A1032 D1034 R1038 L1039 S1040 | A1032-Q1036 WeakPolarHBondContact O-CA 3.46Å; A1032-Q1036 WeakPolarHBondContact O-CB 3.31Å; A1032-Q1036 PolarHBondContact O-N 3.14Å; D1034-Q1036 PolarHBondContact O-N 2.94Å; Q1036-R1038 VanDerWaalsContact C-N 3.3Å; Q1036-L1039 PolarHBondContact O-N 3.11Å; Q1036-S1040 WeakPolarHBondContact O-CB 3.35Å; Q1036-S1040 PolarHBondContact O-N 3.23Å; Q1036-S1040 PolarHBondContact O-OG 2.79Å |
| 1037 | S | 48.8 | Very low | 48.5 | Very low | 42 Ų | 42 | 78.8 Ų | 78.8 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.9 | -26.1 | 170.8 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | H1033 S1040 L1041 | H1033-S1037 PolarHBondContact CE1-OG 3.12Å; H1033-S1037 PolarHBondContact ND1-OG 3.39Å; H1033-S1037 PolarHBondContact NE2-OG 2.89Å; H1033-S1037 WeakPolarHBondContact O-CA 3.32Å; H1033-S1037 WeakPolarHBondContact O-CB 3.37Å; H1033-S1037 PolarHBondContact O-N 3Å; H1033-S1037 PolarHBondContact O-OG 3.11Å; S1037-S1040 WeakPolarHBondContact CA-OG 3.43Å; S1037-S1040 PolarHBondContact O-OG 3.42Å; S1037-S1040 VanDerWaalsContact O-OG 3.12Å; S1037-L1041 WeakPolarHBondContact O-CA 3.49Å; S1037-L1041 WeakPolarHBondContact O-CB 3.39Å; S1037-L1041 PolarHBondContact O-N 3.03Å |
| 1038 | R | 49.9 | Very low | 48.2 | Very low | 56 Ų | 56 | 85 Ų | 85 | 21% | 0.211 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -79.9 | -34.4 | 170.3 | -73.7 | 174.2 | 67.1 | 103.3 | 2.3 | 112 | L911 Y912 D1034 Q1035 Q1036 S1040 L1041 L1042 | L911-R1038 PolarHBondContact O-NH1 3.29Å; Y912-R1038 VanDerWaalsContact CE1-NH2 3.32Å; D1034-R1038 WeakPolarHBondContact O-CA 3.32Å; D1034-R1038 WeakPolarHBondContact O-CB 3.41Å; D1034-R1038 WeakPolarHBondContact O-CG 3.14Å; D1034-R1038 PolarHBondContact O-N 2.95Å; D1034-R1038 VanDerWaalsContact OD2-CD 3.31Å; D1034-R1038 WeakPolarHBondContact OD2-CD 3.12Å; Q1035-R1038 CarbonylContact O-C 3.54Å; Q1035-R1038 PolarHBondContact O-N 3.42Å; Q1036-R1038 VanDerWaalsContact C-N 3.3Å; R1038-S1040 VanDerWaalsContact C-N 3.34Å; R1038-L1041 CarbonylContact O-C 3.44Å; R1038-L1041 WeakPolarHBondContact O-CB 3.2Å; R1038-L1041 PolarHBondContact O-N 2.85Å; R1038-L1042 VanDerWaalsContact O-CB 3.31Å; R1038-L1042 WeakPolarHBondContact O-CB 3.16Å; R1038-L1042 WeakPolarHBondContact O-CD1 3.45Å; R1038-L1042 PolarHBondContact O-N 2.85Å |
| 1039 | L | 46.8 | Very low | 48.1 | Very low | 109 Ų | 109 | 85.5 Ų | 85.5 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.9 | -38 | 168.5 | -77.6 | 165.2 | 0 | 0 | 0 | 110.4 | Q1035 Q1036 L1042 Q1043 | Q1035-L1039 WeakPolarHBondContact O-CB 3.47Å; Q1035-L1039 VanDerWaalsContact O-CG 3.26Å; Q1035-L1039 WeakPolarHBondContact O-CG 3.43Å; Q1035-L1039 PolarHBondContact O-N 2.85Å; Q1036-L1039 PolarHBondContact O-N 3.11Å; L1039-L1042 HydrophobicContact CD2-CD1 4.45Å; L1039-L1042 WeakPolarHBondContact O-CB 3.42Å; L1039-L1042 PolarHBondContact O-N 2.99Å; L1039-Q1043 VanDerWaalsContact O-CB 3.27Å; L1039-Q1043 WeakPolarHBondContact O-CB 3.48Å; L1039-Q1043 PolarHBondContact O-N 3.48Å |
| 1040 | S | 48.2 | Very low | 48 | Very low | 59 Ų | 59 | 83.3 Ų | 83.3 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.5 | -24.3 | 171.5 | 80.2 | 0 | 0 | 0 | 0 | 112.5 | Q1036 S1037 R1038 Q1043 S1044 | Q1036-S1040 WeakPolarHBondContact O-CB 3.35Å; Q1036-S1040 PolarHBondContact O-N 3.23Å; Q1036-S1040 PolarHBondContact O-OG 2.79Å; S1037-S1040 WeakPolarHBondContact CA-OG 3.43Å; S1037-S1040 PolarHBondContact O-OG 3.42Å; S1037-S1040 VanDerWaalsContact O-OG 3.12Å; R1038-S1040 VanDerWaalsContact C-N 3.34Å; S1040-Q1043 PolarHBondContact O-N 3.37Å; S1040-S1044 WeakPolarHBondContact O-CB 3.23Å; S1040-S1044 PolarHBondContact O-N 3.04Å; S1040-S1044 PolarHBondContact O-OG 3.04Å |
| 1041 | L | 46.1 | Very low | 48.6 | Very low | 95 Ų | 95 | 86.9 Ų | 86.9 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.1 | -43 | 167.2 | -163.6 | 78.8 | 0 | 0 | 0 | 109.6 | S1037 R1038 Q1043 S1044 L1045 | S1037-L1041 WeakPolarHBondContact O-CA 3.49Å; S1037-L1041 WeakPolarHBondContact O-CB 3.39Å; S1037-L1041 PolarHBondContact O-N 3.03Å; R1038-L1041 CarbonylContact O-C 3.44Å; R1038-L1041 WeakPolarHBondContact O-CB 3.2Å; R1038-L1041 PolarHBondContact O-N 2.85Å; L1041-Q1043 VanDerWaalsContact C-N 3.33Å; L1041-Q1043 PolarHBondContact O-N 3.02Å; L1041-S1044 WeakPolarHBondContact CA-OG 3.31Å; L1041-S1044 PolarHBondContact O-N 2.91Å; L1041-S1044 PolarHBondContact O-OG 2.89Å; L1041-L1045 HydrophobicContact CD2-CD1 4.32Å; L1041-L1045 HydrophobicContact CG-CD1 3.99Å; L1041-L1045 HydrophobicContact CG-CG 4.42Å; L1041-L1045 WeakPolarHBondContact O-CB 3.35Å; L1041-L1045 WeakPolarHBondContact O-CD1 3.29Å; L1041-L1045 WeakPolarHBondContact O-CG 3.1Å; L1041-L1045 PolarHBondContact O-N 2.9Å |
| 1042 | L | 43 | Very low | 49.8 | Very low | 85 Ų | 85 | 86.4 Ų | 86.4 | 45% | 0.445 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -53.1 | -49.9 | 168.3 | -108.2 | 132.7 | 0 | 0 | 0 | 110.8 | L908 R1038 L1039 S1046 | L908-L1042 HydrophobicContact CD1-CD1 3.58Å; L908-L1042 HydrophobicContact CD1-CD2 3.47Å; L908-L1042 VanDerWaalsContact CD1-CD2 3.47Å; L908-L1042 HydrophobicContact CD1-CG 3.36Å; R1038-L1042 VanDerWaalsContact O-CB 3.31Å; R1038-L1042 WeakPolarHBondContact O-CB 3.16Å; R1038-L1042 WeakPolarHBondContact O-CD1 3.45Å; R1038-L1042 PolarHBondContact O-N 2.85Å; L1039-L1042 HydrophobicContact CD2-CD1 4.45Å; L1039-L1042 WeakPolarHBondContact O-CB 3.42Å; L1039-L1042 PolarHBondContact O-N 2.99Å; L1042-S1046 WeakPolarHBondContact O-CB 3.23Å; L1042-S1046 PolarHBondContact O-N 3.32Å |
| 1043 | Q | 43.2 | Very low | 51.5 | Low | 137 Ų | 137 | 84.8 Ų | 84.8 | 64% | 0.64 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -76.8 | -25.8 | -176.3 | -160.9 | 172.6 | 15.5 | 0 | 0 | 113.4 | L1039 S1040 L1041 S1046 | L1039-Q1043 VanDerWaalsContact O-CB 3.27Å; L1039-Q1043 WeakPolarHBondContact O-CB 3.48Å; L1039-Q1043 PolarHBondContact O-N 3.48Å; S1040-Q1043 PolarHBondContact O-N 3.37Å; L1041-Q1043 VanDerWaalsContact C-N 3.33Å; L1041-Q1043 PolarHBondContact O-N 3.02Å; Q1043-S1046 WeakPolarHBondContact CA-OG 3.13Å; Q1043-S1046 PolarHBondContact O-OG 3.22Å |
| 1044 | S | 45.4 | Very low | 53.1 | Low | 60 Ų | 60 | 80.1 Ų | 80.1 | 42% | 0.42 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -82.7 | -38.2 | 172.6 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | S1040 L1041 S1046 T1047 | S1040-S1044 WeakPolarHBondContact O-CB 3.23Å; S1040-S1044 PolarHBondContact O-N 3.04Å; S1040-S1044 PolarHBondContact O-OG 3.04Å; L1041-S1044 WeakPolarHBondContact CA-OG 3.31Å; L1041-S1044 PolarHBondContact O-N 2.91Å; L1041-S1044 PolarHBondContact O-OG 2.89Å; S1044-S1046 PolarHBondContact O-N 3.19Å; S1044-T1047 WeakPolarHBondContact O-CB 3.21Å; S1044-T1047 PolarHBondContact O-N 3.42Å; S1044-T1047 PolarHBondContact O-OG1 2.84Å |
| 1045 | L | 41.6 | Very low | 54.7 | Low | 90 Ų | 90 | 77.8 Ų | 77.8 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -28.1 | 164.7 | -68.8 | 168.5 | 0 | 0 | 0 | 111.2 | L1041 T1047 E1048 | L1041-L1045 HydrophobicContact CD2-CD1 4.32Å; L1041-L1045 HydrophobicContact CG-CD1 3.99Å; L1041-L1045 HydrophobicContact CG-CG 4.42Å; L1041-L1045 WeakPolarHBondContact O-CB 3.35Å; L1041-L1045 WeakPolarHBondContact O-CD1 3.29Å; L1041-L1045 WeakPolarHBondContact O-CG 3.1Å; L1041-L1045 PolarHBondContact O-N 2.9Å; L1045-T1047 PolarHBondContact O-N 3.44Å; L1045-E1048 CarbonylContact O-C 3.44Å; L1045-E1048 VanDerWaalsContact O-C 3.25Å; L1045-E1048 PolarHBondContact O-N 2.89Å |
| 1046 | S | 42.3 | Very low | 56.4 | Low | 67 Ų | 67 | 73.1 Ų | 73.1 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 5 | 170.5 | 87.7 | 0 | 0 | 0 | 0 | 114.8 | L1042 Q1043 S1044 P1049 | L1042-S1046 WeakPolarHBondContact O-CB 3.23Å; L1042-S1046 PolarHBondContact O-N 3.32Å; Q1043-S1046 WeakPolarHBondContact CA-OG 3.13Å; Q1043-S1046 PolarHBondContact O-OG 3.22Å; S1044-S1046 PolarHBondContact O-N 3.19Å; S1046-P1049 WeakPolarHBondContact O-CD 3.43Å |
| 1047 | T | 45.9 | Very low | 57.7 | Low | 116 Ų | 116 | 71.6 Ų | 71.6 | 71% | 0.712 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -23.2 | 166.6 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | S1044 L1045 | S1044-T1047 WeakPolarHBondContact O-CB 3.21Å; S1044-T1047 PolarHBondContact O-N 3.42Å; S1044-T1047 PolarHBondContact O-OG1 2.84Å; L1045-T1047 PolarHBondContact O-N 3.44Å |
| 1048 | E | 47.2 | Very low | 59.3 | Low | 160 Ų | 160 | 72.4 Ų | 72.4 | 75% | 0.748 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -125.4 | 60.4 | 161.6 | -68.6 | -168 | 171.4 | 0 | 0 | 111.5 | L1045 A1050 | L1045-E1048 CarbonylContact O-C 3.44Å; L1045-E1048 VanDerWaalsContact O-C 3.25Å; L1045-E1048 PolarHBondContact O-N 2.89Å; E1048-A1050 PolarHBondContact O-N 2.88Å |
| 1049 | P | 47.2 | Very low | 60.8 | Low | 70 Ų | 70 | 70.5 Ų | 70.5 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -7.2 | -176.2 | 29.1 | -32.3 | 0 | 0 | 0 | 112.9 | V904 S1046 E1051 | V904-P1049 WeakPolarHBondContact CB-O 3.08Å; S1046-P1049 WeakPolarHBondContact O-CD 3.43Å; P1049-E1051 VanDerWaalsContact C-N 3.31Å; P1049-E1051 PolarHBondContact O-N 2.96Å |
| 1050 | A | 51.8 | Low | 62.2 | Low | 69 Ų | 69 | 70.3 Ų | 70.3 | 57% | 0.57 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -20.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1048 R1076 | E1048-A1050 PolarHBondContact O-N 2.88Å; A1050-R1076 PolarHBondContact O-NH1 3.39Å |
| 1051 | E | 66.9 | Low | 63.4 | Low | 109 Ų | 109 | 69.5 Ų | 69.5 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -65.2 | -177.1 | -67.5 | -134.9 | -179.4 | 0 | 0 | 113.6 | P1049 W1053 R1076 | P1049-E1051 VanDerWaalsContact C-N 3.31Å; P1049-E1051 PolarHBondContact O-N 2.96Å; E1051-W1053 VanDerWaalsContact C-N 3.26Å; E1051-W1053 PolarHBondContact O-N 3.22Å; E1051-W1053 VanDerWaalsContact O-N 3.12Å; E1051-W1053 VanDerWaalsContact OE2-CD1 3.23Å; E1051-W1053 PolarHBondContact OE2-NE1 2.93Å; E1051-W1053 VanDerWaalsContact OE2-NE1 3.15Å; E1051-R1076 WeakPolarHBondContact O-CD 3.26Å |
| 1052 | A | 76.2 | Confident | 64.7 | Low | 34 Ų | 34 | 71.3 Ų | 71.3 | 28% | 0.281 | 39% | 0.389 | S | S | . | . | trans | 38.1 | 48.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V904 P906 | V904-A1052 HydrophobicContact CG1-CB 3.59Å; P906-A1052 HydrophobicContact CB-CB 4.23Å; P906-A1052 HydrophobicContact CG-CB 4.3Å | ||
| 1053 | W | 87.8 | Confident | 66.4 | Low | 13 Ų | 13 | 68.3 Ų | 68.3 | 5% | 0.049 | 37% | 0.372 | C | S | . | . | trans | -69.3 | 136.3 | 175.8 | -69 | 104.8 | 0 | 0 | 0 | 112.5 | E855 Q857 E1051 Y1055 R1074 R1076 | E855-W1053 HydrophobicContact CB-CH2 4.24Å; E855-W1053 HydrophobicContact CB-CZ3 4.49Å; E855-W1053 HydrophobicContact CG-CH2 3.93Å; E855-W1053 WeakPolarHBondContact OE1-CH2 3.44Å; Q857-W1053 HydrophobicContact CG-CH2 3.73Å; Q857-W1053 HydrophobicContact CG-CZ3 4.06Å; Q857-W1053 VanDerWaalsContact NE2-CH2 3.27Å; E1051-W1053 VanDerWaalsContact C-N 3.26Å; E1051-W1053 PolarHBondContact O-N 3.22Å; E1051-W1053 VanDerWaalsContact O-N 3.12Å; E1051-W1053 VanDerWaalsContact OE2-CD1 3.23Å; E1051-W1053 PolarHBondContact OE2-NE1 2.93Å; E1051-W1053 VanDerWaalsContact OE2-NE1 3.15Å; W1053-Y1055 HydrophobicContact CB-CD2 4.38Å; W1053-Y1055 HydrophobicContact CB-CE1 4.41Å; W1053-Y1055 HydrophobicContact CB-CE2 3.59Å; W1053-Y1055 WeakPolarHBondContact CB-OH 3.48Å; W1053-Y1055 WeakPolarHBondContact O-CE2 3.45Å; W1053-R1074 HydrophobicContact CD2-CG 4.1Å; W1053-R1074 HydrophobicContact CE3-CB 4.06Å; W1053-R1074 HydrophobicContact CE3-CG 3.53Å; W1053-R1074 HydrophobicContact CZ3-CG 3.91Å; W1053-R1076 HydrophobicContact CD2-CB 4.18Å; W1053-R1076 HydrophobicContact CD2-CG 4.13Å; W1053-R1076 HydrophobicContact CE3-CB 3.91Å; W1053-R1076 HydrophobicContact CE3-CG 3.86Å; W1053-R1076 HydrophobicContact CH2-CG 3.85Å; W1053-R1076 HydrophobicContact CZ2-CG 4.14Å; W1053-R1076 HydrophobicContact CZ3-CB 4.23Å; W1053-R1076 HydrophobicContact CZ3-CG 3.73Å | ||
| 1054 | E | 86.6 | Confident | 67.8 | Low | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.7 | 165.9 | -60.6 | 173.5 | -164.7 | 0 | 0 | 108.5 | F1063 H1064 R1074 R1075 | E1054-F1063 HydrophobicContact CB-CB 4.1Å; E1054-F1063 HydrophobicContact CB-CD1 3.86Å; E1054-F1063 HydrophobicContact CB-CG 4.33Å; E1054-H1064 CarbonylContact C-O 3.43Å; E1054-R1074 CarbonylContact O-C 3.59Å; E1054-R1074 WeakPolarHBondContact O-CA 3.47Å; E1054-R1074 WeakPolarHBondContact O-CB 3.13Å; E1054-R1075 HydrophobicContact CB-CG 4.06Å; E1054-R1075 WeakPolarHBondContact CB-O 3.4Å; E1054-R1075 PolarHBondContact N-O 3.19Å; E1054-R1075 PolarHBondContact O-N 2.98Å; E1054-R1075 IonicContact OE2-CZ 2.79Å; E1054-R1075 VanDerWaalsContact OE2-CZ 3.31Å; E1054-R1075 IonicContact OE2-NE 2.78Å; E1054-R1075 PolarHBondContact OE2-NE 3.28Å; E1054-R1075 IonicContact OE2-NH2 3.14Å; E1054-R1075 PolarHBondContact OE2-NH2 2.93Å |
| 1055 | Y | 85.7 | Confident | 69 | Low | 23 Ų | 23 | 63.8 Ų | 63.8 | 9% | 0.09 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 153.4 | -176.2 | -56.6 | -100 | 0 | 0 | 0 | 111.4 | W864 W1053 F1063 H1064 E1067 D1071 R1074 | W864-Y1055 HydrophobicContact CH2-CD1 4.09Å; W864-Y1055 AromaticContact CZ2-CD1 3.66Å; W864-Y1055 HydrophobicContact CZ2-CD1 3.66Å; W864-Y1055 AromaticContact CZ2-CE1 3.84Å; W864-Y1055 HydrophobicContact CZ2-CE1 3.84Å; W1053-Y1055 HydrophobicContact CB-CD2 4.38Å; W1053-Y1055 HydrophobicContact CB-CE1 4.41Å; W1053-Y1055 HydrophobicContact CB-CE2 3.59Å; W1053-Y1055 WeakPolarHBondContact CB-OH 3.48Å; W1053-Y1055 WeakPolarHBondContact O-CE2 3.45Å; Y1055-F1063 CarbonylContact O-C 3.52Å; Y1055-F1063 VanDerWaalsContact O-CA 3.28Å; Y1055-F1063 WeakPolarHBondContact O-CA 3.02Å; Y1055-H1064 PolarHBondContact N-O 3.16Å; Y1055-H1064 PolarHBondContact O-CE1 2.86Å; Y1055-H1064 PolarHBondContact O-N 3.35Å; Y1055-H1064 PolarHBondContact O-ND1 2.93Å; Y1055-E1067 HydrophobicContact CD1-CB 3.77Å; Y1055-E1067 HydrophobicContact CD1-CG 3.7Å; Y1055-E1067 HydrophobicContact CD2-CB 4.1Å; Y1055-E1067 HydrophobicContact CE1-CB 3.69Å; Y1055-E1067 HydrophobicContact CE1-CG 3.68Å; Y1055-E1067 HydrophobicContact CE2-CB 4.04Å; Y1055-E1067 HydrophobicContact CG-CB 4Å; Y1055-E1067 HydrophobicContact CG-CG 4.35Å; Y1055-D1071 WeakPolarHBondContact CB-OD2 3.41Å; Y1055-R1074 HydrophobicContact CD1-CB 3.61Å; Y1055-R1074 HydrophobicContact CD1-CG 4.44Å; Y1055-R1074 HydrophobicContact CE1-CB 3.94Å; Y1055-R1074 VanDerWaalsContact CE1-CD 3.45Å; Y1055-R1074 HydrophobicContact CE1-CG 4.34Å; Y1055-R1074 HydrophobicContact CG-CB 4.14Å; Y1055-R1074 PolarHBondContact OH-NH1 3.48Å |
| 1056 | A | 84.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 161.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1058 F1063 D1071 M1072 V1073 | A1056-N1058 WeakPolarHBondContact CB-O 3.32Å; A1056-N1058 PolarHBondContact O-N 3.42Å; A1056-F1063 HydrophobicContact CB-CD1 3.78Å; A1056-F1063 HydrophobicContact CB-CD2 4.35Å; A1056-F1063 HydrophobicContact CB-CE1 3.82Å; A1056-F1063 HydrophobicContact CB-CE2 4.39Å; A1056-F1063 HydrophobicContact CB-CG 4.06Å; A1056-F1063 HydrophobicContact CB-CZ 4.13Å; A1056-D1071 WeakPolarHBondContact CA-OD1 3.36Å; A1056-D1071 WeakPolarHBondContact O-CA 3.38Å; A1056-M1072 PolarHBondContact O-N 3.48Å; A1056-M1072 VanDerWaalsContact O-N 3.16Å; A1056-V1073 HydrophobicContact CB-CG2 3.95Å; A1056-V1073 PolarHBondContact N-O 2.86Å; A1056-V1073 WeakPolarHBondContact O-CG2 3.48Å; A1056-V1073 PolarHBondContact O-N 2.94Å; A1056-V1073 VanDerWaalsContact O-O 3.07Å |
| 1057 | F | 78.4 | Confident | 72.3 | Confident | 104 Ų | 104 | 69.6 Ų | 69.6 | 46% | 0.456 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -56.6 | -48 | 169.4 | 177.6 | -107.4 | 0 | 0 | 0 | 112.1 | V1070 D1071 M1072 | F1057-V1070 HydrophobicContact CD2-CB 4.31Å; F1057-V1070 WeakPolarHBondContact CD2-O 3.42Å; F1057-D1071 PolarHBondContact N-OD1 2.99Å; F1057-M1072 HydrophobicContact CD2-CG 4.34Å; F1057-M1072 HydrophobicContact CE2-CG 4.35Å; F1057-M1072 HydrophobicContact CE2-SD 4Å; F1057-M1072 HydrophobicContact CZ-SD 4.33Å; F1057-M1072 WeakPolarHBondContact O-CB 3.32Å; F1057-M1072 WeakPolarHBondContact O-CG 3.39Å; F1057-M1072 PolarHBondContact O-N 3.04Å |
| 1058 | N | 81.6 | Confident | 73.7 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -148.1 | 171.5 | 172 | 67.1 | 42.5 | 0 | 0 | 0 | 111.2 | A1056 D1060 S1061 | A1056-N1058 WeakPolarHBondContact CB-O 3.32Å; A1056-N1058 PolarHBondContact O-N 3.42Å; N1058-D1060 PolarHBondContact O-N 2.66Å; N1058-D1060 PolarHBondContact OD1-N 3.08Å; N1058-S1061 VanDerWaalsContact CG-OG 3.23Å; N1058-S1061 VanDerWaalsContact O-CB 3.3Å; N1058-S1061 WeakPolarHBondContact O-CB 3.47Å; N1058-S1061 PolarHBondContact O-N 3.31Å; N1058-S1061 PolarHBondContact OD1-N 3.04Å; N1058-S1061 PolarHBondContact OD1-OG 3.23Å |
| 1059 | F | 81 | Confident | 74.9 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.9 | -175.6 | -79.7 | -76.2 | 0 | 0 | 0 | 115.3 | N856 L871 R873 F1063 V1073 | N856-F1059 HydrophobicContact CB-CE1 3.97Å; N856-F1059 HydrophobicContact CB-CZ 3.82Å; L871-F1059 HydrophobicContact CD1-CE2 3.78Å; L871-F1059 HydrophobicContact CD1-CZ 3.82Å; R873-F1059 HydrophobicContact CB-CD1 4.35Å; R873-F1059 HydrophobicContact CB-CD2 3.92Å; R873-F1059 HydrophobicContact CB-CE1 4.34Å; R873-F1059 HydrophobicContact CB-CE2 3.9Å; R873-F1059 HydrophobicContact CB-CG 4.18Å; R873-F1059 HydrophobicContact CB-CZ 4.14Å; R873-F1059 HydrophobicContact CG-CB 3.78Å; R873-F1059 HydrophobicContact CG-CD1 3.84Å; R873-F1059 HydrophobicContact CG-CD2 3.36Å; R873-F1059 HydrophobicContact CG-CE1 4.32Å; R873-F1059 HydrophobicContact CG-CE2 3.89Å; R873-F1059 HydrophobicContact CG-CG 3.36Å; R873-F1059 HydrophobicContact CG-CZ 4.36Å; F1059-F1063 HydrophobicContact CD1-CE2 4.48Å; F1059-F1063 AromaticContact CD1-CZ 3.81Å; F1059-F1063 HydrophobicContact CD1-CZ 3.81Å; F1059-F1063 HydrophobicContact CE1-CZ 4.21Å; F1059-V1073 HydrophobicContact CD1-CG2 4.36Å; F1059-V1073 HydrophobicContact CD2-CB 4.01Å; F1059-V1073 HydrophobicContact CD2-CG1 3.54Å; F1059-V1073 HydrophobicContact CD2-CG2 4.25Å; F1059-V1073 HydrophobicContact CE1-CB 4.28Å; F1059-V1073 HydrophobicContact CE1-CG2 4.44Å; F1059-V1073 HydrophobicContact CE2-CB 3.66Å; F1059-V1073 HydrophobicContact CE2-CG1 3.36Å; F1059-V1073 HydrophobicContact CE2-CG2 4.34Å; F1059-V1073 HydrophobicContact CG-CB 4.43Å; F1059-V1073 HydrophobicContact CG-CG1 4.33Å; F1059-V1073 HydrophobicContact CG-CG2 4.24Å; F1059-V1073 HydrophobicContact CZ-CB 3.78Å; F1059-V1073 HydrophobicContact CZ-CG1 4.03Å; F1059-V1073 HydrophobicContact CZ-CG2 4.4Å |
| 1060 | D | 76 | Confident | 76.2 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 57% | 0.567 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 4.3 | 177.6 | -54.3 | -62.6 | 0 | 0 | 0 | 111.5 | R873 R882 N1058 | R873-D1060 IonicContact CZ-OD1 3.62Å; R873-D1060 IonicContact CZ-OD2 3Å; R873-D1060 IonicContact NH2-OD1 3.69Å; R873-D1060 PolarHBondContact NH2-OD1 3.48Å; R873-D1060 IonicContact NH2-OD2 2.79Å; R873-D1060 PolarHBondContact NH2-OD2 2.93Å; R882-D1060 IonicContact NH2-OD1 3.45Å; N1058-D1060 PolarHBondContact O-N 2.66Å; N1058-D1060 PolarHBondContact OD1-N 3.08Å |
| 1061 | S | 74.2 | Confident | 77.6 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -94.7 | 159.7 | 175.3 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | N1058 F1063 | N1058-S1061 VanDerWaalsContact CG-OG 3.23Å; N1058-S1061 VanDerWaalsContact O-CB 3.3Å; N1058-S1061 WeakPolarHBondContact O-CB 3.47Å; N1058-S1061 PolarHBondContact O-N 3.31Å; N1058-S1061 PolarHBondContact OD1-N 3.04Å; N1058-S1061 PolarHBondContact OD1-OG 3.23Å; S1061-F1063 PolarHBondContact O-N 3.26Å |
| 1062 | K | 73.4 | Confident | 78.5 | Confident | 134 Ų | 134 | 67.9 Ų | 67.9 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 117.7 | 178.9 | -174.2 | 171 | -175.6 | 169.1 | 0 | 111.4 | N606 H1064 | N606-K1062 PolarHBondContact ND2-NZ 3Å; K1062-H1064 PolarHBondContact O-CD2 3.47Å |
| 1063 | F | 78.6 | Confident | 79.1 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 148.5 | 177.3 | -79.4 | -86.9 | 0 | 0 | 0 | 114.2 | E1054 Y1055 A1056 F1059 S1061 V1073 R1075 | E1054-F1063 HydrophobicContact CB-CB 4.1Å; E1054-F1063 HydrophobicContact CB-CD1 3.86Å; E1054-F1063 HydrophobicContact CB-CG 4.33Å; Y1055-F1063 CarbonylContact O-C 3.52Å; Y1055-F1063 VanDerWaalsContact O-CA 3.28Å; Y1055-F1063 WeakPolarHBondContact O-CA 3.02Å; A1056-F1063 HydrophobicContact CB-CD1 3.78Å; A1056-F1063 HydrophobicContact CB-CD2 4.35Å; A1056-F1063 HydrophobicContact CB-CE1 3.82Å; A1056-F1063 HydrophobicContact CB-CE2 4.39Å; A1056-F1063 HydrophobicContact CB-CG 4.06Å; A1056-F1063 HydrophobicContact CB-CZ 4.13Å; F1059-F1063 HydrophobicContact CD1-CE2 4.48Å; F1059-F1063 AromaticContact CD1-CZ 3.81Å; F1059-F1063 HydrophobicContact CD1-CZ 3.81Å; F1059-F1063 HydrophobicContact CE1-CZ 4.21Å; S1061-F1063 PolarHBondContact O-N 3.26Å; F1063-V1073 HydrophobicContact CE1-CG2 4.03Å; F1063-V1073 HydrophobicContact CZ-CG2 3.95Å; F1063-R1075 HydrophobicContact CD1-CG 3.9Å; F1063-R1075 HydrophobicContact CE1-CB 4.27Å; F1063-R1075 HydrophobicContact CE1-CG 3.64Å; F1063-R1075 HydrophobicContact CZ-CG 4.06Å |
| 1064 | H | 71.1 | Confident | 79.2 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -147.3 | 152.8 | 179 | 44.3 | 77.9 | 0 | 0 | 0 | 113.1 | E1054 Y1055 K1062 K1066 R1068 D1071 | E1054-H1064 CarbonylContact C-O 3.43Å; Y1055-H1064 PolarHBondContact N-O 3.16Å; Y1055-H1064 PolarHBondContact O-CE1 2.86Å; Y1055-H1064 PolarHBondContact O-N 3.35Å; Y1055-H1064 PolarHBondContact O-ND1 2.93Å; K1062-H1064 PolarHBondContact O-CD2 3.47Å; H1064-K1066 PolarHBondContact ND1-O 2.89Å; H1064-K1066 PolarHBondContact O-N 3.14Å; H1064-R1068 PolarHBondContact CD2-NH2 2.71Å; H1064-R1068 VanDerWaalsContact CD2-NH2 3.31Å; H1064-R1068 PolarHBondContact CE1-NE 3.34Å; H1064-R1068 PolarHBondContact NE2-NE 3.09Å; H1064-R1068 VanDerWaalsContact NE2-NE 3.13Å; H1064-D1071 IonicContact CE1-OD1 3.67Å; H1064-D1071 PolarHBondContact CE1-OD1 3.21Å; H1064-D1071 VanDerWaalsContact CE1-OD1 3.23Å; H1064-D1071 IonicContact CE1-OD2 2.79Å; H1064-D1071 PolarHBondContact CE1-OD2 2.94Å; H1064-D1071 VanDerWaalsContact CE1-OD2 3.29Å; H1064-D1071 IonicContact NE2-OD1 3.8Å |
| 1065 | T | 71.5 | Confident | 79.4 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -79.3 | -16.8 | -171.5 | 47.7 | 0 | 0 | 0 | 0 | 116.2 | L911 | L911-T1065 HydrophobicContact CD1-CG2 3.43Å; L911-T1065 VanDerWaalsContact CD1-CG2 3.43Å; L911-T1065 HydrophobicContact CD2-CG2 4.13Å; L911-T1065 HydrophobicContact CG-CG2 4.45Å |
| 1066 | K | 74.3 | Confident | 79.6 | Confident | 171 Ų | 171 | 69 Ų | 69 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -100.7 | 128 | 174.4 | -67.7 | -171.5 | 178 | -174.3 | 0 | 109.6 | H1064 | H1064-K1066 PolarHBondContact ND1-O 2.89Å; H1064-K1066 PolarHBondContact O-N 3.14Å |
| 1067 | E | 79.4 | Confident | 79.9 | Confident | 109 Ų | 109 | 69.6 Ų | 69.6 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | trans | -64.1 | 135.4 | 173.1 | -172.7 | 172.8 | -166.9 | 0 | 0 | 110.8 | W864 Y1055 | W864-E1067 HydrophobicContact CZ2-CG 4.36Å; W864-E1067 WeakPolarHBondContact CZ2-OE1 3.25Å; W864-E1067 PolarHBondContact NE1-OE1 3.03Å; Y1055-E1067 HydrophobicContact CD1-CB 3.77Å; Y1055-E1067 HydrophobicContact CD1-CG 3.7Å; Y1055-E1067 HydrophobicContact CD2-CB 4.1Å; Y1055-E1067 HydrophobicContact CE1-CB 3.69Å; Y1055-E1067 HydrophobicContact CE1-CG 3.68Å; Y1055-E1067 HydrophobicContact CE2-CB 4.04Å; Y1055-E1067 HydrophobicContact CG-CB 4Å; Y1055-E1067 HydrophobicContact CG-CG 4.35Å | ||
| 1068 | R | 75 | Confident | 80.5 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 36% | 0.362 | 31% | 0.311 | S | S | . | . | trans | -117.7 | 155.2 | 175.8 | -52.6 | -176.4 | -164.1 | -169.3 | 6.5 | 109.1 | E950 H1064 V1070 D1071 | E950-R1068 WeakPolarHBondContact OE2-CD 3.32Å; E950-R1068 IonicContact OE2-CZ 2.75Å; E950-R1068 IonicContact OE2-NE 3.53Å; E950-R1068 IonicContact OE2-NH1 3.32Å; E950-R1068 PolarHBondContact OE2-NH1 3.35Å; H1064-R1068 PolarHBondContact CD2-NH2 2.71Å; H1064-R1068 VanDerWaalsContact CD2-NH2 3.31Å; H1064-R1068 PolarHBondContact CE1-NE 3.34Å; H1064-R1068 PolarHBondContact NE2-NE 3.09Å; H1064-R1068 VanDerWaalsContact NE2-NE 3.13Å; R1068-V1070 HydrophobicContact CB-CG2 4.07Å; R1068-V1070 PolarHBondContact O-N 3.08Å; R1068-V1070 VanDerWaalsContact O-N 3.08Å; R1068-D1071 WeakPolarHBondContact CB-OD2 3.25Å; R1068-D1071 PolarHBondContact N-OD2 3.1Å; R1068-D1071 WeakPolarHBondContact O-CB 3.46Å; R1068-D1071 PolarHBondContact O-N 2.79Å | ||
| 1069 | K | 71.6 | Confident | 80.9 | Confident | 225 Ų | 225 | 63.7 Ų | 63.7 | 98% | 0.978 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20 | -179.4 | -68 | -177.6 | 178.7 | 177.5 | 0 | 114.6 | ||
| 1070 | V | 74.5 | Confident | 81.5 | Confident | 58 Ų | 58 | 65 Ų | 65 | 35% | 0.352 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -11.6 | 179.3 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | E950 F1057 R1068 M1072 | E950-V1070 VanDerWaalsContact OE1-CG2 3.31Å; E950-V1070 WeakPolarHBondContact OE1-CG2 3.5Å; F1057-V1070 HydrophobicContact CD2-CB 4.31Å; F1057-V1070 WeakPolarHBondContact CD2-O 3.42Å; R1068-V1070 HydrophobicContact CB-CG2 4.07Å; R1068-V1070 PolarHBondContact O-N 3.08Å; R1068-V1070 VanDerWaalsContact O-N 3.08Å; V1070-M1072 WeakPolarHBondContact O-CG 3.29Å; V1070-M1072 PolarHBondContact O-N 3.45Å; V1070-M1072 VanDerWaalsContact O-N 3.15Å |
| 1071 | D | 81.8 | Confident | 82.2 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | trans | -67.6 | 117.1 | -172.1 | -67.2 | -31.2 | 0 | 0 | 0 | 110.9 | W864 Y1055 A1056 F1057 H1064 R1068 | W864-D1071 HydrophobicContact CH2-CB 4.04Å; W864-D1071 WeakPolarHBondContact CH2-O 3.4Å; W864-D1071 HydrophobicContact CZ2-CB 4.4Å; Y1055-D1071 WeakPolarHBondContact CB-OD2 3.41Å; A1056-D1071 WeakPolarHBondContact CA-OD1 3.36Å; A1056-D1071 WeakPolarHBondContact O-CA 3.38Å; F1057-D1071 PolarHBondContact N-OD1 2.99Å; H1064-D1071 IonicContact CE1-OD1 3.67Å; H1064-D1071 PolarHBondContact CE1-OD1 3.21Å; H1064-D1071 VanDerWaalsContact CE1-OD1 3.23Å; H1064-D1071 IonicContact CE1-OD2 2.79Å; H1064-D1071 PolarHBondContact CE1-OD2 2.94Å; H1064-D1071 VanDerWaalsContact CE1-OD2 3.29Å; H1064-D1071 IonicContact NE2-OD1 3.8Å; R1068-D1071 WeakPolarHBondContact CB-OD2 3.25Å; R1068-D1071 PolarHBondContact N-OD2 3.1Å; R1068-D1071 WeakPolarHBondContact O-CB 3.46Å; R1068-D1071 PolarHBondContact O-N 2.79Å | ||
| 1072 | M | 85.4 | Confident | 82.9 | Confident | 101 Ų | 101 | 59.3 Ų | 59.3 | 50% | 0.498 | 27% | 0.271 | S | S | . | . | trans | -98 | -12.1 | 175.3 | -45.6 | -174.2 | 63 | 0 | 0 | 112 | A858 S859 A1056 F1057 V1070 | A858-M1072 CarbonylContact C-O 3.59Å; A858-M1072 WeakPolarHBondContact CA-O 3.33Å; S859-M1072 PolarHBondContact N-O 3.05Å; A1056-M1072 PolarHBondContact O-N 3.48Å; A1056-M1072 VanDerWaalsContact O-N 3.16Å; F1057-M1072 HydrophobicContact CD2-CG 4.34Å; F1057-M1072 HydrophobicContact CE2-CG 4.35Å; F1057-M1072 HydrophobicContact CE2-SD 4Å; F1057-M1072 HydrophobicContact CZ-SD 4.33Å; F1057-M1072 WeakPolarHBondContact O-CB 3.32Å; F1057-M1072 WeakPolarHBondContact O-CG 3.39Å; F1057-M1072 PolarHBondContact O-N 3.04Å; V1070-M1072 WeakPolarHBondContact O-CG 3.29Å; V1070-M1072 PolarHBondContact O-N 3.45Å; V1070-M1072 VanDerWaalsContact O-N 3.15Å | ||
| 1073 | V | 88.7 | Confident | 83.3 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.4 | 179.8 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | Q857 W864 A1056 F1059 F1063 | Q857-V1073 WeakPolarHBondContact O-CA 3.47Å; W864-V1073 VanDerWaalsContact CZ3-C 3.4Å; A1056-V1073 HydrophobicContact CB-CG2 3.95Å; A1056-V1073 PolarHBondContact N-O 2.86Å; A1056-V1073 WeakPolarHBondContact O-CG2 3.48Å; A1056-V1073 PolarHBondContact O-N 2.94Å; A1056-V1073 VanDerWaalsContact O-O 3.07Å; F1059-V1073 HydrophobicContact CD1-CG2 4.36Å; F1059-V1073 HydrophobicContact CD2-CB 4.01Å; F1059-V1073 HydrophobicContact CD2-CG1 3.54Å; F1059-V1073 HydrophobicContact CD2-CG2 4.25Å; F1059-V1073 HydrophobicContact CE1-CB 4.28Å; F1059-V1073 HydrophobicContact CE1-CG2 4.44Å; F1059-V1073 HydrophobicContact CE2-CB 3.66Å; F1059-V1073 HydrophobicContact CE2-CG1 3.36Å; F1059-V1073 HydrophobicContact CE2-CG2 4.34Å; F1059-V1073 HydrophobicContact CG-CB 4.43Å; F1059-V1073 HydrophobicContact CG-CG1 4.33Å; F1059-V1073 HydrophobicContact CG-CG2 4.24Å; F1059-V1073 HydrophobicContact CZ-CB 3.78Å; F1059-V1073 HydrophobicContact CZ-CG1 4.03Å; F1059-V1073 HydrophobicContact CZ-CG2 4.4Å; F1063-V1073 HydrophobicContact CE1-CG2 4.03Å; F1063-V1073 HydrophobicContact CZ-CG2 3.95Å |
| 1074 | R | 90.9 | Very high | 83.3 | Confident | 32 Ų | 32 | 56 Ų | 56 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.2 | 166.7 | 70.5 | 178.1 | -172.9 | 172.6 | 0.7 | 111.2 | Q857 W864 W1053 E1054 Y1055 | Q857-R1074 HydrophobicContact CB-CG 3.96Å; Q857-R1074 PolarHBondContact N-O 3.43Å; Q857-R1074 PolarHBondContact O-N 3.42Å; W864-R1074 HydrophobicContact CD2-CG 3.86Å; W864-R1074 HydrophobicContact CE3-CB 4.27Å; W864-R1074 HydrophobicContact CE3-CG 3.59Å; W864-R1074 HydrophobicContact CG-CG 4.48Å; W864-R1074 VanDerWaalsContact CG-NE 3.33Å; W864-R1074 HydrophobicContact CH2-CB 4.14Å; W864-R1074 HydrophobicContact CH2-CG 4.32Å; W864-R1074 HydrophobicContact CZ3-CB 4Å; W864-R1074 HydrophobicContact CZ3-CG 3.84Å; W1053-R1074 HydrophobicContact CD2-CG 4.1Å; W1053-R1074 HydrophobicContact CE3-CB 4.06Å; W1053-R1074 HydrophobicContact CE3-CG 3.53Å; W1053-R1074 HydrophobicContact CZ3-CG 3.91Å; E1054-R1074 CarbonylContact O-C 3.59Å; E1054-R1074 WeakPolarHBondContact O-CA 3.47Å; E1054-R1074 WeakPolarHBondContact O-CB 3.13Å; Y1055-R1074 HydrophobicContact CD1-CB 3.61Å; Y1055-R1074 HydrophobicContact CD1-CG 4.44Å; Y1055-R1074 HydrophobicContact CE1-CB 3.94Å; Y1055-R1074 VanDerWaalsContact CE1-CD 3.45Å; Y1055-R1074 HydrophobicContact CE1-CG 4.34Å; Y1055-R1074 HydrophobicContact CG-CB 4.14Å; Y1055-R1074 PolarHBondContact OH-NH1 3.48Å |
| 1075 | R | 90.7 | Very high | 83.3 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 159.8 | 175 | 72.2 | -175.8 | -172.4 | 170.5 | 5.6 | 112.2 | Y854 E855 N856 N879 E1054 F1063 | Y854-R1075 HydrophobicContact CD1-CG 4.34Å; E855-R1075 CarbonylContact O-C 3.57Å; E855-R1075 WeakPolarHBondContact O-CA 3.32Å; E855-R1075 WeakPolarHBondContact O-CB 3.46Å; N856-R1075 VanDerWaalsContact OD1-CB 3.23Å; N856-R1075 WeakPolarHBondContact OD1-CB 3.37Å; N879-R1075 PolarHBondContact O-NH1 2.95Å; E1054-R1075 HydrophobicContact CB-CG 4.06Å; E1054-R1075 WeakPolarHBondContact CB-O 3.4Å; E1054-R1075 PolarHBondContact N-O 3.19Å; E1054-R1075 PolarHBondContact O-N 2.98Å; E1054-R1075 IonicContact OE2-CZ 2.79Å; E1054-R1075 VanDerWaalsContact OE2-CZ 3.31Å; E1054-R1075 IonicContact OE2-NE 2.78Å; E1054-R1075 PolarHBondContact OE2-NE 3.28Å; E1054-R1075 IonicContact OE2-NH2 3.14Å; E1054-R1075 PolarHBondContact OE2-NH2 2.93Å; F1063-R1075 HydrophobicContact CD1-CG 3.9Å; F1063-R1075 HydrophobicContact CE1-CB 4.27Å; F1063-R1075 HydrophobicContact CE1-CG 3.64Å; F1063-R1075 HydrophobicContact CZ-CG 4.06Å |
| 1076 | R | 89.9 | Confident | 82.8 | Confident | 35 Ų | 35 | 64 Ų | 64 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 140.3 | 167.7 | 60.6 | 177 | 175.2 | -175.9 | -10.4 | 111.2 | Y854 E855 A1050 E1051 W1053 | Y854-R1076 CarbonylContact C-O 3.49Å; Y854-R1076 WeakPolarHBondContact CA-O 3.28Å; E855-R1076 HydrophobicContact CB-CG 3.91Å; E855-R1076 PolarHBondContact N-O 3.47Å; E855-R1076 PolarHBondContact O-N 3.14Å; E855-R1076 IonicContact OE1-NH2 3.56Å; E855-R1076 PolarHBondContact OE1-NH2 3.07Å; E855-R1076 IonicContact OE2-CZ 3.76Å; E855-R1076 IonicContact OE2-NE 2.68Å; E855-R1076 PolarHBondContact OE2-NE 3.43Å; E855-R1076 IonicContact OE2-NH2 3.45Å; E855-R1076 PolarHBondContact OE2-NH2 2.84Å; A1050-R1076 PolarHBondContact O-NH1 3.39Å; E1051-R1076 WeakPolarHBondContact O-CD 3.26Å; W1053-R1076 HydrophobicContact CD2-CB 4.18Å; W1053-R1076 HydrophobicContact CD2-CG 4.13Å; W1053-R1076 HydrophobicContact CE3-CB 3.91Å; W1053-R1076 HydrophobicContact CE3-CG 3.86Å; W1053-R1076 HydrophobicContact CH2-CG 3.85Å; W1053-R1076 HydrophobicContact CZ2-CG 4.14Å; W1053-R1076 HydrophobicContact CZ3-CB 4.23Å; W1053-R1076 HydrophobicContact CZ3-CG 3.73Å |
| 1077 | R | 90.2 | Very high | 81.8 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.5 | -176 | -170.9 | 177.8 | 83.1 | 173.8 | -17.5 | 111.6 | E852 Y854 V904 S905 P906 E907 H1079 | E852-R1077 HydrophobicContact CG-CG 4.03Å; E852-R1077 WeakPolarHBondContact OE2-CD 3.28Å; E852-R1077 IonicContact OE2-CZ 3.11Å; E852-R1077 IonicContact OE2-NE 3.17Å; E852-R1077 IonicContact OE2-NH1 3.01Å; E852-R1077 PolarHBondContact OE2-NH1 2.64Å; Y854-R1077 HydrophobicContact CD1-CB 3.89Å; Y854-R1077 HydrophobicContact CD1-CG 4.24Å; Y854-R1077 HydrophobicContact CE1-CB 3.59Å; Y854-R1077 HydrophobicContact CE1-CG 3.72Å; Y854-R1077 HydrophobicContact CE2-CG 3.98Å; Y854-R1077 VanDerWaalsContact CZ-CD 3.45Å; Y854-R1077 WeakPolarHBondContact OH-CD 3.43Å; V904-R1077 WeakPolarHBondContact CA-O 3.44Å; S905-R1077 PolarHBondContact N-O 3.05Å; S905-R1077 WeakPolarHBondContact O-CB 3.23Å; S905-R1077 PolarHBondContact O-NE 2.73Å; S905-R1077 PolarHBondContact O-NH2 2.71Å; P906-R1077 PolarHBondContact O-NH2 2.83Å; E907-R1077 IonicContact OE1-CZ 2.7Å; E907-R1077 IonicContact OE1-NH1 2.67Å; E907-R1077 PolarHBondContact OE1-NH1 3.1Å; E907-R1077 IonicContact OE1-NH2 2.69Å; E907-R1077 PolarHBondContact OE1-NH2 3.06Å; E907-R1077 IonicContact OE2-NH1 3.25Å; E907-R1077 PolarHBondContact OE2-NH1 3Å; R1077-H1079 PolarHBondContact NE-NE2 3.25Å |
| 1078 | W | 90.9 | Very high | 80.3 | Confident | 32 Ų | 32 | 60 Ų | 60 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.7 | 179.2 | -69.9 | 85.5 | 0 | 0 | 0 | 110.3 | E852 T853 E855 W876 K887 W902 Y903 V904 | E852-W1078 WeakPolarHBondContact CA-O 3.26Å; T853-W1078 HydrophobicContact CG2-CB 4.01Å; T853-W1078 PolarHBondContact N-O 3.12Å; T853-W1078 PolarHBondContact O-N 3.15Å; E855-W1078 PolarHBondContact OE2-NE1 2.84Å; W876-W1078 AromaticContact CH2-CD1 3.83Å; W876-W1078 AromaticContact CH2-CE2 3.94Å; W876-W1078 HydrophobicContact CH2-CG 4.42Å; W876-W1078 HydrophobicContact CH2-CZ2 4.47Å; W876-W1078 AromaticContact CH2-NE1 3.45Å; W876-W1078 AromaticContact CZ3-CD1 3.45Å; W876-W1078 VanDerWaalsContact CZ3-CD1 3.45Å; W876-W1078 HydrophobicContact CZ3-CG 4.01Å; W876-W1078 AromaticContact CZ3-NE1 3.6Å; K887-W1078 HydrophobicContact CD-CB 4.36Å; K887-W1078 HydrophobicContact CD-CD2 4.19Å; K887-W1078 HydrophobicContact CD-CE3 4.38Å; K887-W1078 HydrophobicContact CD-CG 4.21Å; W902-W1078 HydrophobicContact CB-CE3 3.91Å; W902-W1078 HydrophobicContact CB-CZ3 4.28Å; W902-W1078 HydrophobicContact CE3-CB 3.93Å; W902-W1078 HydrophobicContact CZ3-CB 4.34Å; W902-W1078 WeakPolarHBondContact O-CZ3 3.33Å; Y903-W1078 CarbonylContact O-C 3.58Å; Y903-W1078 WeakPolarHBondContact O-CA 3.3Å; V904-W1078 HydrophobicContact CG2-CD2 3.92Å; V904-W1078 HydrophobicContact CG2-CE3 3.9Å; V904-W1078 HydrophobicContact CG2-CH2 3.83Å; V904-W1078 HydrophobicContact CG2-CZ2 3.85Å; V904-W1078 HydrophobicContact CG2-CZ3 3.85Å |
| 1079 | H | 90.7 | Very high | 79.1 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.032 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 150.8 | 173.2 | -75.1 | 173.8 | 0 | 0 | 0 | 111 | V850 A851 E852 W902 Y903 S905 R1077 | V850-H1079 HydrophobicContact CB-CB 4.39Å; A851-H1079 VanDerWaalsContact O-CA 3.28Å; A851-H1079 WeakPolarHBondContact O-CA 3.36Å; E852-H1079 IonicContact OE2-CD2 3.47Å; E852-H1079 IonicContact OE2-CE1 3.31Å; E852-H1079 IonicContact OE2-NE2 3.77Å; E852-H1079 PolarHBondContact OE2-NE2 3.43Å; W902-H1079 WeakPolarHBondContact CA-O 3.41Å; W902-H1079 VanDerWaalsContact CE3-C 3.48Å; Y903-H1079 VanDerWaalsContact CD1-O 3.28Å; Y903-H1079 WeakPolarHBondContact CD1-O 3.38Å; Y903-H1079 HydrophobicContact CD2-CB 4.48Å; Y903-H1079 HydrophobicContact CE1-CB 4.07Å; Y903-H1079 HydrophobicContact CE2-CB 3.89Å; Y903-H1079 PolarHBondContact N-O 2.68Å; Y903-H1079 PolarHBondContact O-N 3.17Å; S905-H1079 WeakPolarHBondContact CB-ND1 2.85Å; S905-H1079 PolarHBondContact OG-CE1 3.1Å; S905-H1079 PolarHBondContact OG-ND1 3.35Å; R1077-H1079 PolarHBondContact NE-NE2 3.25Å |
| 1080 | R | 92.1 | Very high | 77.9 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 128.8 | 165.4 | -169.8 | 175.2 | -170.1 | 160.1 | 12.8 | 109.3 | V850 A851 W898 G900 D901 W902 | V850-R1080 CarbonylContact C-O 3.55Å; V850-R1080 WeakPolarHBondContact CA-O 3.31Å; A851-R1080 PolarHBondContact N-O 3.41Å; A851-R1080 PolarHBondContact O-N 3.29Å; A851-R1080 VanDerWaalsContact O-N 3.09Å; W898-R1080 HydrophobicContact CD2-CG 4.23Å; W898-R1080 HydrophobicContact CE3-CB 4.09Å; W898-R1080 VanDerWaalsContact CE3-CD 3.48Å; W898-R1080 HydrophobicContact CE3-CG 3.57Å; W898-R1080 HydrophobicContact CZ3-CB 3.93Å; W898-R1080 HydrophobicContact CZ3-CG 3.95Å; G900-R1080 VanDerWaalsContact O-CZ 3.23Å; G900-R1080 PolarHBondContact O-NE 2.97Å; G900-R1080 PolarHBondContact O-NH2 3.48Å; D901-R1080 IonicContact OD1-CZ 3.31Å; D901-R1080 IonicContact OD1-NH1 3.95Å; D901-R1080 IonicContact OD1-NH2 2.79Å; D901-R1080 PolarHBondContact OD1-NH2 2.84Å; W902-R1080 HydrophobicContact CD2-CB 3.62Å; W902-R1080 HydrophobicContact CD2-CG 4.41Å; W902-R1080 HydrophobicContact CE3-CB 3.59Å; W902-R1080 HydrophobicContact CG-CB 4.12Å; W902-R1080 HydrophobicContact CG-CG 4.5Å; W902-R1080 HydrophobicContact CH2-CB 4.28Å; W902-R1080 HydrophobicContact CZ2-CB 4.31Å; W902-R1080 HydrophobicContact CZ3-CB 3.93Å |
| 1081 | A | 90.4 | Very high | 76.9 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 146.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V849 V850 V899 | V849-A1081 WeakPolarHBondContact O-CA 3.46Å; V850-A1081 HydrophobicContact CG1-CB 4.36Å; V899-A1081 HydrophobicContact CB-CB 4.11Å; V899-A1081 PolarHBondContact N-O 3Å |
| 1082 | L | 89.2 | Confident | 75.7 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 147.8 | 173.1 | 51.3 | 150.1 | 0 | 0 | 0 | 110.5 | V849 A851 L892 W896 E897 W898 L1096 | V849-L1082 HydrophobicContact CB-CG 4.15Å; V849-L1082 HydrophobicContact CG1-CD1 3.84Å; V849-L1082 HydrophobicContact CG1-CD2 4.09Å; V849-L1082 HydrophobicContact CG1-CG 3.77Å; V849-L1082 PolarHBondContact O-N 3.48Å; A851-L1082 HydrophobicContact CB-CD2 4.11Å; A851-L1082 VanDerWaalsContact N-CD2 3.29Å; L892-L1082 HydrophobicContact CD2-CB 3.93Å; L892-L1082 HydrophobicContact CD2-CD1 3.96Å; L892-L1082 HydrophobicContact CD2-CG 4.43Å; W896-L1082 HydrophobicContact CD2-CD1 4.15Å; W896-L1082 HydrophobicContact CE3-CB 4.1Å; W896-L1082 HydrophobicContact CE3-CD1 3.64Å; W896-L1082 HydrophobicContact CE3-CG 4.09Å; W896-L1082 HydrophobicContact CZ3-CD1 3.99Å; W896-L1082 HydrophobicContact CZ3-CG 4.27Å; E897-L1082 VanDerWaalsContact O-CA 3.22Å; E897-L1082 WeakPolarHBondContact O-CA 3.43Å; E897-L1082 WeakPolarHBondContact O-CB 2.85Å; W898-L1082 HydrophobicContact CE3-CB 4.16Å; W898-L1082 HydrophobicContact CZ3-CB 4.32Å; W898-L1082 HydrophobicContact CZ3-CD2 3.89Å; L1082-L1096 HydrophobicContact CD1-CD2 4.08Å |
| 1083 | A | 83.1 | Confident | 74.9 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W896 E897 V899 | W896-A1083 CarbonylContact C-O 3.46Å; W896-A1083 WeakPolarHBondContact CA-O 3.28Å; E897-A1083 PolarHBondContact N-O 2.88Å; E897-A1083 PolarHBondContact O-N 2.85Å; V899-A1083 HydrophobicContact CG2-CB 3.57Å |
| 1084 | P | 77 | Confident | 74.1 | Confident | 57 Ų | 57 | 52 Ų | 52 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 135.7 | 169.3 | 29 | -34.6 | 0 | 0 | 0 | 110.4 | G895 E1086 T1091 | G895-P1084 CarbonylContact O-C 3.59Å; G895-P1084 WeakPolarHBondContact O-CA 3.49Å; P1084-E1086 VanDerWaalsContact C-N 3.25Å; P1084-E1086 PolarHBondContact O-N 2.61Å; P1084-T1091 HydrophobicContact CB-CG2 3.88Å |
| 1085 | K | 72.5 | Confident | 73.5 | Confident | 123 Ų | 123 | 51.3 Ų | 51.3 | 54% | 0.535 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -64.8 | -26.9 | -177.9 | -80 | 171 | 168.5 | 149.6 | 0 | 113.8 | G895 W896 E897 | G895-K1085 WeakPolarHBondContact O-CB 3.25Å; G895-K1085 PolarHBondContact O-N 2.72Å; W896-K1085 WeakPolarHBondContact O-CE 3.45Å; W896-K1085 PolarHBondContact O-NZ 2.66Å; E897-K1085 HydrophobicContact CB-CD 4.41Å; E897-K1085 HydrophobicContact CB-CG 3.72Å; E897-K1085 HydrophobicContact CG-CG 3.74Å |
| 1086 | E | 60.5 | Low | 73.2 | Confident | 144 Ų | 144 | 50.2 Ų | 50.2 | 67% | 0.673 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -159.5 | 158.5 | 175 | -103.6 | 165.4 | -166.4 | 0 | 0 | 107.2 | P1084 S1088 | P1084-E1086 VanDerWaalsContact C-N 3.25Å; P1084-E1086 PolarHBondContact O-N 2.61Å; E1086-S1088 PolarHBondContact O-N 3.2Å |
| 1087 | L | 53.6 | Low | 72.6 | Confident | 149 Ų | 149 | 53.8 Ų | 53.8 | 78% | 0.78 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -71.4 | 23.3 | 170.5 | -91.7 | 94.2 | 0 | 0 | 0 | 113.1 | ||
| 1088 | S | 48.6 | Very low | 72 | Confident | 49 Ų | 49 | 54 Ų | 54 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | trans | -65.1 | 146.4 | 175.9 | 64.9 | 0 | 0 | 0 | 0 | 111 | R835 E1086 E1090 T1091 | R835-S1088 PolarHBondContact NH2-O 2.8Å; R835-S1088 VanDerWaalsContact NH2-O 3.09Å; E1086-S1088 PolarHBondContact O-N 3.2Å; S1088-E1090 PolarHBondContact O-N 2.87Å; S1088-T1091 PolarHBondContact O-OG1 3.4Å | ||
| 1089 | S | 48.5 | Very low | 71.2 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 76% | 0.755 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -2.9 | -176.4 | 37.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1090 | E | 47 | Very low | 69.5 | Low | 147 Ų | 147 | 62 Ų | 62 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.5 | -179.1 | -62.3 | -168.2 | 160.4 | 0 | 0 | 114.8 | S1088 S1092 | S1088-E1090 PolarHBondContact O-N 2.87Å; E1090-S1092 PolarHBondContact O-N 2.79Å |
| 1091 | T | 52.2 | Low | 67.5 | Low | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | trans | -77.3 | 65.5 | 179 | 29.9 | 0 | 0 | 0 | 0 | 112.5 | R835 G895 P1084 S1088 | R835-T1091 PolarHBondContact NH1-O 2.82Å; R835-T1091 PolarHBondContact NH1-OG1 2.58Å; R835-T1091 PolarHBondContact NH2-OG1 2.71Å; G895-T1091 VanDerWaalsContact C-CG2 3.46Å; G895-T1091 WeakPolarHBondContact O-CG2 3.5Å; P1084-T1091 HydrophobicContact CB-CG2 3.88Å; S1088-T1091 PolarHBondContact O-OG1 3.4Å | ||
| 1092 | S | 57.7 | Low | 65.3 | Low | 34 Ų | 34 | 69.5 Ų | 69.5 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | trans | -66.6 | -48.4 | -168.9 | -76.3 | 0 | 0 | 0 | 0 | 116.6 | K557 Q559 E832 E1090 | K557-S1092 PolarHBondContact NZ-OG 2.91Å; Q559-S1092 PolarHBondContact NE2-O 2.99Å; E832-S1092 WeakPolarHBondContact OE1-CA 3.37Å; E832-S1092 WeakPolarHBondContact OE1-CB 3.41Å; E832-S1092 PolarHBondContact OE1-OG 3.32Å; E1090-S1092 PolarHBondContact O-N 2.79Å | ||
| 1093 | S | 68 | Low | 62.8 | Low | 35 Ų | 35 | 78.1 Ų | 78.1 | 25% | 0.245 | 43% | 0.426 | C | S | . | . | trans | -136 | 151.8 | -171.3 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | D629 P893 W896 V1095 | D629-S1093 VanDerWaalsContact OD2-CB 3.29Å; D629-S1093 WeakPolarHBondContact OD2-CB 3.36Å; D629-S1093 PolarHBondContact OD2-OG 2.79Å; P893-S1093 VanDerWaalsContact CG-O 3.3Å; P893-S1093 WeakPolarHBondContact CG-O 3.33Å; W896-S1093 PolarHBondContact NE1-O 2.85Å; S1093-V1095 WeakPolarHBondContact OG-CG2 3.28Å; S1093-V1095 PolarHBondContact OG-N 2.8Å | ||
| 1094 | C | 71.6 | Confident | 60.3 | Low | 2 Ų | 2 | 84.8 Ų | 84.8 | 1% | 0.014 | 45% | 0.452 | C | S | . | . | trans | -95 | -1.2 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 113.6 | M627 W896 L1096 P1120 | M627-C1094 HydrophobicContact CE-CB 4.04Å; M627-C1094 VanDerWaalsContact CE-SG 3.53Å; W896-C1094 HydrophobicContact CH2-CB 4.21Å; W896-C1094 HydrophobicContact CZ2-CB 3.76Å; C1094-L1096 PolarHBondContact O-N 3.19Å; C1094-P1120 HydrophobicContact CB-CG 3.89Å; C1094-P1120 WeakPolarHBondContact O-CD 3.39Å; C1094-P1120 VanDerWaalsContact SG-CG 3.56Å | ||
| 1095 | V | 80.2 | Confident | 58.3 | Low | 16 Ų | 16 | 87.3 Ų | 87.3 | 10% | 0.097 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 129.1 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | T596 P597 P893 S1093 L1117 V1119 | T596-V1095 HydrophobicContact CG2-CG1 4.36Å; T596-V1095 HydrophobicContact CG2-CG2 4.27Å; P597-V1095 VanDerWaalsContact O-CG2 3.28Å; P597-V1095 WeakPolarHBondContact O-CG2 3.5Å; P893-V1095 WeakPolarHBondContact CD-O 3.5Å; P893-V1095 VanDerWaalsContact CG-O 3.31Å; P893-V1095 WeakPolarHBondContact CG-O 3.4Å; S1093-V1095 WeakPolarHBondContact OG-CG2 3.28Å; S1093-V1095 PolarHBondContact OG-N 2.8Å; V1095-L1117 HydrophobicContact CG1-CB 4.3Å; V1095-L1117 HydrophobicContact CG1-CD2 4.2Å; V1095-V1119 HydrophobicContact CG2-CG1 4.46Å |
| 1096 | L | 82.4 | Confident | 56.5 | Low | 2 Ų | 2 | 89.4 Ų | 89.4 | 1% | 0.01 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.2 | -174 | -55.7 | 170.9 | 0 | 0 | 0 | 110.5 | A851 I890 L892 L1082 C1094 L1117 T1118 P1120 | A851-L1096 HydrophobicContact CB-CD1 3.64Å; I890-L1096 HydrophobicContact CG2-CB 4.05Å; I890-L1096 HydrophobicContact CG2-CD1 4.02Å; I890-L1096 HydrophobicContact CG2-CD2 4.46Å; I890-L1096 HydrophobicContact CG2-CG 4.41Å; L892-L1096 HydrophobicContact CD2-CD2 3.85Å; L1082-L1096 HydrophobicContact CD1-CD2 4.08Å; C1094-L1096 PolarHBondContact O-N 3.19Å; L1096-L1117 WeakPolarHBondContact O-CA 3.47Å; L1096-T1118 HydrophobicContact CB-CG2 3.75Å; L1096-T1118 WeakPolarHBondContact CB-O 3.35Å; L1096-T1118 HydrophobicContact CD1-CG2 4.16Å; L1096-T1118 PolarHBondContact N-O 3.22Å; L1096-T1118 PolarHBondContact O-N 3.41Å; L1096-P1120 HydrophobicContact CD1-CB 4.41Å |
| 1097 | Q | 79.2 | Confident | 55.2 | Low | 109 Ų | 109 | 87.7 Ų | 87.7 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 148.1 | 176.9 | -68.8 | -178.4 | -3.5 | 0 | 0 | 111.4 | I890 Q891 N1116 L1117 | I890-Q1097 CarbonylContact C-O 3.59Å; I890-Q1097 WeakPolarHBondContact CA-O 3.41Å; Q891-Q1097 HydrophobicContact CB-CB 4.29Å; Q891-Q1097 PolarHBondContact N-O 2.83Å; Q891-Q1097 PolarHBondContact O-N 3.12Å; Q1097-N1116 CarbonylContact C-O 3.54Å; Q1097-N1116 WeakPolarHBondContact CA-O 3.02Å; Q1097-L1117 HydrophobicContact CG-CD2 3.87Å |
| 1098 | I | 76.9 | Confident | 54.1 | Low | 18 Ų | 18 | 83.6 Ų | 83.6 | 9% | 0.092 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.3 | 179.5 | -49.9 | 162 | 0 | 0 | 0 | 109.1 | L885 S1100 N1116 T1118 | L885-I1098 HydrophobicContact CD1-CD1 3.42Å; L885-I1098 VanDerWaalsContact CD1-CD1 3.42Å; L885-I1098 HydrophobicContact CD1-CG1 3.95Å; I1098-S1100 PolarHBondContact O-N 2.95Å; I1098-N1116 HydrophobicContact CB-CB 4.44Å; I1098-N1116 PolarHBondContact N-O 2.94Å; I1098-T1118 HydrophobicContact CG1-CG2 4.37Å |
| 1099 | R | 73.3 | Confident | 53.3 | Low | 143 Ų | 143 | 87.7 Ų | 87.7 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | trans | -72.4 | 108.8 | 172.1 | -73.8 | 177.5 | 172 | 168.8 | 0.8 | 111.6 | S889 Q891 S1101 | S889-R1099 PolarHBondContact O-N 3.15Å; Q891-R1099 HydrophobicContact CG-CG 3.9Å; R1099-S1101 PolarHBondContact O-N 2.7Å | ||
| 1100 | S | 56.2 | Low | 52.6 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | trans | -66.1 | 123 | 161.8 | 148.7 | 0 | 0 | 0 | 0 | 110.7 | I1098 S1102 | I1098-S1100 PolarHBondContact O-N 2.95Å; S1100-S1102 VanDerWaalsContact C-N 3.33Å; S1100-S1102 PolarHBondContact OG-N 3.05Å; S1100-S1102 PolarHBondContact OG-OG 2.82Å | ||
| 1101 | S | 49 | Very low | 52.2 | Low | 122 Ų | 122 | 92.1 Ų | 92.1 | 85% | 0.853 | 49% | 0.493 | S | S | * | . | trans | -85 | -2.4 | 171.2 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | R1099 K1103 | R1099-S1101 PolarHBondContact O-N 2.7Å; S1101-K1103 PolarHBondContact O-N 2.82Å | ||
| 1102 | S | 45.3 | Very low | 51.4 | Low | 96 Ų | 96 | 97.9 Ų | 97.9 | 67% | 0.671 | 52% | 0.518 | S | S | * | . | trans | -72.5 | 116.3 | -178.7 | 3.4 | 0 | 0 | 0 | 0 | 112.4 | S1100 | S1100-S1102 VanDerWaalsContact C-N 3.33Å; S1100-S1102 PolarHBondContact OG-N 3.05Å; S1100-S1102 PolarHBondContact OG-OG 2.82Å | ||
| 1103 | K | 35.9 | Very low | 50.7 | Low | 191 Ų | 191 | 104 Ų | 104 | 83% | 0.83 | 54% | 0.54 | S | S | * | . | trans | -71.8 | 136.5 | 171 | -67.7 | 176.6 | 177 | 177.3 | 0 | 111.4 | S1101 | S1101-K1103 PolarHBondContact O-N 2.82Š| ||
| 1104 | Q | 30.9 | Very low | 49.7 | Very low | 169 Ų | 169 | 106.2 Ų | 106.2 | 79% | 0.79 | 55% | 0.545 | S | S | * | . | trans | 41.6 | 96.9 | 150.7 | -65.9 | -179.3 | -50.1 | 0 | 0 | 119 | ||||
| 1105 | V | 35.6 | Very low | 48.8 | Very low | 110 Ų | 110 | 112.1 Ų | 112.1 | 67% | 0.667 | 57% | 0.573 | S | S | * | * | trans | -141.6 | 107.8 | 134.5 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | S1107 | V1105-S1107 VanDerWaalsContact C-N 3.26Å; V1105-S1107 WeakPolarHBondContact CG1-OG 3.4Å; V1105-S1107 PolarHBondContact O-N 2.9Å | ||
| 1106 | E | 34.1 | Very low | 48.3 | Very low | 167 Ų | 167 | 113.8 Ų | 113.8 | 78% | 0.78 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -3.3 | -168.4 | -72.9 | 179.1 | 139.2 | 0 | 0 | 115.3 | ||
| 1107 | S | 32.3 | Very low | 48 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 1.3 | -169.1 | 56 | 0 | 0 | 0 | 0 | 116.9 | V1105 | V1105-S1107 VanDerWaalsContact C-N 3.26Å; V1105-S1107 WeakPolarHBondContact CG1-OG 3.4Å; V1105-S1107 PolarHBondContact O-N 2.9Å |
| 1108 | S | 31.1 | Very low | 48.2 | Very low | 64 Ų | 64 | 112 Ų | 112 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | trans | -131.3 | 29.4 | -174.2 | 52.5 | 0 | 0 | 0 | 0 | 115.1 | K1110 | S1108-K1110 PolarHBondContact O-N 3.06Š| ||
| 1109 | L | 31.7 | Very low | 48.6 | Very low | 135 Ų | 135 | 113.3 Ų | 113.3 | 71% | 0.707 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -2.8 | -169.1 | -78.1 | 166.3 | 0 | 0 | 0 | 117.9 | ||
| 1110 | K | 35.3 | Very low | 49.3 | Very low | 193 Ų | 193 | 106.7 Ų | 106.7 | 84% | 0.839 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -49.1 | -178.2 | -75.3 | -168.8 | 176 | -175.5 | 0 | 114.8 | S1108 | S1108-K1110 PolarHBondContact O-N 3.06Š|
| 1111 | L | 36.8 | Very low | 50.9 | Low | 155 Ų | 155 | 105.2 Ų | 105.2 | 81% | 0.812 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -69.4 | -43.1 | -177.2 | -96.1 | 78.4 | 0 | 0 | 0 | 113.1 | K1113 | L1111-K1113 PolarHBondContact O-N 2.99Š|
| 1112 | K | 35.6 | Very low | 52.9 | Low | 123 Ų | 123 | 99.6 Ų | 99.6 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -71.8 | 7 | -170.5 | -63.8 | -156.5 | 168.2 | -158.6 | 0 | 116.6 | E1115 N1116 | K1112-E1115 WeakPolarHBondContact CG-OE2 3.14Å; K1112-N1116 PolarHBondContact O-ND2 3.32Å |
| 1113 | K | 43.3 | Very low | 54.9 | Low | 163 Ų | 163 | 96.3 Ų | 96.3 | 71% | 0.709 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -74.3 | -27.9 | 176.5 | -92.5 | -170.9 | 173.5 | -176.7 | 0 | 113.4 | L1111 | L1111-K1113 PolarHBondContact O-N 2.99Š|
| 1114 | K | 48.4 | Very low | 57.4 | Low | 80 Ų | 80 | 87.4 Ų | 87.4 | 35% | 0.348 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -84.8 | -30.7 | -178.4 | -68.6 | -164.8 | 178.2 | -172 | 0 | 114.4 | E593 S594 V595 N1116 L1117 | E593-K1114 PolarHBondContact O-NZ 3.2Å; S594-K1114 PolarHBondContact O-NZ 3.31Å; V595-K1114 PolarHBondContact O-NZ 3.08Å; K1114-N1116 PolarHBondContact O-N 2.91Å; K1114-L1117 PolarHBondContact O-N 2.82Å; K1114-L1117 VanDerWaalsContact O-N 3.11Å |
| 1115 | E | 52 | Low | 59.9 | Low | 126 Ų | 126 | 84.5 Ų | 84.5 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -18.6 | 173.6 | -62.6 | -176.5 | 135.4 | 0 | 0 | 113.3 | K1112 | K1112-E1115 WeakPolarHBondContact CG-OE2 3.14Š|
| 1116 | N | 69 | Low | 62 | Low | 52 Ų | 52 | 80.5 Ų | 80.5 | 28% | 0.278 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 20.5 | -179.2 | -66.2 | -48.3 | 0 | 0 | 0 | 114 | Q1097 I1098 K1112 K1114 | Q1097-N1116 CarbonylContact C-O 3.54Å; Q1097-N1116 WeakPolarHBondContact CA-O 3.02Å; I1098-N1116 HydrophobicContact CB-CB 4.44Å; I1098-N1116 PolarHBondContact N-O 2.94Å; K1112-N1116 PolarHBondContact O-ND2 3.32Å; K1114-N1116 PolarHBondContact O-N 2.91Å |
| 1117 | L | 76.9 | Confident | 63.9 | Low | 46 Ų | 46 | 81.9 Ų | 81.9 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 143 | 177.7 | -61.6 | 178.8 | 0 | 0 | 0 | 111.8 | T596 V1095 L1096 Q1097 K1114 | T596-L1117 HydrophobicContact CG2-CD1 4.28Å; V1095-L1117 HydrophobicContact CG1-CB 4.3Å; V1095-L1117 HydrophobicContact CG1-CD2 4.2Å; L1096-L1117 WeakPolarHBondContact O-CA 3.47Å; Q1097-L1117 HydrophobicContact CG-CD2 3.87Å; K1114-L1117 PolarHBondContact O-N 2.82Å; K1114-L1117 VanDerWaalsContact O-N 3.11Å |
| 1118 | T | 81.9 | Confident | 66 | Low | 26 Ų | 26 | 79.4 Ų | 79.4 | 16% | 0.16 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.1 | 170.7 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | L885 L1096 I1098 | L885-T1118 HydrophobicContact CD1-CG2 3.91Å; L885-T1118 HydrophobicContact CD2-CG2 4.37Å; L1096-T1118 HydrophobicContact CB-CG2 3.75Å; L1096-T1118 WeakPolarHBondContact CB-O 3.35Å; L1096-T1118 HydrophobicContact CD1-CG2 4.16Å; L1096-T1118 PolarHBondContact N-O 3.22Å; L1096-T1118 PolarHBondContact O-N 3.41Å; I1098-T1118 HydrophobicContact CG1-CG2 4.37Å |
| 1119 | V | 85.7 | Confident | 68.3 | Low | 47 Ų | 47 | 78.2 Ų | 78.2 | 29% | 0.285 | 37% | 0.366 | S | S | . | . | trans | -113.1 | 142.8 | -176.2 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | P597 V1095 | P597-V1119 HydrophobicContact CB-CG1 3.72Å; V1095-V1119 HydrophobicContact CG2-CG1 4.46Å | ||
| 1120 | P | 89.1 | Confident | 71 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | trans | -73.9 | 164 | 172.4 | 32.9 | -34.6 | 0 | 0 | 0 | 110.8 | A599 V849 V850 C1094 L1096 | A599-P1120 WeakPolarHBondContact CB-O 3.23Å; V849-P1120 HydrophobicContact CG1-CB 3.58Å; V849-P1120 HydrophobicContact CG1-CG 3.66Å; V850-P1120 CarbonylContact O-C 3.47Å; V850-P1120 VanDerWaalsContact O-CA 3.24Å; V850-P1120 WeakPolarHBondContact O-CA 3.17Å; V850-P1120 WeakPolarHBondContact O-CB 3.34Å; C1094-P1120 HydrophobicContact CB-CG 3.89Å; C1094-P1120 WeakPolarHBondContact O-CD 3.39Å; C1094-P1120 VanDerWaalsContact SG-CG 3.56Å; L1096-P1120 HydrophobicContact CD1-CB 4.41Å | ||
| 1121 | R | 89 | Confident | 73.5 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 146.9 | 160.8 | -68.8 | -168.1 | 177.6 | -170.4 | 4.1 | 110.1 | P603 V850 E852 E907 F1123 | P603-R1121 VanDerWaalsContact CB-NH1 3.32Å; V850-R1121 HydrophobicContact CG2-CB 3.99Å; V850-R1121 PolarHBondContact N-O 3.04Å; V850-R1121 PolarHBondContact O-N 3.07Å; E852-R1121 VanDerWaalsContact CD-NE 3.33Å; E852-R1121 IonicContact OE1-CZ 2.93Å; E852-R1121 VanDerWaalsContact OE1-CZ 3.29Å; E852-R1121 IonicContact OE1-NE 3.13Å; E852-R1121 PolarHBondContact OE1-NE 2.85Å; E852-R1121 VanDerWaalsContact OE1-NE 3.14Å; E852-R1121 IonicContact OE1-NH2 2.66Å; E852-R1121 PolarHBondContact OE1-NH2 2.97Å; E852-R1121 VanDerWaalsContact OE1-NH2 3.12Å; E852-R1121 VanDerWaalsContact OE2-CD 3.23Å; E852-R1121 WeakPolarHBondContact OE2-CD 3.34Å; E852-R1121 IonicContact OE2-CZ 2.67Å; E852-R1121 IonicContact OE2-NE 2.68Å; E852-R1121 PolarHBondContact OE2-NE 2.89Å; E852-R1121 IonicContact OE2-NH1 3.98Å; E852-R1121 IonicContact OE2-NH2 2.81Å; E907-R1121 IonicContact OE1-NH1 3.04Å; E907-R1121 IonicContact OE2-CZ 2.79Å; E907-R1121 VanDerWaalsContact OE2-CZ 3.28Å; E907-R1121 IonicContact OE2-NH1 3.72Å; E907-R1121 PolarHBondContact OE2-NH1 3.06Å; E907-R1121 IonicContact OE2-NH2 3.78Å; E907-R1121 PolarHBondContact OE2-NH2 3.27Å; R1121-F1123 HydrophobicContact CB-CD2 4.49Å; R1121-F1123 HydrophobicContact CB-CE2 3.65Å; R1121-F1123 HydrophobicContact CB-CZ 4.08Å |
| 1122 | I | 90.5 | Very high | 76 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.6 | -177.4 | -48.6 | 175.9 | 0 | 0 | 0 | 108.3 | A599 C625 M627 L847 Q848 V849 | A599-I1122 HydrophobicContact CB-CD1 3.72Å; A599-I1122 HydrophobicContact CB-CG1 4.13Å; C625-I1122 HydrophobicContact CB-CB 4.31Å; C625-I1122 HydrophobicContact CB-CG2 3.91Å; C625-I1122 PolarHBondContact N-O 3.14Å; C625-I1122 WeakPolarHBondContact O-CB 3.45Å; M627-I1122 HydrophobicContact CB-CD1 3.51Å; M627-I1122 HydrophobicContact CE-CD1 3.92Å; L847-I1122 HydrophobicContact CD1-CG2 3.45Å; L847-I1122 VanDerWaalsContact CD1-CG2 3.45Å; L847-I1122 HydrophobicContact CD2-CG2 4.47Å; L847-I1122 HydrophobicContact CG-CG2 3.92Å; Q848-I1122 WeakPolarHBondContact O-CA 3.44Å; V849-I1122 HydrophobicContact CG1-CG1 4.45Å; V849-I1122 HydrophobicContact CG2-CG1 4.42Å; V849-I1122 HydrophobicContact CG2-CG2 4.31Å |
| 1123 | F | 88.5 | Confident | 78.6 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.6 | 179.1 | -59.2 | -86.3 | 0 | 0 | 0 | 110 | P603 D622 K623 Q848 V850 R1121 | P603-F1123 HydrophobicContact CG-CE1 3.94Å; P603-F1123 HydrophobicContact CG-CZ 4.15Å; D622-F1123 HydrophobicContact CB-CB 4.43Å; D622-F1123 HydrophobicContact CB-CD1 4.22Å; D622-F1123 WeakPolarHBondContact O-CD1 3.21Å; K623-F1123 CarbonylContact O-C 3.38Å; K623-F1123 VanDerWaalsContact O-CA 3.32Å; K623-F1123 WeakPolarHBondContact O-CA 3.42Å; Q848-F1123 PolarHBondContact N-O 2.79Å; Q848-F1123 PolarHBondContact O-N 2.82Å; V850-F1123 HydrophobicContact CG2-CD2 4.31Å; V850-F1123 HydrophobicContact CG2-CE2 3.91Å; R1121-F1123 HydrophobicContact CB-CD2 4.49Å; R1121-F1123 HydrophobicContact CB-CE2 3.65Å; R1121-F1123 HydrophobicContact CB-CZ 4.08Å |
| 1124 | M | 87.1 | Confident | 81 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 98.9 | 166.9 | -75.7 | -65.8 | -84.6 | 0 | 0 | 107.7 | A563 K623 C625 W838 H842 A845 L847 F1126 | A563-M1124 HydrophobicContact CB-CG 4.15Å; K623-M1124 HydrophobicContact CB-CB 4.4Å; K623-M1124 PolarHBondContact N-O 2.78Å; K623-M1124 VanDerWaalsContact N-O 3.14Å; K623-M1124 PolarHBondContact O-N 2.86Å; C625-M1124 HydrophobicContact CB-CG 3.92Å; W838-M1124 HydrophobicContact CZ2-CE 4.43Å; H842-M1124 HydrophobicContact CB-CE 3.48Å; H842-M1124 VanDerWaalsContact CB-CE 3.48Å; H842-M1124 VanDerWaalsContact CD2-CE 3.46Å; H842-M1124 WeakPolarHBondContact CD2-CE 3.46Å; H842-M1124 VanDerWaalsContact CG-CE 3.46Å; A845-M1124 HydrophobicContact CB-CB 4.48Å; A845-M1124 HydrophobicContact CB-CE 3.67Å; L847-M1124 HydrophobicContact CB-SD 4.06Å; L847-M1124 HydrophobicContact CD1-CG 4.2Å; L847-M1124 HydrophobicContact CD1-SD 3.48Å; L847-M1124 WeakPolarHBondContact CD1-SD 3.26Å; L847-M1124 HydrophobicContact CG-SD 4.41Å; M1124-F1126 HydrophobicContact CB-CE2 4.14Å; M1124-F1126 WeakPolarHBondContact O-CD2 3.48Å; M1124-F1126 PolarHBondContact O-N 2.82Å |
| 1125 | R | 84.1 | Confident | 83.1 | Confident | 109 Ų | 109 | 42.7 Ų | 42.7 | 41% | 0.411 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 107.4 | -179.6 | -174.4 | 177.3 | -164 | 101.1 | 6.3 | 109.9 | D622 A845 K846 | D622-R1125 WeakPolarHBondContact OD1-CB 3.3Å; D622-R1125 WeakPolarHBondContact OD1-CD 3.48Å; D622-R1125 WeakPolarHBondContact OD1-CG 3.37Å; D622-R1125 IonicContact OD1-CZ 3.83Å; D622-R1125 IonicContact OD1-NE 3.76Å; D622-R1125 IonicContact OD1-NH1 2.73Å; D622-R1125 PolarHBondContact OD1-NH1 2.97Å; D622-R1125 IonicContact OD2-CZ 3.2Å; D622-R1125 IonicContact OD2-NH1 2.78Å; D622-R1125 PolarHBondContact OD2-NH1 3.04Å; A845-R1125 CarbonylContact C-O 3.54Å; A845-R1125 WeakPolarHBondContact CA-O 3.41Å; K846-R1125 PolarHBondContact N-O 3.06Å; K846-R1125 PolarHBondContact O-N 3.39Å |
| 1126 | F | 80.8 | Confident | 85.1 | Confident | 25 Ų | 25 | 36.7 Ų | 36.7 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 140.4 | 175.4 | -69.9 | -100.1 | 0 | 0 | 0 | 110.5 | L565 D621 K623 A845 M1124 C1191 | L565-F1126 HydrophobicContact CD2-CE2 4.29Å; L565-F1126 HydrophobicContact CD2-CZ 3.94Å; D621-F1126 PolarHBondContact O-N 3.25Å; K623-F1126 HydrophobicContact CB-CE2 4.14Å; K623-F1126 HydrophobicContact CG-CD2 3.8Å; K623-F1126 HydrophobicContact CG-CE2 3.56Å; A845-F1126 HydrophobicContact CB-CD1 3.87Å; A845-F1126 HydrophobicContact CB-CD2 4.14Å; A845-F1126 HydrophobicContact CB-CE1 3.84Å; A845-F1126 HydrophobicContact CB-CE2 4.09Å; A845-F1126 HydrophobicContact CB-CG 4.02Å; A845-F1126 HydrophobicContact CB-CZ 3.95Å; M1124-F1126 HydrophobicContact CB-CE2 4.14Å; M1124-F1126 WeakPolarHBondContact O-CD2 3.48Å; M1124-F1126 PolarHBondContact O-N 2.82Å; F1126-C1191 HydrophobicContact CB-CB 3.68Å; F1126-C1191 HydrophobicContact CD1-CB 3.74Å; F1126-C1191 HydrophobicContact CD2-CB 3.85Å; F1126-C1191 HydrophobicContact CE1-CB 4.36Å; F1126-C1191 HydrophobicContact CE2-CB 4.48Å; F1126-C1191 HydrophobicContact CG-CB 3.46Å; F1126-C1191 VanDerWaalsContact CG-CB 3.46Å |
| 1127 | R | 72.5 | Confident | 86.2 | Confident | 196 Ų | 196 | 34.4 Ų | 34.4 | 74% | 0.74 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -82.7 | -23 | 175.8 | -63.4 | -179.8 | -167.7 | 176.3 | 9.3 | 112.8 | E844 | E844-R1127 WeakPolarHBondContact O-CG 3.45Å; E844-R1127 PolarHBondContact O-N 3.02Å |
| 1128 | T | 77 | Confident | 87 | Confident | 56 Ų | 56 | 32.2 Ų | 32.2 | 34% | 0.344 | 15% | 0.149 | S | C | . | . | trans | -130.9 | 135.9 | -169.6 | 31.2 | 0 | 0 | 0 | 0 | 108.9 | E844 | E844-T1128 PolarHBondContact OE2-OG1 3.12Š| ||
| 1129 | S | 79.9 | Confident | 87.5 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 28% | 0.28 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 133.9 | 175.1 | -167.1 | 0 | 0 | 0 | 0 | 107 | E1189 | S1129-E1189 WeakPolarHBondContact CB-OE1 3.47Å; S1129-E1189 VanDerWaalsContact OG-CD 3.25Å; S1129-E1189 WeakPolarHBondContact OG-CG 3.34Å; S1129-E1189 PolarHBondContact OG-OE1 2.81Å |
| 1130 | H | 87.7 | Confident | 87.7 | Confident | 22 Ų | 22 | 30.1 Ų | 30.1 | 10% | 0.102 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139.2 | -167.8 | -69.5 | -77.9 | 0 | 0 | 0 | 110.1 | W1132 M1190 G1192 P1194 L1264 D1266 | H1130-W1132 VanDerWaalsContact O-CD1 3.29Å; H1130-M1190 PolarHBondContact N-O 3.13Å; H1130-M1190 PolarHBondContact O-N 3.42Å; H1130-G1192 PolarHBondContact CD2-O 2.94Å; H1130-P1194 HydrophobicContact CB-CG 4.45Å; H1130-L1264 HydrophobicContact CB-CD1 3.87Å; H1130-D1266 WeakPolarHBondContact CA-OD1 3.33Å; H1130-D1266 IonicContact CE1-OD2 3.12Å; H1130-D1266 IonicContact CG-OD1 2.76Å; H1130-D1266 IonicContact CG-OD2 3.18Å; H1130-D1266 IonicContact ND1-OD1 3.22Å; H1130-D1266 PolarHBondContact ND1-OD1 2.91Å; H1130-D1266 IonicContact ND1-OD2 3.14Å; H1130-D1266 PolarHBondContact ND1-OD2 2.87Å |
| 1131 | I | 87.3 | Confident | 87.7 | Confident | 60 Ų | 60 | 29.9 Ų | 29.9 | 31% | 0.308 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.3 | -175.9 | -57.9 | -179 | 0 | 0 | 0 | 109.2 | H1187 L1265 D1266 | I1131-H1187 HydrophobicContact CG2-CB 4.48Å; I1131-L1265 HydrophobicContact CG2-CB 4.46Å; I1131-L1265 HydrophobicContact CG2-CD1 4.48Å; I1131-L1265 WeakPolarHBondContact O-CB 3.23Å; I1131-L1265 PolarHBondContact O-N 2.85Å; I1131-D1266 PolarHBondContact N-OD1 2.99Å |
| 1132 | W | 90.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 162.1 | -176.6 | -61.6 | 82.5 | 0 | 0 | 0 | 112.9 | H1130 H1187 I1188 M1190 P1194 I1197 V1229 L1231 L1262 I1263 L1264 | H1130-W1132 VanDerWaalsContact O-CD1 3.29Å; W1132-H1187 PolarHBondContact O-N 3.02Å; W1132-I1188 HydrophobicContact CB-CB 4.24Å; W1132-I1188 WeakPolarHBondContact CB-O 3.39Å; W1132-I1188 PolarHBondContact N-O 3.36Å; W1132-I1188 PolarHBondContact O-N 3.21Å; W1132-M1190 HydrophobicContact CB-CE 3.89Å; W1132-M1190 VanDerWaalsContact CD1-CE 3.44Å; W1132-M1190 HydrophobicContact CD2-CE 3.9Å; W1132-M1190 HydrophobicContact CG-CE 3.47Å; W1132-M1190 VanDerWaalsContact CG-CE 3.47Å; W1132-P1194 HydrophobicContact CH2-CB 3.96Å; W1132-P1194 HydrophobicContact CZ2-CB 3.73Å; W1132-P1194 HydrophobicContact CZ2-CG 4.28Å; W1132-I1197 HydrophobicContact CH2-CB 4.1Å; W1132-I1197 HydrophobicContact CH2-CG2 3.75Å; W1132-I1197 HydrophobicContact CZ2-CB 3.92Å; W1132-I1197 HydrophobicContact CZ2-CD1 3.62Å; W1132-I1197 HydrophobicContact CZ2-CG1 4.35Å; W1132-I1197 HydrophobicContact CZ2-CG2 3.78Å; W1132-I1197 HydrophobicContact CZ3-CG2 4.32Å; W1132-V1229 HydrophobicContact CH2-CG1 3.91Å; W1132-V1229 HydrophobicContact CZ3-CG1 3.65Å; W1132-L1231 HydrophobicContact CH2-CD2 3.73Å; W1132-L1231 HydrophobicContact CZ3-CD2 4.31Å; W1132-L1262 HydrophobicContact CB-CD1 3.98Å; W1132-L1262 HydrophobicContact CD2-CG 4.41Å; W1132-L1262 HydrophobicContact CE3-CD1 4.24Å; W1132-L1262 HydrophobicContact CE3-CD2 4.22Å; W1132-L1262 HydrophobicContact CE3-CG 3.72Å; W1132-L1262 HydrophobicContact CZ3-CD2 4.48Å; W1132-L1262 HydrophobicContact CZ3-CG 4.22Å; W1132-I1263 CarbonylContact C-O 3.54Å; W1132-I1263 WeakPolarHBondContact CA-O 3.4Å; W1132-L1264 HydrophobicContact CD2-CB 4.45Å; W1132-L1264 HydrophobicContact CD2-CD1 3.97Å; W1132-L1264 HydrophobicContact CE3-CB 3.97Å; W1132-L1264 HydrophobicContact CE3-CD1 4.32Å; W1132-L1264 HydrophobicContact CH2-CB 4.16Å; W1132-L1264 HydrophobicContact CH2-CD1 4.24Å; W1132-L1264 HydrophobicContact CZ2-CD1 3.83Å; W1132-L1264 HydrophobicContact CZ3-CB 3.81Å; W1132-L1264 HydrophobicContact CZ3-CD1 4.45Å |
| 1133 | H | 89.9 | Confident | 86.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 111 | -178.1 | -176.1 | 105.8 | 0 | 0 | 0 | 109 | R1135 I1184 F1185 E1186 I1263 L1265 | H1133-R1135 VanDerWaalsContact NE2-CD 3.33Å; H1133-R1135 WeakPolarHBondContact NE2-CD 3.45Å; H1133-R1135 WeakPolarHBondContact NE2-CG 3.19Å; H1133-R1135 PolarHBondContact NE2-NE 3.29Å; H1133-I1184 WeakPolarHBondContact CE1-CG2 3.27Å; H1133-I1184 WeakPolarHBondContact NE2-CG2 3.2Å; H1133-F1185 CarbonylContact C-O 3.59Å; H1133-F1185 WeakPolarHBondContact CA-O 3.4Å; H1133-E1186 WeakPolarHBondContact CE1-CG 3.34Å; H1133-E1186 IonicContact CE1-OE1 3.29Å; H1133-I1263 HydrophobicContact CB-CB 4.46Å; H1133-I1263 PolarHBondContact N-O 3Å; H1133-I1263 PolarHBondContact O-N 2.96Å; H1133-L1265 HydrophobicContact CB-CD1 3.89Å; H1133-L1265 HydrophobicContact CB-CD2 4.02Å; H1133-L1265 HydrophobicContact CB-CG 3.91Å |
| 1134 | L | 92.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.9 | 177.1 | 177.8 | 81.4 | 0 | 0 | 0 | 109.6 | F1161 F1185 I1188 V1204 P1227 E1261 L1262 | L1134-F1161 HydrophobicContact CB-CD1 4.44Å; L1134-F1161 HydrophobicContact CD2-CB 3.71Å; L1134-F1161 HydrophobicContact CD2-CD1 3.88Å; L1134-F1161 HydrophobicContact CD2-CD2 4Å; L1134-F1161 HydrophobicContact CD2-CE1 4.47Å; L1134-F1161 HydrophobicContact CD2-CG 3.61Å; L1134-F1185 HydrophobicContact CB-CB 4.12Å; L1134-F1185 HydrophobicContact CB-CD2 4.37Å; L1134-F1185 HydrophobicContact CD2-CD2 3.87Å; L1134-F1185 HydrophobicContact CD2-CE2 4.23Å; L1134-F1185 HydrophobicContact CD2-CG 4.36Å; L1134-F1185 HydrophobicContact CG-CD2 4.32Å; L1134-F1185 PolarHBondContact N-O 3.4Å; L1134-F1185 PolarHBondContact O-N 3.08Å; L1134-I1188 HydrophobicContact CB-CD1 3.71Å; L1134-V1204 HydrophobicContact CD1-CG2 4.07Å; L1134-V1204 HydrophobicContact CD2-CG1 4.44Å; L1134-V1204 HydrophobicContact CD2-CG2 3.87Å; L1134-P1227 HydrophobicContact CD1-CB 3.89Å; L1134-P1227 HydrophobicContact CD1-CG 4.46Å; L1134-E1261 CarbonylContact C-O 3.45Å; L1134-E1261 WeakPolarHBondContact CA-O 3.19Å; L1134-E1261 WeakPolarHBondContact CD1-O 3.25Å; L1134-L1262 HydrophobicContact CB-CD1 3.97Å; L1134-L1262 HydrophobicContact CD1-CB 4.08Å; L1134-L1262 HydrophobicContact CD1-CD1 4.26Å |
| 1135 | R | 92.3 | Very high | 86.5 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.7 | 167.9 | -64.8 | 172.2 | 174.7 | -152.8 | -8 | 108.9 | H1133 Y1137 T1182 I1184 F1260 E1261 P1271 P1272 | H1133-R1135 VanDerWaalsContact NE2-CD 3.33Å; H1133-R1135 WeakPolarHBondContact NE2-CD 3.45Å; H1133-R1135 WeakPolarHBondContact NE2-CG 3.19Å; H1133-R1135 PolarHBondContact NE2-NE 3.29Å; R1135-Y1137 HydrophobicContact CB-CE1 4.34Å; R1135-Y1137 HydrophobicContact CB-CE2 4.08Å; R1135-Y1137 VanDerWaalsContact CD-OH 3.23Å; R1135-Y1137 WeakPolarHBondContact CD-OH 3.48Å; R1135-T1182 HydrophobicContact CB-CG2 4.13Å; R1135-I1184 HydrophobicContact CG-CG2 4.45Å; R1135-F1260 WeakPolarHBondContact O-CA 3.31Å; R1135-E1261 HydrophobicContact CB-CG 4Å; R1135-E1261 WeakPolarHBondContact CD-OE1 3.1Å; R1135-E1261 PolarHBondContact N-O 2.66Å; R1135-E1261 PolarHBondContact O-N 3.04Å; R1135-P1271 PolarHBondContact NH2-O 3.5Å; R1135-P1272 PolarHBondContact NH2-O 2.88Å |
| 1136 | A | 94.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 109.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I1138 T1182 L1183 F1185 F1260 | A1136-I1138 HydrophobicContact CB-CD1 4.3Å; A1136-I1138 HydrophobicContact CB-CG1 4.48Å; A1136-I1138 PolarHBondContact O-N 3.35Å; A1136-T1182 CarbonylContact O-C 3.57Å; A1136-T1182 WeakPolarHBondContact O-CA 3.2Å; A1136-L1183 HydrophobicContact CB-CB 4.26Å; A1136-L1183 PolarHBondContact N-O 3.11Å; A1136-L1183 PolarHBondContact O-N 2.67Å; A1136-F1185 HydrophobicContact CB-CE2 4.45Å; A1136-F1260 HydrophobicContact CB-CD1 3.51Å; A1136-F1260 HydrophobicContact CB-CE1 3.42Å; A1136-F1260 VanDerWaalsContact CB-CE1 3.42Å |
| 1137 | Y | 93.5 | Very high | 86.1 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 94.5 | 178.1 | -58.4 | -67.9 | 0 | 0 | 0 | 108.7 | R1135 T1182 A1258 A1259 E1261 V1283 P1284 I1287 | R1135-Y1137 HydrophobicContact CB-CE1 4.34Å; R1135-Y1137 HydrophobicContact CB-CE2 4.08Å; R1135-Y1137 VanDerWaalsContact CD-OH 3.23Å; R1135-Y1137 WeakPolarHBondContact CD-OH 3.48Å; Y1137-T1182 HydrophobicContact CD1-CG2 3.63Å; Y1137-T1182 VanDerWaalsContact CD1-OG1 3.28Å; Y1137-T1182 WeakPolarHBondContact CD1-OG1 3.45Å; Y1137-T1182 HydrophobicContact CE1-CG2 3.51Å; Y1137-A1258 CarbonylContact O-C 3.47Å; Y1137-A1258 WeakPolarHBondContact O-CA 3.07Å; Y1137-A1258 WeakPolarHBondContact O-CB 3.07Å; Y1137-A1259 WeakPolarHBondContact CB-O 3.16Å; Y1137-A1259 HydrophobicContact CD2-CB 4.15Å; Y1137-A1259 PolarHBondContact N-O 2.99Å; Y1137-A1259 PolarHBondContact O-N 3.46Å; Y1137-E1261 HydrophobicContact CE2-CG 3.96Å; Y1137-E1261 PolarHBondContact OH-OE1 2.82Å; Y1137-V1283 HydrophobicContact CD1-CG1 4.2Å; Y1137-P1284 HydrophobicContact CD1-CG 4.46Å; Y1137-P1284 HydrophobicContact CE1-CG 3.71Å; Y1137-I1287 HydrophobicContact CD1-CD1 4.23Å; Y1137-I1287 HydrophobicContact CD2-CD1 3.9Å; Y1137-I1287 HydrophobicContact CE1-CD1 3.91Å; Y1137-I1287 HydrophobicContact CE2-CD1 3.53Å; Y1137-I1287 HydrophobicContact CG-CD1 4.23Å |
| 1138 | I | 94.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 99.7 | -178.1 | -52.6 | -56.4 | 0 | 0 | 0 | 108.6 | A1136 V1157 T1168 W1179 D1180 E1181 L1183 I1206 I1256 A1258 F1260 | A1136-I1138 HydrophobicContact CB-CD1 4.3Å; A1136-I1138 HydrophobicContact CB-CG1 4.48Å; A1136-I1138 PolarHBondContact O-N 3.35Å; I1138-V1157 HydrophobicContact CG2-CB 4.41Å; I1138-V1157 HydrophobicContact CG2-CG2 4.27Å; I1138-T1168 HydrophobicContact CB-CG2 4.03Å; I1138-T1168 HydrophobicContact CG1-CG2 4.25Å; I1138-T1168 HydrophobicContact CG2-CG2 3.84Å; I1138-W1179 HydrophobicContact CG2-CD2 4.21Å; I1138-W1179 HydrophobicContact CG2-CE3 3.67Å; I1138-W1179 HydrophobicContact CG2-CZ3 4.19Å; I1138-D1180 PolarHBondContact O-N 3.43Å; I1138-E1181 PolarHBondContact N-O 2.79Å; I1138-E1181 PolarHBondContact O-N 2.79Å; I1138-L1183 HydrophobicContact CG1-CD1 4.26Å; I1138-L1183 HydrophobicContact CG1-CG 4.47Å; I1138-I1206 HydrophobicContact CD1-CD1 4.42Å; I1138-I1256 HydrophobicContact CG2-CD1 4.13Å; I1138-A1258 HydrophobicContact CD1-CB 4.07Å; I1138-F1260 HydrophobicContact CD1-CE1 4Å; I1138-F1260 HydrophobicContact CD1-CZ 3.74Å |
| 1139 | F | 91.4 | Very high | 85.7 | Confident | 26 Ų | 26 | 27.7 Ų | 27.7 | 11% | 0.114 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -63.2 | -172 | -167.8 | -105 | 0 | 0 | 0 | 112.4 | W1179 D1180 L1241 L1257 V1283 R1288 P1289 | F1139-W1179 PolarHBondContact O-N 2.85Å; F1139-D1180 HydrophobicContact CD2-CB 4.27Å; F1139-D1180 HydrophobicContact CE2-CB 4.22Å; F1139-D1180 PolarHBondContact O-N 2.88Å; F1139-L1241 HydrophobicContact CB-CD1 3.93Å; F1139-L1241 HydrophobicContact CB-CD2 4.16Å; F1139-L1241 HydrophobicContact CD1-CD1 4.24Å; F1139-L1241 HydrophobicContact CD2-CD1 4.3Å; F1139-L1241 HydrophobicContact CG-CD1 3.89Å; F1139-L1257 WeakPolarHBondContact CB-O 3.35Å; F1139-L1257 HydrophobicContact CD1-CD2 3.95Å; F1139-L1257 PolarHBondContact N-O 3.02Å; F1139-L1257 VanDerWaalsContact N-O 3.12Å; F1139-V1283 HydrophobicContact CD2-CB 4.39Å; F1139-V1283 HydrophobicContact CD2-CG2 4.19Å; F1139-R1288 HydrophobicContact CE2-CG 4.08Å; F1139-P1289 HydrophobicContact CE1-CG 4Å; F1139-P1289 HydrophobicContact CZ-CG 4.15Å |
| 1140 | Q | 89.5 | Confident | 85.1 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 167.6 | -178.9 | 69.3 | -174 | -2.1 | 0 | 0 | 112.2 | P1177 I1178 W1243 L1257 Y1359 | Q1140-P1177 CarbonylContact C-O 3.52Å; Q1140-P1177 WeakPolarHBondContact CA-O 3.45Å; Q1140-P1177 VanDerWaalsContact CB-O 3.26Å; Q1140-P1177 WeakPolarHBondContact CB-O 3.29Å; Q1140-I1178 HydrophobicContact CB-CB 4.28Å; Q1140-I1178 HydrophobicContact CB-CG1 3.89Å; Q1140-I1178 HydrophobicContact CB-CG2 4.37Å; Q1140-W1243 HydrophobicContact CG-CH2 3.76Å; Q1140-W1243 HydrophobicContact CG-CZ2 4.35Å; Q1140-W1243 HydrophobicContact CG-CZ3 4.45Å; Q1140-L1257 HydrophobicContact CG-CB 3.81Å; Q1140-L1257 HydrophobicContact CG-CD2 4Å; Q1140-L1257 HydrophobicContact CG-CG 4.47Å; Q1140-L1257 PolarHBondContact N-O 3.31Å; Q1140-L1257 PolarHBondContact O-N 2.66Å; Q1140-Y1359 PolarHBondContact NE2-O 3.28Å |
| 1141 | A | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 163.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1144 C1176 P1177 W1179 E1255 | A1141-V1144 HydrophobicContact CB-CG2 3.76Å; A1141-C1176 CarbonylContact O-C 3.59Å; A1141-C1176 VanDerWaalsContact O-CA 3.25Å; A1141-C1176 WeakPolarHBondContact O-CA 3.33Å; A1141-P1177 HydrophobicContact CB-CG 3.85Å; A1141-P1177 PolarHBondContact N-O 3.3Å; A1141-W1179 HydrophobicContact CB-CH2 3.91Å; A1141-W1179 HydrophobicContact CB-CZ3 3.8Å; A1141-E1255 CarbonylContact C-O 3.53Å; A1141-E1255 WeakPolarHBondContact CA-O 3.48Å; A1141-E1255 WeakPolarHBondContact CB-O 3.38Å |
| 1142 | R | 83.9 | Confident | 83.6 | Confident | 47 Ų | 47 | 25.2 Ų | 25.2 | 18% | 0.177 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154.2 | 173.6 | 70 | -176.6 | -179.2 | -173.9 | 1.2 | 111.8 | V1144 W1243 G1254 E1255 P1362 | R1142-V1144 PolarHBondContact O-N 2.69Å; R1142-W1243 HydrophobicContact CB-CH2 3.93Å; R1142-W1243 HydrophobicContact CB-CZ3 4.12Å; R1142-W1243 HydrophobicContact CG-CE3 4.22Å; R1142-W1243 HydrophobicContact CG-CH2 3.65Å; R1142-W1243 HydrophobicContact CG-CZ2 4.38Å; R1142-W1243 HydrophobicContact CG-CZ3 3.57Å; R1142-G1254 WeakPolarHBondContact O-CA 3.39Å; R1142-E1255 HydrophobicContact CG-CB 4.18Å; R1142-E1255 IonicContact CZ-OE2 2.78Å; R1142-E1255 PolarHBondContact N-O 3.4Å; R1142-E1255 IonicContact NE-OE2 3.51Å; R1142-E1255 PolarHBondContact NE-OE2 2.75Å; R1142-E1255 IonicContact NH2-OE2 2.66Å; R1142-E1255 PolarHBondContact NH2-OE2 2.7Å; R1142-E1255 PolarHBondContact O-N 2.68Å; R1142-P1362 HydrophobicContact CB-CG 3.91Å |
| 1143 | S | 78.2 | Confident | 83.4 | Confident | 56 Ų | 56 | 25.2 Ų | 25.2 | 39% | 0.392 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 53.6 | 35.4 | 177.8 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | L1175 G1254 T1385 | S1143-L1175 PolarHBondContact N-O 3.42Å; S1143-G1254 WeakPolarHBondContact O-CA 3.38Å; S1143-T1385 WeakPolarHBondContact OG-CG2 3.44Å |
| 1144 | V | 85.6 | Confident | 83.5 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 145.3 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | A1141 R1142 A1146 L1175 P1177 L1208 L1220 | A1141-V1144 HydrophobicContact CB-CG2 3.76Å; R1142-V1144 PolarHBondContact O-N 2.69Å; V1144-A1146 PolarHBondContact O-N 3.05Å; V1144-L1175 HydrophobicContact CB-CB 4.43Å; V1144-L1175 VanDerWaalsContact CB-O 3.31Å; V1144-L1175 WeakPolarHBondContact CB-O 3.46Å; V1144-L1175 WeakPolarHBondContact CG2-O 3.44Å; V1144-L1175 PolarHBondContact N-O 3.01Å; V1144-P1177 HydrophobicContact CG2-CG 4.47Å; V1144-L1208 HydrophobicContact CB-CD2 4.23Å; V1144-L1208 HydrophobicContact CG1-CD2 3.59Å; V1144-L1208 HydrophobicContact CG2-CD2 3.68Å; V1144-L1220 HydrophobicContact CG1-CD1 3.44Å; V1144-L1220 VanDerWaalsContact CG1-CD1 3.44Å |
| 1145 | L | 82.5 | Confident | 83.6 | Confident | 51 Ų | 51 | 26 Ų | 26 | 27% | 0.267 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 126.6 | 173.4 | -62.4 | -178.9 | 0 | 0 | 0 | 110.9 | S1153 L1220 K1248 G1253 | L1145-S1153 PolarHBondContact O-OG 2.87Å; L1145-L1220 HydrophobicContact CB-CD2 4.27Å; L1145-L1220 WeakPolarHBondContact CD1-O 3.36Å; L1145-L1220 WeakPolarHBondContact O-CD2 3.22Å; L1145-K1248 HydrophobicContact CD1-CB 4.39Å; L1145-K1248 HydrophobicContact CD1-CD 3.68Å; L1145-G1253 PolarHBondContact N-O 2.9Å |
| 1146 | A | 76.4 | Confident | 83.8 | Confident | 20 Ų | 20 | 25.5 Ų | 25.5 | 17% | 0.165 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -75 | 141.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1144 L1152 L1175 G1506 | V1144-A1146 PolarHBondContact O-N 3.05Å; A1146-L1152 WeakPolarHBondContact CA-O 3.06Å; A1146-L1175 HydrophobicContact CB-CD1 4Å; A1146-L1175 HydrophobicContact CB-CD2 3.64Å; A1146-L1175 HydrophobicContact CB-CG 4.44Å; A1146-G1506 WeakPolarHBondContact CB-O 3.44Å |
| 1147 | A | 78.9 | Confident | 83.8 | Confident | 20 Ų | 20 | 25.5 Ų | 25.5 | 17% | 0.165 | 14% | 0.139 | C | C | . | . | trans | -131.9 | -27.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1152 S1153 D1210 H1218 L1220 K1507 | A1147-L1152 PolarHBondContact N-O 2.84Å; A1147-L1152 VanDerWaalsContact N-O 3.07Å; A1147-S1153 PolarHBondContact N-OG 3.38Å; A1147-D1210 HydrophobicContact CB-CB 4.05Å; A1147-D1210 WeakPolarHBondContact CB-OD2 3.48Å; A1147-H1218 WeakPolarHBondContact CB-ND1 3.26Å; A1147-L1220 HydrophobicContact CB-CD2 4.03Å; A1147-K1507 WeakPolarHBondContact O-CE 3.23Å | ||
| 1148 | D | 76.7 | Confident | 83.8 | Confident | 43 Ų | 43 | 25.8 Ų | 25.8 | 23% | 0.23 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -74.2 | 160.6 | -171.6 | -166.7 | 13.3 | 0 | 0 | 0 | 112.7 | S1150 G1151 L1152 | D1148-S1150 WeakPolarHBondContact CB-OG 3.05Å; D1148-S1150 VanDerWaalsContact CG-OG 3.28Å; D1148-S1150 PolarHBondContact O-N 3.35Å; D1148-S1150 WeakPolarHBondContact OD2-CB 3.35Å; D1148-S1150 PolarHBondContact OD2-OG 3.36Å; D1148-G1151 PolarHBondContact O-N 3.3Å; D1148-L1152 WeakPolarHBondContact CB-O 3.21Å; D1148-L1152 PolarHBondContact N-O 3.43Å; D1148-L1152 VanDerWaalsContact N-O 3.12Å |
| 1149 | Q | 65.6 | Low | 83.8 | Confident | 165 Ų | 165 | 25.8 Ų | 25.8 | 77% | 0.771 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.2 | 175.8 | -65.1 | -169.5 | 31.9 | 0 | 0 | 113 | G1151 | Q1149-G1151 PolarHBondContact O-N 2.94Š|
| 1150 | S | 66.1 | Low | 83.8 | Confident | 38 Ų | 38 | 24.8 Ų | 24.8 | 27% | 0.266 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.7 | 168 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | D1148 L1152 M1378 | D1148-S1150 WeakPolarHBondContact CB-OG 3.05Å; D1148-S1150 VanDerWaalsContact CG-OG 3.28Å; D1148-S1150 PolarHBondContact O-N 3.35Å; D1148-S1150 WeakPolarHBondContact OD2-CB 3.35Å; D1148-S1150 PolarHBondContact OD2-OG 3.36Å; S1150-L1152 PolarHBondContact OG-N 3.46Å; S1150-M1378 WeakPolarHBondContact O-CE 3.49Å |
| 1151 | G | 66.6 | Low | 84 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 79.1 | 22.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1148 Q1149 G1506 | D1148-G1151 PolarHBondContact O-N 3.3Å; Q1149-G1151 PolarHBondContact O-N 2.94Å; G1151-G1506 CarbonylContact C-O 3.57Å; G1151-G1506 VanDerWaalsContact C-O 3.29Å; G1151-G1506 WeakPolarHBondContact CA-O 3.13Å; G1151-G1506 CarbonylContact O-C 3.44Å; G1151-G1506 WeakPolarHBondContact O-CA 3.36Å; G1151-G1506 VanDerWaalsContact O-O 3.12Å |
| 1152 | L | 78 | Confident | 83.8 | Confident | 30 Ų | 30 | 26.5 Ų | 26.5 | 16% | 0.157 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -123.7 | -155.4 | 172.3 | -61.4 | 167.1 | 0 | 0 | 0 | 107.1 | A1146 A1147 D1148 S1150 Q1173 L1175 M1378 | A1146-L1152 WeakPolarHBondContact CA-O 3.06Å; A1147-L1152 PolarHBondContact N-O 2.84Å; A1147-L1152 VanDerWaalsContact N-O 3.07Å; D1148-L1152 WeakPolarHBondContact CB-O 3.21Å; D1148-L1152 PolarHBondContact N-O 3.43Å; D1148-L1152 VanDerWaalsContact N-O 3.12Å; S1150-L1152 PolarHBondContact OG-N 3.46Å; L1152-Q1173 HydrophobicContact CD1-CB 4Å; L1152-Q1173 WeakPolarHBondContact CD1-O 3.33Å; L1152-L1175 HydrophobicContact CD2-CD1 4.32Å; L1152-L1175 HydrophobicContact CD2-CG 4Å; L1152-M1378 HydrophobicContact CD1-CE 4.46Å; L1152-M1378 HydrophobicContact CD2-CE 4.41Å; L1152-M1378 HydrophobicContact CG-CE 4.22Å |
| 1153 | S | 86 | Confident | 83.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -147.4 | 165.3 | 167.9 | -96.6 | 0 | 0 | 0 | 0 | 109.9 | L1145 A1147 P1155 Q1173 T1174 D1210 | L1145-S1153 PolarHBondContact O-OG 2.87Å; A1147-S1153 PolarHBondContact N-OG 3.38Å; S1153-P1155 WeakPolarHBondContact O-CD 3.47Å; S1153-Q1173 CarbonylContact O-C 3.51Å; S1153-Q1173 WeakPolarHBondContact O-CA 3.27Å; S1153-Q1173 PolarHBondContact O-N 3.29Å; S1153-T1174 PolarHBondContact O-N 3.44Å; S1153-D1210 WeakPolarHBondContact CA-OD1 3.11Å; S1153-D1210 WeakPolarHBondContact CB-OD1 3.4Å; S1153-D1210 VanDerWaalsContact OG-CG 3.23Å; S1153-D1210 PolarHBondContact OG-OD1 3.47Å | ||
| 1154 | D | 92 | Very high | 84 | Confident | 22 Ų | 22 | 25.7 Ų | 25.7 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | trans | -104.2 | 67.1 | 167.7 | -76.6 | 1.8 | 0 | 0 | 0 | 109.1 | I1170 I1171 Q1172 Q1173 D1210 Y1211 | D1154-I1170 HydrophobicContact CB-CG2 3.91Å; D1154-I1171 CarbonylContact C-O 3.56Å; D1154-I1171 WeakPolarHBondContact CA-O 3.14Å; D1154-Q1172 VanDerWaalsContact OD1-CA 3.23Å; D1154-Q1172 WeakPolarHBondContact OD1-CA 3.22Å; D1154-Q1173 PolarHBondContact OD1-N 2.93Å; D1154-D1210 PolarHBondContact N-OD1 2.96Å; D1154-Y1211 WeakPolarHBondContact O-CB 3.46Å; D1154-Y1211 PolarHBondContact O-N 2.8Å | ||
| 1155 | P | 94.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 139.7 | -168.3 | 27.5 | -39 | 0 | 0 | 0 | 115.3 | S1153 I1171 T1174 P1177 W1179 L1208 F1209 | S1153-P1155 WeakPolarHBondContact O-CD 3.47Å; P1155-I1171 WeakPolarHBondContact CD-O 3.45Å; P1155-I1171 PolarHBondContact O-N 3.1Å; P1155-I1171 VanDerWaalsContact O-N 3.09Å; P1155-T1174 VanDerWaalsContact CD-O 3.32Å; P1155-T1174 WeakPolarHBondContact CD-O 3.07Å; P1155-T1174 HydrophobicContact CG-CG2 3.84Å; P1155-P1177 HydrophobicContact CB-CG 4.08Å; P1155-P1177 HydrophobicContact CG-CB 3.74Å; P1155-P1177 HydrophobicContact CG-CG 3.6Å; P1155-W1179 HydrophobicContact CB-CZ2 4.28Å; P1155-L1208 HydrophobicContact CB-CD1 4.29Å; P1155-F1209 CarbonylContact C-O 3.57Å; P1155-F1209 VanDerWaalsContact CA-O 3.23Å; P1155-F1209 WeakPolarHBondContact CA-O 3.21Å |
| 1156 | F | 95.9 | Very high | 84.3 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 2% | 0.022 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.7 | 163.4 | 71.4 | -82.6 | 0 | 0 | 0 | 111.4 | E1167 I1170 L1208 F1209 D1217 | F1156-E1167 HydrophobicContact CD2-CB 4.32Å; F1156-E1167 HydrophobicContact CD2-CG 3.94Å; F1156-E1167 HydrophobicContact CE2-CG 3.92Å; F1156-I1170 HydrophobicContact CB-CG1 3.95Å; F1156-I1170 HydrophobicContact CD1-CG1 3.99Å; F1156-I1170 HydrophobicContact CG-CG1 4.14Å; F1156-L1208 WeakPolarHBondContact O-CD1 3.33Å; F1156-F1209 HydrophobicContact CD1-CB 4.01Å; F1156-F1209 HydrophobicContact CE1-CB 3.45Å; F1156-F1209 VanDerWaalsContact CE1-CB 3.45Å; F1156-F1209 HydrophobicContact CE1-CG 4.43Å; F1156-F1209 HydrophobicContact CE2-CB 4.14Å; F1156-F1209 HydrophobicContact CE2-CD2 4.21Å; F1156-F1209 HydrophobicContact CE2-CG 4.48Å; F1156-F1209 HydrophobicContact CZ-CB 3.53Å; F1156-F1209 HydrophobicContact CZ-CD2 4.23Å; F1156-F1209 HydrophobicContact CZ-CG 4.05Å; F1156-F1209 PolarHBondContact N-O 3.31Å; F1156-F1209 PolarHBondContact O-N 2.91Å; F1156-D1217 HydrophobicContact CE1-CB 4.15Å; F1156-D1217 HydrophobicContact CZ-CB 4.23Å |
| 1157 | V | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.9 | 177.9 | 170 | 0 | 0 | 0 | 0 | 109.7 | I1138 E1167 T1168 W1179 I1206 L1208 I1256 | I1138-V1157 HydrophobicContact CG2-CB 4.41Å; I1138-V1157 HydrophobicContact CG2-CG2 4.27Å; V1157-E1167 VanDerWaalsContact O-CA 3.27Å; V1157-E1167 WeakPolarHBondContact O-CA 3.34Å; V1157-T1168 HydrophobicContact CB-CG2 4Å; V1157-T1168 PolarHBondContact N-OG1 3.16Å; V1157-T1168 PolarHBondContact O-N 3.36Å; V1157-W1179 HydrophobicContact CG2-CE3 4.43Å; V1157-W1179 HydrophobicContact CG2-CH2 3.44Å; V1157-W1179 VanDerWaalsContact CG2-CH2 3.44Å; V1157-W1179 HydrophobicContact CG2-CZ2 3.79Å; V1157-W1179 HydrophobicContact CG2-CZ3 3.8Å; V1157-I1206 HydrophobicContact CG1-CD1 4.4Å; V1157-I1206 HydrophobicContact CG1-CG2 3.9Å; V1157-L1208 HydrophobicContact CG2-CD1 3.54Å; V1157-I1256 HydrophobicContact CG1-CD1 4.41Å; V1157-I1256 HydrophobicContact CG2-CD1 3.76Å |
| 1158 | R | 93.6 | Very high | 85.8 | Confident | 8 Ų | 8 | 26 Ų | 26 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.1 | 165.3 | -175.2 | 176.2 | -67.9 | 141.3 | 1.3 | 109 | H613 E1167 E1207 F1209 | H613-R1158 VanDerWaalsContact CD2-CZ 3.42Å; H613-R1158 PolarHBondContact CD2-NH1 2.96Å; H613-R1158 VanDerWaalsContact CD2-NH1 3.34Å; H613-R1158 PolarHBondContact CD2-NH2 2.89Å; H613-R1158 PolarHBondContact CE1-NH1 3.24Å; H613-R1158 PolarHBondContact NE2-NH1 2.9Å; R1158-E1167 HydrophobicContact CB-CG 4.02Å; R1158-E1167 HydrophobicContact CG-CG 4.12Å; R1158-E1167 IonicContact CZ-OE1 2.71Å; R1158-E1167 IonicContact NE-OE1 3.15Å; R1158-E1167 PolarHBondContact NE-OE1 3.43Å; R1158-E1167 IonicContact NH2-OE1 2.78Å; R1158-E1167 PolarHBondContact NH2-OE1 2.88Å; R1158-E1207 HydrophobicContact CB-CB 4.47Å; R1158-E1207 PolarHBondContact N-O 3.1Å; R1158-E1207 PolarHBondContact O-N 3.37Å; R1158-F1209 HydrophobicContact CB-CD2 4.26Å; R1158-F1209 HydrophobicContact CB-CE2 4.08Å |
| 1159 | C | 93.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.3 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 109 | S1165 Q1166 L1183 F1185 V1204 M1205 I1206 | C1159-S1165 CarbonylContact O-C 3.58Å; C1159-S1165 WeakPolarHBondContact O-CA 3.49Å; C1159-S1165 WeakPolarHBondContact O-CB 3.36Å; C1159-Q1166 PolarHBondContact N-O 2.96Å; C1159-Q1166 PolarHBondContact O-N 2.89Å; C1159-L1183 HydrophobicContact CB-CD1 3.69Å; C1159-F1185 HydrophobicContact CB-CE2 4.49Å; C1159-F1185 HydrophobicContact CB-CZ 4.09Å; C1159-F1185 WeakPolarHBondContact O-CZ 3.2Å; C1159-V1204 WeakPolarHBondContact SG-CG1 3.48Å; C1159-M1205 CarbonylContact C-O 3.57Å; C1159-M1205 WeakPolarHBondContact CA-O 3.38Å; C1159-I1206 HydrophobicContact CB-CD1 3.75Å; C1159-I1206 VanDerWaalsContact SG-CD1 3.6Å |
| 1160 | S | 92.2 | Very high | 87.8 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.6 | 179.5 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | M569 H1164 S1165 M1205 | M569-S1160 WeakPolarHBondContact SD-CB 3.13Å; M569-S1160 PolarHBondContact SD-OG 3.34Å; S1160-H1164 CarbonylContact C-O 3.54Å; S1160-H1164 WeakPolarHBondContact CA-O 3.25Å; S1160-S1165 VanDerWaalsContact OG-CB 3.28Å; S1160-S1165 WeakPolarHBondContact OG-CB 3.4Å; S1160-M1205 PolarHBondContact N-O 3.3Å; S1160-M1205 PolarHBondContact O-N 3.46Å |
| 1161 | F | 92.8 | Very high | 89 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 128.2 | 179.6 | -175.3 | -100.2 | 0 | 0 | 0 | 110.8 | L1134 G1163 H1164 I1188 M1190 P1202 V1204 P1227 L1262 | L1134-F1161 HydrophobicContact CB-CD1 4.44Å; L1134-F1161 HydrophobicContact CD2-CB 3.71Å; L1134-F1161 HydrophobicContact CD2-CD1 3.88Å; L1134-F1161 HydrophobicContact CD2-CD2 4Å; L1134-F1161 HydrophobicContact CD2-CE1 4.47Å; L1134-F1161 HydrophobicContact CD2-CG 3.61Å; F1161-G1163 PolarHBondContact O-N 3.39Å; F1161-H1164 PolarHBondContact N-O 3.01Å; F1161-H1164 WeakPolarHBondContact O-CB 3.28Å; F1161-H1164 PolarHBondContact O-N 2.67Å; F1161-I1188 HydrophobicContact CD1-CD1 3.68Å; F1161-I1188 HydrophobicContact CD1-CG2 4.32Å; F1161-I1188 HydrophobicContact CE1-CD1 3.83Å; F1161-I1188 HydrophobicContact CE1-CG2 4.04Å; F1161-M1190 HydrophobicContact CE1-CE 4.32Å; F1161-M1190 HydrophobicContact CZ-CE 4.37Å; F1161-P1202 HydrophobicContact CE2-CB 3.77Å; F1161-P1202 HydrophobicContact CE2-CG 4.22Å; F1161-P1202 WeakPolarHBondContact CE2-O 3.1Å; F1161-P1202 HydrophobicContact CZ-CB 4.13Å; F1161-P1202 HydrophobicContact CZ-CG 4.07Å; F1161-V1204 HydrophobicContact CD2-CB 4.48Å; F1161-V1204 HydrophobicContact CD2-CG2 3.83Å; F1161-V1204 HydrophobicContact CE2-CG2 4.26Å; F1161-P1227 HydrophobicContact CE2-CG 4.5Å; F1161-L1262 HydrophobicContact CE1-CD1 3.87Å; F1161-L1262 HydrophobicContact CZ-CD1 3.86Å; F1161-L1262 HydrophobicContact CZ-CD2 3.96Å |
| 1162 | Q | 86 | Confident | 90 | Very high | 36 Ų | 36 | 31.3 Ų | 31.3 | 17% | 0.168 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 56.7 | 171.6 | -68.1 | -65.4 | -10.1 | 0 | 0 | 114.9 | S566 H1164 I1188 M1190 P1202 | S566-Q1162 PolarHBondContact OG-OE1 2.55Å; Q1162-H1164 VanDerWaalsContact C-N 3.28Å; Q1162-H1164 PolarHBondContact O-N 3.46Å; Q1162-H1164 PolarHBondContact O-ND1 2.93Å; Q1162-I1188 HydrophobicContact CB-CG2 3.86Å; Q1162-I1188 HydrophobicContact CG-CG2 4.44Å; Q1162-M1190 HydrophobicContact CG-CG 4.48Å; Q1162-M1190 HydrophobicContact CG-SD 3.8Å; Q1162-P1202 HydrophobicContact CG-CB 4.35Å; Q1162-P1202 HydrophobicContact CG-CG 4.3Å; Q1162-P1202 VanDerWaalsContact NE2-CB 3.28Å |
| 1163 | G | 80.7 | Confident | 90.1 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 6.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D610 F1161 | D610-G1163 WeakPolarHBondContact CB-O 3.39Å; F1161-G1163 PolarHBondContact O-N 3.39Å |
| 1164 | H | 84.2 | Confident | 89.9 | Confident | 75 Ų | 75 | 36.5 Ų | 36.5 | 35% | 0.347 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.6 | 175.4 | -57.2 | 79.4 | 0 | 0 | 0 | 109.8 | S1160 F1161 Q1162 F1185 | S1160-H1164 CarbonylContact C-O 3.54Å; S1160-H1164 WeakPolarHBondContact CA-O 3.25Å; F1161-H1164 PolarHBondContact N-O 3.01Å; F1161-H1164 WeakPolarHBondContact O-CB 3.28Å; F1161-H1164 PolarHBondContact O-N 2.67Å; Q1162-H1164 VanDerWaalsContact C-N 3.28Å; Q1162-H1164 PolarHBondContact O-N 3.46Å; Q1162-H1164 PolarHBondContact O-ND1 2.93Å; H1164-F1185 HydrophobicContact CB-CD1 3.72Å; H1164-F1185 HydrophobicContact CB-CE1 4.09Å |
| 1165 | S | 87.7 | Confident | 89.3 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 154.6 | 165.8 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | D610 C1159 S1160 | D610-S1165 VanDerWaalsContact OD2-CB 3.27Å; D610-S1165 WeakPolarHBondContact OD2-CB 3.5Å; D610-S1165 PolarHBondContact OD2-OG 3.49Å; C1159-S1165 CarbonylContact O-C 3.58Å; C1159-S1165 WeakPolarHBondContact O-CA 3.49Å; C1159-S1165 WeakPolarHBondContact O-CB 3.36Å; S1160-S1165 VanDerWaalsContact OG-CB 3.28Å; S1160-S1165 WeakPolarHBondContact OG-CB 3.4Å |
| 1166 | Q | 88 | Confident | 88.7 | Confident | 19 Ų | 19 | 37 Ų | 37 | 9% | 0.089 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 154.5 | 177 | -68.5 | -173.2 | 60.7 | 0 | 0 | 109.9 | C1159 L1183 I1184 F1185 | C1159-Q1166 PolarHBondContact N-O 2.96Å; C1159-Q1166 PolarHBondContact O-N 2.89Å; Q1166-L1183 HydrophobicContact CB-CB 4.31Å; Q1166-L1183 HydrophobicContact CB-CD1 4.12Å; Q1166-L1183 HydrophobicContact CB-CD2 4.4Å; Q1166-I1184 PolarHBondContact NE2-O 3.41Å; Q1166-F1185 HydrophobicContact CB-CE1 4.16Å; Q1166-F1185 HydrophobicContact CB-CE2 4.46Å; Q1166-F1185 HydrophobicContact CB-CZ 3.8Å; Q1166-F1185 HydrophobicContact CG-CD1 4.34Å; Q1166-F1185 HydrophobicContact CG-CE1 3.81Å; Q1166-F1185 HydrophobicContact CG-CZ 3.9Å |
| 1167 | E | 91.8 | Very high | 88.3 | Confident | 64 Ų | 64 | 36.8 Ų | 36.8 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 146.6 | 177.8 | -77.4 | 159.8 | -177.7 | 0 | 0 | 110.7 | L612 F1156 V1157 R1158 L1183 | L612-E1167 HydrophobicContact CD2-CB 4.47Å; L612-E1167 HydrophobicContact CD2-CG 3.88Å; F1156-E1167 HydrophobicContact CD2-CB 4.32Å; F1156-E1167 HydrophobicContact CD2-CG 3.94Å; F1156-E1167 HydrophobicContact CE2-CG 3.92Å; V1157-E1167 VanDerWaalsContact O-CA 3.27Å; V1157-E1167 WeakPolarHBondContact O-CA 3.34Å; R1158-E1167 HydrophobicContact CB-CG 4.02Å; R1158-E1167 HydrophobicContact CG-CG 4.12Å; R1158-E1167 IonicContact CZ-OE1 2.71Å; R1158-E1167 IonicContact NE-OE1 3.15Å; R1158-E1167 PolarHBondContact NE-OE1 3.43Å; R1158-E1167 IonicContact NH2-OE1 2.78Å; R1158-E1167 PolarHBondContact NH2-OE1 2.88Å; E1167-L1183 WeakPolarHBondContact O-CD2 3.49Å |
| 1168 | T | 94.2 | Very high | 88 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | trans | -74.7 | 175.1 | 164.7 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | I1138 V1157 W1179 L1183 | I1138-T1168 HydrophobicContact CB-CG2 4.03Å; I1138-T1168 HydrophobicContact CG1-CG2 4.25Å; I1138-T1168 HydrophobicContact CG2-CG2 3.84Å; V1157-T1168 HydrophobicContact CB-CG2 4Å; V1157-T1168 PolarHBondContact N-OG1 3.16Å; V1157-T1168 PolarHBondContact O-N 3.36Å; T1168-W1179 VanDerWaalsContact CB-CD1 3.48Å; T1168-W1179 HydrophobicContact CG2-CB 4.47Å; T1168-W1179 HydrophobicContact CG2-CD2 4.49Å; T1168-W1179 HydrophobicContact CG2-CG 4.15Å; T1168-W1179 PolarHBondContact OG1-NE1 3.01Å; T1168-W1179 VanDerWaalsContact OG1-NE1 3.13Å; T1168-L1183 HydrophobicContact CG2-CD1 4.14Å; T1168-L1183 HydrophobicContact CG2-CD2 4.37Å; T1168-L1183 HydrophobicContact CG2-CG 4.44Å | ||
| 1169 | Q | 91.9 | Very high | 87.9 | Confident | 102 Ų | 102 | 40.3 Ų | 40.3 | 48% | 0.477 | 20% | 0.2 | S | C | . | . | trans | -63.1 | 154.1 | 165.3 | -62.5 | -158.7 | -43.7 | 0 | 0 | 112.3 | W1179 E1181 L1280 | Q1169-W1179 PolarHBondContact O-NE1 2.95Å; Q1169-E1181 WeakPolarHBondContact CB-OE1 3.31Å; Q1169-E1181 WeakPolarHBondContact CG-OE1 3.45Å; Q1169-E1181 PolarHBondContact N-OE1 2.78Å; Q1169-L1280 HydrophobicContact CG-CD1 3.79Å; Q1169-L1280 HydrophobicContact CG-CD2 4.01Å | ||
| 1170 | I | 92.9 | Very high | 87.7 | Confident | 70 Ų | 70 | 41 Ų | 41 | 36% | 0.359 | 20% | 0.204 | S | C | . | . | trans | -78.8 | 119.9 | 167.3 | -62.4 | 155.3 | 0 | 0 | 0 | 107.6 | D1154 F1156 Q1172 Y1211 | D1154-I1170 HydrophobicContact CB-CG2 3.91Å; F1156-I1170 HydrophobicContact CB-CG1 3.95Å; F1156-I1170 HydrophobicContact CD1-CG1 3.99Å; F1156-I1170 HydrophobicContact CG-CG1 4.14Å; I1170-Q1172 HydrophobicContact CG2-CG 4.42Å; I1170-Y1211 HydrophobicContact CD1-CD1 3.99Å; I1170-Y1211 HydrophobicContact CD1-CD2 3.58Å; I1170-Y1211 HydrophobicContact CD1-CE1 4.43Å; I1170-Y1211 HydrophobicContact CD1-CE2 4.08Å; I1170-Y1211 HydrophobicContact CD1-CG 3.52Å; I1170-Y1211 HydrophobicContact CG1-CD2 4.47Å; I1170-Y1211 HydrophobicContact CG1-CG 4.16Å; I1170-Y1211 HydrophobicContact CG2-CD1 4.23Å; I1170-Y1211 HydrophobicContact CG2-CG 4.17Å | ||
| 1171 | I | 90.5 | Very high | 87.8 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | trans | -99 | 115.1 | 172.7 | -51.8 | -59.1 | 0 | 0 | 0 | 107.5 | D1154 P1155 T1174 P1177 W1179 | D1154-I1171 CarbonylContact C-O 3.56Å; D1154-I1171 WeakPolarHBondContact CA-O 3.14Å; P1155-I1171 WeakPolarHBondContact CD-O 3.45Å; P1155-I1171 PolarHBondContact O-N 3.1Å; P1155-I1171 VanDerWaalsContact O-N 3.09Å; I1171-T1174 HydrophobicContact CB-CG2 4.1Å; I1171-T1174 HydrophobicContact CG2-CG2 3.61Å; I1171-P1177 HydrophobicContact CB-CB 4.01Å; I1171-P1177 HydrophobicContact CG1-CB 4.07Å; I1171-P1177 HydrophobicContact CG2-CB 4.35Å; I1171-W1179 HydrophobicContact CG1-CG 4.39Å | ||
| 1172 | Q | 88.1 | Confident | 87.8 | Confident | 139 Ų | 139 | 41.2 Ų | 41.2 | 65% | 0.65 | 20% | 0.204 | S | C | * | . | trans | -77.2 | 143.8 | -172.7 | -64.6 | -175.6 | -39 | 0 | 0 | 113 | D1154 I1170 T1174 | D1154-Q1172 VanDerWaalsContact OD1-CA 3.23Å; D1154-Q1172 WeakPolarHBondContact OD1-CA 3.22Å; I1170-Q1172 HydrophobicContact CG2-CG 4.42Å; Q1172-T1174 PolarHBondContact O-N 3.45Å | ||
| 1173 | Q | 80 | Confident | 88.1 | Confident | 124 Ų | 124 | 39.9 Ų | 39.9 | 58% | 0.579 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 51.4 | 55.9 | 169.8 | -60 | -171.1 | -12.9 | 0 | 0 | 114.3 | L1152 S1153 D1154 | L1152-Q1173 HydrophobicContact CD1-CB 4Å; L1152-Q1173 WeakPolarHBondContact CD1-O 3.33Å; S1153-Q1173 CarbonylContact O-C 3.51Å; S1153-Q1173 WeakPolarHBondContact O-CA 3.27Å; S1153-Q1173 PolarHBondContact O-N 3.29Å; D1154-Q1173 PolarHBondContact OD1-N 2.93Å |
| 1174 | T | 82.3 | Confident | 88.4 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 9% | 0.092 | 19% | 0.194 | C | C | . | . | trans | -146.6 | 151 | 176.3 | -173.4 | 0 | 0 | 0 | 0 | 113.3 | S1153 P1155 I1171 Q1172 C1176 P1177 | S1153-T1174 PolarHBondContact O-N 3.44Å; P1155-T1174 VanDerWaalsContact CD-O 3.32Å; P1155-T1174 WeakPolarHBondContact CD-O 3.07Å; P1155-T1174 HydrophobicContact CG-CG2 3.84Å; I1171-T1174 HydrophobicContact CB-CG2 4.1Å; I1171-T1174 HydrophobicContact CG2-CG2 3.61Å; Q1172-T1174 PolarHBondContact O-N 3.45Å; T1174-C1176 PolarHBondContact OG1-N 2.82Å; T1174-P1177 HydrophobicContact CG2-CB 3.8Å | ||
| 1175 | L | 79.3 | Confident | 88.6 | Confident | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -106.3 | 2 | 168.1 | -55.3 | -178.3 | 0 | 0 | 0 | 112.5 | S1143 V1144 A1146 L1152 | S1143-L1175 PolarHBondContact N-O 3.42Å; V1144-L1175 HydrophobicContact CB-CB 4.43Å; V1144-L1175 VanDerWaalsContact CB-O 3.31Å; V1144-L1175 WeakPolarHBondContact CB-O 3.46Å; V1144-L1175 WeakPolarHBondContact CG2-O 3.44Å; V1144-L1175 PolarHBondContact N-O 3.01Å; A1146-L1175 HydrophobicContact CB-CD1 4Å; A1146-L1175 HydrophobicContact CB-CD2 3.64Å; A1146-L1175 HydrophobicContact CB-CG 4.44Å; L1152-L1175 HydrophobicContact CD2-CD1 4.32Å; L1152-L1175 HydrophobicContact CD2-CG 4Å |
| 1176 | C | 81 | Confident | 88.1 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 10% | 0.095 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -137.5 | 59.2 | -176.6 | -60.4 | 0 | 0 | 0 | 0 | 110 | A1141 T1174 P1362 V1383 | A1141-C1176 CarbonylContact O-C 3.59Å; A1141-C1176 VanDerWaalsContact O-CA 3.25Å; A1141-C1176 WeakPolarHBondContact O-CA 3.33Å; T1174-C1176 PolarHBondContact OG1-N 2.82Å; C1176-P1362 HydrophobicContact CB-CG 3.51Å; C1176-P1362 WeakPolarHBondContact SG-CG 3.26Å; C1176-V1383 VanDerWaalsContact SG-CG1 3.57Å |
| 1177 | P | 88.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -66.6 | 143.8 | -175.4 | 29 | -36.9 | 0 | 0 | 0 | 112.2 | Q1140 A1141 V1144 P1155 I1171 T1174 W1179 | Q1140-P1177 CarbonylContact C-O 3.52Å; Q1140-P1177 WeakPolarHBondContact CA-O 3.45Å; Q1140-P1177 VanDerWaalsContact CB-O 3.26Å; Q1140-P1177 WeakPolarHBondContact CB-O 3.29Å; A1141-P1177 HydrophobicContact CB-CG 3.85Å; A1141-P1177 PolarHBondContact N-O 3.3Å; V1144-P1177 HydrophobicContact CG2-CG 4.47Å; P1155-P1177 HydrophobicContact CB-CG 4.08Å; P1155-P1177 HydrophobicContact CG-CB 3.74Å; P1155-P1177 HydrophobicContact CG-CG 3.6Å; I1171-P1177 HydrophobicContact CB-CB 4.01Å; I1171-P1177 HydrophobicContact CG1-CB 4.07Å; I1171-P1177 HydrophobicContact CG2-CB 4.35Å; T1174-P1177 HydrophobicContact CG2-CB 3.8Å; P1177-W1179 HydrophobicContact CB-CD2 4.39Å; P1177-W1179 HydrophobicContact CB-CH2 3.92Å; P1177-W1179 HydrophobicContact CB-CZ2 3.71Å; P1177-W1179 HydrophobicContact CB-CZ3 4.33Å; P1177-W1179 HydrophobicContact CG-CE3 4.48Å; P1177-W1179 HydrophobicContact CG-CH2 3.27Å; P1177-W1179 HydrophobicContact CG-CZ2 3.51Å; P1177-W1179 HydrophobicContact CG-CZ3 3.82Å | ||
| 1178 | I | 88.8 | Confident | 87.1 | Confident | 71 Ų | 71 | 39.4 Ų | 39.4 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 112.4 | 169.5 | -54.6 | 177.1 | 0 | 0 | 0 | 107 | Q1140 D1180 P1361 | Q1140-I1178 HydrophobicContact CB-CB 4.28Å; Q1140-I1178 HydrophobicContact CB-CG1 3.89Å; Q1140-I1178 HydrophobicContact CB-CG2 4.37Å; I1178-D1180 HydrophobicContact CG2-CB 4.49Å; I1178-P1361 HydrophobicContact CD1-CB 4.45Å |
| 1179 | W | 91.3 | Very high | 86.5 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.038 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -46.3 | 176.3 | -63 | -79.3 | 0 | 0 | 0 | 110.9 | I1138 F1139 A1141 P1155 V1157 T1168 Q1169 I1171 P1177 E1181 L1208 | I1138-W1179 HydrophobicContact CG2-CD2 4.21Å; I1138-W1179 HydrophobicContact CG2-CE3 3.67Å; I1138-W1179 HydrophobicContact CG2-CZ3 4.19Å; F1139-W1179 PolarHBondContact O-N 2.85Å; A1141-W1179 HydrophobicContact CB-CH2 3.91Å; A1141-W1179 HydrophobicContact CB-CZ3 3.8Å; P1155-W1179 HydrophobicContact CB-CZ2 4.28Å; V1157-W1179 HydrophobicContact CG2-CE3 4.43Å; V1157-W1179 HydrophobicContact CG2-CH2 3.44Å; V1157-W1179 VanDerWaalsContact CG2-CH2 3.44Å; V1157-W1179 HydrophobicContact CG2-CZ2 3.79Å; V1157-W1179 HydrophobicContact CG2-CZ3 3.8Å; T1168-W1179 VanDerWaalsContact CB-CD1 3.48Å; T1168-W1179 HydrophobicContact CG2-CB 4.47Å; T1168-W1179 HydrophobicContact CG2-CD2 4.49Å; T1168-W1179 HydrophobicContact CG2-CG 4.15Å; T1168-W1179 PolarHBondContact OG1-NE1 3.01Å; T1168-W1179 VanDerWaalsContact OG1-NE1 3.13Å; Q1169-W1179 PolarHBondContact O-NE1 2.95Å; I1171-W1179 HydrophobicContact CG1-CG 4.39Å; P1177-W1179 HydrophobicContact CB-CD2 4.39Å; P1177-W1179 HydrophobicContact CB-CH2 3.92Å; P1177-W1179 HydrophobicContact CB-CZ2 3.71Å; P1177-W1179 HydrophobicContact CB-CZ3 4.33Å; P1177-W1179 HydrophobicContact CG-CE3 4.48Å; P1177-W1179 HydrophobicContact CG-CH2 3.27Å; P1177-W1179 HydrophobicContact CG-CZ2 3.51Å; P1177-W1179 HydrophobicContact CG-CZ3 3.82Å; W1179-E1181 HydrophobicContact CB-CB 4.2Å; W1179-E1181 HydrophobicContact CB-CG 4.1Å; W1179-E1181 PolarHBondContact O-N 2.77Å; W1179-L1208 HydrophobicContact CH2-CD1 3.75Å; W1179-L1208 HydrophobicContact CZ2-CD1 4.11Å |
| 1180 | D | 90.5 | Very high | 86.2 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.8 | 38.4 | -171.7 | 175.5 | 48.4 | 0 | 0 | 0 | 111.7 | I1138 F1139 I1178 R1277 N1282 V1283 R1288 | I1138-D1180 PolarHBondContact O-N 3.43Å; F1139-D1180 HydrophobicContact CD2-CB 4.27Å; F1139-D1180 HydrophobicContact CE2-CB 4.22Å; F1139-D1180 PolarHBondContact O-N 2.88Å; I1178-D1180 HydrophobicContact CG2-CB 4.49Å; D1180-R1277 IonicContact OD2-NH2 2.69Å; D1180-R1277 PolarHBondContact OD2-NH2 3.43Å; D1180-N1282 CarbonylContact O-C 3.49Å; D1180-N1282 WeakPolarHBondContact O-CA 3.37Å; D1180-V1283 PolarHBondContact O-N 3.32Å; D1180-V1283 VanDerWaalsContact O-N 3.14Å; D1180-R1288 VanDerWaalsContact CG-NH2 3.33Å; D1180-R1288 IonicContact OD1-CZ 2.66Å; D1180-R1288 IonicContact OD1-NE 2.82Å; D1180-R1288 PolarHBondContact OD1-NE 3Å; D1180-R1288 IonicContact OD1-NH2 3.67Å; D1180-R1288 PolarHBondContact OD1-NH2 2.82Å; D1180-R1288 IonicContact OD2-CZ 2.85Å; D1180-R1288 IonicContact OD2-NE 2.79Å; D1180-R1288 IonicContact OD2-NH2 3.43Å; D1180-R1288 PolarHBondContact OD2-NH2 2.79Å |
| 1181 | E | 93.6 | Very high | 85.7 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 142.1 | -174.1 | -73.6 | -177.3 | -111.4 | 0 | 0 | 112.7 | I1138 Q1169 W1179 L1280 F1281 | I1138-E1181 PolarHBondContact N-O 2.79Å; I1138-E1181 PolarHBondContact O-N 2.79Å; Q1169-E1181 WeakPolarHBondContact CB-OE1 3.31Å; Q1169-E1181 WeakPolarHBondContact CG-OE1 3.45Å; Q1169-E1181 PolarHBondContact N-OE1 2.78Å; W1179-E1181 HydrophobicContact CB-CB 4.2Å; W1179-E1181 HydrophobicContact CB-CG 4.1Å; W1179-E1181 PolarHBondContact O-N 2.77Å; E1181-L1280 HydrophobicContact CG-CD1 4.19Å; E1181-F1281 CarbonylContact C-O 3.48Å; E1181-F1281 WeakPolarHBondContact CA-O 3.46Å |
| 1182 | T | 93 | Very high | 85.1 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.1 | 165.6 | -53 | 0 | 0 | 0 | 0 | 109.7 | R1135 A1136 Y1137 I1184 P1274 F1281 N1282 | R1135-T1182 HydrophobicContact CB-CG2 4.13Å; A1136-T1182 CarbonylContact O-C 3.57Å; A1136-T1182 WeakPolarHBondContact O-CA 3.2Å; Y1137-T1182 HydrophobicContact CD1-CG2 3.63Å; Y1137-T1182 VanDerWaalsContact CD1-OG1 3.28Å; Y1137-T1182 WeakPolarHBondContact CD1-OG1 3.45Å; Y1137-T1182 HydrophobicContact CE1-CG2 3.51Å; T1182-I1184 HydrophobicContact CG2-CD1 4.47Å; T1182-I1184 HydrophobicContact CG2-CG1 3.91Å; T1182-P1274 HydrophobicContact CG2-CG 4.24Å; T1182-F1281 PolarHBondContact N-O 2.91Å; T1182-N1282 PolarHBondContact OG1-O 2.93Å |
| 1183 | L | 92.2 | Very high | 84.9 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.4 | 169.7 | -52.2 | 178.1 | 0 | 0 | 0 | 108.6 | A1136 I1138 C1159 Q1166 E1167 T1168 F1185 | A1136-L1183 HydrophobicContact CB-CB 4.26Å; A1136-L1183 PolarHBondContact N-O 3.11Å; A1136-L1183 PolarHBondContact O-N 2.67Å; I1138-L1183 HydrophobicContact CG1-CD1 4.26Å; I1138-L1183 HydrophobicContact CG1-CG 4.47Å; C1159-L1183 HydrophobicContact CB-CD1 3.69Å; Q1166-L1183 HydrophobicContact CB-CB 4.31Å; Q1166-L1183 HydrophobicContact CB-CD1 4.12Å; Q1166-L1183 HydrophobicContact CB-CD2 4.4Å; E1167-L1183 WeakPolarHBondContact O-CD2 3.49Å; T1168-L1183 HydrophobicContact CG2-CD1 4.14Å; T1168-L1183 HydrophobicContact CG2-CD2 4.37Å; T1168-L1183 HydrophobicContact CG2-CG 4.44Å; L1183-F1185 HydrophobicContact CB-CE2 4.04Å |
| 1184 | I | 87.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 108.9 | -171.6 | -51.5 | -173.2 | 0 | 0 | 0 | 109.9 | R1028 H1133 R1135 Q1166 T1182 E1186 F1281 | R1028-I1184 PolarHBondContact NH2-O 3.29Å; H1133-I1184 WeakPolarHBondContact CE1-CG2 3.27Å; H1133-I1184 WeakPolarHBondContact NE2-CG2 3.2Å; R1135-I1184 HydrophobicContact CG-CG2 4.45Å; Q1166-I1184 PolarHBondContact NE2-O 3.41Å; T1182-I1184 HydrophobicContact CG2-CD1 4.47Å; T1182-I1184 HydrophobicContact CG2-CG1 3.91Å; I1184-E1186 HydrophobicContact CG2-CG 3.71Å; I1184-F1281 HydrophobicContact CD1-CB 4.29Å; I1184-F1281 HydrophobicContact CD1-CD1 3.66Å; I1184-F1281 HydrophobicContact CD1-CD2 3.71Å; I1184-F1281 HydrophobicContact CD1-CE1 3.69Å; I1184-F1281 HydrophobicContact CD1-CE2 3.78Å; I1184-F1281 HydrophobicContact CD1-CG 3.64Å; I1184-F1281 HydrophobicContact CD1-CZ 3.75Å; I1184-F1281 HydrophobicContact CG1-CD2 4.06Å; I1184-F1281 HydrophobicContact CG1-CE2 4.24Å; I1184-F1281 HydrophobicContact CG1-CG 4.34Å |
| 1185 | F | 87.6 | Confident | 85.4 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 114.3 | 175.4 | -56.6 | -105.4 | 0 | 0 | 0 | 108.1 | H1133 L1134 A1136 C1159 H1164 Q1166 L1183 I1188 | H1133-F1185 CarbonylContact C-O 3.59Å; H1133-F1185 WeakPolarHBondContact CA-O 3.4Å; L1134-F1185 HydrophobicContact CB-CB 4.12Å; L1134-F1185 HydrophobicContact CB-CD2 4.37Å; L1134-F1185 HydrophobicContact CD2-CD2 3.87Å; L1134-F1185 HydrophobicContact CD2-CE2 4.23Å; L1134-F1185 HydrophobicContact CD2-CG 4.36Å; L1134-F1185 HydrophobicContact CG-CD2 4.32Å; L1134-F1185 PolarHBondContact N-O 3.4Å; L1134-F1185 PolarHBondContact O-N 3.08Å; A1136-F1185 HydrophobicContact CB-CE2 4.45Å; C1159-F1185 HydrophobicContact CB-CE2 4.49Å; C1159-F1185 HydrophobicContact CB-CZ 4.09Å; C1159-F1185 WeakPolarHBondContact O-CZ 3.2Å; H1164-F1185 HydrophobicContact CB-CD1 3.72Å; H1164-F1185 HydrophobicContact CB-CE1 4.09Å; Q1166-F1185 HydrophobicContact CB-CE1 4.16Å; Q1166-F1185 HydrophobicContact CB-CE2 4.46Å; Q1166-F1185 HydrophobicContact CB-CZ 3.8Å; Q1166-F1185 HydrophobicContact CG-CD1 4.34Å; Q1166-F1185 HydrophobicContact CG-CE1 3.81Å; Q1166-F1185 HydrophobicContact CG-CZ 3.9Å; L1183-F1185 HydrophobicContact CB-CE2 4.04Å; F1185-I1188 HydrophobicContact CB-CD1 3.52Å; F1185-I1188 HydrophobicContact CB-CG1 4.11Å |
| 1186 | E | 76.4 | Confident | 85.5 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 19% | 0.192 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 152.4 | -173.3 | -60.9 | -179.6 | -148 | 0 | 0 | 110.1 | R1028 H1133 I1184 I1188 | R1028-E1186 IonicContact CZ-OE1 3.87Å; R1028-E1186 VanDerWaalsContact CZ-OE1 3.29Å; R1028-E1186 IonicContact CZ-OE2 2.8Å; R1028-E1186 IonicContact NH1-OE1 3.84Å; R1028-E1186 PolarHBondContact NH1-OE1 3.03Å; R1028-E1186 IonicContact NH1-OE2 3.82Å; R1028-E1186 PolarHBondContact NH1-OE2 3.1Å; R1028-E1186 IonicContact NH2-OE1 3.75Å; R1028-E1186 PolarHBondContact NH2-OE1 2.72Å; R1028-E1186 IonicContact NH2-OE2 3.71Å; H1133-E1186 WeakPolarHBondContact CE1-CG 3.34Å; H1133-E1186 IonicContact CE1-OE1 3.29Å; I1184-E1186 HydrophobicContact CG2-CG 3.71Å; E1186-I1188 VanDerWaalsContact C-N 3.29Å; E1186-I1188 PolarHBondContact O-N 2.91Å |
| 1187 | H | 74.5 | Confident | 85.8 | Confident | 123 Ų | 123 | 35.1 Ų | 35.1 | 57% | 0.569 | 18% | 0.176 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 38.1 | 176.5 | -64.7 | -84.5 | 0 | 0 | 0 | 114.6 | I1131 W1132 E1189 | I1131-H1187 HydrophobicContact CG2-CB 4.48Å; W1132-H1187 PolarHBondContact O-N 3.02Å; H1187-E1189 PolarHBondContact O-N 3Å; H1187-E1189 VanDerWaalsContact O-N 3.11Å |
| 1188 | I | 85 | Confident | 85.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 105 | 174.6 | -59.5 | 155.4 | 0 | 0 | 0 | 108.6 | W1132 L1134 F1161 Q1162 F1185 E1186 M1190 | W1132-I1188 HydrophobicContact CB-CB 4.24Å; W1132-I1188 WeakPolarHBondContact CB-O 3.39Å; W1132-I1188 PolarHBondContact N-O 3.36Å; W1132-I1188 PolarHBondContact O-N 3.21Å; L1134-I1188 HydrophobicContact CB-CD1 3.71Å; F1161-I1188 HydrophobicContact CD1-CD1 3.68Å; F1161-I1188 HydrophobicContact CD1-CG2 4.32Å; F1161-I1188 HydrophobicContact CE1-CD1 3.83Å; F1161-I1188 HydrophobicContact CE1-CG2 4.04Å; Q1162-I1188 HydrophobicContact CB-CG2 3.86Å; Q1162-I1188 HydrophobicContact CG-CG2 4.44Å; F1185-I1188 HydrophobicContact CB-CD1 3.52Å; F1185-I1188 HydrophobicContact CB-CG1 4.11Å; E1186-I1188 VanDerWaalsContact C-N 3.29Å; E1186-I1188 PolarHBondContact O-N 2.91Å; I1188-M1190 HydrophobicContact CG2-CE 4.28Å; I1188-M1190 HydrophobicContact CG2-CG 4.21Å |
| 1189 | E | 81.8 | Confident | 85.5 | Confident | 118 Ų | 118 | 40.1 Ų | 40.1 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.2 | 179.1 | -173.5 | 168.2 | -160.8 | 0 | 0 | 111.5 | S1129 H1187 | S1129-E1189 WeakPolarHBondContact CB-OE1 3.47Å; S1129-E1189 VanDerWaalsContact OG-CD 3.25Å; S1129-E1189 WeakPolarHBondContact OG-CG 3.34Å; S1129-E1189 PolarHBondContact OG-OE1 2.81Å; H1187-E1189 PolarHBondContact O-N 3Å; H1187-E1189 VanDerWaalsContact O-N 3.11Å |
| 1190 | M | 85.9 | Confident | 85.3 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136.7 | 176.8 | -69.9 | -172.8 | -75.8 | 0 | 0 | 111.2 | H1130 W1132 F1161 Q1162 I1188 I1197 P1202 L1262 | H1130-M1190 PolarHBondContact N-O 3.13Å; H1130-M1190 PolarHBondContact O-N 3.42Å; W1132-M1190 HydrophobicContact CB-CE 3.89Å; W1132-M1190 VanDerWaalsContact CD1-CE 3.44Å; W1132-M1190 HydrophobicContact CD2-CE 3.9Å; W1132-M1190 HydrophobicContact CG-CE 3.47Å; W1132-M1190 VanDerWaalsContact CG-CE 3.47Å; F1161-M1190 HydrophobicContact CE1-CE 4.32Å; F1161-M1190 HydrophobicContact CZ-CE 4.37Å; Q1162-M1190 HydrophobicContact CG-CG 4.48Å; Q1162-M1190 HydrophobicContact CG-SD 3.8Å; I1188-M1190 HydrophobicContact CG2-CE 4.28Å; I1188-M1190 HydrophobicContact CG2-CG 4.21Å; M1190-I1197 HydrophobicContact CB-CD1 4.05Å; M1190-I1197 HydrophobicContact CE-CD1 4.26Å; M1190-I1197 HydrophobicContact SD-CD1 4.34Å; M1190-P1202 HydrophobicContact SD-CG 3.91Å; M1190-L1262 HydrophobicContact CE-CD1 4.31Å; M1190-L1262 HydrophobicContact CE-CD2 4.14Å |
| 1191 | C | 82.5 | Confident | 85.3 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 14% | 0.142 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 148 | -179.6 | -38.2 | 0 | 0 | 0 | 0 | 111.7 | K623 F1126 | K623-C1191 WeakPolarHBondContact CE-SG 3.36Å; F1126-C1191 HydrophobicContact CB-CB 3.68Å; F1126-C1191 HydrophobicContact CD1-CB 3.74Å; F1126-C1191 HydrophobicContact CD2-CB 3.85Å; F1126-C1191 HydrophobicContact CE1-CB 4.36Å; F1126-C1191 HydrophobicContact CE2-CB 4.48Å; F1126-C1191 HydrophobicContact CG-CB 3.46Å; F1126-C1191 VanDerWaalsContact CG-CB 3.46Å |
| 1192 | G | 77.8 | Confident | 85.3 | Confident | 9 Ų | 9 | 42 Ų | 42 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 100.9 | 167.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E844 H1130 P1194 | E844-G1192 VanDerWaalsContact OE2-CA 3.31Å; E844-G1192 WeakPolarHBondContact OE2-CA 3.37Å; H1130-G1192 PolarHBondContact CD2-O 2.94Å; G1192-P1194 WeakPolarHBondContact O-CD 3.48Å |
| 1193 | D | 83.1 | Confident | 85.3 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | trans | -57.8 | 123.1 | -169.2 | -175.9 | -14.3 | 0 | 0 | 0 | 110.6 | E844 K1195 T1196 I1197 | E844-D1193 PolarHBondContact OE2-N 3Å; D1193-K1195 PolarHBondContact O-N 3.4Å; D1193-K1195 VanDerWaalsContact OD1-CB 3.32Å; D1193-K1195 WeakPolarHBondContact OD1-CB 3.17Å; D1193-K1195 WeakPolarHBondContact OD1-CG 3.48Å; D1193-K1195 PolarHBondContact OD1-N 2.81Å; D1193-T1196 WeakPolarHBondContact O-CA 3.25Å; D1193-T1196 WeakPolarHBondContact O-CB 3.45Å; D1193-T1196 PolarHBondContact O-N 3.43Å; D1193-I1197 PolarHBondContact O-N 3.12Å | ||
| 1194 | P | 87.5 | Confident | 85.4 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.8 | -25.5 | 174.6 | -28.8 | 36.7 | 0 | 0 | 0 | 114.5 | H1130 W1132 G1192 I1197 L1198 L1231 L1264 | H1130-P1194 HydrophobicContact CB-CG 4.45Å; W1132-P1194 HydrophobicContact CH2-CB 3.96Å; W1132-P1194 HydrophobicContact CZ2-CB 3.73Å; W1132-P1194 HydrophobicContact CZ2-CG 4.28Å; G1192-P1194 WeakPolarHBondContact O-CD 3.48Å; P1194-I1197 PolarHBondContact O-N 2.52Å; P1194-L1198 PolarHBondContact O-N 2.99Å; P1194-L1231 HydrophobicContact CB-CD2 3.69Å; P1194-L1231 WeakPolarHBondContact O-CD2 3.15Å; P1194-L1264 HydrophobicContact CB-CD2 3.95Å; P1194-L1264 HydrophobicContact CG-CD1 4.31Å; P1194-L1264 HydrophobicContact CG-CD2 3.98Å |
| 1195 | K | 85.7 | Confident | 85.8 | Confident | 138 Ų | 138 | 42.2 Ų | 42.2 | 60% | 0.6 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.1 | -34.4 | 172.5 | -63.4 | 173.6 | -175.3 | 168.8 | 0 | 113 | D1193 I1197 L1198 S1199 L1231 | D1193-K1195 PolarHBondContact O-N 3.4Å; D1193-K1195 VanDerWaalsContact OD1-CB 3.32Å; D1193-K1195 WeakPolarHBondContact OD1-CB 3.17Å; D1193-K1195 WeakPolarHBondContact OD1-CG 3.48Å; D1193-K1195 PolarHBondContact OD1-N 2.81Å; K1195-I1197 VanDerWaalsContact C-N 3.31Å; K1195-L1198 WeakPolarHBondContact O-CB 3.46Å; K1195-L1198 PolarHBondContact O-N 2.8Å; K1195-S1199 PolarHBondContact O-N 2.9Å; K1195-S1199 PolarHBondContact O-OG 3.37Å; K1195-L1231 HydrophobicContact CG-CD1 4.26Å |
| 1196 | T | 82 | Confident | 86.1 | Confident | 70 Ų | 70 | 42.1 Ų | 42.1 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.5 | -38 | 173.7 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | D1193 L1198 S1199 D1200 | D1193-T1196 WeakPolarHBondContact O-CA 3.25Å; D1193-T1196 WeakPolarHBondContact O-CB 3.45Å; D1193-T1196 PolarHBondContact O-N 3.43Å; T1196-L1198 VanDerWaalsContact C-N 3.35Å; T1196-S1199 WeakPolarHBondContact CA-OG 3.47Å; T1196-S1199 PolarHBondContact O-N 2.68Å; T1196-S1199 PolarHBondContact O-OG 2.73Å; T1196-D1200 PolarHBondContact O-N 2.78Å |
| 1197 | I | 87.3 | Confident | 87 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -34 | 172.9 | -66 | 170.9 | 0 | 0 | 0 | 111.4 | W1132 M1190 D1193 P1194 K1195 D1200 P1201 V1229 L1262 | W1132-I1197 HydrophobicContact CH2-CB 4.1Å; W1132-I1197 HydrophobicContact CH2-CG2 3.75Å; W1132-I1197 HydrophobicContact CZ2-CB 3.92Å; W1132-I1197 HydrophobicContact CZ2-CD1 3.62Å; W1132-I1197 HydrophobicContact CZ2-CG1 4.35Å; W1132-I1197 HydrophobicContact CZ2-CG2 3.78Å; W1132-I1197 HydrophobicContact CZ3-CG2 4.32Å; M1190-I1197 HydrophobicContact CB-CD1 4.05Å; M1190-I1197 HydrophobicContact CE-CD1 4.26Å; M1190-I1197 HydrophobicContact SD-CD1 4.34Å; D1193-I1197 PolarHBondContact O-N 3.12Å; P1194-I1197 PolarHBondContact O-N 2.52Å; K1195-I1197 VanDerWaalsContact C-N 3.31Å; I1197-D1200 CarbonylContact O-C 3.47Å; I1197-P1201 WeakPolarHBondContact O-CA 3.27Å; I1197-P1201 WeakPolarHBondContact O-CB 3.48Å; I1197-P1201 WeakPolarHBondContact O-CD 3.45Å; I1197-V1229 HydrophobicContact CG2-CG1 4.38Å; I1197-L1262 HydrophobicContact CG2-CD2 3.96Å |
| 1198 | L | 88 | Confident | 88 | Confident | 81 Ų | 81 | 34.5 Ų | 34.5 | 42% | 0.424 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 172.4 | 174.8 | 63 | 0 | 0 | 0 | 112.6 | P1194 K1195 T1196 V1229 L1231 | P1194-L1198 PolarHBondContact O-N 2.99Å; K1195-L1198 WeakPolarHBondContact O-CB 3.46Å; K1195-L1198 PolarHBondContact O-N 2.8Å; T1196-L1198 VanDerWaalsContact C-N 3.35Å; L1198-V1229 HydrophobicContact CB-CB 4.49Å; L1198-V1229 HydrophobicContact CB-CG1 4.19Å; L1198-V1229 HydrophobicContact CD1-CB 3.76Å; L1198-V1229 HydrophobicContact CD1-CG1 4.18Å; L1198-L1231 HydrophobicContact CB-CD2 4.38Å; L1198-L1231 HydrophobicContact CD2-CD1 3.87Å; L1198-L1231 HydrophobicContact CD2-CG 4.21Å |
| 1199 | S | 83.5 | Confident | 88.4 | Confident | 97 Ų | 97 | 34.6 Ų | 34.6 | 68% | 0.678 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -79.8 | -38.1 | 179 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | K1195 T1196 | K1195-S1199 PolarHBondContact O-N 2.9Å; K1195-S1199 PolarHBondContact O-OG 3.37Å; T1196-S1199 WeakPolarHBondContact CA-OG 3.47Å; T1196-S1199 PolarHBondContact O-N 2.68Å; T1196-S1199 PolarHBondContact O-OG 2.73Å |
| 1200 | D | 86.1 | Confident | 88.9 | Confident | 56 Ų | 56 | 29.1 Ų | 29.1 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -134.1 | 91.9 | 171.2 | 174.6 | 70.7 | 0 | 0 | 0 | 108.4 | R824 T1196 I1197 | R824-D1200 IonicContact CZ-OD2 2.68Å; R824-D1200 IonicContact NH1-OD2 3.24Å; R824-D1200 PolarHBondContact NH1-OD2 3.17Å; R824-D1200 PolarHBondContact NH2-O 2.9Å; R824-D1200 IonicContact NH2-OD2 2.67Å; R824-D1200 PolarHBondContact NH2-OD2 2.88Å; T1196-D1200 PolarHBondContact O-N 2.78Å; I1197-D1200 CarbonylContact O-C 3.47Å |
| 1201 | P | 91.2 | Very high | 89.2 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 150.6 | 173.5 | 25.4 | -28.9 | 0 | 0 | 0 | 111.3 | I1197 T1226 P1227 V1229 | I1197-P1201 WeakPolarHBondContact O-CA 3.27Å; I1197-P1201 WeakPolarHBondContact O-CB 3.48Å; I1197-P1201 WeakPolarHBondContact O-CD 3.45Å; P1201-T1226 HydrophobicContact CG-CG2 3.49Å; P1201-T1226 VanDerWaalsContact CG-CG2 3.49Å; P1201-P1227 HydrophobicContact CB-CG 4.03Å; P1201-P1227 HydrophobicContact CG-CG 4.5Å; P1201-V1229 HydrophobicContact CB-CG2 3.52Å; P1201-V1229 HydrophobicContact CG-CG2 3.79Å |
| 1202 | P | 92.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 140 | 168.6 | -12.7 | 24.2 | 0 | 0 | 0 | 110.6 | F1161 Q1162 M1190 P1227 | F1161-P1202 HydrophobicContact CE2-CB 3.77Å; F1161-P1202 HydrophobicContact CE2-CG 4.22Å; F1161-P1202 WeakPolarHBondContact CE2-O 3.1Å; F1161-P1202 HydrophobicContact CZ-CB 4.13Å; F1161-P1202 HydrophobicContact CZ-CG 4.07Å; Q1162-P1202 HydrophobicContact CG-CB 4.35Å; Q1162-P1202 HydrophobicContact CG-CG 4.3Å; Q1162-P1202 VanDerWaalsContact NE2-CB 3.28Å; M1190-P1202 HydrophobicContact SD-CG 3.91Å; P1202-P1227 WeakPolarHBondContact O-CD 3.36Å |
| 1203 | P | 94.2 | Very high | 89.2 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 143.9 | 174.2 | 29.7 | -33.9 | 0 | 0 | 0 | 110.9 | T800 Q1224 I1225 | T800-P1203 HydrophobicContact CG2-CG 3.81Å; T800-P1203 VanDerWaalsContact OG1-CD 3.23Å; T800-P1203 WeakPolarHBondContact OG1-CD 3.45Å; P1203-Q1224 HydrophobicContact CB-CB 4.19Å; P1203-I1225 CarbonylContact C-O 3.58Å; P1203-I1225 WeakPolarHBondContact CA-O 3.36Å |
| 1204 | V | 95 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129.2 | 164.5 | -172 | 0 | 0 | 0 | 0 | 108.4 | L1134 C1159 F1161 I1206 Q1224 I1225 P1227 F1260 | L1134-V1204 HydrophobicContact CD1-CG2 4.07Å; L1134-V1204 HydrophobicContact CD2-CG1 4.44Å; L1134-V1204 HydrophobicContact CD2-CG2 3.87Å; C1159-V1204 WeakPolarHBondContact SG-CG1 3.48Å; F1161-V1204 HydrophobicContact CD2-CB 4.48Å; F1161-V1204 HydrophobicContact CD2-CG2 3.83Å; F1161-V1204 HydrophobicContact CE2-CG2 4.26Å; V1204-I1206 HydrophobicContact CG1-CD1 4.01Å; V1204-Q1224 WeakPolarHBondContact O-CA 3.46Å; V1204-I1225 PolarHBondContact N-O 3.4Å; V1204-I1225 PolarHBondContact O-N 3.03Å; V1204-P1227 HydrophobicContact CG2-CB 4.18Å; V1204-P1227 HydrophobicContact CG2-CG 4.23Å; V1204-F1260 HydrophobicContact CB-CD1 4.21Å; V1204-F1260 HydrophobicContact CB-CE1 4.4Å; V1204-F1260 HydrophobicContact CG1-CD1 3.97Å; V1204-F1260 HydrophobicContact CG1-CE1 3.86Å; V1204-F1260 HydrophobicContact CG2-CD1 3.99Å; V1204-F1260 HydrophobicContact CG2-CG 4.42Å |
| 1205 | M | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.1 | 173.5 | -70.7 | -60.8 | -58.9 | 0 | 0 | 109.8 | M569 I819 Q822 C1159 S1160 Q1224 | M569-M1205 HydrophobicContact CE-CB 4.42Å; M569-M1205 HydrophobicContact CE-CE 4.46Å; M569-M1205 HydrophobicContact CE-CG 4.46Å; M569-M1205 HydrophobicContact CG-CG 4.42Å; I819-M1205 HydrophobicContact CD1-CE 3.68Å; Q822-M1205 PolarHBondContact NE2-SD 3.45Å; C1159-M1205 CarbonylContact C-O 3.57Å; C1159-M1205 WeakPolarHBondContact CA-O 3.38Å; S1160-M1205 PolarHBondContact N-O 3.3Å; S1160-M1205 PolarHBondContact O-N 3.46Å; M1205-Q1224 HydrophobicContact CE-CG 4.28Å; M1205-Q1224 HydrophobicContact SD-CB 4.43Å; M1205-Q1224 HydrophobicContact SD-CG 3.61Å; M1205-Q1224 PolarHBondContact SD-NE2 3.34Å |
| 1206 | I | 95.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.4 | 174.5 | -62.7 | -53.4 | 0 | 0 | 0 | 108.8 | I1138 V1157 C1159 V1204 R1222 L1223 I1225 I1256 F1260 | I1138-I1206 HydrophobicContact CD1-CD1 4.42Å; V1157-I1206 HydrophobicContact CG1-CD1 4.4Å; V1157-I1206 HydrophobicContact CG1-CG2 3.9Å; C1159-I1206 HydrophobicContact CB-CD1 3.75Å; C1159-I1206 VanDerWaalsContact SG-CD1 3.6Å; V1204-I1206 HydrophobicContact CG1-CD1 4.01Å; I1206-R1222 CarbonylContact O-C 3.04Å; I1206-R1222 WeakPolarHBondContact O-CA 3.38Å; I1206-R1222 VanDerWaalsContact O-CB 3.27Å; I1206-R1222 WeakPolarHBondContact O-CB 3.42Å; I1206-L1223 HydrophobicContact CB-CD2 3.72Å; I1206-L1223 HydrophobicContact CB-CG 4.03Å; I1206-L1223 HydrophobicContact CG2-CD2 3.57Å; I1206-L1223 HydrophobicContact CG2-CG 4.37Å; I1206-L1223 PolarHBondContact N-O 3.05Å; I1206-L1223 PolarHBondContact O-N 3.31Å; I1206-I1225 HydrophobicContact CG1-CD1 4.09Å; I1206-I1256 HydrophobicContact CG2-CD1 4.02Å; I1206-F1260 HydrophobicContact CD1-CE1 3.81Å; I1206-F1260 HydrophobicContact CD1-CZ 3.81Å; I1206-F1260 HydrophobicContact CG1-CE1 4.3Å; I1206-F1260 HydrophobicContact CG1-CZ 3.89Å |
| 1207 | E | 94.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.3 | 176.7 | -57.2 | -171.1 | 127.1 | 0 | 0 | 109.6 | Y614 R1158 F1209 F1219 R1222 | Y614-E1207 WeakPolarHBondContact CE2-OE2 3.3Å; Y614-E1207 PolarHBondContact OH-OE1 2.86Å; Y614-E1207 PolarHBondContact OH-OE2 2.76Å; R1158-E1207 HydrophobicContact CB-CB 4.47Å; R1158-E1207 PolarHBondContact N-O 3.1Å; R1158-E1207 PolarHBondContact O-N 3.37Å; E1207-F1209 HydrophobicContact CB-CD2 4.26Å; E1207-F1209 HydrophobicContact CB-CE2 3.49Å; E1207-F1209 VanDerWaalsContact CB-CE2 3.49Å; E1207-F1209 HydrophobicContact CB-CZ 4.14Å; E1207-F1219 HydrophobicContact CB-CE2 4.38Å; E1207-R1222 HydrophobicContact CB-CB 4.48Å; E1207-R1222 HydrophobicContact CG-CB 3.96Å; E1207-R1222 IonicContact OE1-CZ 3.38Å; E1207-R1222 VanDerWaalsContact OE1-CZ 3.25Å; E1207-R1222 IonicContact OE1-NE 2.68Å; E1207-R1222 PolarHBondContact OE1-NE 2.57Å; E1207-R1222 IonicContact OE1-NH2 3.36Å; E1207-R1222 PolarHBondContact OE1-NH2 3.07Å |
| 1208 | L | 94.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.4 | 178.9 | -170.4 | 74.2 | 0 | 0 | 0 | 109.7 | V1144 P1155 F1156 V1157 W1179 L1220 G1221 I1246 | V1144-L1208 HydrophobicContact CB-CD2 4.23Å; V1144-L1208 HydrophobicContact CG1-CD2 3.59Å; V1144-L1208 HydrophobicContact CG2-CD2 3.68Å; P1155-L1208 HydrophobicContact CB-CD1 4.29Å; F1156-L1208 WeakPolarHBondContact O-CD1 3.33Å; V1157-L1208 HydrophobicContact CG2-CD1 3.54Å; W1179-L1208 HydrophobicContact CH2-CD1 3.75Å; W1179-L1208 HydrophobicContact CZ2-CD1 4.11Å; L1208-L1220 HydrophobicContact CB-CB 4.33Å; L1208-L1220 HydrophobicContact CD2-CB 4.15Å; L1208-L1220 HydrophobicContact CD2-CD1 4.2Å; L1208-L1220 HydrophobicContact CG-CB 4.21Å; L1208-L1220 HydrophobicContact CG-CD1 4.24Å; L1208-L1220 WeakPolarHBondContact O-CB 3.35Å; L1208-L1220 PolarHBondContact O-N 3.06Å; L1208-G1221 PolarHBondContact N-O 3.1Å; L1208-G1221 PolarHBondContact O-N 2.87Å; L1208-I1246 HydrophobicContact CB-CD1 4.5Å; L1208-I1246 HydrophobicContact CD2-CD1 3.81Å |
| 1209 | F | 93.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 150.4 | -178.1 | -68.6 | -86.4 | 0 | 0 | 0 | 111.3 | W817 P1155 F1156 R1158 E1207 D1217 H1218 F1219 | W817-F1209 HydrophobicContact CE3-CZ 4.48Å; W817-F1209 AromaticContact CH2-CE1 3.44Å; W817-F1209 HydrophobicContact CH2-CE1 3.44Å; W817-F1209 VanDerWaalsContact CH2-CE1 3.44Å; W817-F1209 AromaticContact CH2-CZ 3.47Å; W817-F1209 HydrophobicContact CH2-CZ 3.47Å; W817-F1209 VanDerWaalsContact CH2-CZ 3.47Å; W817-F1209 AromaticContact CZ2-CE1 3.75Å; W817-F1209 HydrophobicContact CZ2-CE1 3.75Å; W817-F1209 HydrophobicContact CZ2-CZ 4.26Å; W817-F1209 AromaticContact CZ3-CE1 3.89Å; W817-F1209 HydrophobicContact CZ3-CE1 3.89Å; W817-F1209 AromaticContact CZ3-CZ 3.6Å; W817-F1209 HydrophobicContact CZ3-CZ 3.6Å; P1155-F1209 CarbonylContact C-O 3.57Å; P1155-F1209 VanDerWaalsContact CA-O 3.23Å; P1155-F1209 WeakPolarHBondContact CA-O 3.21Å; F1156-F1209 HydrophobicContact CD1-CB 4.01Å; F1156-F1209 HydrophobicContact CE1-CB 3.45Å; F1156-F1209 VanDerWaalsContact CE1-CB 3.45Å; F1156-F1209 HydrophobicContact CE1-CG 4.43Å; F1156-F1209 HydrophobicContact CE2-CB 4.14Å; F1156-F1209 HydrophobicContact CE2-CD2 4.21Å; F1156-F1209 HydrophobicContact CE2-CG 4.48Å; F1156-F1209 HydrophobicContact CZ-CB 3.53Å; F1156-F1209 HydrophobicContact CZ-CD2 4.23Å; F1156-F1209 HydrophobicContact CZ-CG 4.05Å; F1156-F1209 PolarHBondContact N-O 3.31Å; F1156-F1209 PolarHBondContact O-N 2.91Å; R1158-F1209 HydrophobicContact CB-CD2 4.26Å; R1158-F1209 HydrophobicContact CB-CE2 4.08Å; E1207-F1209 HydrophobicContact CB-CD2 4.26Å; E1207-F1209 HydrophobicContact CB-CE2 3.49Å; E1207-F1209 VanDerWaalsContact CB-CE2 3.49Å; E1207-F1209 HydrophobicContact CB-CZ 4.14Å; F1209-D1217 HydrophobicContact CB-CB 4.25Å; F1209-D1217 HydrophobicContact CD1-CB 4.22Å; F1209-H1218 WeakPolarHBondContact CA-O 3.23Å; F1209-F1219 HydrophobicContact CD1-CB 4.16Å; F1209-F1219 HydrophobicContact CD1-CD2 4.37Å; F1209-F1219 HydrophobicContact CE1-CB 3.9Å; F1209-F1219 AromaticContact CE1-CD2 3.75Å; F1209-F1219 HydrophobicContact CE1-CD2 3.75Å; F1209-F1219 HydrophobicContact CE1-CG 4.33Å; F1209-F1219 AromaticContact CZ-CD2 3.87Å; F1209-F1219 HydrophobicContact CZ-CD2 3.87Å |
| 1210 | D | 93 | Very high | 88.1 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.1 | 164.6 | -177.1 | 55.8 | 0 | 0 | 0 | 108.6 | A1147 S1153 D1154 D1217 H1218 L1220 | A1147-D1210 HydrophobicContact CB-CB 4.05Å; A1147-D1210 WeakPolarHBondContact CB-OD2 3.48Å; S1153-D1210 WeakPolarHBondContact CA-OD1 3.11Å; S1153-D1210 WeakPolarHBondContact CB-OD1 3.4Å; S1153-D1210 VanDerWaalsContact OG-CG 3.23Å; S1153-D1210 PolarHBondContact OG-OD1 3.47Å; D1154-D1210 PolarHBondContact N-OD1 2.96Å; D1210-D1217 CarbonylContact O-C 3.55Å; D1210-D1217 VanDerWaalsContact O-CA 3.22Å; D1210-D1217 WeakPolarHBondContact O-CA 3.4Å; D1210-D1217 WeakPolarHBondContact O-CB 3.34Å; D1210-H1218 HydrophobicContact CB-CB 4.18Å; D1210-H1218 WeakPolarHBondContact CB-O 3.35Å; D1210-H1218 PolarHBondContact N-O 3.41Å; D1210-H1218 PolarHBondContact O-N 3.47Å; D1210-L1220 HydrophobicContact CB-CD1 4.04Å; D1210-L1220 HydrophobicContact CB-CD2 3.97Å; D1210-L1220 HydrophobicContact CB-CG 4.11Å |
| 1211 | Y | 92 | Very high | 88.4 | Confident | 88 Ų | 88 | 39.3 Ų | 39.3 | 35% | 0.345 | 21% | 0.21 | S | C | . | . | trans | -74.5 | 131.3 | 179.2 | 173 | -104.3 | 0 | 0 | 0 | 111.7 | D1154 I1170 D1217 | D1154-Y1211 WeakPolarHBondContact O-CB 3.46Å; D1154-Y1211 PolarHBondContact O-N 2.8Å; I1170-Y1211 HydrophobicContact CD1-CD1 3.99Å; I1170-Y1211 HydrophobicContact CD1-CD2 3.58Å; I1170-Y1211 HydrophobicContact CD1-CE1 4.43Å; I1170-Y1211 HydrophobicContact CD1-CE2 4.08Å; I1170-Y1211 HydrophobicContact CD1-CG 3.52Å; I1170-Y1211 HydrophobicContact CG1-CD2 4.47Å; I1170-Y1211 HydrophobicContact CG1-CG 4.16Å; I1170-Y1211 HydrophobicContact CG2-CD1 4.23Å; I1170-Y1211 HydrophobicContact CG2-CG 4.17Å; Y1211-D1217 WeakPolarHBondContact CD2-OD1 3.44Å | ||
| 1212 | D | 83.9 | Confident | 88.5 | Confident | 50 Ų | 50 | 40.8 Ų | 40.8 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | trans | -125 | 118 | -173.2 | -131.9 | -21.9 | 0 | 0 | 0 | 110.5 | L1214 S1215 D1217 | D1212-L1214 VanDerWaalsContact C-N 3.34Å; D1212-L1214 PolarHBondContact O-N 3.32Å; D1212-S1215 PolarHBondContact OD1-OG 2.83Å; D1212-S1215 WeakPolarHBondContact OD2-CB 3.22Å; D1212-S1215 PolarHBondContact OD2-OG 2.83Å; D1212-D1217 PolarHBondContact N-OD1 2.89Å | ||
| 1213 | Q | 77.2 | Confident | 88.6 | Confident | 164 Ų | 164 | 41.6 Ų | 41.6 | 77% | 0.766 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -70.9 | -28.2 | -174 | -168.6 | 179.9 | 23.2 | 0 | 0 | 113.5 | ||
| 1214 | L | 74.6 | Confident | 88.4 | Confident | 168 Ų | 168 | 45 Ų | 45 | 88% | 0.88 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -120.1 | -2 | -173.5 | -64.6 | 175.4 | 0 | 0 | 0 | 113.6 | D1212 | D1212-L1214 VanDerWaalsContact C-N 3.34Å; D1212-L1214 PolarHBondContact O-N 3.32Å |
| 1215 | S | 67.7 | Low | 88.2 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -124.8 | -178.3 | 178.8 | -13.2 | 0 | 0 | 0 | 0 | 110.3 | D1212 | D1212-S1215 PolarHBondContact OD1-OG 2.83Å; D1212-S1215 WeakPolarHBondContact OD2-CB 3.22Å; D1212-S1215 PolarHBondContact OD2-OG 2.83Å |
| 1216 | S | 77.5 | Confident | 87.9 | Confident | 105 Ų | 105 | 50 Ų | 50 | 73% | 0.734 | 26% | 0.263 | S | S | * | . | trans | -79.8 | 134.3 | 160.8 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | H1218 | S1216-H1218 PolarHBondContact O-N 3.31Š| ||
| 1217 | D | 84.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | trans | -40.8 | 129.6 | 176.6 | -51.2 | -41.4 | 0 | 0 | 0 | 113.1 | F1156 F1209 D1210 Y1211 D1212 | F1156-D1217 HydrophobicContact CE1-CB 4.15Å; F1156-D1217 HydrophobicContact CZ-CB 4.23Å; F1209-D1217 HydrophobicContact CB-CB 4.25Å; F1209-D1217 HydrophobicContact CD1-CB 4.22Å; D1210-D1217 CarbonylContact O-C 3.55Å; D1210-D1217 VanDerWaalsContact O-CA 3.22Å; D1210-D1217 WeakPolarHBondContact O-CA 3.4Å; D1210-D1217 WeakPolarHBondContact O-CB 3.34Å; Y1211-D1217 WeakPolarHBondContact CD2-OD1 3.44Å; D1212-D1217 PolarHBondContact N-OD1 2.89Å | ||
| 1218 | H | 88 | Confident | 87.6 | Confident | 77 Ų | 77 | 52 Ų | 52 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.7 | -173.3 | 170.7 | -110.8 | 0 | 0 | 0 | 111.5 | A1147 F1209 D1210 S1216 L1220 K1248 | A1147-H1218 WeakPolarHBondContact CB-ND1 3.26Å; F1209-H1218 WeakPolarHBondContact CA-O 3.23Å; D1210-H1218 HydrophobicContact CB-CB 4.18Å; D1210-H1218 WeakPolarHBondContact CB-O 3.35Å; D1210-H1218 PolarHBondContact N-O 3.41Å; D1210-H1218 PolarHBondContact O-N 3.47Å; S1216-H1218 PolarHBondContact O-N 3.31Å; H1218-L1220 PolarHBondContact O-N 3.43Å; H1218-K1248 PolarHBondContact CE1-NZ 2.95Å; H1218-K1248 VanDerWaalsContact CE1-NZ 3.29Å; H1218-K1248 PolarHBondContact NE2-NZ 2.75Å; H1218-K1248 VanDerWaalsContact NE2-NZ 3.14Å |
| 1219 | F | 90.9 | Very high | 87.4 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 122.4 | -176.7 | 176.6 | -101.4 | 0 | 0 | 0 | 112.4 | W817 E1207 F1209 G1221 R1222 K1248 | W817-F1219 HydrophobicContact CB-CD1 3.37Å; W817-F1219 HydrophobicContact CB-CD2 4.48Å; W817-F1219 HydrophobicContact CB-CE1 3.49Å; W817-F1219 VanDerWaalsContact CB-CE1 3.49Å; W817-F1219 HydrophobicContact CB-CG 3.9Å; W817-F1219 HydrophobicContact CB-CZ 4.09Å; W817-F1219 HydrophobicContact CD2-CB 3.67Å; W817-F1219 HydrophobicContact CD2-CD1 4.01Å; W817-F1219 AromaticContact CD2-CD2 3.7Å; W817-F1219 HydrophobicContact CD2-CD2 3.7Å; W817-F1219 HydrophobicContact CD2-CE2 4.26Å; W817-F1219 AromaticContact CD2-CG 3.52Å; W817-F1219 HydrophobicContact CD2-CG 3.52Å; W817-F1219 HydrophobicContact CE3-CB 4.26Å; W817-F1219 HydrophobicContact CE3-CD1 4.38Å; W817-F1219 AromaticContact CE3-CD2 3.41Å; W817-F1219 HydrophobicContact CE3-CD2 3.41Å; W817-F1219 VanDerWaalsContact CE3-CD2 3.41Å; W817-F1219 AromaticContact CE3-CE2 3.68Å; W817-F1219 HydrophobicContact CE3-CE2 3.68Å; W817-F1219 AromaticContact CE3-CG 3.78Å; W817-F1219 HydrophobicContact CE3-CG 3.78Å; W817-F1219 HydrophobicContact CE3-CZ 4.27Å; W817-F1219 HydrophobicContact CG-CB 3.76Å; W817-F1219 AromaticContact CG-CD1 3.56Å; W817-F1219 HydrophobicContact CG-CD1 3.56Å; W817-F1219 HydrophobicContact CG-CD2 4.17Å; W817-F1219 HydrophobicContact CG-CE1 4.12Å; W817-F1219 AromaticContact CG-CG 3.57Å; W817-F1219 HydrophobicContact CG-CG 3.57Å; W817-F1219 HydrophobicContact CZ2-CB 4.31Å; W817-F1219 AromaticContact CZ3-CD2 3.92Å; W817-F1219 HydrophobicContact CZ3-CD2 3.92Å; W817-F1219 HydrophobicContact CZ3-CE2 4.29Å; E1207-F1219 HydrophobicContact CB-CE2 4.38Å; F1209-F1219 HydrophobicContact CD1-CB 4.16Å; F1209-F1219 HydrophobicContact CD1-CD2 4.37Å; F1209-F1219 HydrophobicContact CE1-CB 3.9Å; F1209-F1219 AromaticContact CE1-CD2 3.75Å; F1209-F1219 HydrophobicContact CE1-CD2 3.75Å; F1209-F1219 HydrophobicContact CE1-CG 4.33Å; F1209-F1219 AromaticContact CZ-CD2 3.87Å; F1209-F1219 HydrophobicContact CZ-CD2 3.87Å; F1219-G1221 VanDerWaalsContact CE1-CA 3.5Å; F1219-G1221 VanDerWaalsContact CE2-C 3.47Å; F1219-G1221 VanDerWaalsContact CE2-O 3.26Å; F1219-G1221 WeakPolarHBondContact CE2-O 3.17Å; F1219-R1222 HydrophobicContact CE2-CB 4.06Å; F1219-R1222 HydrophobicContact CZ-CB 3.88Å; F1219-R1222 HydrophobicContact CZ-CG 4.13Å; F1219-K1248 HydrophobicContact CD1-CG 4.48Å; F1219-K1248 HydrophobicContact CE1-CG 4.37Å; F1219-K1248 WeakPolarHBondContact O-CE 3.33Å; F1219-K1248 PolarHBondContact O-NZ 3.34Å |
| 1220 | L | 89.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -26 | -178.9 | -55.2 | -175.8 | 0 | 0 | 0 | 112.6 | V1144 L1145 A1147 L1208 D1210 H1218 K1248 | V1144-L1220 HydrophobicContact CG1-CD1 3.44Å; V1144-L1220 VanDerWaalsContact CG1-CD1 3.44Å; L1145-L1220 HydrophobicContact CB-CD2 4.27Å; L1145-L1220 WeakPolarHBondContact CD1-O 3.36Å; L1145-L1220 WeakPolarHBondContact O-CD2 3.22Å; A1147-L1220 HydrophobicContact CB-CD2 4.03Å; L1208-L1220 HydrophobicContact CB-CB 4.33Å; L1208-L1220 HydrophobicContact CD2-CB 4.15Å; L1208-L1220 HydrophobicContact CD2-CD1 4.2Å; L1208-L1220 HydrophobicContact CG-CB 4.21Å; L1208-L1220 HydrophobicContact CG-CD1 4.24Å; L1208-L1220 WeakPolarHBondContact O-CB 3.35Å; L1208-L1220 PolarHBondContact O-N 3.06Å; D1210-L1220 HydrophobicContact CB-CD1 4.04Å; D1210-L1220 HydrophobicContact CB-CD2 3.97Å; D1210-L1220 HydrophobicContact CB-CG 4.11Å; H1218-L1220 PolarHBondContact O-N 3.43Å; L1220-K1248 WeakPolarHBondContact O-CD 3.12Å |
| 1221 | G | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1208 F1219 E1247 | L1208-G1221 PolarHBondContact N-O 3.1Å; L1208-G1221 PolarHBondContact O-N 2.87Å; F1219-G1221 VanDerWaalsContact CE1-CA 3.5Å; F1219-G1221 VanDerWaalsContact CE2-C 3.47Å; F1219-G1221 VanDerWaalsContact CE2-O 3.26Å; F1219-G1221 WeakPolarHBondContact CE2-O 3.17Å; G1221-E1247 CarbonylContact C-O 3.57Å; G1221-E1247 VanDerWaalsContact CA-O 3.23Å; G1221-E1247 WeakPolarHBondContact CA-O 3.31Å |
| 1222 | R | 93.8 | Very high | 86.3 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 172.5 | 174.4 | 76.2 | 158.6 | 63.1 | 89.1 | 2.3 | 113.9 | W817 I1206 E1207 F1219 E1247 | W817-R1222 VanDerWaalsContact O-CZ 3.22Å; W817-R1222 PolarHBondContact O-NH1 2.85Å; W817-R1222 PolarHBondContact O-NH2 2.85Å; I1206-R1222 CarbonylContact O-C 3.04Å; I1206-R1222 WeakPolarHBondContact O-CA 3.38Å; I1206-R1222 VanDerWaalsContact O-CB 3.27Å; I1206-R1222 WeakPolarHBondContact O-CB 3.42Å; E1207-R1222 HydrophobicContact CB-CB 4.48Å; E1207-R1222 HydrophobicContact CG-CB 3.96Å; E1207-R1222 IonicContact OE1-CZ 3.38Å; E1207-R1222 VanDerWaalsContact OE1-CZ 3.25Å; E1207-R1222 IonicContact OE1-NE 2.68Å; E1207-R1222 PolarHBondContact OE1-NE 2.57Å; E1207-R1222 IonicContact OE1-NH2 3.36Å; E1207-R1222 PolarHBondContact OE1-NH2 3.07Å; F1219-R1222 HydrophobicContact CE2-CB 4.06Å; F1219-R1222 HydrophobicContact CZ-CB 3.88Å; F1219-R1222 HydrophobicContact CZ-CG 4.13Å; R1222-E1247 PolarHBondContact N-O 3.09Å; R1222-E1247 PolarHBondContact O-N 3Å |
| 1223 | L | 93.3 | Very high | 86 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 168 | 167.7 | 60.9 | 166.6 | 0 | 0 | 0 | 111.2 | I1206 I1225 Y1244 I1246 I1256 | I1206-L1223 HydrophobicContact CB-CD2 3.72Å; I1206-L1223 HydrophobicContact CB-CG 4.03Å; I1206-L1223 HydrophobicContact CG2-CD2 3.57Å; I1206-L1223 HydrophobicContact CG2-CG 4.37Å; I1206-L1223 PolarHBondContact N-O 3.05Å; I1206-L1223 PolarHBondContact O-N 3.31Å; L1223-I1225 HydrophobicContact CD1-CD1 3.73Å; L1223-I1225 HydrophobicContact CD1-CG1 3.88Å; L1223-I1225 HydrophobicContact CG-CD1 4.29Å; L1223-I1225 HydrophobicContact CG-CG1 4.27Å; L1223-Y1244 HydrophobicContact CD1-CG 4.12Å; L1223-I1246 HydrophobicContact CD2-CG1 3.83Å; L1223-I1256 HydrophobicContact CD1-CG2 3.97Å; L1223-I1256 HydrophobicContact CD2-CG2 4.16Å |
| 1224 | Q | 91.5 | Very high | 85.7 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135 | 172.6 | -50 | -162.1 | -104.6 | 0 | 0 | 108.4 | N802 P1203 V1204 M1205 | N802-Q1224 PolarHBondContact ND2-NE2 2.96Å; N802-Q1224 PolarHBondContact ND2-OE1 2.81Å; N802-Q1224 VanDerWaalsContact ND2-OE1 3.11Å; P1203-Q1224 HydrophobicContact CB-CB 4.19Å; V1204-Q1224 WeakPolarHBondContact O-CA 3.46Å; M1205-Q1224 HydrophobicContact CE-CG 4.28Å; M1205-Q1224 HydrophobicContact SD-CB 4.43Å; M1205-Q1224 HydrophobicContact SD-CG 3.61Å; M1205-Q1224 PolarHBondContact SD-NE2 3.34Å |
| 1225 | I | 90.2 | Very high | 85.3 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.8 | -177.3 | -58.7 | 173.4 | 0 | 0 | 0 | 110.6 | P1203 V1204 I1206 L1223 P1227 Y1244 F1260 | P1203-I1225 CarbonylContact C-O 3.58Å; P1203-I1225 WeakPolarHBondContact CA-O 3.36Å; V1204-I1225 PolarHBondContact N-O 3.4Å; V1204-I1225 PolarHBondContact O-N 3.03Å; I1206-I1225 HydrophobicContact CG1-CD1 4.09Å; L1223-I1225 HydrophobicContact CD1-CD1 3.73Å; L1223-I1225 HydrophobicContact CD1-CG1 3.88Å; L1223-I1225 HydrophobicContact CG-CD1 4.29Å; L1223-I1225 HydrophobicContact CG-CG1 4.27Å; I1225-P1227 WeakPolarHBondContact O-CD 3.48Å; I1225-Y1244 HydrophobicContact CD1-CD1 4.28Å; I1225-Y1244 HydrophobicContact CD1-CD2 3.63Å; I1225-Y1244 HydrophobicContact CD1-CE2 3.94Å; I1225-Y1244 HydrophobicContact CD1-CG 3.81Å; I1225-Y1244 HydrophobicContact CG1-CD1 4.24Å; I1225-Y1244 HydrophobicContact CG1-CD2 4.46Å; I1225-Y1244 HydrophobicContact CG1-CE1 4.49Å; I1225-Y1244 HydrophobicContact CG1-CG 4.24Å; I1225-Y1244 HydrophobicContact CG2-CE1 4.13Å; I1225-Y1244 HydrophobicContact CG2-CE2 4.39Å; I1225-F1260 HydrophobicContact CB-CD2 4.33Å; I1225-F1260 HydrophobicContact CB-CE2 4.29Å; I1225-F1260 HydrophobicContact CD1-CD2 4.16Å; I1225-F1260 HydrophobicContact CD1-CE2 3.36Å; I1225-F1260 HydrophobicContact CD1-CZ 3.84Å; I1225-F1260 HydrophobicContact CG1-CE2 4.42Å; I1225-F1260 HydrophobicContact CG2-CD2 3.66Å; I1225-F1260 HydrophobicContact CG2-CE2 3.98Å; I1225-F1260 HydrophobicContact CG2-CG 4.44Å |
| 1226 | T | 89.2 | Confident | 85 | Confident | 100 Ų | 100 | 50.5 Ų | 50.5 | 61% | 0.613 | 28% | 0.28 | S | S | * | . | trans | -77.8 | 117.5 | 174 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | P1201 | P1201-T1226 HydrophobicContact CG-CG2 3.49Å; P1201-T1226 VanDerWaalsContact CG-CG2 3.49Å | ||
| 1227 | P | 92.7 | Very high | 84.1 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | trans | -77.9 | 150.7 | -178.4 | 32.1 | -35.1 | 0 | 0 | 0 | 112.4 | L1134 F1161 P1201 P1202 V1204 I1225 V1229 F1260 L1262 | L1134-P1227 HydrophobicContact CD1-CB 3.89Å; L1134-P1227 HydrophobicContact CD1-CG 4.46Å; F1161-P1227 HydrophobicContact CE2-CG 4.5Å; P1201-P1227 HydrophobicContact CB-CG 4.03Å; P1201-P1227 HydrophobicContact CG-CG 4.5Å; P1202-P1227 WeakPolarHBondContact O-CD 3.36Å; V1204-P1227 HydrophobicContact CG2-CB 4.18Å; V1204-P1227 HydrophobicContact CG2-CG 4.23Å; I1225-P1227 WeakPolarHBondContact O-CD 3.48Å; P1227-V1229 PolarHBondContact O-N 2.86Å; P1227-F1260 HydrophobicContact CB-CB 3.91Å; P1227-L1262 HydrophobicContact CB-CB 4.18Å; P1227-L1262 HydrophobicContact CG-CB 4.23Å; P1227-L1262 HydrophobicContact CG-CD2 4.38Å | ||
| 1228 | A | 88.9 | Confident | 83 | Confident | 37 Ų | 37 | 54 Ų | 54 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 115.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1260 E1261 L1262 | A1228-F1260 WeakPolarHBondContact CB-O 3.01Å; A1228-F1260 PolarHBondContact N-O 3.12Å; A1228-E1261 CarbonylContact O-C 3.55Å; A1228-E1261 VanDerWaalsContact O-CA 3.29Å; A1228-E1261 WeakPolarHBondContact O-CA 3.44Å; A1228-L1262 PolarHBondContact O-N 2.85Å |
| 1229 | V | 90.6 | Very high | 82.1 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 136.3 | -173.7 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | W1132 I1197 L1198 P1201 P1227 L1231 L1262 | W1132-V1229 HydrophobicContact CH2-CG1 3.91Å; W1132-V1229 HydrophobicContact CZ3-CG1 3.65Å; I1197-V1229 HydrophobicContact CG2-CG1 4.38Å; L1198-V1229 HydrophobicContact CB-CB 4.49Å; L1198-V1229 HydrophobicContact CB-CG1 4.19Å; L1198-V1229 HydrophobicContact CD1-CB 3.76Å; L1198-V1229 HydrophobicContact CD1-CG1 4.18Å; P1201-V1229 HydrophobicContact CB-CG2 3.52Å; P1201-V1229 HydrophobicContact CG-CG2 3.79Å; P1227-V1229 PolarHBondContact O-N 2.86Å; V1229-L1231 HydrophobicContact CG1-CD2 4.33Å; V1229-L1262 CarbonylContact C-O 3.54Å; V1229-L1262 WeakPolarHBondContact CA-O 3.4Å; V1229-L1262 HydrophobicContact CG2-CD2 4.33Å |
| 1230 | R | 87.4 | Confident | 81.5 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.5 | 176.5 | -70.3 | 174.3 | 51.1 | -158.8 | -8.1 | 110.5 | D1232 T1235 W1237 E1261 L1262 L1264 | R1230-D1232 VanDerWaalsContact C-N 3.27Å; R1230-D1232 PolarHBondContact NH2-O 3.08Å; R1230-D1232 PolarHBondContact O-N 2.66Å; R1230-T1235 PolarHBondContact NE-O 3.26Å; R1230-T1235 PolarHBondContact NH2-O 2.84Å; R1230-W1237 HydrophobicContact CG-CD2 4.43Å; R1230-W1237 HydrophobicContact CG-CE3 4.01Å; R1230-W1237 HydrophobicContact CG-CH2 4.3Å; R1230-W1237 HydrophobicContact CG-CZ3 3.94Å; R1230-E1261 IonicContact NH1-OE2 3.23Å; R1230-E1261 PolarHBondContact NH1-OE2 3.2Å; R1230-L1262 PolarHBondContact N-O 2.93Å; R1230-L1264 PolarHBondContact O-N 2.86Å |
| 1231 | L | 88 | Confident | 81.3 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -85.8 | 2 | 177.6 | -55.8 | -172.1 | 0 | 0 | 0 | 113.2 | W1132 P1194 K1195 L1198 V1229 | W1132-L1231 HydrophobicContact CH2-CD2 3.73Å; W1132-L1231 HydrophobicContact CZ3-CD2 4.31Å; P1194-L1231 HydrophobicContact CB-CD2 3.69Å; P1194-L1231 WeakPolarHBondContact O-CD2 3.15Å; K1195-L1231 HydrophobicContact CG-CD1 4.26Å; L1198-L1231 HydrophobicContact CB-CD2 4.38Å; L1198-L1231 HydrophobicContact CD2-CD1 3.87Å; L1198-L1231 HydrophobicContact CD2-CG 4.21Å; V1229-L1231 HydrophobicContact CG1-CD2 4.33Å |
| 1232 | D | 81.7 | Confident | 81 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | trans | -147.7 | 156 | 179.9 | 86 | 83.3 | 0 | 0 | 0 | 113.1 | R1230 E1234 T1235 | R1230-D1232 VanDerWaalsContact C-N 3.27Å; R1230-D1232 PolarHBondContact NH2-O 3.08Å; R1230-D1232 PolarHBondContact O-N 2.66Å; D1232-E1234 WeakPolarHBondContact OD1-CA 3.23Å; D1232-E1234 PolarHBondContact OD1-N 3.21Å; D1232-T1235 VanDerWaalsContact CG-OG1 3.22Å; D1232-T1235 WeakPolarHBondContact OD1-CB 3.47Å; D1232-T1235 PolarHBondContact OD1-N 3.38Å; D1232-T1235 PolarHBondContact OD1-OG1 3.3Å; D1232-T1235 VanDerWaalsContact OD1-OG1 3.05Å; D1232-T1235 WeakPolarHBondContact OD2-CB 3.33Å; D1232-T1235 PolarHBondContact OD2-OG1 3.13Å | ||
| 1233 | T | 76.6 | Confident | 80.7 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -89.8 | -11.4 | -176.4 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | I1263 L1265 K1268 | T1233-I1263 HydrophobicContact CG2-CG2 4.24Å; T1233-L1265 HydrophobicContact CG2-CD2 4.1Å; T1233-K1268 HydrophobicContact CG2-CB 4.24Å; T1233-K1268 HydrophobicContact CG2-CD 4.15Å; T1233-K1268 WeakPolarHBondContact OG1-CD 3.34Å |
| 1234 | E | 71.7 | Confident | 80.5 | Confident | 160 Ų | 160 | 61.8 Ų | 61.8 | 75% | 0.748 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -97.2 | -37.5 | -169.6 | -68 | 175.1 | -147.5 | 0 | 0 | 112.7 | D1232 T1236 | D1232-E1234 WeakPolarHBondContact OD1-CA 3.23Å; D1232-E1234 PolarHBondContact OD1-N 3.21Å; E1234-T1236 PolarHBondContact O-N 2.8Å; E1234-T1236 VanDerWaalsContact O-N 3.1Å |
| 1235 | T | 66.4 | Low | 80.4 | Confident | 63 Ų | 63 | 59.9 Ų | 59.9 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | trans | -67.4 | 104.1 | -179.1 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | R1230 D1232 W1237 | R1230-T1235 PolarHBondContact NE-O 3.26Å; R1230-T1235 PolarHBondContact NH2-O 2.84Å; D1232-T1235 VanDerWaalsContact CG-OG1 3.22Å; D1232-T1235 WeakPolarHBondContact OD1-CB 3.47Å; D1232-T1235 PolarHBondContact OD1-N 3.38Å; D1232-T1235 PolarHBondContact OD1-OG1 3.3Å; D1232-T1235 VanDerWaalsContact OD1-OG1 3.05Å; D1232-T1235 WeakPolarHBondContact OD2-CB 3.33Å; D1232-T1235 PolarHBondContact OD2-OG1 3.13Å; T1235-W1237 PolarHBondContact O-N 3.34Å | ||
| 1236 | T | 59.8 | Low | 80.4 | Confident | 130 Ų | 130 | 59.7 Ų | 59.7 | 80% | 0.798 | 33% | 0.325 | S | S | * | . | trans | -81.9 | 114.6 | 173.8 | 51.1 | 0 | 0 | 0 | 0 | 111.1 | E1234 | E1234-T1236 PolarHBondContact O-N 2.8Å; E1234-T1236 VanDerWaalsContact O-N 3.1Å | ||
| 1237 | W | 59 | Low | 80.3 | Confident | 140 Ų | 140 | 60.5 Ų | 60.5 | 53% | 0.53 | 32% | 0.322 | S | S | . | . | trans | -95 | 146.5 | 165.1 | -67.1 | -11.8 | 0 | 0 | 0 | 110.6 | R1230 T1235 N1239 | R1230-W1237 HydrophobicContact CG-CD2 4.43Å; R1230-W1237 HydrophobicContact CG-CE3 4.01Å; R1230-W1237 HydrophobicContact CG-CH2 4.3Å; R1230-W1237 HydrophobicContact CG-CZ3 3.94Å; T1235-W1237 PolarHBondContact O-N 3.34Å; W1237-N1239 PolarHBondContact O-N 3.48Å; W1237-N1239 VanDerWaalsContact O-N 3.12Å | ||
| 1238 | A | 61.9 | Low | 79.9 | Confident | 85 Ų | 85 | 62 Ų | 62 | 70% | 0.702 | 33% | 0.328 | S | S | * | . | trans | -75.5 | 92.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V1240 | A1238-V1240 WeakPolarHBondContact O-CG2 3.28Å; A1238-V1240 PolarHBondContact O-N 3.05Å | ||
| 1239 | N | 69.7 | Low | 79.2 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 120.8 | 168.9 | -69.7 | -39 | 0 | 0 | 0 | 108.1 | W1237 E1261 I1287 | W1237-N1239 PolarHBondContact O-N 3.48Å; W1237-N1239 VanDerWaalsContact O-N 3.12Å; N1239-E1261 PolarHBondContact ND2-OE2 2.63Å; N1239-I1287 HydrophobicContact CB-CD1 3.98Å; N1239-I1287 HydrophobicContact CB-CG1 4.27Å |
| 1240 | V | 77.3 | Confident | 78.2 | Confident | 84 Ų | 84 | 75.9 Ų | 75.9 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 127.8 | -175.4 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | A1238 Y1359 | A1238-V1240 WeakPolarHBondContact O-CG2 3.28Å; A1238-V1240 PolarHBondContact O-N 3.05Å; V1240-Y1359 WeakPolarHBondContact CG1-OH 3.32Å |
| 1241 | L | 86.1 | Confident | 77.5 | Confident | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 140.3 | 175.6 | -68.5 | 169.4 | 0 | 0 | 0 | 110.3 | F1139 L1257 A1259 I1287 P1289 Y1359 | F1139-L1241 HydrophobicContact CB-CD1 3.93Å; F1139-L1241 HydrophobicContact CB-CD2 4.16Å; F1139-L1241 HydrophobicContact CD1-CD1 4.24Å; F1139-L1241 HydrophobicContact CD2-CD1 4.3Å; F1139-L1241 HydrophobicContact CG-CD1 3.89Å; L1241-L1257 HydrophobicContact CB-CD1 3.67Å; L1241-L1257 HydrophobicContact CB-CG 3.99Å; L1241-L1257 HydrophobicContact CD1-CD2 4.47Å; L1241-L1257 HydrophobicContact CD1-CG 4.4Å; L1241-A1259 HydrophobicContact CD2-CB 4Å; L1241-I1287 HydrophobicContact CD2-CG2 4.08Å; L1241-I1287 HydrophobicContact CG-CG2 3.93Å; L1241-P1289 HydrophobicContact CD1-CG 4.25Å; L1241-Y1359 HydrophobicContact CB-CD1 4.46Å; L1241-Y1359 HydrophobicContact CB-CE1 3.71Å; L1241-Y1359 PolarHBondContact N-OH 3.17Å; L1241-Y1359 VanDerWaalsContact O-CE1 3.25Å; L1241-Y1359 WeakPolarHBondContact O-CE1 3.45Å; L1241-Y1359 PolarHBondContact O-OH 3.29Å |
| 1242 | Q | 85 | Confident | 76.9 | Confident | 105 Ų | 105 | 84.7 Ų | 84.7 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.6 | 178.9 | -65.5 | -177.1 | 0.6 | 0 | 0 | 111.6 | Y1244 L1257 A1258 | Q1242-Y1244 HydrophobicContact CB-CE1 4.43Å; Q1242-Y1244 HydrophobicContact CB-CE2 3.8Å; Q1242-Y1244 VanDerWaalsContact O-CD2 3.32Å; Q1242-Y1244 WeakPolarHBondContact O-CD2 2.99Å; Q1242-Y1244 WeakPolarHBondContact O-CE2 3.09Å; Q1242-Y1244 PolarHBondContact OE1-OH 2.77Å; Q1242-L1257 VanDerWaalsContact C-CD1 3.46Å; Q1242-L1257 WeakPolarHBondContact O-CA 3.39Å; Q1242-A1258 PolarHBondContact N-O 2.89Å; Q1242-A1258 PolarHBondContact O-N 2.55Å |
| 1243 | W | 86.8 | Confident | 76.9 | Confident | 52 Ų | 52 | 82.4 Ų | 82.4 | 20% | 0.197 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.5 | 171.2 | -74.1 | 106.1 | 0 | 0 | 0 | 110.6 | Q1140 R1142 E1255 I1256 L1257 I1358 | Q1140-W1243 HydrophobicContact CG-CH2 3.76Å; Q1140-W1243 HydrophobicContact CG-CZ2 4.35Å; Q1140-W1243 HydrophobicContact CG-CZ3 4.45Å; R1142-W1243 HydrophobicContact CB-CH2 3.93Å; R1142-W1243 HydrophobicContact CB-CZ3 4.12Å; R1142-W1243 HydrophobicContact CG-CE3 4.22Å; R1142-W1243 HydrophobicContact CG-CH2 3.65Å; R1142-W1243 HydrophobicContact CG-CZ2 4.38Å; R1142-W1243 HydrophobicContact CG-CZ3 3.57Å; W1243-E1255 HydrophobicContact CE3-CB 3.73Å; W1243-E1255 HydrophobicContact CZ3-CB 4.25Å; W1243-E1255 WeakPolarHBondContact CZ3-O 3.37Å; W1243-I1256 CarbonylContact C-O 3.52Å; W1243-I1256 WeakPolarHBondContact CA-O 3.4Å; W1243-I1256 VanDerWaalsContact CE3-C 3.46Å; W1243-L1257 HydrophobicContact CD2-CB 3.9Å; W1243-L1257 HydrophobicContact CD2-CD1 4.18Å; W1243-L1257 HydrophobicContact CE3-CB 3.74Å; W1243-L1257 HydrophobicContact CG-CD1 4.18Å; W1243-L1257 HydrophobicContact CH2-CB 3.85Å; W1243-L1257 HydrophobicContact CZ2-CB 4Å; W1243-L1257 HydrophobicContact CZ2-CD2 4.06Å; W1243-L1257 HydrophobicContact CZ3-CB 3.7Å; W1243-I1358 PolarHBondContact NE1-O 3.34Å |
| 1244 | Y | 89.1 | Confident | 77.3 | Confident | 55 Ų | 55 | 81.3 Ų | 81.3 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.4 | 173.1 | -55.5 | -85 | 0 | 0 | 0 | 110 | L1223 I1225 Q1242 E1255 I1256 | L1223-Y1244 HydrophobicContact CD1-CG 4.12Å; I1225-Y1244 HydrophobicContact CD1-CD1 4.28Å; I1225-Y1244 HydrophobicContact CD1-CD2 3.63Å; I1225-Y1244 HydrophobicContact CD1-CE2 3.94Å; I1225-Y1244 HydrophobicContact CD1-CG 3.81Å; I1225-Y1244 HydrophobicContact CG1-CD1 4.24Å; I1225-Y1244 HydrophobicContact CG1-CD2 4.46Å; I1225-Y1244 HydrophobicContact CG1-CE1 4.49Å; I1225-Y1244 HydrophobicContact CG1-CG 4.24Å; I1225-Y1244 HydrophobicContact CG2-CE1 4.13Å; I1225-Y1244 HydrophobicContact CG2-CE2 4.39Å; Q1242-Y1244 HydrophobicContact CB-CE1 4.43Å; Q1242-Y1244 HydrophobicContact CB-CE2 3.8Å; Q1242-Y1244 VanDerWaalsContact O-CD2 3.32Å; Q1242-Y1244 WeakPolarHBondContact O-CD2 2.99Å; Q1242-Y1244 WeakPolarHBondContact O-CE2 3.09Å; Q1242-Y1244 PolarHBondContact OE1-OH 2.77Å; Y1244-E1255 CarbonylContact O-C 3.58Å; Y1244-E1255 VanDerWaalsContact O-CA 3.28Å; Y1244-E1255 WeakPolarHBondContact O-CA 3.37Å; Y1244-I1256 PolarHBondContact N-O 2.83Å; Y1244-I1256 PolarHBondContact O-N 3.45Å |
| 1245 | T | 90 | Very high | 78.2 | Confident | 50 Ų | 50 | 75.6 Ų | 75.6 | 31% | 0.307 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.9 | 177.9 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | K1252 E1255 | T1245-K1252 HydrophobicContact CG2-CB 4.47Å; T1245-K1252 HydrophobicContact CG2-CD 4.22Å; T1245-K1252 HydrophobicContact CG2-CG 3.99Å; T1245-E1255 PolarHBondContact OG1-OE1 2.94Å |
| 1246 | I | 91 | Very high | 79.4 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 135.8 | 173.8 | -60.6 | 161.9 | 0 | 0 | 0 | 108.2 | L1208 L1223 G1253 G1254 I1256 | L1208-I1246 HydrophobicContact CB-CD1 4.5Å; L1208-I1246 HydrophobicContact CD2-CD1 3.81Å; L1223-I1246 HydrophobicContact CD2-CG1 3.83Å; I1246-G1253 PolarHBondContact O-N 3.39Å; I1246-G1254 PolarHBondContact N-O 2.87Å; I1246-I1256 HydrophobicContact CD1-CB 4.26Å; I1246-I1256 HydrophobicContact CG1-CB 4.49Å; I1246-I1256 HydrophobicContact CG1-CG2 4.4Å |
| 1247 | E | 86.9 | Confident | 80.9 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139 | 177.5 | -63.6 | -163.5 | 166.6 | 0 | 0 | 113.3 | G1221 R1222 | G1221-E1247 CarbonylContact C-O 3.57Å; G1221-E1247 VanDerWaalsContact CA-O 3.23Å; G1221-E1247 WeakPolarHBondContact CA-O 3.31Å; R1222-E1247 PolarHBondContact N-O 3.09Å; R1222-E1247 PolarHBondContact O-N 3Å |
| 1248 | K | 83.8 | Confident | 82.5 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 116.5 | 168.4 | -177.1 | 173.1 | 177.5 | 171.7 | 0 | 108.2 | L1145 H1218 F1219 L1220 R1250 K1251 | L1145-K1248 HydrophobicContact CD1-CB 4.39Å; L1145-K1248 HydrophobicContact CD1-CD 3.68Å; H1218-K1248 PolarHBondContact CE1-NZ 2.95Å; H1218-K1248 VanDerWaalsContact CE1-NZ 3.29Å; H1218-K1248 PolarHBondContact NE2-NZ 2.75Å; H1218-K1248 VanDerWaalsContact NE2-NZ 3.14Å; F1219-K1248 HydrophobicContact CD1-CG 4.48Å; F1219-K1248 HydrophobicContact CE1-CG 4.37Å; F1219-K1248 WeakPolarHBondContact O-CE 3.33Å; F1219-K1248 PolarHBondContact O-NZ 3.34Å; L1220-K1248 WeakPolarHBondContact O-CD 3.12Å; K1248-R1250 VanDerWaalsContact C-N 3.32Å; K1248-R1250 PolarHBondContact O-N 2.96Å; K1248-K1251 PolarHBondContact N-O 3.07Å; K1248-K1251 WeakPolarHBondContact O-CB 3.34Å; K1248-K1251 PolarHBondContact O-N 3Å |
| 1249 | N | 73.8 | Confident | 83.9 | Confident | 95 Ų | 95 | 56 Ų | 56 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.1 | 179 | -54.1 | -17.8 | 0 | 0 | 0 | 114.4 | K1251 | N1249-K1251 PolarHBondContact O-N 2.88Š|
| 1250 | R | 70.3 | Confident | 85 | Confident | 241 Ų | 241 | 55.6 Ų | 55.6 | 91% | 0.909 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 15.9 | -174.6 | -49.8 | 178.5 | -178 | 161.2 | 2.1 | 115.2 | K1248 | K1248-R1250 VanDerWaalsContact C-N 3.32Å; K1248-R1250 PolarHBondContact O-N 2.96Å |
| 1251 | K | 73.3 | Confident | 85.7 | Confident | 110 Ų | 110 | 52 Ų | 52 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153 | 169.3 | -60.3 | -178.2 | -178.2 | 179.5 | 0 | 109.6 | K1248 N1249 G1253 E1511 | K1248-K1251 PolarHBondContact N-O 3.07Å; K1248-K1251 WeakPolarHBondContact O-CB 3.34Å; K1248-K1251 PolarHBondContact O-N 3Å; N1249-K1251 PolarHBondContact O-N 2.88Å; K1251-G1253 PolarHBondContact O-N 3.42Å; K1251-E1511 IonicContact NZ-OE1 2.84Å; K1251-E1511 PolarHBondContact NZ-OE1 3.05Å; K1251-E1511 IonicContact NZ-OE2 3.97Å; K1251-E1511 PolarHBondContact NZ-OE2 3.16Å |
| 1252 | K | 75.6 | Confident | 86 | Confident | 155 Ų | 155 | 52 Ų | 52 | 67% | 0.674 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.7 | 175.2 | -66 | -168 | 174.5 | -167.2 | 0 | 110.3 | T1245 | T1245-K1252 HydrophobicContact CG2-CB 4.47Å; T1245-K1252 HydrophobicContact CG2-CD 4.22Å; T1245-K1252 HydrophobicContact CG2-CG 3.99Å |
| 1253 | G | 80.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1145 I1246 K1251 | L1145-G1253 PolarHBondContact N-O 2.9Å; I1246-G1253 PolarHBondContact O-N 3.39Å; K1251-G1253 PolarHBondContact O-N 3.42Å |
| 1254 | G | 85.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125 | -170.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1142 S1143 I1246 | R1142-G1254 WeakPolarHBondContact O-CA 3.39Å; S1143-G1254 WeakPolarHBondContact O-CA 3.38Å; I1246-G1254 PolarHBondContact N-O 2.87Å |
| 1255 | E | 89.6 | Confident | 86.4 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 19% | 0.192 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.8 | 174 | -55.5 | -175.3 | 127.3 | 0 | 0 | 110.2 | A1141 R1142 W1243 Y1244 T1245 | A1141-E1255 CarbonylContact C-O 3.53Å; A1141-E1255 WeakPolarHBondContact CA-O 3.48Å; A1141-E1255 WeakPolarHBondContact CB-O 3.38Å; R1142-E1255 HydrophobicContact CG-CB 4.18Å; R1142-E1255 IonicContact CZ-OE2 2.78Å; R1142-E1255 PolarHBondContact N-O 3.4Å; R1142-E1255 IonicContact NE-OE2 3.51Å; R1142-E1255 PolarHBondContact NE-OE2 2.75Å; R1142-E1255 IonicContact NH2-OE2 2.66Å; R1142-E1255 PolarHBondContact NH2-OE2 2.7Å; R1142-E1255 PolarHBondContact O-N 2.68Å; W1243-E1255 HydrophobicContact CE3-CB 3.73Å; W1243-E1255 HydrophobicContact CZ3-CB 4.25Å; W1243-E1255 WeakPolarHBondContact CZ3-O 3.37Å; Y1244-E1255 CarbonylContact O-C 3.58Å; Y1244-E1255 VanDerWaalsContact O-CA 3.28Å; Y1244-E1255 WeakPolarHBondContact O-CA 3.37Å; T1245-E1255 PolarHBondContact OG1-OE1 2.94Å |
| 1256 | I | 92 | Very high | 86 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.3 | 176.9 | -168.7 | 172.4 | 0 | 0 | 0 | 110.6 | I1138 V1157 I1206 L1223 W1243 Y1244 I1246 A1258 | I1138-I1256 HydrophobicContact CG2-CD1 4.13Å; V1157-I1256 HydrophobicContact CG1-CD1 4.41Å; V1157-I1256 HydrophobicContact CG2-CD1 3.76Å; I1206-I1256 HydrophobicContact CG2-CD1 4.02Å; L1223-I1256 HydrophobicContact CD1-CG2 3.97Å; L1223-I1256 HydrophobicContact CD2-CG2 4.16Å; W1243-I1256 CarbonylContact C-O 3.52Å; W1243-I1256 WeakPolarHBondContact CA-O 3.4Å; W1243-I1256 VanDerWaalsContact CE3-C 3.46Å; Y1244-I1256 PolarHBondContact N-O 2.83Å; Y1244-I1256 PolarHBondContact O-N 3.45Å; I1246-I1256 HydrophobicContact CD1-CB 4.26Å; I1246-I1256 HydrophobicContact CG1-CB 4.49Å; I1246-I1256 HydrophobicContact CG1-CG2 4.4Å; I1256-A1258 HydrophobicContact CG1-CB 4.47Å |
| 1257 | L | 90.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 108.7 | 174.5 | -177.3 | 59 | 0 | 0 | 0 | 108.9 | F1139 Q1140 L1241 Q1242 W1243 Y1359 | F1139-L1257 WeakPolarHBondContact CB-O 3.35Å; F1139-L1257 HydrophobicContact CD1-CD2 3.95Å; F1139-L1257 PolarHBondContact N-O 3.02Å; F1139-L1257 VanDerWaalsContact N-O 3.12Å; Q1140-L1257 HydrophobicContact CG-CB 3.81Å; Q1140-L1257 HydrophobicContact CG-CD2 4Å; Q1140-L1257 HydrophobicContact CG-CG 4.47Å; Q1140-L1257 PolarHBondContact N-O 3.31Å; Q1140-L1257 PolarHBondContact O-N 2.66Å; L1241-L1257 HydrophobicContact CB-CD1 3.67Å; L1241-L1257 HydrophobicContact CB-CG 3.99Å; L1241-L1257 HydrophobicContact CD1-CD2 4.47Å; L1241-L1257 HydrophobicContact CD1-CG 4.4Å; Q1242-L1257 VanDerWaalsContact C-CD1 3.46Å; Q1242-L1257 WeakPolarHBondContact O-CA 3.39Å; W1243-L1257 HydrophobicContact CD2-CB 3.9Å; W1243-L1257 HydrophobicContact CD2-CD1 4.18Å; W1243-L1257 HydrophobicContact CE3-CB 3.74Å; W1243-L1257 HydrophobicContact CG-CD1 4.18Å; W1243-L1257 HydrophobicContact CH2-CB 3.85Å; W1243-L1257 HydrophobicContact CZ2-CB 4Å; W1243-L1257 HydrophobicContact CZ2-CD2 4.06Å; W1243-L1257 HydrophobicContact CZ3-CB 3.7Å; L1257-Y1359 HydrophobicContact CD1-CD1 3.96Å; L1257-Y1359 HydrophobicContact CD1-CE1 3.92Å; L1257-Y1359 HydrophobicContact CD2-CD1 3.67Å; L1257-Y1359 HydrophobicContact CD2-CE1 4.36Å; L1257-Y1359 HydrophobicContact CG-CD1 4.44Å |
| 1258 | A | 93.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 169.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1137 I1138 Q1242 I1256 F1260 | Y1137-A1258 CarbonylContact O-C 3.47Å; Y1137-A1258 WeakPolarHBondContact O-CA 3.07Å; Y1137-A1258 WeakPolarHBondContact O-CB 3.07Å; I1138-A1258 HydrophobicContact CD1-CB 4.07Å; Q1242-A1258 PolarHBondContact N-O 2.89Å; Q1242-A1258 PolarHBondContact O-N 2.55Å; I1256-A1258 HydrophobicContact CG1-CB 4.47Å; A1258-F1260 HydrophobicContact CB-CE2 3.55Å; A1258-F1260 HydrophobicContact CB-CZ 3.84Å |
| 1259 | A | 91.9 | Very high | 84.6 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | Y1137 L1241 | Y1137-A1259 WeakPolarHBondContact CB-O 3.16Å; Y1137-A1259 HydrophobicContact CD2-CB 4.15Å; Y1137-A1259 PolarHBondContact N-O 2.99Å; Y1137-A1259 PolarHBondContact O-N 3.46Å; L1241-A1259 HydrophobicContact CD2-CB 4Å |
| 1260 | F | 92.9 | Very high | 84.8 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 4% | 0.039 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.7 | -174 | -58.9 | -95.6 | 0 | 0 | 0 | 110 | R1135 A1136 I1138 V1204 I1206 I1225 P1227 A1228 A1258 | R1135-F1260 WeakPolarHBondContact O-CA 3.31Å; A1136-F1260 HydrophobicContact CB-CD1 3.51Å; A1136-F1260 HydrophobicContact CB-CE1 3.42Å; A1136-F1260 VanDerWaalsContact CB-CE1 3.42Å; I1138-F1260 HydrophobicContact CD1-CE1 4Å; I1138-F1260 HydrophobicContact CD1-CZ 3.74Å; V1204-F1260 HydrophobicContact CB-CD1 4.21Å; V1204-F1260 HydrophobicContact CB-CE1 4.4Å; V1204-F1260 HydrophobicContact CG1-CD1 3.97Å; V1204-F1260 HydrophobicContact CG1-CE1 3.86Å; V1204-F1260 HydrophobicContact CG2-CD1 3.99Å; V1204-F1260 HydrophobicContact CG2-CG 4.42Å; I1206-F1260 HydrophobicContact CD1-CE1 3.81Å; I1206-F1260 HydrophobicContact CD1-CZ 3.81Å; I1206-F1260 HydrophobicContact CG1-CE1 4.3Å; I1206-F1260 HydrophobicContact CG1-CZ 3.89Å; I1225-F1260 HydrophobicContact CB-CD2 4.33Å; I1225-F1260 HydrophobicContact CB-CE2 4.29Å; I1225-F1260 HydrophobicContact CD1-CD2 4.16Å; I1225-F1260 HydrophobicContact CD1-CE2 3.36Å; I1225-F1260 HydrophobicContact CD1-CZ 3.84Å; I1225-F1260 HydrophobicContact CG1-CE2 4.42Å; I1225-F1260 HydrophobicContact CG2-CD2 3.66Å; I1225-F1260 HydrophobicContact CG2-CE2 3.98Å; I1225-F1260 HydrophobicContact CG2-CG 4.44Å; P1227-F1260 HydrophobicContact CB-CB 3.91Å; A1228-F1260 WeakPolarHBondContact CB-O 3.01Å; A1228-F1260 PolarHBondContact N-O 3.12Å; A1258-F1260 HydrophobicContact CB-CE2 3.55Å; A1258-F1260 HydrophobicContact CB-CZ 3.84Å |
| 1261 | E | 90.8 | Very high | 85.2 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.2 | 172.5 | 69.9 | 177.7 | 157.5 | 0 | 0 | 111.9 | L1134 R1135 Y1137 A1228 R1230 N1239 I1263 | L1134-E1261 CarbonylContact C-O 3.45Å; L1134-E1261 WeakPolarHBondContact CA-O 3.19Å; L1134-E1261 WeakPolarHBondContact CD1-O 3.25Å; R1135-E1261 HydrophobicContact CB-CG 4Å; R1135-E1261 WeakPolarHBondContact CD-OE1 3.1Å; R1135-E1261 PolarHBondContact N-O 2.66Å; R1135-E1261 PolarHBondContact O-N 3.04Å; Y1137-E1261 HydrophobicContact CE2-CG 3.96Å; Y1137-E1261 PolarHBondContact OH-OE1 2.82Å; A1228-E1261 CarbonylContact O-C 3.55Å; A1228-E1261 VanDerWaalsContact O-CA 3.29Å; A1228-E1261 WeakPolarHBondContact O-CA 3.44Å; R1230-E1261 IonicContact NH1-OE2 3.23Å; R1230-E1261 PolarHBondContact NH1-OE2 3.2Å; N1239-E1261 PolarHBondContact ND2-OE2 2.63Å; E1261-I1263 HydrophobicContact CG-CD1 4.07Å; E1261-I1263 HydrophobicContact CG-CG1 4.17Å |
| 1262 | L | 93.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 112.6 | 179.9 | -179.7 | 67.5 | 0 | 0 | 0 | 109 | W1132 L1134 F1161 M1190 I1197 P1227 A1228 V1229 R1230 | W1132-L1262 HydrophobicContact CB-CD1 3.98Å; W1132-L1262 HydrophobicContact CD2-CG 4.41Å; W1132-L1262 HydrophobicContact CE3-CD1 4.24Å; W1132-L1262 HydrophobicContact CE3-CD2 4.22Å; W1132-L1262 HydrophobicContact CE3-CG 3.72Å; W1132-L1262 HydrophobicContact CZ3-CD2 4.48Å; W1132-L1262 HydrophobicContact CZ3-CG 4.22Å; L1134-L1262 HydrophobicContact CB-CD1 3.97Å; L1134-L1262 HydrophobicContact CD1-CB 4.08Å; L1134-L1262 HydrophobicContact CD1-CD1 4.26Å; F1161-L1262 HydrophobicContact CE1-CD1 3.87Å; F1161-L1262 HydrophobicContact CZ-CD1 3.86Å; F1161-L1262 HydrophobicContact CZ-CD2 3.96Å; M1190-L1262 HydrophobicContact CE-CD1 4.31Å; M1190-L1262 HydrophobicContact CE-CD2 4.14Å; I1197-L1262 HydrophobicContact CG2-CD2 3.96Å; P1227-L1262 HydrophobicContact CB-CB 4.18Å; P1227-L1262 HydrophobicContact CG-CB 4.23Å; P1227-L1262 HydrophobicContact CG-CD2 4.38Å; A1228-L1262 PolarHBondContact O-N 2.85Å; V1229-L1262 CarbonylContact C-O 3.54Å; V1229-L1262 WeakPolarHBondContact CA-O 3.4Å; V1229-L1262 HydrophobicContact CG2-CD2 4.33Å; R1230-L1262 PolarHBondContact N-O 2.93Å |
| 1263 | I | 91.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.4 | -167.6 | -49.5 | 173.8 | 0 | 0 | 0 | 110.1 | W1132 H1133 T1233 E1261 L1265 P1271 | W1132-I1263 CarbonylContact C-O 3.54Å; W1132-I1263 WeakPolarHBondContact CA-O 3.4Å; H1133-I1263 HydrophobicContact CB-CB 4.46Å; H1133-I1263 PolarHBondContact N-O 3Å; H1133-I1263 PolarHBondContact O-N 2.96Å; T1233-I1263 HydrophobicContact CG2-CG2 4.24Å; E1261-I1263 HydrophobicContact CG-CD1 4.07Å; E1261-I1263 HydrophobicContact CG-CG1 4.17Å; I1263-L1265 HydrophobicContact CG2-CD2 4.4Å; I1263-P1271 HydrophobicContact CD1-CG 3.85Å |
| 1264 | L | 92.4 | Very high | 85.6 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 131.2 | 172.3 | -174.6 | 65.8 | 0 | 0 | 0 | 111 | H1130 W1132 P1194 R1230 | H1130-L1264 HydrophobicContact CB-CD1 3.87Å; W1132-L1264 HydrophobicContact CD2-CB 4.45Å; W1132-L1264 HydrophobicContact CD2-CD1 3.97Å; W1132-L1264 HydrophobicContact CE3-CB 3.97Å; W1132-L1264 HydrophobicContact CE3-CD1 4.32Å; W1132-L1264 HydrophobicContact CH2-CB 4.16Å; W1132-L1264 HydrophobicContact CH2-CD1 4.24Å; W1132-L1264 HydrophobicContact CZ2-CD1 3.83Å; W1132-L1264 HydrophobicContact CZ3-CB 3.81Å; W1132-L1264 HydrophobicContact CZ3-CD1 4.45Å; P1194-L1264 HydrophobicContact CB-CD2 3.95Å; P1194-L1264 HydrophobicContact CG-CD1 4.31Å; P1194-L1264 HydrophobicContact CG-CD2 3.98Å; R1230-L1264 PolarHBondContact O-N 2.86Å |
| 1265 | L | 86 | Confident | 85.6 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | trans | -106 | -51.9 | -178.8 | -60.5 | -168.9 | 0 | 0 | 0 | 113.6 | I1131 H1133 T1233 I1263 G1267 K1268 P1270 | I1131-L1265 HydrophobicContact CG2-CB 4.46Å; I1131-L1265 HydrophobicContact CG2-CD1 4.48Å; I1131-L1265 WeakPolarHBondContact O-CB 3.23Å; I1131-L1265 PolarHBondContact O-N 2.85Å; H1133-L1265 HydrophobicContact CB-CD1 3.89Å; H1133-L1265 HydrophobicContact CB-CD2 4.02Å; H1133-L1265 HydrophobicContact CB-CG 3.91Å; T1233-L1265 HydrophobicContact CG2-CD2 4.1Å; I1263-L1265 HydrophobicContact CG2-CD2 4.4Å; L1265-G1267 PolarHBondContact O-N 2.89Å; L1265-K1268 WeakPolarHBondContact O-CA 2.85Å; L1265-K1268 WeakPolarHBondContact O-CB 3.39Å; L1265-K1268 WeakPolarHBondContact O-CG 3.23Å; L1265-K1268 PolarHBondContact O-N 2.88Å; L1265-P1270 HydrophobicContact CD1-CB 4Å; L1265-P1270 HydrophobicContact CD1-CG 4.45Å; L1265-P1270 HydrophobicContact CD2-CB 3.99Å | ||
| 1266 | D | 80.5 | Confident | 85.1 | Confident | 72 Ų | 72 | 43.5 Ų | 43.5 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 36.4 | 59.1 | 177.5 | -70.6 | -2.2 | 0 | 0 | 0 | 115.6 | H1130 I1131 K1268 | H1130-D1266 WeakPolarHBondContact CA-OD1 3.33Å; H1130-D1266 IonicContact CE1-OD2 3.12Å; H1130-D1266 IonicContact CG-OD1 2.76Å; H1130-D1266 IonicContact CG-OD2 3.18Å; H1130-D1266 IonicContact ND1-OD1 3.22Å; H1130-D1266 PolarHBondContact ND1-OD1 2.91Å; H1130-D1266 IonicContact ND1-OD2 3.14Å; H1130-D1266 PolarHBondContact ND1-OD2 2.87Å; I1131-D1266 PolarHBondContact N-OD1 2.99Å; D1266-K1268 VanDerWaalsContact C-N 3.28Å; D1266-K1268 PolarHBondContact O-N 2.82Å |
| 1267 | G | 74 | Confident | 84.4 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 86% | 0.856 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -6.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1265 | L1265-G1267 PolarHBondContact O-N 2.89Š|
| 1268 | K | 80.3 | Confident | 83.7 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -79.4 | 152.7 | 165 | -53.4 | -178.6 | -177.8 | -176.3 | 0 | 110.2 | T1233 L1265 D1266 | T1233-K1268 HydrophobicContact CG2-CB 4.24Å; T1233-K1268 HydrophobicContact CG2-CD 4.15Å; T1233-K1268 WeakPolarHBondContact OG1-CD 3.34Å; L1265-K1268 WeakPolarHBondContact O-CA 2.85Å; L1265-K1268 WeakPolarHBondContact O-CB 3.39Å; L1265-K1268 WeakPolarHBondContact O-CG 3.23Å; L1265-K1268 PolarHBondContact O-N 2.88Å; D1266-K1268 VanDerWaalsContact C-N 3.28Å; D1266-K1268 PolarHBondContact O-N 2.82Å |
| 1269 | S | 78 | Confident | 82.7 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 142.2 | 168.6 | 54 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1270 | P | 78.5 | Confident | 82.4 | Confident | 48 Ų | 48 | 61 Ų | 61 | 31% | 0.312 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 155.9 | 169.7 | 26.2 | -33.8 | 0 | 0 | 0 | 111.1 | L1265 | L1265-P1270 HydrophobicContact CD1-CB 4Å; L1265-P1270 HydrophobicContact CD1-CG 4.45Å; L1265-P1270 HydrophobicContact CD2-CB 3.99Å |
| 1271 | P | 78.9 | Confident | 82.1 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 151.3 | 172.4 | -20.8 | 31.2 | 0 | 0 | 0 | 110.3 | R1135 I1263 | R1135-P1271 PolarHBondContact NH2-O 3.5Å; I1263-P1271 HydrophobicContact CD1-CG 3.85Å |
| 1272 | P | 80.4 | Confident | 82 | Confident | 110 Ų | 110 | 62 Ų | 62 | 71% | 0.714 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 139.8 | -179.8 | 23 | -33.7 | 0 | 0 | 0 | 110.5 | R1135 | R1135-P1272 PolarHBondContact NH2-O 2.88Š|
| 1273 | P | 75.2 | Confident | 81.8 | Confident | 78 Ų | 78 | 62 Ų | 62 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 153 | 179.2 | 22.7 | -31.7 | 0 | 0 | 0 | 111.4 | F1281 | P1273-F1281 HydrophobicContact CB-CD1 3.93Å; P1273-F1281 HydrophobicContact CB-CE1 3.5Å; P1273-F1281 HydrophobicContact CG-CE1 4.49Å |
| 1274 | P | 82.9 | Confident | 81.6 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 167.1 | 169.5 | -20.8 | 32.3 | 0 | 0 | 0 | 112.7 | T1182 F1281 N1282 P1284 | T1182-P1274 HydrophobicContact CG2-CG 4.24Å; P1274-F1281 HydrophobicContact CB-CB 4.36Å; P1274-F1281 HydrophobicContact CG-CB 4.42Å; P1274-N1282 WeakPolarHBondContact CB-O 3.43Å; P1274-P1284 HydrophobicContact CB-CG 4.18Å; P1274-P1284 HydrophobicContact CG-CG 4.05Å |
| 1275 | T | 84.6 | Confident | 81.1 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 147.7 | 172.1 | 61.2 | 0 | 0 | 0 | 0 | 110.1 | N1282 | T1275-N1282 WeakPolarHBondContact O-CB 3.22Å; T1275-N1282 PolarHBondContact O-N 2.91Å; T1275-N1282 PolarHBondContact O-ND2 2.78Å; T1275-N1282 PolarHBondContact OG1-ND2 3.35Å |
| 1276 | R | 80.4 | Confident | 80.7 | Confident | 157 Ų | 157 | 72 Ų | 72 | 59% | 0.592 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 148.5 | -176.7 | -69.2 | -172 | -178 | 174.7 | 2.9 | 113 | L1280 F1281 | R1276-L1280 CarbonylContact C-O 3.54Å; R1276-L1280 WeakPolarHBondContact CA-O 3.22Å; R1276-L1280 VanDerWaalsContact CB-O 3.25Å; R1276-L1280 WeakPolarHBondContact CB-O 3.11Å; R1276-L1280 WeakPolarHBondContact CG-O 3.39Å; R1276-F1281 HydrophobicContact CG-CD1 3.75Å; R1276-F1281 HydrophobicContact CG-CE1 4.12Å; R1276-F1281 HydrophobicContact CG-CG 4.35Å; R1276-F1281 VanDerWaalsContact NH2-CE1 3.28Å |
| 1277 | R | 76 | Confident | 80.7 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 54% | 0.536 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 95.7 | 167.5 | -170.1 | -170.2 | -51.9 | -174.5 | 6.7 | 108.2 | D1180 T1279 L1280 N1282 | D1180-R1277 IonicContact OD2-NH2 2.69Å; D1180-R1277 PolarHBondContact OD2-NH2 3.43Å; R1277-T1279 PolarHBondContact O-N 2.55Å; R1277-T1279 VanDerWaalsContact O-N 3.17Å; R1277-L1280 PolarHBondContact N-O 2.89Å; R1277-L1280 PolarHBondContact O-N 2.87Å; R1277-L1280 VanDerWaalsContact O-N 3.13Å; R1277-N1282 PolarHBondContact NE-OD1 2.86Å; R1277-N1282 PolarHBondContact NH2-OD1 3.06Å |
| 1278 | G | 77.7 | Confident | 81.1 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 77% | 0.773 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -114.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1279 | T | 72 | Confident | 81.2 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 74% | 0.742 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -15.1 | 177 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | R1277 | R1277-T1279 PolarHBondContact O-N 2.55Å; R1277-T1279 VanDerWaalsContact O-N 3.17Å |
| 1280 | L | 84.3 | Confident | 81.4 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 156.3 | -177.1 | -46.5 | 175.7 | 0 | 0 | 0 | 111.8 | Q1169 E1181 R1276 R1277 | Q1169-L1280 HydrophobicContact CG-CD1 3.79Å; Q1169-L1280 HydrophobicContact CG-CD2 4.01Å; E1181-L1280 HydrophobicContact CG-CD1 4.19Å; R1276-L1280 CarbonylContact C-O 3.54Å; R1276-L1280 WeakPolarHBondContact CA-O 3.22Å; R1276-L1280 VanDerWaalsContact CB-O 3.25Å; R1276-L1280 WeakPolarHBondContact CB-O 3.11Å; R1276-L1280 WeakPolarHBondContact CG-O 3.39Å; R1277-L1280 PolarHBondContact N-O 2.89Å; R1277-L1280 PolarHBondContact O-N 2.87Å; R1277-L1280 VanDerWaalsContact O-N 3.13Å |
| 1281 | F | 86.9 | Confident | 81.9 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 9% | 0.092 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.6 | 166.3 | -56.4 | -94.9 | 0 | 0 | 0 | 109.5 | E1181 T1182 I1184 P1273 P1274 R1276 | E1181-F1281 CarbonylContact C-O 3.48Å; E1181-F1281 WeakPolarHBondContact CA-O 3.46Å; T1182-F1281 PolarHBondContact N-O 2.91Å; I1184-F1281 HydrophobicContact CD1-CB 4.29Å; I1184-F1281 HydrophobicContact CD1-CD1 3.66Å; I1184-F1281 HydrophobicContact CD1-CD2 3.71Å; I1184-F1281 HydrophobicContact CD1-CE1 3.69Å; I1184-F1281 HydrophobicContact CD1-CE2 3.78Å; I1184-F1281 HydrophobicContact CD1-CG 3.64Å; I1184-F1281 HydrophobicContact CD1-CZ 3.75Å; I1184-F1281 HydrophobicContact CG1-CD2 4.06Å; I1184-F1281 HydrophobicContact CG1-CE2 4.24Å; I1184-F1281 HydrophobicContact CG1-CG 4.34Å; P1273-F1281 HydrophobicContact CB-CD1 3.93Å; P1273-F1281 HydrophobicContact CB-CE1 3.5Å; P1273-F1281 HydrophobicContact CG-CE1 4.49Å; P1274-F1281 HydrophobicContact CB-CB 4.36Å; P1274-F1281 HydrophobicContact CG-CB 4.42Å; R1276-F1281 HydrophobicContact CG-CD1 3.75Å; R1276-F1281 HydrophobicContact CG-CE1 4.12Å; R1276-F1281 HydrophobicContact CG-CG 4.35Å; R1276-F1281 VanDerWaalsContact NH2-CE1 3.28Å |
| 1282 | N | 88.4 | Confident | 82.3 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -74.7 | 158.6 | 173.7 | -61.8 | -50.8 | 0 | 0 | 0 | 111 | D1180 T1182 P1274 T1275 R1277 | D1180-N1282 CarbonylContact O-C 3.49Å; D1180-N1282 WeakPolarHBondContact O-CA 3.37Å; T1182-N1282 PolarHBondContact OG1-O 2.93Å; P1274-N1282 WeakPolarHBondContact CB-O 3.43Å; T1275-N1282 WeakPolarHBondContact O-CB 3.22Å; T1275-N1282 PolarHBondContact O-N 2.91Å; T1275-N1282 PolarHBondContact O-ND2 2.78Å; T1275-N1282 PolarHBondContact OG1-ND2 3.35Å; R1277-N1282 PolarHBondContact NE-OD1 2.86Å; R1277-N1282 PolarHBondContact NH2-OD1 3.06Å |
| 1283 | V | 89 | Confident | 82.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 135.8 | 163.4 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | Y1137 F1139 D1180 I1287 R1288 | Y1137-V1283 HydrophobicContact CD1-CG1 4.2Å; F1139-V1283 HydrophobicContact CD2-CB 4.39Å; F1139-V1283 HydrophobicContact CD2-CG2 4.19Å; D1180-V1283 PolarHBondContact O-N 3.32Å; D1180-V1283 VanDerWaalsContact O-N 3.14Å; V1283-I1287 HydrophobicContact CG1-CB 3.97Å; V1283-I1287 HydrophobicContact CG1-CG2 3.77Å; V1283-R1288 HydrophobicContact CB-CG 4.02Å; V1283-R1288 HydrophobicContact CG1-CG 3.93Å; V1283-R1288 PolarHBondContact O-NE 3.37Å; V1283-R1288 VanDerWaalsContact O-NE 3.15Å |
| 1284 | P | 87.8 | Confident | 83.7 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 142.6 | 178.8 | -26.7 | 34.9 | 0 | 0 | 0 | 113.9 | Y1137 P1274 G1286 I1287 R1288 | Y1137-P1284 HydrophobicContact CD1-CG 4.46Å; Y1137-P1284 HydrophobicContact CE1-CG 3.71Å; P1274-P1284 HydrophobicContact CB-CG 4.18Å; P1274-P1284 HydrophobicContact CG-CG 4.05Å; P1284-G1286 PolarHBondContact O-N 2.75Å; P1284-I1287 HydrophobicContact CB-CD1 4.36Å; P1284-I1287 HydrophobicContact CB-CG1 4.43Å; P1284-I1287 HydrophobicContact CG-CD1 4.11Å; P1284-I1287 PolarHBondContact O-N 3.29Å; P1284-R1288 PolarHBondContact O-N 2.99Å |
| 1285 | E | 81.2 | Confident | 84.2 | Confident | 133 Ų | 133 | 58.9 Ų | 58.9 | 62% | 0.621 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25.6 | -178.7 | -54.3 | -64 | 176.2 | 0 | 0 | 114.1 | R1288 | E1285-R1288 IonicContact OE1-CZ 3.65Å; E1285-R1288 IonicContact OE1-NH1 3.48Å; E1285-R1288 PolarHBondContact OE1-NH1 3.22Å; E1285-R1288 WeakPolarHBondContact OE2-CD 3.5Å; E1285-R1288 IonicContact OE2-CZ 3.15Å; E1285-R1288 IonicContact OE2-NH1 3.87Å; E1285-R1288 PolarHBondContact OE2-NH1 3.48Å |
| 1286 | G | 78.1 | Confident | 84.6 | Confident | 72 Ų | 72 | 55 Ų | 55 | 74% | 0.742 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -6.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1284 | P1284-G1286 PolarHBondContact O-N 2.75Š|
| 1287 | I | 80.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -29.7 | 175.1 | -62.9 | 177.5 | 0 | 0 | 0 | 110.1 | Y1137 N1239 L1241 V1283 P1284 | Y1137-I1287 HydrophobicContact CD1-CD1 4.23Å; Y1137-I1287 HydrophobicContact CD2-CD1 3.9Å; Y1137-I1287 HydrophobicContact CE1-CD1 3.91Å; Y1137-I1287 HydrophobicContact CE2-CD1 3.53Å; Y1137-I1287 HydrophobicContact CG-CD1 4.23Å; N1239-I1287 HydrophobicContact CB-CD1 3.98Å; N1239-I1287 HydrophobicContact CB-CG1 4.27Å; L1241-I1287 HydrophobicContact CD2-CG2 4.08Å; L1241-I1287 HydrophobicContact CG-CG2 3.93Å; V1283-I1287 HydrophobicContact CG1-CB 3.97Å; V1283-I1287 HydrophobicContact CG1-CG2 3.77Å; P1284-I1287 HydrophobicContact CB-CD1 4.36Å; P1284-I1287 HydrophobicContact CB-CG1 4.43Å; P1284-I1287 HydrophobicContact CG-CD1 4.11Å; P1284-I1287 PolarHBondContact O-N 3.29Å |
| 1288 | R | 83 | Confident | 86.2 | Confident | 49 Ų | 49 | 41 Ų | 41 | 19% | 0.185 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -61.2 | 146.1 | 175.6 | -76.9 | -175 | 176.9 | 154.4 | -6.3 | 111.6 | F1139 D1180 V1283 P1284 E1285 V1290 | F1139-R1288 HydrophobicContact CE2-CG 4.08Å; D1180-R1288 VanDerWaalsContact CG-NH2 3.33Å; D1180-R1288 IonicContact OD1-CZ 2.66Å; D1180-R1288 IonicContact OD1-NE 2.82Å; D1180-R1288 PolarHBondContact OD1-NE 3Å; D1180-R1288 IonicContact OD1-NH2 3.67Å; D1180-R1288 PolarHBondContact OD1-NH2 2.82Å; D1180-R1288 IonicContact OD2-CZ 2.85Å; D1180-R1288 IonicContact OD2-NE 2.79Å; D1180-R1288 IonicContact OD2-NH2 3.43Å; D1180-R1288 PolarHBondContact OD2-NH2 2.79Å; V1283-R1288 HydrophobicContact CB-CG 4.02Å; V1283-R1288 HydrophobicContact CG1-CG 3.93Å; V1283-R1288 PolarHBondContact O-NE 3.37Å; V1283-R1288 VanDerWaalsContact O-NE 3.15Å; P1284-R1288 PolarHBondContact O-N 2.99Å; E1285-R1288 IonicContact OE1-CZ 3.65Å; E1285-R1288 IonicContact OE1-NH1 3.48Å; E1285-R1288 PolarHBondContact OE1-NH1 3.22Å; E1285-R1288 WeakPolarHBondContact OE2-CD 3.5Å; E1285-R1288 IonicContact OE2-CZ 3.15Å; E1285-R1288 IonicContact OE2-NH1 3.87Å; E1285-R1288 PolarHBondContact OE2-NH1 3.48Å; R1288-V1290 PolarHBondContact O-N 3.18Å |
| 1289 | P | 81.9 | Confident | 87 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | trans | -58.7 | 134.9 | 172.7 | -22.9 | 34.7 | 0 | 0 | 0 | 112 | F1139 L1241 L1291 P1354 Y1359 | F1139-P1289 HydrophobicContact CE1-CG 4Å; F1139-P1289 HydrophobicContact CZ-CG 4.15Å; L1241-P1289 HydrophobicContact CD1-CG 4.25Å; P1289-L1291 PolarHBondContact O-N 2.67Å; P1289-L1291 VanDerWaalsContact O-N 3.17Å; P1289-P1354 HydrophobicContact CB-CB 3.71Å; P1289-P1354 HydrophobicContact CB-CG 3.68Å; P1289-P1354 HydrophobicContact CG-CG 4.33Å; P1289-Y1359 HydrophobicContact CB-CD2 3.58Å; P1289-Y1359 HydrophobicContact CB-CG 3.82Å; P1289-Y1359 HydrophobicContact CG-CD1 4.3Å; P1289-Y1359 HydrophobicContact CG-CD2 3.73Å; P1289-Y1359 HydrophobicContact CG-CG 3.58Å | ||
| 1290 | V | 82.6 | Confident | 88.1 | Confident | 80 Ų | 80 | 31.8 Ų | 31.8 | 49% | 0.485 | 18% | 0.178 | S | C | . | . | trans | -70.7 | 114.1 | 177.8 | 179 | 0 | 0 | 0 | 0 | 109.2 | R1288 P1354 K1355 | R1288-V1290 PolarHBondContact O-N 3.18Å; V1290-P1354 CarbonylContact O-C 3.46Å; V1290-P1354 WeakPolarHBondContact O-CA 3.18Å; V1290-K1355 HydrophobicContact CG1-CD 3.99Å; V1290-K1355 WeakPolarHBondContact O-CG 3.42Å; V1290-K1355 PolarHBondContact O-N 3.44Å | ||
| 1291 | L | 87.2 | Confident | 88.6 | Confident | 92 Ų | 92 | 30.3 Ų | 30.3 | 48% | 0.482 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 144 | -179.4 | -57.2 | -179.3 | 0 | 0 | 0 | 112.2 | P1289 L1352 L1353 P1354 | P1289-L1291 PolarHBondContact O-N 2.67Å; P1289-L1291 VanDerWaalsContact O-N 3.17Å; L1291-L1352 HydrophobicContact CB-CB 4.25Å; L1291-L1352 HydrophobicContact CD1-CB 4.09Å; L1291-L1353 CarbonylContact C-O 3.21Å; L1291-L1353 WeakPolarHBondContact CA-O 3.45Å; L1291-P1354 HydrophobicContact CD2-CG 3.9Å |
| 1292 | Q | 88.7 | Confident | 88.9 | Confident | 55 Ų | 55 | 29.3 Ų | 29.3 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.4 | 169.2 | 179.5 | 162.3 | 18.4 | 0 | 0 | 110 | T1294 L1352 L1353 K1355 P1528 | Q1292-T1294 PolarHBondContact O-N 2.95Å; Q1292-T1294 PolarHBondContact O-OG1 3.21Å; Q1292-T1294 VanDerWaalsContact O-OG1 3.13Å; Q1292-L1352 WeakPolarHBondContact O-CA 3.24Å; Q1292-L1353 PolarHBondContact N-O 3.24Å; Q1292-L1353 PolarHBondContact O-N 3.03Å; Q1292-K1355 HydrophobicContact CB-CD 4.28Å; Q1292-K1355 HydrophobicContact CB-CG 3.58Å; Q1292-P1528 HydrophobicContact CG-CB 4.47Å |
| 1293 | R | 92.3 | Very high | 89.3 | Confident | 33 Ų | 33 | 28.5 Ų | 28.5 | 13% | 0.125 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 115.6 | 170.6 | -167.3 | -177.3 | 168.4 | -149 | 6.8 | 109.2 | D1350 L1352 L1529 P1530 D1532 | R1293-D1350 VanDerWaalsContact CG-OD1 3.23Å; R1293-D1350 WeakPolarHBondContact CG-OD1 3Å; R1293-D1350 IonicContact CZ-OD2 3.95Å; R1293-D1350 VanDerWaalsContact CZ-OD2 3.29Å; R1293-D1350 IonicContact NE-OD1 3.24Å; R1293-D1350 PolarHBondContact NE-OD1 3.46Å; R1293-D1350 IonicContact NE-OD2 3.85Å; R1293-D1350 PolarHBondContact NE-OD2 3.08Å; R1293-D1350 IonicContact NH2-OD2 3.55Å; R1293-D1350 PolarHBondContact NH2-OD2 3.04Å; R1293-L1352 HydrophobicContact CB-CD2 4.12Å; R1293-L1529 HydrophobicContact CB-CB 4.46Å; R1293-L1529 HydrophobicContact CG-CB 4.1Å; R1293-L1529 HydrophobicContact CG-CD1 4.23Å; R1293-L1529 PolarHBondContact O-N 3.22Å; R1293-P1530 WeakPolarHBondContact CD-O 3Å; R1293-P1530 PolarHBondContact NH1-O 2.82Å; R1293-D1532 PolarHBondContact NH1-O 2.83Å |
| 1294 | T | 92.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 29 Ų | 29 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.9 | -170.9 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | Q1292 V1351 L1353 I1526 | Q1292-T1294 PolarHBondContact O-N 2.95Å; Q1292-T1294 PolarHBondContact O-OG1 3.21Å; Q1292-T1294 VanDerWaalsContact O-OG1 3.13Å; T1294-V1351 PolarHBondContact N-O 3.17Å; T1294-V1351 PolarHBondContact O-N 2.92Å; T1294-V1351 VanDerWaalsContact O-O 3.11Å; T1294-L1353 HydrophobicContact CG2-CD1 3.96Å; T1294-I1526 HydrophobicContact CG2-CG2 3.55Å |
| 1295 | G | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L1349 I1526 Y1527 | G1295-L1349 WeakPolarHBondContact CA-O 3.22Å; G1295-I1526 WeakPolarHBondContact O-CA 3.21Å; G1295-Y1527 PolarHBondContact N-O 2.98Å; G1295-Y1527 PolarHBondContact O-N 3.33Å |
| 1296 | I | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 107.6 | 164.6 | -48.9 | 175.7 | 0 | 0 | 0 | 107 | I1298 I1323 F1348 L1349 V1351 L1353 F1524 R1525 I1526 | I1296-I1298 HydrophobicContact CG2-CG1 3.88Å; I1296-I1323 HydrophobicContact CD1-CD1 4.04Å; I1296-I1323 HydrophobicContact CD1-CG2 3.52Å; I1296-F1348 WeakPolarHBondContact O-CA 3.35Å; I1296-L1349 HydrophobicContact CB-CB 4.21Å; I1296-L1349 HydrophobicContact CD1-CD1 4.31Å; I1296-L1349 PolarHBondContact N-O 3.41Å; I1296-L1349 PolarHBondContact O-N 3.09Å; I1296-V1351 HydrophobicContact CD1-CG1 3.8Å; I1296-V1351 HydrophobicContact CG1-CG1 3.94Å; I1296-L1353 HydrophobicContact CD1-CD1 4.17Å; I1296-L1353 HydrophobicContact CG1-CD1 4.49Å; I1296-F1524 HydrophobicContact CG2-CB 4.45Å; I1296-F1524 HydrophobicContact CG2-CD1 4.36Å; I1296-R1525 WeakPolarHBondContact CA-O 3.45Å; I1296-I1526 HydrophobicContact CG1-CG1 4.27Å; I1296-I1526 HydrophobicContact CG2-CG1 4.15Å |
| 1297 | E | 94.2 | Very high | 90.6 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 132.4 | 161.1 | -73 | -178.8 | -117.6 | 0 | 0 | 109.3 | F1348 F1524 R1525 Y1527 R1540 Y1541 F1542 | E1297-F1348 HydrophobicContact CG-CD2 3.74Å; E1297-F1348 HydrophobicContact CG-CE2 4.12Å; E1297-F1524 CarbonylContact O-C 3.49Å; E1297-F1524 VanDerWaalsContact O-CA 3.31Å; E1297-F1524 WeakPolarHBondContact O-CA 3.42Å; E1297-R1525 HydrophobicContact CB-CB 4.29Å; E1297-R1525 PolarHBondContact N-O 3.47Å; E1297-R1525 PolarHBondContact O-N 3.24Å; E1297-Y1527 HydrophobicContact CG-CE1 4.03Å; E1297-Y1527 VanDerWaalsContact OE1-CE1 3.25Å; E1297-Y1527 WeakPolarHBondContact OE1-CE1 3.36Å; E1297-Y1527 PolarHBondContact OE1-OH 2.85Å; E1297-R1540 HydrophobicContact CG-CG 4.38Å; E1297-R1540 VanDerWaalsContact OE1-CA 3.25Å; E1297-R1540 WeakPolarHBondContact OE1-CA 3.13Å; E1297-R1540 WeakPolarHBondContact OE2-CB 3.24Å; E1297-Y1541 VanDerWaalsContact CD-N 3.27Å; E1297-Y1541 PolarHBondContact OE1-N 2.91Å; E1297-Y1541 PolarHBondContact OE2-N 2.69Å; E1297-F1542 HydrophobicContact CB-CD2 3.73Å; E1297-F1542 HydrophobicContact CB-CE2 3.86Å; E1297-F1542 PolarHBondContact OE2-N 3.14Å |
| 1298 | I | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.6 | -179.9 | -49.5 | -179.5 | 0 | 0 | 0 | 108.5 | I1296 C1300 F1321 V1328 L1347 L1349 F1524 | I1296-I1298 HydrophobicContact CG2-CG1 3.88Å; I1298-C1300 HydrophobicContact CG2-CB 4.2Å; I1298-C1300 PolarHBondContact O-N 3.11Å; I1298-F1321 HydrophobicContact CD1-CB 3.91Å; I1298-F1321 HydrophobicContact CD1-CD1 4.17Å; I1298-F1321 HydrophobicContact CD1-CD2 4.13Å; I1298-F1321 HydrophobicContact CD1-CG 3.81Å; I1298-F1321 HydrophobicContact CG2-CD1 4.27Å; I1298-F1321 HydrophobicContact CG2-CD2 4.43Å; I1298-F1321 HydrophobicContact CG2-CE1 3.89Å; I1298-F1321 HydrophobicContact CG2-CE2 4.07Å; I1298-F1321 HydrophobicContact CG2-CZ 3.79Å; I1298-V1328 HydrophobicContact CD1-CG1 3.77Å; I1298-L1347 HydrophobicContact CB-CB 4.12Å; I1298-L1347 HydrophobicContact CD1-CB 4.5Å; I1298-L1347 PolarHBondContact N-O 2.84Å; I1298-L1347 PolarHBondContact O-N 2.81Å; I1298-L1349 HydrophobicContact CD1-CD1 4.11Å; I1298-L1349 HydrophobicContact CD1-CG 4.41Å; I1298-F1524 HydrophobicContact CB-CD1 4.23Å; I1298-F1524 HydrophobicContact CB-CE1 4.39Å; I1298-F1524 HydrophobicContact CG1-CD1 3.98Å; I1298-F1524 HydrophobicContact CG1-CE1 4.24Å; I1298-F1524 HydrophobicContact CG2-CD1 3.92Å; I1298-F1524 HydrophobicContact CG2-CE1 3.64Å |
| 1299 | L | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 90.3 | 162.7 | 179.7 | 59.5 | 0 | 0 | 0 | 108 | W1301 P1345 L1346 F1497 C1498 G1522 T1523 F1542 L1545 | L1299-W1301 HydrophobicContact CD1-CE3 4.19Å; L1299-W1301 PolarHBondContact O-N 3.3Å; L1299-P1345 HydrophobicContact CD1-CB 4.2Å; L1299-P1345 HydrophobicContact CD1-CG 4.44Å; L1299-L1346 HydrophobicContact CD1-CD2 3.77Å; L1299-F1497 HydrophobicContact CD2-CD1 4.42Å; L1299-F1497 HydrophobicContact CD2-CE1 3.99Å; L1299-F1497 HydrophobicContact CD2-CE2 4.31Å; L1299-F1497 HydrophobicContact CD2-CZ 3.93Å; L1299-C1498 HydrophobicContact CD2-CB 4.48Å; L1299-G1522 CarbonylContact O-C 3.49Å; L1299-G1522 WeakPolarHBondContact O-CA 3.29Å; L1299-T1523 HydrophobicContact CB-CG2 4.11Å; L1299-T1523 HydrophobicContact CD2-CG2 4.2Å; L1299-T1523 PolarHBondContact N-O 2.97Å; L1299-T1523 PolarHBondContact O-N 3.46Å; L1299-T1523 VanDerWaalsContact O-N 3.1Å; L1299-F1542 HydrophobicContact CB-CD2 4.14Å; L1299-F1542 HydrophobicContact CB-CE1 4.43Å; L1299-F1542 HydrophobicContact CB-CE2 3.87Å; L1299-F1542 HydrophobicContact CB-CZ 4.02Å; L1299-L1545 HydrophobicContact CD1-CD1 3.99Å; L1299-L1545 HydrophobicContact CD1-CD2 4.07Å |
| 1300 | C | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 81.9 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 109 | I1298 F1321 F1342 P1345 L1347 F1520 | I1298-C1300 HydrophobicContact CG2-CB 4.2Å; I1298-C1300 PolarHBondContact O-N 3.11Å; C1300-F1321 HydrophobicContact CB-CE2 3.8Å; C1300-F1321 HydrophobicContact CB-CZ 3.82Å; C1300-F1321 VanDerWaalsContact SG-CE2 3.57Å; C1300-F1342 VanDerWaalsContact O-CD2 3.31Å; C1300-F1342 WeakPolarHBondContact O-CD2 3.48Å; C1300-F1342 WeakPolarHBondContact SG-CD2 3.07Å; C1300-F1342 VanDerWaalsContact SG-CE2 3.56Å; C1300-P1345 WeakPolarHBondContact CA-O 3.46Å; C1300-P1345 WeakPolarHBondContact CB-O 3.22Å; C1300-P1345 PolarHBondContact N-O 2.71Å; C1300-P1345 VanDerWaalsContact O-CA 3.23Å; C1300-P1345 WeakPolarHBondContact O-CA 3.44Å; C1300-P1345 WeakPolarHBondContact O-CB 3.3Å; C1300-L1347 HydrophobicContact CB-CD1 4.03Å; C1300-L1347 HydrophobicContact CB-CG 4.46Å; C1300-F1520 HydrophobicContact CB-CE2 4.45Å |
| 1301 | W | 94.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -53.1 | -168.9 | -173.2 | -119.4 | 0 | 0 | 0 | 113.1 | L1299 N1341 F1342 P1345 F1497 K1521 V1547 S1548 E1643 L1647 | L1299-W1301 HydrophobicContact CD1-CE3 4.19Å; L1299-W1301 PolarHBondContact O-N 3.3Å; W1301-N1341 CarbonylContact O-C 3.57Å; W1301-N1341 VanDerWaalsContact O-CA 3.22Å; W1301-N1341 WeakPolarHBondContact O-CA 3.26Å; W1301-N1341 WeakPolarHBondContact O-CB 3.35Å; W1301-F1342 PolarHBondContact O-N 3.47Å; W1301-P1345 HydrophobicContact CE3-CB 4.34Å; W1301-P1345 HydrophobicContact CE3-CG 4.39Å; W1301-F1497 AromaticContact CD2-CE1 3.85Å; W1301-F1497 HydrophobicContact CD2-CE1 3.85Å; W1301-F1497 HydrophobicContact CD2-CZ 4.29Å; W1301-F1497 AromaticContact CE2-CE1 3.9Å; W1301-F1497 HydrophobicContact CE3-CE1 4.03Å; W1301-F1497 HydrophobicContact CE3-CZ 4.02Å; W1301-F1497 HydrophobicContact CG-CE1 4.3Å; W1301-F1497 HydrophobicContact CH2-CE1 4.29Å; W1301-F1497 AromaticContact CH2-CZ 3.99Å; W1301-F1497 HydrophobicContact CH2-CZ 3.99Å; W1301-F1497 HydrophobicContact CZ2-CE1 4.14Å; W1301-F1497 HydrophobicContact CZ2-CZ 4.28Å; W1301-F1497 HydrophobicContact CZ3-CE1 4.26Å; W1301-F1497 AromaticContact CZ3-CZ 3.87Å; W1301-F1497 HydrophobicContact CZ3-CZ 3.87Å; W1301-K1521 WeakPolarHBondContact CB-O 3.06Å; W1301-K1521 PolarHBondContact N-O 3.41Å; W1301-K1521 VanDerWaalsContact N-O 3.08Å; W1301-V1547 HydrophobicContact CH2-CG1 4.36Å; W1301-S1548 WeakPolarHBondContact CH2-O 3.33Å; W1301-E1643 PolarHBondContact NE1-OE1 3.48Å; W1301-L1647 HydrophobicContact CZ2-CD1 4.29Å; W1301-L1647 HydrophobicContact CZ2-CD2 4.25Å |
| 1302 | G | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179 | -173.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1340 F1520 K1521 | G1302-P1340 WeakPolarHBondContact CA-O 3.45Å; G1302-F1520 WeakPolarHBondContact O-CD2 3.47Å; G1302-K1521 PolarHBondContact N-O 3.14Å; G1302-K1521 VanDerWaalsContact N-O 3.16Å; G1302-K1521 PolarHBondContact O-N 3.12Å |
| 1303 | V | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 148.8 | 174 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | M1306 P1317 V1319 I1333 V1336 P1340 F1342 V1367 E1519 | V1303-M1306 HydrophobicContact CB-CG 3.99Å; V1303-M1306 HydrophobicContact CB-SD 4.05Å; V1303-M1306 HydrophobicContact CG1-SD 4.5Å; V1303-M1306 HydrophobicContact CG2-CG 3.95Å; V1303-P1317 HydrophobicContact CG2-CG 3.83Å; V1303-V1319 HydrophobicContact CG1-CG2 4.47Å; V1303-I1333 HydrophobicContact CG2-CD1 4.16Å; V1303-V1336 HydrophobicContact CG2-CG1 4.37Å; V1303-V1336 HydrophobicContact CG2-CG2 4.09Å; V1303-P1340 PolarHBondContact N-O 2.75Å; V1303-P1340 WeakPolarHBondContact O-CB 3.32Å; V1303-F1342 HydrophobicContact CG1-CE2 4.45Å; V1303-F1342 HydrophobicContact CG1-CZ 4.4Å; V1303-V1367 HydrophobicContact CG1-CG1 4.3Å; V1303-E1519 CarbonylContact C-O 3.57Å; V1303-E1519 VanDerWaalsContact CA-O 3.28Å; V1303-E1519 WeakPolarHBondContact CA-O 3.42Å |
| 1304 | R | 93.2 | Very high | 90.8 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 4% | 0.038 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 161.3 | 178.4 | -53 | -68.2 | 174.5 | -94.8 | -3.4 | 110.2 | M1306 P1340 N1341 E1519 K1521 K1617 E1643 | R1304-M1306 PolarHBondContact O-N 2.83Å; R1304-P1340 PolarHBondContact NH1-O 2.8Å; R1304-N1341 PolarHBondContact NH1-OD1 3.4Å; R1304-N1341 PolarHBondContact NH2-OD1 3.12Å; R1304-E1519 HydrophobicContact CB-CB 3.88Å; R1304-E1519 PolarHBondContact N-O 3.47Å; R1304-E1519 PolarHBondContact O-N 2.98Å; R1304-K1521 HydrophobicContact CG-CD 4.23Å; R1304-K1521 HydrophobicContact CG-CG 4.27Å; R1304-K1617 HydrophobicContact CG-CD 4.23Å; R1304-E1643 IonicContact CZ-OE1 3.5Å; R1304-E1643 IonicContact CZ-OE2 3.53Å; R1304-E1643 IonicContact NE-OE1 2.73Å; R1304-E1643 IonicContact NE-OE2 2.72Å; R1304-E1643 PolarHBondContact NE-OE2 3.09Å; R1304-E1643 VanDerWaalsContact NH2-CD 3.3Å; R1304-E1643 IonicContact NH2-OE1 3.71Å; R1304-E1643 PolarHBondContact NH2-OE1 3.41Å; R1304-E1643 IonicContact NH2-OE2 3.16Å; R1304-E1643 PolarHBondContact NH2-OE2 3.08Å; R1304-E1643 VanDerWaalsContact NH2-OE2 3.15Å |
| 1305 | A | 89 | Confident | 90.8 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 41% | 0.405 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 48 | 25.6 | 171 | 0 | 0 | 0 | 0 | 0 | 117 | R1307 Y1516 | A1305-R1307 PolarHBondContact O-N 3.38Å; A1305-R1307 VanDerWaalsContact O-N 3.1Å; A1305-Y1516 HydrophobicContact CB-CE1 4.38Å; A1305-Y1516 WeakPolarHBondContact CB-OH 3.48Å |
| 1306 | M | 92 | Very high | 90.9 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | trans | -62 | 114.1 | -173.9 | -65.4 | -58 | -61.4 | 0 | 0 | 111.8 | V1303 R1304 V1314 V1367 V1379 L1503 | V1303-M1306 HydrophobicContact CB-CG 3.99Å; V1303-M1306 HydrophobicContact CB-SD 4.05Å; V1303-M1306 HydrophobicContact CG1-SD 4.5Å; V1303-M1306 HydrophobicContact CG2-CG 3.95Å; R1304-M1306 PolarHBondContact O-N 2.83Å; M1306-V1314 HydrophobicContact CB-CB 4.04Å; M1306-V1314 HydrophobicContact CB-CG1 4.37Å; M1306-V1314 HydrophobicContact CB-CG2 4.36Å; M1306-V1314 HydrophobicContact CE-CG1 4.34Å; M1306-V1314 HydrophobicContact CE-CG2 4.25Å; M1306-V1314 HydrophobicContact CG-CG1 4.44Å; M1306-V1367 HydrophobicContact CE-CB 4.49Å; M1306-V1367 HydrophobicContact CE-CG1 4.03Å; M1306-V1379 HydrophobicContact CE-CG2 3.71Å; M1306-L1503 HydrophobicContact CE-CD1 4.1Å; M1306-L1503 HydrophobicContact SD-CD1 3.73Å | ||
| 1307 | R | 88.8 | Confident | 91 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 35% | 0.347 | 22% | 0.221 | S | C | . | . | trans | -72.3 | 162.5 | 178.4 | -66.1 | -164.2 | -179.8 | 171.1 | -4.7 | 111.7 | A1305 Y1309 D1514 Y1516 A1517 | A1305-R1307 PolarHBondContact O-N 3.38Å; A1305-R1307 VanDerWaalsContact O-N 3.1Å; R1307-Y1309 PolarHBondContact O-N 2.74Å; R1307-D1514 IonicContact CZ-OD2 3.11Å; R1307-D1514 IonicContact NH1-OD1 2.7Å; R1307-D1514 PolarHBondContact NH1-OD1 2.84Å; R1307-D1514 IonicContact NH1-OD2 3.27Å; R1307-D1514 PolarHBondContact NH1-OD2 2.77Å; R1307-D1514 IonicContact NH2-OD1 3.17Å; R1307-D1514 IonicContact NH2-OD2 2.77Å; R1307-D1514 PolarHBondContact NH2-OD2 2.79Å; R1307-Y1516 WeakPolarHBondContact CD-O 3.49Å; R1307-Y1516 HydrophobicContact CG-CD1 4.05Å; R1307-Y1516 HydrophobicContact CG-CE1 4.29Å; R1307-Y1516 VanDerWaalsContact NE-CD1 3.31Å; R1307-Y1516 PolarHBondContact NH1-O 3.45Å; R1307-A1517 PolarHBondContact N-O 3.4Å | ||
| 1308 | K | 88.2 | Confident | 91.1 | Very high | 129 Ų | 129 | 42.4 Ų | 42.4 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | trans | -65.7 | 129.6 | 174.2 | -67.9 | 175.8 | 178.5 | 176.3 | 0 | 110.5 | A1312 R1505 | K1308-A1312 CarbonylContact C-O 3.53Å; K1308-A1312 VanDerWaalsContact CA-O 3.28Å; K1308-A1312 WeakPolarHBondContact CA-O 3.39Å; K1308-R1505 PolarHBondContact O-NH2 2.96Å | ||
| 1309 | Y | 83.4 | Confident | 91.2 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 19% | 0.192 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -109.9 | 120.7 | 174.7 | 179.2 | -89.6 | 0 | 0 | 0 | 110.3 | R1307 A1312 R1371 P1377 M1378 V1379 | R1307-Y1309 PolarHBondContact O-N 2.74Å; Y1309-A1312 PolarHBondContact N-O 2.69Å; Y1309-A1312 PolarHBondContact O-N 2.92Å; Y1309-R1371 PolarHBondContact O-NH1 2.86Å; Y1309-R1371 PolarHBondContact O-NH2 3.12Å; Y1309-R1371 VanDerWaalsContact O-NH2 3.13Å; Y1309-P1377 HydrophobicContact CD1-CB 4.22Å; Y1309-P1377 HydrophobicContact CE1-CB 3.68Å; Y1309-P1377 HydrophobicContact CE1-CG 4.4Å; Y1309-M1378 WeakPolarHBondContact CE2-O 3.44Å; Y1309-V1379 HydrophobicContact CD1-CG1 3.93Å; Y1309-V1379 HydrophobicContact CD2-CB 4.35Å; Y1309-V1379 HydrophobicContact CD2-CG1 4.26Å; Y1309-V1379 HydrophobicContact CG-CB 4.2Å; Y1309-V1379 HydrophobicContact CG-CG1 3.72Å |
| 1310 | K | 82.4 | Confident | 91.1 | Very high | 160 Ų | 160 | 43.1 Ų | 43.1 | 70% | 0.696 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 55.1 | -170.7 | -64.2 | -178.9 | 179.3 | 176.1 | 0 | 111.5 | A1312 | K1310-A1312 PolarHBondContact O-N 3.41Š|
| 1311 | L | 81.1 | Confident | 91.1 | Very high | 168 Ų | 168 | 43.1 Ų | 43.1 | 88% | 0.88 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -13.1 | -176.8 | -58.4 | 173.1 | 0 | 0 | 0 | 116.8 | ||
| 1312 | A | 86.3 | Confident | 90.8 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -89.4 | 140.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1308 Y1309 K1310 | K1308-A1312 CarbonylContact C-O 3.53Å; K1308-A1312 VanDerWaalsContact CA-O 3.28Å; K1308-A1312 WeakPolarHBondContact CA-O 3.39Å; Y1309-A1312 PolarHBondContact N-O 2.69Å; Y1309-A1312 PolarHBondContact O-N 2.92Å; K1310-A1312 PolarHBondContact O-N 3.41Å |
| 1313 | S | 89.3 | Confident | 90.5 | Very high | 64 Ų | 64 | 46.5 Ų | 46.5 | 45% | 0.448 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 137 | 172.1 | -69 | 0 | 0 | 0 | 0 | 111.3 | N1315 | S1313-N1315 PolarHBondContact O-N 2.68Š|
| 1314 | V | 91 | Very high | 89.7 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -65 | 128.5 | 167 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | M1306 P1317 D1369 V1379 | M1306-V1314 HydrophobicContact CB-CB 4.04Å; M1306-V1314 HydrophobicContact CB-CG1 4.37Å; M1306-V1314 HydrophobicContact CB-CG2 4.36Å; M1306-V1314 HydrophobicContact CE-CG1 4.34Å; M1306-V1314 HydrophobicContact CE-CG2 4.25Å; M1306-V1314 HydrophobicContact CG-CG1 4.44Å; V1314-P1317 HydrophobicContact CG1-CB 4.03Å; V1314-P1317 HydrophobicContact CG1-CG 4.1Å; V1314-D1369 HydrophobicContact CG1-CB 4.06Å; V1314-D1369 HydrophobicContact CG2-CB 4.46Å; V1314-V1379 HydrophobicContact CG1-CG2 4.38Å; V1314-V1379 HydrophobicContact CG2-CB 3.99Å; V1314-V1379 HydrophobicContact CG2-CG1 4.07Å; V1314-V1379 HydrophobicContact CG2-CG2 3.9Å |
| 1315 | N | 92.8 | Very high | 88.9 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | trans | -135.4 | -28.7 | -179.8 | 175.6 | 81.7 | 0 | 0 | 0 | 113.5 | S1313 S1335 V1336 D1369 | S1313-N1315 PolarHBondContact O-N 2.68Å; N1315-S1335 CarbonylContact O-C 3.29Å; N1315-S1335 VanDerWaalsContact O-CA 3.28Å; N1315-S1335 WeakPolarHBondContact O-CA 3.43Å; N1315-S1335 PolarHBondContact OD1-OG 2.98Å; N1315-V1336 WeakPolarHBondContact O-CG2 3.45Å; N1315-V1336 PolarHBondContact O-N 2.72Å; N1315-D1369 PolarHBondContact N-OD1 3.14Å | ||
| 1316 | S | 94.8 | Very high | 88.8 | Confident | 24 Ų | 24 | 53 Ų | 53 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -128.8 | 62.8 | -176.3 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | I1333 K1334 D1369 H1370 | S1316-I1333 WeakPolarHBondContact CA-O 3.44Å; S1316-K1334 PolarHBondContact OG-O 3.38Å; S1316-D1369 PolarHBondContact N-OD1 3.24Å; S1316-H1370 WeakPolarHBondContact O-CB 3.47Å; S1316-H1370 PolarHBondContact O-CD2 2.83Å; S1316-H1370 PolarHBondContact O-N 2.83Å |
| 1317 | P | 96 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 153.5 | -174.6 | 31.8 | -34.6 | 0 | 0 | 0 | 114.5 | V1303 V1314 I1333 V1336 V1367 R1368 | V1303-P1317 HydrophobicContact CG2-CG 3.83Å; V1314-P1317 HydrophobicContact CG1-CB 4.03Å; V1314-P1317 HydrophobicContact CG1-CG 4.1Å; P1317-I1333 HydrophobicContact CG-CB 4.18Å; P1317-I1333 HydrophobicContact CG-CD1 4.17Å; P1317-I1333 PolarHBondContact O-N 3.16Å; P1317-V1336 HydrophobicContact CG-CG2 3.49Å; P1317-V1336 VanDerWaalsContact CG-CG2 3.49Å; P1317-V1367 HydrophobicContact CB-CG1 3.81Å; P1317-R1368 CarbonylContact C-O 3.42Å; P1317-R1368 WeakPolarHBondContact CA-O 3.49Å |
| 1318 | S | 96 | Very high | 88.9 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 161.3 | 156.9 | 63.7 | 0 | 0 | 0 | 0 | 109.6 | V1367 R1368 H1370 | S1318-V1367 WeakPolarHBondContact O-CA 3.44Å; S1318-R1368 PolarHBondContact N-O 3.3Å; S1318-R1368 PolarHBondContact O-N 2.93Å; S1318-H1370 PolarHBondContact OG-NE2 3.48Å |
| 1319 | V | 95.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.8 | 172.7 | -170.2 | 0 | 0 | 0 | 0 | 109 | V1303 F1321 E1329 S1330 F1342 I1365 C1366 V1367 F1520 | V1303-V1319 HydrophobicContact CG1-CG2 4.47Å; V1319-F1321 HydrophobicContact CB-CE2 3.88Å; V1319-F1321 HydrophobicContact CB-CZ 4.14Å; V1319-F1321 HydrophobicContact CG1-CD2 4.17Å; V1319-F1321 HydrophobicContact CG1-CE1 4.1Å; V1319-F1321 HydrophobicContact CG1-CE2 3.66Å; V1319-F1321 HydrophobicContact CG1-CZ 3.61Å; V1319-E1329 CarbonylContact O-C 3.51Å; V1319-E1329 WeakPolarHBondContact O-CA 3.37Å; V1319-S1330 PolarHBondContact N-OG 3.26Å; V1319-S1330 PolarHBondContact O-N 2.97Å; V1319-F1342 HydrophobicContact CG2-CE2 3.79Å; V1319-F1342 HydrophobicContact CG2-CZ 3.62Å; V1319-I1365 HydrophobicContact CG1-CG2 3.58Å; V1319-C1366 CarbonylContact C-O 3.09Å; V1319-C1366 WeakPolarHBondContact CA-O 3.42Å; V1319-V1367 HydrophobicContact CG2-CG2 4.19Å; V1319-F1520 HydrophobicContact CG2-CD2 4.08Å; V1319-F1520 HydrophobicContact CG2-CE2 4.33Å |
| 1320 | E | 93.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.1 | 170.8 | -53.1 | -179.4 | 172.3 | 0 | 0 | 107 | V1327 E1329 C1366 R1368 K1376 | E1320-V1327 HydrophobicContact CB-CG1 4.26Å; E1320-E1329 HydrophobicContact CG-CG 3.95Å; E1320-C1366 HydrophobicContact CB-CB 4.41Å; E1320-C1366 PolarHBondContact N-O 2.98Å; E1320-C1366 PolarHBondContact O-N 3.39Å; E1320-R1368 WeakPolarHBondContact OE1-CD 3.38Å; E1320-R1368 IonicContact OE1-CZ 3.04Å; E1320-R1368 IonicContact OE1-NE 2.72Å; E1320-R1368 PolarHBondContact OE1-NE 2.94Å; E1320-R1368 IonicContact OE1-NH2 2.6Å; E1320-R1368 IonicContact OE2-CZ 2.66Å; E1320-R1368 IonicContact OE2-NE 3.1Å; E1320-R1368 PolarHBondContact OE2-NE 3.31Å; E1320-R1368 IonicContact OE2-NH2 2.66Å; E1320-R1368 PolarHBondContact OE2-NH2 3.36Å; E1320-K1376 IonicContact OE1-NZ 3.69Å; E1320-K1376 PolarHBondContact OE1-NZ 3.32Å |
| 1321 | F | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.6 | 173.4 | -59.8 | -94 | 0 | 0 | 0 | 108.8 | I1298 C1300 V1319 V1327 V1328 L1347 M1363 N1364 I1365 F1520 F1524 | I1298-F1321 HydrophobicContact CD1-CB 3.91Å; I1298-F1321 HydrophobicContact CD1-CD1 4.17Å; I1298-F1321 HydrophobicContact CD1-CD2 4.13Å; I1298-F1321 HydrophobicContact CD1-CG 3.81Å; I1298-F1321 HydrophobicContact CG2-CD1 4.27Å; I1298-F1321 HydrophobicContact CG2-CD2 4.43Å; I1298-F1321 HydrophobicContact CG2-CE1 3.89Å; I1298-F1321 HydrophobicContact CG2-CE2 4.07Å; I1298-F1321 HydrophobicContact CG2-CZ 3.79Å; C1300-F1321 HydrophobicContact CB-CE2 3.8Å; C1300-F1321 HydrophobicContact CB-CZ 3.82Å; C1300-F1321 VanDerWaalsContact SG-CE2 3.57Å; V1319-F1321 HydrophobicContact CB-CE2 3.88Å; V1319-F1321 HydrophobicContact CB-CZ 4.14Å; V1319-F1321 HydrophobicContact CG1-CD2 4.17Å; V1319-F1321 HydrophobicContact CG1-CE1 4.1Å; V1319-F1321 HydrophobicContact CG1-CE2 3.66Å; V1319-F1321 HydrophobicContact CG1-CZ 3.61Å; F1321-V1327 CarbonylContact O-C 3.58Å; F1321-V1327 VanDerWaalsContact O-CA 3.25Å; F1321-V1327 WeakPolarHBondContact O-CA 3.22Å; F1321-V1328 HydrophobicContact CB-CG1 4.03Å; F1321-V1328 HydrophobicContact CD2-CG1 4.32Å; F1321-V1328 PolarHBondContact N-O 3.5Å; F1321-V1328 PolarHBondContact O-N 2.71Å; F1321-L1347 HydrophobicContact CD2-CD1 3.89Å; F1321-L1347 HydrophobicContact CE2-CD1 3.77Å; F1321-M1363 HydrophobicContact CD1-SD 4.43Å; F1321-N1364 WeakPolarHBondContact CA-O 3.27Å; F1321-I1365 HydrophobicContact CD1-CG1 4.08Å; F1321-I1365 HydrophobicContact CD1-CG2 4.24Å; F1321-I1365 HydrophobicContact CE1-CG1 4.25Å; F1321-I1365 HydrophobicContact CE1-CG2 3.87Å; F1321-F1520 AromaticContact CE1-CE1 3.79Å; F1321-F1520 HydrophobicContact CE1-CE1 3.79Å; F1321-F1520 HydrophobicContact CE1-CE2 4.45Å; F1321-F1520 AromaticContact CE1-CZ 3.67Å; F1321-F1520 HydrophobicContact CE1-CZ 3.67Å; F1321-F1520 HydrophobicContact CZ-CE1 4.04Å; F1321-F1520 AromaticContact CZ-CE2 3.87Å; F1321-F1520 HydrophobicContact CZ-CE2 3.87Å; F1321-F1520 AromaticContact CZ-CZ 3.43Å; F1321-F1520 HydrophobicContact CZ-CZ 3.43Å; F1321-F1520 VanDerWaalsContact CZ-CZ 3.43Å; F1321-F1524 AromaticContact CD1-CE1 3.96Å; F1321-F1524 HydrophobicContact CD1-CE1 3.96Å; F1321-F1524 HydrophobicContact CD1-CZ 4.29Å; F1321-F1524 AromaticContact CE1-CE1 3.84Å; F1321-F1524 HydrophobicContact CE1-CE1 3.84Å; F1321-F1524 HydrophobicContact CE1-CZ 4.01Å |
| 1322 | E | 89.4 | Confident | 90.9 | Very high | 73 Ų | 73 | 40 Ų | 40 | 34% | 0.341 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.9 | 179.4 | 174.5 | -172.6 | -142.8 | 0 | 0 | 110.6 | K1326 V1327 M1363 N1364 | E1322-K1326 WeakPolarHBondContact CA-O 3.49Å; E1322-V1327 HydrophobicContact CB-CG2 4.17Å; E1322-V1327 HydrophobicContact CG-CG2 4.14Å; E1322-M1363 CarbonylContact O-C 3.59Å; E1322-M1363 VanDerWaalsContact O-CA 3.31Å; E1322-M1363 WeakPolarHBondContact O-CA 3.28Å; E1322-N1364 HydrophobicContact CB-CB 4.25Å; E1322-N1364 PolarHBondContact N-O 3.49Å; E1322-N1364 PolarHBondContact O-N 3.04Å; E1322-N1364 PolarHBondContact OE2-ND2 3.14Å |
| 1323 | I | 88.5 | Confident | 91.3 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 138.1 | 170.5 | -173.1 | -179.9 | 0 | 0 | 0 | 109.5 | I1296 G1325 K1326 L1349 L1353 P1361 M1363 F1387 | I1296-I1323 HydrophobicContact CD1-CD1 4.04Å; I1296-I1323 HydrophobicContact CD1-CG2 3.52Å; I1323-G1325 PolarHBondContact O-N 3.47Å; I1323-K1326 PolarHBondContact N-O 2.86Å; I1323-K1326 VanDerWaalsContact N-O 3.07Å; I1323-K1326 PolarHBondContact O-N 2.96Å; I1323-L1349 HydrophobicContact CG2-CD1 3.76Å; I1323-L1353 HydrophobicContact CD1-CD1 4.08Å; I1323-L1353 HydrophobicContact CD1-CD2 3.94Å; I1323-L1353 HydrophobicContact CG1-CD2 3.97Å; I1323-P1361 HydrophobicContact CG1-CG 4.01Å; I1323-M1363 HydrophobicContact CB-CB 4.11Å; I1323-M1363 HydrophobicContact CB-CG 4.17Å; I1323-M1363 HydrophobicContact CD1-CB 4.24Å; I1323-M1363 HydrophobicContact CG1-CB 4.41Å; I1323-M1363 HydrophobicContact CG2-SD 4.45Å; I1323-F1387 HydrophobicContact CD1-CE1 3.92Å; I1323-F1387 HydrophobicContact CD1-CZ 3.72Å |
| 1324 | G | 79.1 | Confident | 91.3 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 37% | 0.371 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 31.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | K1326 | G1324-K1326 PolarHBondContact O-N 2.9Š|
| 1325 | G | 75.8 | Confident | 91.3 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 6.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1323 | I1323-G1325 PolarHBondContact O-N 3.47Š|
| 1326 | K | 87.2 | Confident | 91.2 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.2 | 169.1 | -68.5 | -162.5 | 179 | -173.4 | 0 | 110.2 | E1322 I1323 G1324 L1349 D1350 V1351 | E1322-K1326 WeakPolarHBondContact CA-O 3.49Å; I1323-K1326 PolarHBondContact N-O 2.86Å; I1323-K1326 VanDerWaalsContact N-O 3.07Å; I1323-K1326 PolarHBondContact O-N 2.96Å; G1324-K1326 PolarHBondContact O-N 2.9Å; K1326-L1349 HydrophobicContact CB-CD2 4.15Å; K1326-D1350 VanDerWaalsContact CD-O 3.3Å; K1326-D1350 WeakPolarHBondContact CD-O 3.43Å; K1326-D1350 WeakPolarHBondContact CE-O 3.45Å; K1326-D1350 PolarHBondContact NZ-O 3.06Å; K1326-V1351 HydrophobicContact CD-CB 4.18Å; K1326-V1351 HydrophobicContact CD-CG2 4.45Å |
| 1327 | V | 89.5 | Confident | 90.9 | Very high | 78 Ų | 78 | 50.2 Ų | 50.2 | 47% | 0.473 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.8 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | E1320 F1321 E1322 | E1320-V1327 HydrophobicContact CB-CG1 4.26Å; F1321-V1327 CarbonylContact O-C 3.58Å; F1321-V1327 VanDerWaalsContact O-CA 3.25Å; F1321-V1327 WeakPolarHBondContact O-CA 3.22Å; E1322-V1327 HydrophobicContact CB-CG2 4.17Å; E1322-V1327 HydrophobicContact CG-CG2 4.14Å |
| 1328 | V | 93.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 17% | 0.17 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.6 | 162.7 | 65.2 | 0 | 0 | 0 | 0 | 109.8 | I1298 F1321 L1347 L1349 | I1298-V1328 HydrophobicContact CD1-CG1 3.77Å; F1321-V1328 HydrophobicContact CB-CG1 4.03Å; F1321-V1328 HydrophobicContact CD2-CG1 4.32Å; F1321-V1328 PolarHBondContact N-O 3.5Å; F1321-V1328 PolarHBondContact O-N 2.71Å; V1328-L1347 HydrophobicContact CG1-CB 4.25Å; V1328-L1347 HydrophobicContact CG1-CD1 4.2Å; V1328-L1347 HydrophobicContact CG2-CB 4.09Å; V1328-L1347 HydrophobicContact CG2-CD1 4.25Å; V1328-L1347 HydrophobicContact CG2-CD2 4.28Å; V1328-L1347 HydrophobicContact CG2-CG 4.44Å; V1328-L1349 HydrophobicContact CB-CD2 3.75Å; V1328-L1349 HydrophobicContact CB-CG 4.3Å; V1328-L1349 HydrophobicContact CG1-CD1 4.06Å; V1328-L1349 HydrophobicContact CG1-CD2 3.76Å; V1328-L1349 HydrophobicContact CG1-CG 3.76Å |
| 1329 | E | 93.8 | Very high | 90.5 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.6 | 178.5 | -49.9 | -166.3 | 176.5 | 0 | 0 | 110.7 | V1319 E1320 K1376 | V1319-E1329 CarbonylContact O-C 3.51Å; V1319-E1329 WeakPolarHBondContact O-CA 3.37Å; E1320-E1329 HydrophobicContact CG-CG 3.95Å; E1329-K1376 IonicContact OE1-NZ 3.35Å |
| 1330 | S | 95.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 60 Ų | 60 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 160.4 | 170.1 | 77.2 | 0 | 0 | 0 | 0 | 112.1 | V1319 F1342 | V1319-S1330 PolarHBondContact N-OG 3.26Å; V1319-S1330 PolarHBondContact O-N 2.97Å; S1330-F1342 WeakPolarHBondContact OG-CD1 3.38Å; S1330-F1342 WeakPolarHBondContact OG-CE1 3.33Å |
| 1331 | T | 94.3 | Very high | 90.5 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 150.2 | 169.6 | 56 | 0 | 0 | 0 | 0 | 111.2 | I1333 F1342 | T1331-I1333 PolarHBondContact O-N 2.92Å; T1331-F1342 WeakPolarHBondContact O-CD1 3.46Å; T1331-F1342 WeakPolarHBondContact O-CE1 3.42Å |
| 1332 | I | 93.5 | Very high | 90.5 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 43% | 0.431 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 127.5 | 176.6 | -57.3 | 166 | 0 | 0 | 0 | 110.6 | K1334 H1370 | I1332-K1334 PolarHBondContact O-N 2.86Å; I1332-H1370 WeakPolarHBondContact CD1-ND1 3.29Å; I1332-H1370 HydrophobicContact CG2-CB 4.4Å |
| 1333 | I | 93.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -65 | 121.8 | 166.5 | -79.3 | 162.8 | 0 | 0 | 0 | 108.7 | V1303 S1316 P1317 T1331 S1335 V1336 N1339 P1340 N1341 F1342 | V1303-I1333 HydrophobicContact CG2-CD1 4.16Å; S1316-I1333 WeakPolarHBondContact CA-O 3.44Å; P1317-I1333 HydrophobicContact CG-CB 4.18Å; P1317-I1333 HydrophobicContact CG-CD1 4.17Å; P1317-I1333 PolarHBondContact O-N 3.16Å; T1331-I1333 PolarHBondContact O-N 2.92Å; I1333-S1335 PolarHBondContact O-N 2.78Å; I1333-V1336 HydrophobicContact CG2-CB 4.46Å; I1333-V1336 HydrophobicContact CG2-CG2 3.82Å; I1333-N1339 VanDerWaalsContact CG2-O 3.31Å; I1333-N1339 WeakPolarHBondContact CG2-O 3.43Å; I1333-P1340 VanDerWaalsContact CD1-O 3.31Å; I1333-P1340 WeakPolarHBondContact CD1-O 3.46Å; I1333-N1341 WeakPolarHBondContact CG1-O 3.37Å; I1333-F1342 HydrophobicContact CB-CE1 4.39Å; I1333-F1342 HydrophobicContact CD1-CD1 3.81Å; I1333-F1342 HydrophobicContact CD1-CD2 4.21Å; I1333-F1342 HydrophobicContact CD1-CE1 3.43Å; I1333-F1342 VanDerWaalsContact CD1-CE1 3.43Å; I1333-F1342 HydrophobicContact CD1-CE2 3.86Å; I1333-F1342 HydrophobicContact CD1-CG 4.19Å; I1333-F1342 HydrophobicContact CD1-CZ 3.43Å; I1333-F1342 VanDerWaalsContact CD1-CZ 3.43Å; I1333-F1342 HydrophobicContact CG1-CD1 3.59Å; I1333-F1342 HydrophobicContact CG1-CE1 3.5Å; I1333-F1342 HydrophobicContact CG1-CG 4.24Å; I1333-F1342 HydrophobicContact CG1-CZ 4.08Å |
| 1334 | K | 90 | Very high | 90.5 | Very high | 196 Ų | 196 | 63 Ų | 63 | 85% | 0.852 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -66.2 | -39.1 | -177 | -66.6 | 179.8 | -177.9 | 172.5 | 0 | 112.6 | S1316 I1332 | S1316-K1334 PolarHBondContact OG-O 3.38Å; I1332-K1334 PolarHBondContact O-N 2.86Å |
| 1335 | S | 90.9 | Very high | 91.1 | Very high | 26 Ų | 26 | 61.9 Ų | 61.9 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | -160.5 | 113.3 | 171.8 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | N1315 I1333 K1337 K1338 N1339 | N1315-S1335 CarbonylContact O-C 3.29Å; N1315-S1335 VanDerWaalsContact O-CA 3.28Å; N1315-S1335 WeakPolarHBondContact O-CA 3.43Å; N1315-S1335 PolarHBondContact OD1-OG 2.98Å; I1333-S1335 PolarHBondContact O-N 2.78Å; S1335-K1337 PolarHBondContact O-N 3.28Å; S1335-K1337 VanDerWaalsContact O-N 3.16Å; S1335-K1338 PolarHBondContact O-N 2.86Å; S1335-N1339 PolarHBondContact O-N 3.45Å | ||
| 1336 | V | 90.5 | Very high | 91.9 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -37.5 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | V1303 N1315 P1317 I1333 K1338 N1339 P1340 | V1303-V1336 HydrophobicContact CG2-CG1 4.37Å; V1303-V1336 HydrophobicContact CG2-CG2 4.09Å; N1315-V1336 WeakPolarHBondContact O-CG2 3.45Å; N1315-V1336 PolarHBondContact O-N 2.72Å; P1317-V1336 HydrophobicContact CG-CG2 3.49Å; P1317-V1336 VanDerWaalsContact CG-CG2 3.49Å; I1333-V1336 HydrophobicContact CG2-CB 4.46Å; I1333-V1336 HydrophobicContact CG2-CG2 3.82Å; V1336-K1338 PolarHBondContact O-N 2.84Å; V1336-N1339 CarbonylContact O-C 3.52Å; V1336-P1340 HydrophobicContact CG1-CB 3.94Å |
| 1337 | K | 88 | Confident | 92.2 | Very high | 158 Ų | 158 | 59 Ų | 59 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.1 | 178.6 | -64.5 | -171.2 | 176.2 | -171 | 0 | 114.6 | S1335 | S1335-K1337 PolarHBondContact O-N 3.28Å; S1335-K1337 VanDerWaalsContact O-N 3.16Å |
| 1338 | K | 90.5 | Very high | 92.4 | Very high | 169 Ų | 169 | 57.4 Ų | 57.4 | 74% | 0.735 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -40.5 | 179.4 | -71.2 | -169.3 | 173.7 | -171.5 | 0 | 112.6 | S1335 V1336 I1615 | S1335-K1338 PolarHBondContact O-N 2.86Å; V1336-K1338 PolarHBondContact O-N 2.84Å; K1338-I1615 WeakPolarHBondContact O-CD1 3.39Å |
| 1339 | N | 93.9 | Very high | 92.4 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | trans | -150.5 | 115.4 | 168.1 | -175.4 | -2.6 | 0 | 0 | 0 | 107.7 | I1333 S1335 V1336 N1341 S1549 P1551 | I1333-N1339 VanDerWaalsContact CG2-O 3.31Å; I1333-N1339 WeakPolarHBondContact CG2-O 3.43Å; S1335-N1339 PolarHBondContact O-N 3.45Å; V1336-N1339 CarbonylContact O-C 3.52Å; N1339-N1341 PolarHBondContact O-N 2.71Å; N1339-N1341 VanDerWaalsContact OD1-CB 3.29Å; N1339-N1341 WeakPolarHBondContact OD1-CB 3.14Å; N1339-N1341 PolarHBondContact OD1-N 3.48Å; N1339-S1549 PolarHBondContact ND2-O 2.89Å; N1339-S1549 PolarHBondContact OD1-O 2.89Å; N1339-P1551 HydrophobicContact CB-CG 3.85Å | ||
| 1340 | P | 94.2 | Very high | 92.2 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.045 | 28% | 0.284 | C | S | . | . | trans | -85.1 | 7.4 | 177.9 | 37.7 | -39.2 | 0 | 0 | 0 | 113.3 | G1302 V1303 R1304 I1333 V1336 P1614 | G1302-P1340 WeakPolarHBondContact CA-O 3.45Å; V1303-P1340 PolarHBondContact N-O 2.75Å; V1303-P1340 WeakPolarHBondContact O-CB 3.32Å; R1304-P1340 PolarHBondContact NH1-O 2.8Å; I1333-P1340 VanDerWaalsContact CD1-O 3.31Å; I1333-P1340 WeakPolarHBondContact CD1-O 3.46Å; V1336-P1340 HydrophobicContact CG1-CB 3.94Å; P1340-P1614 HydrophobicContact CG-CG 3.94Å | ||
| 1341 | N | 94.8 | Very high | 92 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 153.9 | 176.8 | -61.4 | -21.1 | 0 | 0 | 0 | 112.7 | W1301 R1304 I1333 N1339 S1549 | W1301-N1341 CarbonylContact O-C 3.57Å; W1301-N1341 VanDerWaalsContact O-CA 3.22Å; W1301-N1341 WeakPolarHBondContact O-CA 3.26Å; W1301-N1341 WeakPolarHBondContact O-CB 3.35Å; R1304-N1341 PolarHBondContact NH1-OD1 3.4Å; R1304-N1341 PolarHBondContact NH2-OD1 3.12Å; I1333-N1341 WeakPolarHBondContact CG1-O 3.37Å; N1339-N1341 PolarHBondContact O-N 2.71Å; N1339-N1341 VanDerWaalsContact OD1-CB 3.29Å; N1339-N1341 WeakPolarHBondContact OD1-CB 3.14Å; N1339-N1341 PolarHBondContact OD1-N 3.48Å; N1341-S1549 WeakPolarHBondContact CB-O 3.42Å; N1341-S1549 PolarHBondContact ND2-O 3.35Å |
| 1342 | F | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -78.1 | 135.2 | 175.7 | -66.7 | -71.3 | 0 | 0 | 0 | 111.5 | C1300 W1301 V1303 V1319 S1330 T1331 I1333 S1344 P1345 | C1300-F1342 VanDerWaalsContact O-CD2 3.31Å; C1300-F1342 WeakPolarHBondContact O-CD2 3.48Å; C1300-F1342 WeakPolarHBondContact SG-CD2 3.07Å; C1300-F1342 VanDerWaalsContact SG-CE2 3.56Å; W1301-F1342 PolarHBondContact O-N 3.47Å; V1303-F1342 HydrophobicContact CG1-CE2 4.45Å; V1303-F1342 HydrophobicContact CG1-CZ 4.4Å; V1319-F1342 HydrophobicContact CG2-CE2 3.79Å; V1319-F1342 HydrophobicContact CG2-CZ 3.62Å; S1330-F1342 WeakPolarHBondContact OG-CD1 3.38Å; S1330-F1342 WeakPolarHBondContact OG-CE1 3.33Å; T1331-F1342 WeakPolarHBondContact O-CD1 3.46Å; T1331-F1342 WeakPolarHBondContact O-CE1 3.42Å; I1333-F1342 HydrophobicContact CB-CE1 4.39Å; I1333-F1342 HydrophobicContact CD1-CD1 3.81Å; I1333-F1342 HydrophobicContact CD1-CD2 4.21Å; I1333-F1342 HydrophobicContact CD1-CE1 3.43Å; I1333-F1342 VanDerWaalsContact CD1-CE1 3.43Å; I1333-F1342 HydrophobicContact CD1-CE2 3.86Å; I1333-F1342 HydrophobicContact CD1-CG 4.19Å; I1333-F1342 HydrophobicContact CD1-CZ 3.43Å; I1333-F1342 VanDerWaalsContact CD1-CZ 3.43Å; I1333-F1342 HydrophobicContact CG1-CD1 3.59Å; I1333-F1342 HydrophobicContact CG1-CE1 3.5Å; I1333-F1342 HydrophobicContact CG1-CG 4.24Å; I1333-F1342 HydrophobicContact CG1-CZ 4.08Å; F1342-S1344 PolarHBondContact O-N 3.3Å; F1342-P1345 HydrophobicContact CB-CB 4.4Å | ||
| 1343 | A | 88.2 | Confident | 91.6 | Very high | 78 Ų | 78 | 52 Ų | 52 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -71.9 | -16.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1344 | S | 89.8 | Confident | 91.3 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -137.6 | 82 | 171 | -59.5 | 0 | 0 | 0 | 0 | 107.6 | F1342 L1346 | F1342-S1344 PolarHBondContact O-N 3.3Å; S1344-L1346 VanDerWaalsContact C-N 3.28Å; S1344-L1346 PolarHBondContact O-N 2.9Å |
| 1345 | P | 91.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.078 | 25% | 0.254 | C | S | . | . | trans | -78.6 | -11.6 | -169.2 | 32.3 | -36.6 | 0 | 0 | 0 | 113.2 | L1299 C1300 W1301 F1342 L1545 | L1299-P1345 HydrophobicContact CD1-CB 4.2Å; L1299-P1345 HydrophobicContact CD1-CG 4.44Å; C1300-P1345 WeakPolarHBondContact CA-O 3.46Å; C1300-P1345 WeakPolarHBondContact CB-O 3.22Å; C1300-P1345 PolarHBondContact N-O 2.71Å; C1300-P1345 VanDerWaalsContact O-CA 3.23Å; C1300-P1345 WeakPolarHBondContact O-CA 3.44Å; C1300-P1345 WeakPolarHBondContact O-CB 3.3Å; W1301-P1345 HydrophobicContact CE3-CB 4.34Å; W1301-P1345 HydrophobicContact CE3-CG 4.39Å; F1342-P1345 HydrophobicContact CB-CB 4.4Å; P1345-L1545 HydrophobicContact CG-CD1 3.96Å | ||
| 1346 | L | 92.9 | Very high | 90.1 | Very high | 73 Ų | 73 | 51 Ų | 51 | 38% | 0.382 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 114.4 | -177.2 | -58.9 | -177.1 | 0 | 0 | 0 | 111.2 | L1299 S1344 F1542 L1545 | L1299-L1346 HydrophobicContact CD1-CD2 3.77Å; S1344-L1346 VanDerWaalsContact C-N 3.28Å; S1344-L1346 PolarHBondContact O-N 2.9Å; L1346-F1542 HydrophobicContact CD1-CB 4.42Å; L1346-F1542 WeakPolarHBondContact CD1-O 3.45Å; L1346-F1542 HydrophobicContact CD2-CB 3.51Å; L1346-F1542 HydrophobicContact CD2-CD2 4.39Å; L1346-F1542 HydrophobicContact CD2-CG 4.21Å; L1346-L1545 HydrophobicContact CD1-CD1 4.27Å; L1346-L1545 HydrophobicContact CD1-CG 4.28Å; L1346-L1545 HydrophobicContact CD2-CD1 3.81Å; L1346-L1545 HydrophobicContact CD2-CD2 4.29Å; L1346-L1545 HydrophobicContact CD2-CG 4.09Å; L1346-L1545 HydrophobicContact CG-CD1 4.04Å; L1346-L1545 HydrophobicContact CG-CG 4.47Å |
| 1347 | L | 94.3 | Very high | 89.2 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 159.9 | 172.9 | -47.2 | 170.7 | 0 | 0 | 0 | 109.8 | I1298 C1300 F1321 V1328 | I1298-L1347 HydrophobicContact CB-CB 4.12Å; I1298-L1347 HydrophobicContact CD1-CB 4.5Å; I1298-L1347 PolarHBondContact N-O 2.84Å; I1298-L1347 PolarHBondContact O-N 2.81Å; C1300-L1347 HydrophobicContact CB-CD1 4.03Å; C1300-L1347 HydrophobicContact CB-CG 4.46Å; F1321-L1347 HydrophobicContact CD2-CD1 3.89Å; F1321-L1347 HydrophobicContact CE2-CD1 3.77Å; V1328-L1347 HydrophobicContact CG1-CB 4.25Å; V1328-L1347 HydrophobicContact CG1-CD1 4.2Å; V1328-L1347 HydrophobicContact CG2-CB 4.09Å; V1328-L1347 HydrophobicContact CG2-CD1 4.25Å; V1328-L1347 HydrophobicContact CG2-CD2 4.28Å; V1328-L1347 HydrophobicContact CG2-CG 4.44Å |
| 1348 | F | 92.9 | Very high | 88.4 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 128.3 | 179.5 | -178.7 | -105.3 | 0 | 0 | 0 | 110.6 | I1296 E1297 D1350 L1529 R1540 | I1296-F1348 WeakPolarHBondContact O-CA 3.35Å; E1297-F1348 HydrophobicContact CG-CD2 3.74Å; E1297-F1348 HydrophobicContact CG-CE2 4.12Å; F1348-D1350 HydrophobicContact CE1-CB 4.03Å; F1348-L1529 HydrophobicContact CZ-CD1 4.12Å; F1348-R1540 VanDerWaalsContact CD1-NH2 3.3Å |
| 1349 | L | 92.4 | Very high | 87.8 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.9 | 169 | -68.7 | 169.3 | 0 | 0 | 0 | 109.4 | G1295 I1296 I1298 I1323 K1326 V1328 V1351 | G1295-L1349 WeakPolarHBondContact CA-O 3.22Å; I1296-L1349 HydrophobicContact CB-CB 4.21Å; I1296-L1349 HydrophobicContact CD1-CD1 4.31Å; I1296-L1349 PolarHBondContact N-O 3.41Å; I1296-L1349 PolarHBondContact O-N 3.09Å; I1298-L1349 HydrophobicContact CD1-CD1 4.11Å; I1298-L1349 HydrophobicContact CD1-CG 4.41Å; I1323-L1349 HydrophobicContact CG2-CD1 3.76Å; K1326-L1349 HydrophobicContact CB-CD2 4.15Å; V1328-L1349 HydrophobicContact CB-CD2 3.75Å; V1328-L1349 HydrophobicContact CB-CG 4.3Å; V1328-L1349 HydrophobicContact CG1-CD1 4.06Å; V1328-L1349 HydrophobicContact CG1-CD2 3.76Å; V1328-L1349 HydrophobicContact CG1-CG 3.76Å; L1349-V1351 HydrophobicContact CB-CG1 4.09Å |
| 1350 | D | 91.6 | Very high | 87.1 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 105.9 | 159.9 | -178.4 | -20.7 | 0 | 0 | 0 | 106.3 | R1293 K1326 F1348 L1529 | R1293-D1350 VanDerWaalsContact CG-OD1 3.23Å; R1293-D1350 WeakPolarHBondContact CG-OD1 3Å; R1293-D1350 IonicContact CZ-OD2 3.95Å; R1293-D1350 VanDerWaalsContact CZ-OD2 3.29Å; R1293-D1350 IonicContact NE-OD1 3.24Å; R1293-D1350 PolarHBondContact NE-OD1 3.46Å; R1293-D1350 IonicContact NE-OD2 3.85Å; R1293-D1350 PolarHBondContact NE-OD2 3.08Å; R1293-D1350 IonicContact NH2-OD2 3.55Å; R1293-D1350 PolarHBondContact NH2-OD2 3.04Å; K1326-D1350 VanDerWaalsContact CD-O 3.3Å; K1326-D1350 WeakPolarHBondContact CD-O 3.43Å; K1326-D1350 WeakPolarHBondContact CE-O 3.45Å; K1326-D1350 PolarHBondContact NZ-O 3.06Å; F1348-D1350 HydrophobicContact CE1-CB 4.03Å; D1350-L1529 HydrophobicContact CB-CD1 4.44Å |
| 1351 | V | 90.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 141.8 | -167.8 | 50.7 | 0 | 0 | 0 | 0 | 111 | T1294 I1296 K1326 L1349 L1353 | T1294-V1351 PolarHBondContact N-O 3.17Å; T1294-V1351 PolarHBondContact O-N 2.92Å; T1294-V1351 VanDerWaalsContact O-O 3.11Å; I1296-V1351 HydrophobicContact CD1-CG1 3.8Å; I1296-V1351 HydrophobicContact CG1-CG1 3.94Å; K1326-V1351 HydrophobicContact CD-CB 4.18Å; K1326-V1351 HydrophobicContact CD-CG2 4.45Å; L1349-V1351 HydrophobicContact CB-CG1 4.09Å; V1351-L1353 HydrophobicContact CG1-CD1 4.15Å; V1351-L1353 HydrophobicContact CG1-CD2 4.34Å; V1351-L1353 HydrophobicContact CG1-CG 3.99Å; V1351-L1353 HydrophobicContact CG2-CD2 3.69Å; V1351-L1353 HydrophobicContact CG2-CG 4.04Å; V1351-L1353 PolarHBondContact O-N 2.82Å |
| 1352 | L | 89.7 | Confident | 85.9 | Confident | 103 Ų | 103 | 42.4 Ų | 42.4 | 54% | 0.539 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 111.3 | 172.1 | -69.3 | 172.6 | 0 | 0 | 0 | 108.2 | L1291 Q1292 R1293 | L1291-L1352 HydrophobicContact CB-CB 4.25Å; L1291-L1352 HydrophobicContact CD1-CB 4.09Å; Q1292-L1352 WeakPolarHBondContact O-CA 3.24Å; R1293-L1352 HydrophobicContact CB-CD2 4.12Å |
| 1353 | L | 88.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.6 | 177.7 | -62.3 | -179.3 | 0 | 0 | 0 | 110.3 | L1291 Q1292 T1294 I1296 I1323 V1351 L1360 P1361 | L1291-L1353 CarbonylContact C-O 3.21Å; L1291-L1353 WeakPolarHBondContact CA-O 3.45Å; Q1292-L1353 PolarHBondContact N-O 3.24Å; Q1292-L1353 PolarHBondContact O-N 3.03Å; T1294-L1353 HydrophobicContact CG2-CD1 3.96Å; I1296-L1353 HydrophobicContact CD1-CD1 4.17Å; I1296-L1353 HydrophobicContact CG1-CD1 4.49Å; I1323-L1353 HydrophobicContact CD1-CD1 4.08Å; I1323-L1353 HydrophobicContact CD1-CD2 3.94Å; I1323-L1353 HydrophobicContact CG1-CD2 3.97Å; V1351-L1353 HydrophobicContact CG1-CD1 4.15Å; V1351-L1353 HydrophobicContact CG1-CD2 4.34Å; V1351-L1353 HydrophobicContact CG1-CG 3.99Å; V1351-L1353 HydrophobicContact CG2-CD2 3.69Å; V1351-L1353 HydrophobicContact CG2-CG 4.04Å; V1351-L1353 PolarHBondContact O-N 2.82Å; L1353-L1360 HydrophobicContact CB-CD2 3.91Å; L1353-L1360 HydrophobicContact CD1-CD2 4.16Å; L1353-P1361 HydrophobicContact CD2-CG 4.1Å |
| 1354 | P | 87.1 | Confident | 85.5 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 139.9 | 172.8 | -31.4 | 39.5 | 0 | 0 | 0 | 114.3 | P1289 V1290 L1291 | P1289-P1354 HydrophobicContact CB-CB 3.71Å; P1289-P1354 HydrophobicContact CB-CG 3.68Å; P1289-P1354 HydrophobicContact CG-CG 4.33Å; V1290-P1354 CarbonylContact O-C 3.46Å; V1290-P1354 WeakPolarHBondContact O-CA 3.18Å; L1291-P1354 HydrophobicContact CD2-CG 3.9Å |
| 1355 | K | 80.6 | Confident | 85.6 | Confident | 102 Ų | 102 | 36.2 Ų | 36.2 | 44% | 0.443 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -65.9 | -43.2 | 170.4 | -72.5 | -173.7 | 178.1 | 179.1 | 0 | 111.2 | V1290 Q1292 | V1290-K1355 HydrophobicContact CG1-CD 3.99Å; V1290-K1355 WeakPolarHBondContact O-CG 3.42Å; V1290-K1355 PolarHBondContact O-N 3.44Å; Q1292-K1355 HydrophobicContact CB-CD 4.28Å; Q1292-K1355 HydrophobicContact CB-CG 3.58Å |
| 1356 | E | 75.6 | Confident | 85.5 | Confident | 88 Ų | 88 | 36.6 Ų | 36.6 | 41% | 0.411 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -78.2 | 127 | 176.9 | -60.9 | 111.9 | 163.5 | 0 | 0 | 111.6 | I1358 Y1359 | E1356-I1358 VanDerWaalsContact C-N 3.26Å; E1356-I1358 HydrophobicContact CB-CG1 4.09Å; E1356-I1358 PolarHBondContact O-N 2.76Å; E1356-Y1359 HydrophobicContact CB-CD2 3.82Å; E1356-Y1359 HydrophobicContact CB-CE2 4.22Å; E1356-Y1359 PolarHBondContact O-N 3.43Å; E1356-Y1359 WeakPolarHBondContact OE2-CD2 3.35Å |
| 1357 | E | 70.8 | Confident | 85.6 | Confident | 83 Ų | 83 | 33.1 Ų | 33.1 | 39% | 0.388 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -57.3 | -37.8 | -178.7 | 178.1 | 137.9 | -121.4 | 0 | 0 | 113.4 | Y1359 L1360 K1391 | E1357-Y1359 PolarHBondContact O-N 3.02Å; E1357-L1360 HydrophobicContact CG-CD1 4.42Å; E1357-L1360 PolarHBondContact O-N 3.02Å; E1357-L1360 VanDerWaalsContact O-N 3.16Å; E1357-K1391 WeakPolarHBondContact OE1-CE 3.34Å; E1357-K1391 IonicContact OE1-NZ 2.66Å; E1357-K1391 PolarHBondContact OE1-NZ 2.84Å; E1357-K1391 IonicContact OE2-NZ 2.66Å; E1357-K1391 PolarHBondContact OE2-NZ 2.72Å; E1357-K1391 VanDerWaalsContact OE2-NZ 3.16Å |
| 1358 | I | 72.1 | Confident | 85.5 | Confident | 92 Ų | 92 | 35.2 Ų | 35.2 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -60.1 | -13 | 178.5 | 60.1 | 166.6 | 0 | 0 | 0 | 113.3 | W1243 E1356 | W1243-I1358 PolarHBondContact NE1-O 3.34Å; E1356-I1358 VanDerWaalsContact C-N 3.26Å; E1356-I1358 HydrophobicContact CB-CG1 4.09Å; E1356-I1358 PolarHBondContact O-N 2.76Å |
| 1359 | Y | 78.1 | Confident | 85.5 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -109.6 | -4.5 | -179 | -60.3 | -37 | 0 | 0 | 0 | 114.9 | Q1140 V1240 L1241 L1257 P1289 E1356 E1357 | Q1140-Y1359 PolarHBondContact NE2-O 3.28Å; V1240-Y1359 WeakPolarHBondContact CG1-OH 3.32Å; L1241-Y1359 HydrophobicContact CB-CD1 4.46Å; L1241-Y1359 HydrophobicContact CB-CE1 3.71Å; L1241-Y1359 PolarHBondContact N-OH 3.17Å; L1241-Y1359 VanDerWaalsContact O-CE1 3.25Å; L1241-Y1359 WeakPolarHBondContact O-CE1 3.45Å; L1241-Y1359 PolarHBondContact O-OH 3.29Å; L1257-Y1359 HydrophobicContact CD1-CD1 3.96Å; L1257-Y1359 HydrophobicContact CD1-CE1 3.92Å; L1257-Y1359 HydrophobicContact CD2-CD1 3.67Å; L1257-Y1359 HydrophobicContact CD2-CE1 4.36Å; L1257-Y1359 HydrophobicContact CG-CD1 4.44Å; P1289-Y1359 HydrophobicContact CB-CD2 3.58Å; P1289-Y1359 HydrophobicContact CB-CG 3.82Å; P1289-Y1359 HydrophobicContact CG-CD1 4.3Å; P1289-Y1359 HydrophobicContact CG-CD2 3.73Å; P1289-Y1359 HydrophobicContact CG-CG 3.58Å; E1356-Y1359 HydrophobicContact CB-CD2 3.82Å; E1356-Y1359 HydrophobicContact CB-CE2 4.22Å; E1356-Y1359 PolarHBondContact O-N 3.43Å; E1356-Y1359 WeakPolarHBondContact OE2-CD2 3.35Å; E1357-Y1359 PolarHBondContact O-N 3.02Å |
| 1360 | L | 79.8 | Confident | 85.5 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 123.9 | -179.2 | -74.1 | 171.3 | 0 | 0 | 0 | 110.9 | L1353 E1357 F1387 | L1353-L1360 HydrophobicContact CB-CD2 3.91Å; L1353-L1360 HydrophobicContact CD1-CD2 4.16Å; E1357-L1360 HydrophobicContact CG-CD1 4.42Å; E1357-L1360 PolarHBondContact O-N 3.02Å; E1357-L1360 VanDerWaalsContact O-N 3.16Å; L1360-F1387 HydrophobicContact CB-CD2 3.91Å; L1360-F1387 HydrophobicContact CB-CE2 4.03Å; L1360-F1387 HydrophobicContact CD1-CB 4.1Å; L1360-F1387 HydrophobicContact CD1-CD2 3.89Å; L1360-F1387 HydrophobicContact CD1-CG 4.26Å |
| 1361 | P | 79.7 | Confident | 85.3 | Confident | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 145.7 | 171.5 | 29.6 | -33.8 | 0 | 0 | 0 | 108.8 | I1178 I1323 L1353 F1387 | I1178-P1361 HydrophobicContact CD1-CB 4.45Å; I1323-P1361 HydrophobicContact CG1-CG 4.01Å; L1353-P1361 HydrophobicContact CD2-CG 4.1Å; P1361-F1387 WeakPolarHBondContact O-CE2 3.4Å; P1361-F1387 VanDerWaalsContact O-CZ 3.26Å; P1361-F1387 WeakPolarHBondContact O-CZ 3.43Å |
| 1362 | P | 83.7 | Confident | 85 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 159.4 | 175.1 | 31.4 | -37.6 | 0 | 0 | 0 | 111.4 | R1142 C1176 V1383 L1384 T1385 | R1142-P1362 HydrophobicContact CB-CG 3.91Å; C1176-P1362 HydrophobicContact CB-CG 3.51Å; C1176-P1362 WeakPolarHBondContact SG-CG 3.26Å; P1362-V1383 HydrophobicContact CB-CG1 3.84Å; P1362-V1383 HydrophobicContact CG-CG1 4.41Å; P1362-L1384 CarbonylContact C-O 3.5Å; P1362-L1384 VanDerWaalsContact CA-O 3.23Å; P1362-L1384 WeakPolarHBondContact CA-O 3.46Å; P1362-L1384 WeakPolarHBondContact CB-O 3.41Å; P1362-T1385 HydrophobicContact CB-CG2 4.11Å |
| 1363 | M | 88.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.8 | 174.9 | -179.6 | 165.7 | 51.1 | 0 | 0 | 110.3 | F1321 E1322 I1323 I1365 L1384 F1387 F1524 | F1321-M1363 HydrophobicContact CD1-SD 4.43Å; E1322-M1363 CarbonylContact O-C 3.59Å; E1322-M1363 VanDerWaalsContact O-CA 3.31Å; E1322-M1363 WeakPolarHBondContact O-CA 3.28Å; I1323-M1363 HydrophobicContact CB-CB 4.11Å; I1323-M1363 HydrophobicContact CB-CG 4.17Å; I1323-M1363 HydrophobicContact CD1-CB 4.24Å; I1323-M1363 HydrophobicContact CG1-CB 4.41Å; I1323-M1363 HydrophobicContact CG2-SD 4.45Å; M1363-I1365 HydrophobicContact CG-CG1 4.48Å; M1363-L1384 HydrophobicContact CB-CB 4.39Å; M1363-L1384 HydrophobicContact CE-CD2 3.76Å; M1363-L1384 PolarHBondContact N-O 2.87Å; M1363-L1384 PolarHBondContact O-N 2.94Å; M1363-F1387 HydrophobicContact CB-CE1 3.96Å; M1363-F1387 HydrophobicContact CB-CZ 4.01Å; M1363-F1387 HydrophobicContact CE-CE1 4.25Å; M1363-F1524 HydrophobicContact CE-CD1 3.61Å; M1363-F1524 HydrophobicContact CE-CD2 3.76Å; M1363-F1524 HydrophobicContact CE-CE1 3.34Å; M1363-F1524 HydrophobicContact CE-CE2 3.51Å; M1363-F1524 HydrophobicContact CE-CG 3.81Å; M1363-F1524 HydrophobicContact CE-CZ 3.31Å; M1363-F1524 HydrophobicContact SD-CD1 4.34Å; M1363-F1524 HydrophobicContact SD-CE1 3.94Å; M1363-F1524 HydrophobicContact SD-CZ 4.31Å |
| 1364 | N | 85.6 | Confident | 84.3 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130.9 | 172.9 | -58.5 | -35.7 | 0 | 0 | 0 | 109.1 | F1321 E1322 | F1321-N1364 WeakPolarHBondContact CA-O 3.27Å; E1322-N1364 HydrophobicContact CB-CB 4.25Å; E1322-N1364 PolarHBondContact N-O 3.49Å; E1322-N1364 PolarHBondContact O-N 3.04Å; E1322-N1364 PolarHBondContact OE2-ND2 3.14Å |
| 1365 | I | 91.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 97.9 | 175.9 | -52.4 | 176.1 | 0 | 0 | 0 | 106.8 | V1319 F1321 M1363 V1381 H1382 F1501 F1520 F1524 | V1319-I1365 HydrophobicContact CG1-CG2 3.58Å; F1321-I1365 HydrophobicContact CD1-CG1 4.08Å; F1321-I1365 HydrophobicContact CD1-CG2 4.24Å; F1321-I1365 HydrophobicContact CE1-CG1 4.25Å; F1321-I1365 HydrophobicContact CE1-CG2 3.87Å; M1363-I1365 HydrophobicContact CG-CG1 4.48Å; I1365-V1381 CarbonylContact O-C 3.55Å; I1365-V1381 WeakPolarHBondContact O-CA 3.31Å; I1365-H1382 HydrophobicContact CB-CB 4.3Å; I1365-H1382 PolarHBondContact N-O 2.87Å; I1365-H1382 PolarHBondContact O-N 2.77Å; I1365-F1501 HydrophobicContact CD1-CG 4.41Å; I1365-F1520 HydrophobicContact CD1-CD1 4.18Å; I1365-F1520 HydrophobicContact CD1-CE1 4.25Å; I1365-F1520 HydrophobicContact CG2-CD1 3.7Å; I1365-F1520 HydrophobicContact CG2-CE1 4.11Å; I1365-F1520 HydrophobicContact CG2-CG 4.06Å; I1365-F1524 HydrophobicContact CD1-CE2 4.27Å; I1365-F1524 HydrophobicContact CD1-CZ 3.8Å |
| 1366 | C | 89.4 | Confident | 84.4 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.6 | -172.6 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | V1319 E1320 | V1319-C1366 CarbonylContact C-O 3.09Å; V1319-C1366 WeakPolarHBondContact CA-O 3.42Å; E1320-C1366 HydrophobicContact CB-CB 4.41Å; E1320-C1366 PolarHBondContact N-O 2.98Å; E1320-C1366 PolarHBondContact O-N 3.39Å |
| 1367 | V | 93.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.4 | 175.9 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | V1303 M1306 P1317 S1318 V1319 M1378 V1379 G1380 L1503 | V1303-V1367 HydrophobicContact CG1-CG1 4.3Å; M1306-V1367 HydrophobicContact CE-CB 4.49Å; M1306-V1367 HydrophobicContact CE-CG1 4.03Å; P1317-V1367 HydrophobicContact CB-CG1 3.81Å; S1318-V1367 WeakPolarHBondContact O-CA 3.44Å; V1319-V1367 HydrophobicContact CG2-CG2 4.19Å; V1367-M1378 WeakPolarHBondContact O-CA 3.26Å; V1367-V1379 HydrophobicContact CB-CG2 4.16Å; V1367-V1379 HydrophobicContact CG1-CG2 3.87Å; V1367-V1379 WeakPolarHBondContact O-CG2 3.23Å; V1367-V1379 PolarHBondContact O-N 2.65Å; V1367-G1380 PolarHBondContact N-O 2.89Å; V1367-L1503 HydrophobicContact CB-CD1 4.34Å; V1367-L1503 HydrophobicContact CG2-CD1 3.52Å; V1367-L1503 HydrophobicContact CG2-CD2 3.88Å; V1367-L1503 HydrophobicContact CG2-CG 4.37Å |
| 1368 | R | 92.1 | Very high | 85.6 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 28% | 0.275 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.7 | 174.5 | -61.4 | -163.3 | -166.6 | -112.6 | 0.5 | 111.7 | P1317 S1318 E1320 K1376 P1377 M1378 | P1317-R1368 CarbonylContact C-O 3.42Å; P1317-R1368 WeakPolarHBondContact CA-O 3.49Å; S1318-R1368 PolarHBondContact N-O 3.3Å; S1318-R1368 PolarHBondContact O-N 2.93Å; E1320-R1368 WeakPolarHBondContact OE1-CD 3.38Å; E1320-R1368 IonicContact OE1-CZ 3.04Å; E1320-R1368 IonicContact OE1-NE 2.72Å; E1320-R1368 PolarHBondContact OE1-NE 2.94Å; E1320-R1368 IonicContact OE1-NH2 2.6Å; E1320-R1368 IonicContact OE2-CZ 2.66Å; E1320-R1368 IonicContact OE2-NE 3.1Å; E1320-R1368 PolarHBondContact OE2-NE 3.31Å; E1320-R1368 IonicContact OE2-NH2 2.66Å; E1320-R1368 PolarHBondContact OE2-NH2 3.36Å; R1368-K1376 WeakPolarHBondContact CD-O 3.44Å; R1368-P1377 VanDerWaalsContact CA-O 3.26Å; R1368-P1377 WeakPolarHBondContact CA-O 3.22Å; R1368-M1378 HydrophobicContact CG-CB 4.44Å |
| 1369 | D | 93.1 | Very high | 86.4 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118 | 178.8 | -177.3 | 44.9 | 0 | 0 | 0 | 110.5 | V1314 N1315 S1316 R1371 P1377 V1379 | V1314-D1369 HydrophobicContact CG1-CB 4.06Å; V1314-D1369 HydrophobicContact CG2-CB 4.46Å; N1315-D1369 PolarHBondContact N-OD1 3.14Å; S1316-D1369 PolarHBondContact N-OD1 3.24Å; D1369-R1371 PolarHBondContact O-N 2.87Å; D1369-R1371 IonicContact OD2-CZ 2.68Å; D1369-R1371 IonicContact OD2-NE 2.94Å; D1369-R1371 PolarHBondContact OD2-NE 3.07Å; D1369-R1371 IonicContact OD2-NH2 2.79Å; D1369-R1371 PolarHBondContact OD2-NH2 3.28Å; D1369-R1371 VanDerWaalsContact OD2-NH2 3.09Å; D1369-P1377 PolarHBondContact N-O 3.04Å; D1369-P1377 VanDerWaalsContact O-CD 3.3Å; D1369-P1377 WeakPolarHBondContact O-CD 3.24Å; D1369-V1379 HydrophobicContact CB-CG1 3.63Å; D1369-V1379 HydrophobicContact CB-CG2 4.3Å |
| 1370 | H | 92.6 | Very high | 86.9 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 26% | 0.255 | 22% | 0.224 | S | C | . | . | trans | -83 | 110.1 | -178 | -68.4 | -108.8 | 0 | 0 | 0 | 110.6 | S1316 S1318 I1332 | S1316-H1370 WeakPolarHBondContact O-CB 3.47Å; S1316-H1370 PolarHBondContact O-CD2 2.83Å; S1316-H1370 PolarHBondContact O-N 2.83Å; S1318-H1370 PolarHBondContact OG-NE2 3.48Å; I1332-H1370 WeakPolarHBondContact CD1-ND1 3.29Å; I1332-H1370 HydrophobicContact CG2-CB 4.4Å | ||
| 1371 | R | 88.3 | Confident | 87.3 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 23% | 0.23 | 22% | 0.223 | C | C | . | . | trans | -108.5 | 171.8 | -174.5 | -62.9 | -180 | 177.5 | -168.7 | -4.4 | 112 | Y1309 D1369 Q1375 | Y1309-R1371 PolarHBondContact O-NH1 2.86Å; Y1309-R1371 PolarHBondContact O-NH2 3.12Å; Y1309-R1371 VanDerWaalsContact O-NH2 3.13Å; D1369-R1371 PolarHBondContact O-N 2.87Å; D1369-R1371 IonicContact OD2-CZ 2.68Å; D1369-R1371 IonicContact OD2-NE 2.94Å; D1369-R1371 PolarHBondContact OD2-NE 3.07Å; D1369-R1371 IonicContact OD2-NH2 2.79Å; D1369-R1371 PolarHBondContact OD2-NH2 3.28Å; D1369-R1371 VanDerWaalsContact OD2-NH2 3.09Å; R1371-Q1375 HydrophobicContact CB-CB 4.22Å; R1371-Q1375 PolarHBondContact N-O 3.39Å | ||
| 1372 | A | 83.8 | Confident | 87.7 | Confident | 72 Ų | 72 | 43.2 Ų | 43.2 | 60% | 0.595 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -55.9 | 155.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | G1374 | A1372-G1374 PolarHBondContact O-N 3.47Š|
| 1373 | F | 85 | Confident | 87.6 | Confident | 211 Ų | 211 | 44.3 Ų | 44.3 | 93% | 0.925 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | 59.5 | 21.5 | -177.9 | -47.2 | -77.5 | 0 | 0 | 0 | 115.1 | Q1375 | F1373-Q1375 PolarHBondContact O-N 2.97Š|
| 1374 | G | 80.1 | Confident | 87.5 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 73% | 0.732 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | 79.9 | 11.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1372 K1376 | A1372-G1374 PolarHBondContact O-N 3.47Å; G1374-K1376 PolarHBondContact O-N 3Å |
| 1375 | Q | 81.5 | Confident | 87.1 | Confident | 123 Ų | 123 | 46.9 Ų | 46.9 | 58% | 0.575 | 25% | 0.252 | S | S | * | . | trans | -71.5 | 124.9 | 175.4 | -66.3 | -173 | -0.2 | 0 | 0 | 110.9 | R1371 F1373 P1377 | R1371-Q1375 HydrophobicContact CB-CB 4.22Å; R1371-Q1375 PolarHBondContact N-O 3.39Å; F1373-Q1375 PolarHBondContact O-N 2.97Å; Q1375-P1377 VanDerWaalsContact C-CD 3.43Å; Q1375-P1377 WeakPolarHBondContact O-CD 3.41Å | ||
| 1376 | K | 86.4 | Confident | 86.6 | Confident | 84 Ų | 84 | 51 Ų | 51 | 37% | 0.365 | 27% | 0.274 | S | S | . | . | trans | -119.4 | 63.9 | 172.1 | 65 | 165.7 | -164.2 | 158.6 | 0 | 113.4 | E1320 E1329 R1368 G1374 | E1320-K1376 IonicContact OE1-NZ 3.69Å; E1320-K1376 PolarHBondContact OE1-NZ 3.32Å; E1329-K1376 IonicContact OE1-NZ 3.35Å; R1368-K1376 WeakPolarHBondContact CD-O 3.44Å; G1374-K1376 PolarHBondContact O-N 3Å | ||
| 1377 | P | 87.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | trans | -57.6 | 139.2 | 175.6 | 24.9 | -36 | 0 | 0 | 0 | 112 | Y1309 R1368 D1369 Q1375 V1379 | Y1309-P1377 HydrophobicContact CD1-CB 4.22Å; Y1309-P1377 HydrophobicContact CE1-CB 3.68Å; Y1309-P1377 HydrophobicContact CE1-CG 4.4Å; R1368-P1377 VanDerWaalsContact CA-O 3.26Å; R1368-P1377 WeakPolarHBondContact CA-O 3.22Å; D1369-P1377 PolarHBondContact N-O 3.04Å; D1369-P1377 VanDerWaalsContact O-CD 3.3Å; D1369-P1377 WeakPolarHBondContact O-CD 3.24Å; Q1375-P1377 VanDerWaalsContact C-CD 3.43Å; Q1375-P1377 WeakPolarHBondContact O-CD 3.41Å; P1377-V1379 HydrophobicContact CG-CG1 4.48Å | ||
| 1378 | M | 85.9 | Confident | 85.8 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.2 | 162.6 | -175.6 | -88.8 | -80.9 | 0 | 0 | 108.2 | S1150 L1152 Y1309 V1367 R1368 V1381 | S1150-M1378 WeakPolarHBondContact O-CE 3.49Å; L1152-M1378 HydrophobicContact CD1-CE 4.46Å; L1152-M1378 HydrophobicContact CD2-CE 4.41Å; L1152-M1378 HydrophobicContact CG-CE 4.22Å; Y1309-M1378 WeakPolarHBondContact CE2-O 3.44Å; V1367-M1378 WeakPolarHBondContact O-CA 3.26Å; R1368-M1378 HydrophobicContact CG-CB 4.44Å; M1378-V1381 HydrophobicContact CE-CB 4.48Å; M1378-V1381 HydrophobicContact CE-CG1 4.44Å; M1378-V1381 HydrophobicContact SD-CB 4.27Å |
| 1379 | V | 88.7 | Confident | 85.3 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -14.5 | -172.2 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | M1306 Y1309 V1314 V1367 D1369 P1377 A1517 | M1306-V1379 HydrophobicContact CE-CG2 3.71Å; Y1309-V1379 HydrophobicContact CD1-CG1 3.93Å; Y1309-V1379 HydrophobicContact CD2-CB 4.35Å; Y1309-V1379 HydrophobicContact CD2-CG1 4.26Å; Y1309-V1379 HydrophobicContact CG-CB 4.2Å; Y1309-V1379 HydrophobicContact CG-CG1 3.72Å; V1314-V1379 HydrophobicContact CG1-CG2 4.38Å; V1314-V1379 HydrophobicContact CG2-CB 3.99Å; V1314-V1379 HydrophobicContact CG2-CG1 4.07Å; V1314-V1379 HydrophobicContact CG2-CG2 3.9Å; V1367-V1379 HydrophobicContact CB-CG2 4.16Å; V1367-V1379 HydrophobicContact CG1-CG2 3.87Å; V1367-V1379 WeakPolarHBondContact O-CG2 3.23Å; V1367-V1379 PolarHBondContact O-N 2.65Å; D1369-V1379 HydrophobicContact CB-CG1 3.63Å; D1369-V1379 HydrophobicContact CB-CG2 4.3Å; P1377-V1379 HydrophobicContact CG-CG1 4.48Å; V1379-A1517 WeakPolarHBondContact O-CB 3.27Å |
| 1380 | G | 88.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | 153.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1367 S1504 | V1367-G1380 PolarHBondContact N-O 2.89Å; G1380-S1504 VanDerWaalsContact CA-O 3.27Å; G1380-S1504 WeakPolarHBondContact CA-O 3.27Å |
| 1381 | V | 86.7 | Confident | 84.9 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.4 | -178.4 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | I1365 M1378 L1503 S1504 | I1365-V1381 CarbonylContact O-C 3.55Å; I1365-V1381 WeakPolarHBondContact O-CA 3.31Å; M1378-V1381 HydrophobicContact CE-CB 4.48Å; M1378-V1381 HydrophobicContact CE-CG1 4.44Å; M1378-V1381 HydrophobicContact SD-CB 4.27Å; V1381-L1503 WeakPolarHBondContact O-CA 3.42Å; V1381-S1504 PolarHBondContact N-O 2.92Å; V1381-S1504 PolarHBondContact O-N 2.96Å; V1381-S1504 PolarHBondContact O-OG 2.72Å |
| 1382 | H | 87.9 | Confident | 84.7 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 21% | 0.213 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.1 | 165.8 | -175.5 | 92.3 | 0 | 0 | 0 | 109.3 | I1365 F1501 T1502 L1503 | I1365-H1382 HydrophobicContact CB-CB 4.3Å; I1365-H1382 PolarHBondContact N-O 2.87Å; I1365-H1382 PolarHBondContact O-N 2.77Å; H1382-F1501 AromaticContact CD2-CD1 3.89Å; H1382-F1501 AromaticContact NE2-CD1 3.58Å; H1382-T1502 PolarHBondContact ND1-O 2.84Å; H1382-L1503 HydrophobicContact CB-CD2 4.07Å |
| 1383 | V | 82 | Confident | 84.6 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 107.5 | 180 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | C1176 P1362 T1385 | C1176-V1383 VanDerWaalsContact SG-CG1 3.57Å; P1362-V1383 HydrophobicContact CB-CG1 3.84Å; P1362-V1383 HydrophobicContact CG-CG1 4.41Å; V1383-T1385 HydrophobicContact CG1-CG2 4.22Å |
| 1384 | L | 86.3 | Confident | 84.5 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 114.6 | 178.1 | -177 | 67.4 | 0 | 0 | 0 | 109.9 | P1362 M1363 D1386 F1387 F1390 F1501 F1524 | P1362-L1384 CarbonylContact C-O 3.5Å; P1362-L1384 VanDerWaalsContact CA-O 3.23Å; P1362-L1384 WeakPolarHBondContact CA-O 3.46Å; P1362-L1384 WeakPolarHBondContact CB-O 3.41Å; M1363-L1384 HydrophobicContact CB-CB 4.39Å; M1363-L1384 HydrophobicContact CE-CD2 3.76Å; M1363-L1384 PolarHBondContact N-O 2.87Å; M1363-L1384 PolarHBondContact O-N 2.94Å; L1384-D1386 WeakPolarHBondContact CD1-O 3.11Å; L1384-D1386 WeakPolarHBondContact CG-O 3.38Å; L1384-F1387 HydrophobicContact CD2-CD1 4.15Å; L1384-F1387 HydrophobicContact CD2-CE1 4.06Å; L1384-F1387 HydrophobicContact CG-CE1 4.4Å; L1384-F1390 HydrophobicContact CD1-CE2 4.1Å; L1384-F1390 HydrophobicContact CD2-CD2 3.97Å; L1384-F1390 HydrophobicContact CD2-CE2 3.67Å; L1384-F1390 HydrophobicContact CD2-CZ 4.49Å; L1384-F1390 HydrophobicContact CG-CE2 4.47Å; L1384-F1501 HydrophobicContact CD1-CE1 4.13Å; L1384-F1524 HydrophobicContact CD2-CD2 4.04Å; L1384-F1524 HydrophobicContact CD2-CE2 3.92Å |
| 1385 | T | 77.2 | Confident | 84.5 | Confident | 53 Ų | 53 | 49.5 Ų | 49.5 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -103.1 | -21.5 | 179.9 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | S1143 P1362 V1383 | S1143-T1385 WeakPolarHBondContact OG-CG2 3.44Å; P1362-T1385 HydrophobicContact CB-CG2 4.11Å; V1383-T1385 HydrophobicContact CG1-CG2 4.22Å | ||
| 1386 | D | 81.4 | Confident | 84 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | trans | -106.7 | 127.3 | 177.8 | 179.9 | 12.5 | 0 | 0 | 0 | 109.9 | L1384 Q1388 | L1384-D1386 WeakPolarHBondContact CD1-O 3.11Å; L1384-D1386 WeakPolarHBondContact CG-O 3.38Å; D1386-Q1388 WeakPolarHBondContact OD1-CB 3.43Å; D1386-Q1388 PolarHBondContact OD1-N 3.44Å | ||
| 1387 | F | 84.9 | Confident | 83.2 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | trans | -113.1 | -3.8 | -177.6 | -63.6 | -77.8 | 0 | 0 | 0 | 113.2 | I1323 L1360 P1361 M1363 L1384 A1389 F1390 K1391 I1526 | I1323-F1387 HydrophobicContact CD1-CE1 3.92Å; I1323-F1387 HydrophobicContact CD1-CZ 3.72Å; L1360-F1387 HydrophobicContact CB-CD2 3.91Å; L1360-F1387 HydrophobicContact CB-CE2 4.03Å; L1360-F1387 HydrophobicContact CD1-CB 4.1Å; L1360-F1387 HydrophobicContact CD1-CD2 3.89Å; L1360-F1387 HydrophobicContact CD1-CG 4.26Å; P1361-F1387 WeakPolarHBondContact O-CE2 3.4Å; P1361-F1387 VanDerWaalsContact O-CZ 3.26Å; P1361-F1387 WeakPolarHBondContact O-CZ 3.43Å; M1363-F1387 HydrophobicContact CB-CE1 3.96Å; M1363-F1387 HydrophobicContact CB-CZ 4.01Å; M1363-F1387 HydrophobicContact CE-CE1 4.25Å; L1384-F1387 HydrophobicContact CD2-CD1 4.15Å; L1384-F1387 HydrophobicContact CD2-CE1 4.06Å; L1384-F1387 HydrophobicContact CG-CE1 4.4Å; F1387-A1389 VanDerWaalsContact C-N 3.29Å; F1387-A1389 PolarHBondContact O-N 2.94Å; F1387-F1390 PolarHBondContact O-N 2.92Å; F1387-K1391 PolarHBondContact O-N 2.77Å; F1387-I1526 HydrophobicContact CB-CD1 4.16Å; F1387-I1526 HydrophobicContact CD1-CD1 3.5Å; F1387-I1526 HydrophobicContact CE1-CD1 4.28Å; F1387-I1526 HydrophobicContact CG-CD1 4.19Å | ||
| 1388 | Q | 81.7 | Confident | 82.1 | Confident | 137 Ų | 137 | 52.9 Ų | 52.9 | 64% | 0.64 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -59.5 | -40.7 | -169.4 | -168.1 | 176.8 | 2 | 0 | 0 | 111.7 | D1386 F1390 | D1386-Q1388 WeakPolarHBondContact OD1-CB 3.43Å; D1386-Q1388 PolarHBondContact OD1-N 3.44Å; Q1388-F1390 PolarHBondContact O-N 2.92Å |
| 1389 | A | 82.3 | Confident | 80.8 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 69% | 0.694 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -67.9 | -12.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1387 | F1387-A1389 VanDerWaalsContact C-N 3.29Å; F1387-A1389 PolarHBondContact O-N 2.94Å |
| 1390 | F | 89.3 | Confident | 79.2 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 6% | 0.057 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -111.8 | -9.4 | -175 | -54.7 | -67.3 | 0 | 0 | 0 | 114 | L1384 F1387 Q1388 N1499 F1501 F1524 R1525 I1526 | L1384-F1390 HydrophobicContact CD1-CE2 4.1Å; L1384-F1390 HydrophobicContact CD2-CD2 3.97Å; L1384-F1390 HydrophobicContact CD2-CE2 3.67Å; L1384-F1390 HydrophobicContact CD2-CZ 4.49Å; L1384-F1390 HydrophobicContact CG-CE2 4.47Å; F1387-F1390 PolarHBondContact O-N 2.92Å; Q1388-F1390 PolarHBondContact O-N 2.92Å; F1390-N1499 WeakPolarHBondContact CE1-OD1 3.41Å; F1390-F1501 HydrophobicContact CE1-CZ 4.38Å; F1390-F1501 HydrophobicContact CZ-CE1 4.22Å; F1390-F1501 AromaticContact CZ-CZ 3.85Å; F1390-F1501 HydrophobicContact CZ-CZ 3.85Å; F1390-F1524 HydrophobicContact CB-CB 3.99Å; F1390-F1524 HydrophobicContact CD1-CB 3.95Å; F1390-F1524 HydrophobicContact CD1-CD2 4.01Å; F1390-F1524 HydrophobicContact CD1-CG 4.49Å; F1390-F1524 HydrophobicContact CD2-CD2 4.34Å; F1390-F1524 HydrophobicContact CE1-CD2 4.02Å; F1390-F1524 HydrophobicContact CE2-CD2 4.37Å; F1390-F1524 HydrophobicContact CG-CB 3.99Å; F1390-F1524 HydrophobicContact CG-CD2 4.17Å; F1390-F1524 HydrophobicContact CZ-CD2 4.21Å; F1390-R1525 WeakPolarHBondContact O-CA 3.35Å; F1390-I1526 HydrophobicContact CB-CD1 4.07Å; F1390-I1526 HydrophobicContact CB-CG1 4.24Å; F1390-I1526 PolarHBondContact O-N 2.6Å |
| 1391 | K | 86.3 | Confident | 77.4 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 132 | 176.7 | -76.2 | 177.1 | 176.1 | 173.2 | 0 | 111.2 | E1357 F1387 I1526 | E1357-K1391 WeakPolarHBondContact OE1-CE 3.34Å; E1357-K1391 IonicContact OE1-NZ 2.66Å; E1357-K1391 PolarHBondContact OE1-NZ 2.84Å; E1357-K1391 IonicContact OE2-NZ 2.66Å; E1357-K1391 PolarHBondContact OE2-NZ 2.72Å; E1357-K1391 VanDerWaalsContact OE2-NZ 3.16Å; F1387-K1391 PolarHBondContact O-N 2.77Å; K1391-I1526 WeakPolarHBondContact CA-O 3.07Å; K1391-I1526 HydrophobicContact CG-CB 4.34Å; K1391-I1526 HydrophobicContact CG-CG2 4.47Å |
| 1392 | V | 85.3 | Confident | 75.6 | Confident | 38 Ų | 38 | 67.6 Ų | 67.6 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | trans | -139 | 157.4 | 179 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | R1525 I1526 Y1527 Y1541 | V1392-R1525 HydrophobicContact CG2-CB 3.86Å; V1392-R1525 HydrophobicContact CG2-CG 4.44Å; V1392-I1526 PolarHBondContact N-O 3.11Å; V1392-Y1527 HydrophobicContact CG2-CD1 4.13Å; V1392-Y1527 WeakPolarHBondContact O-CB 3.31Å; V1392-Y1541 HydrophobicContact CB-CE2 4.23Å; V1392-Y1541 HydrophobicContact CG2-CD2 4.03Å; V1392-Y1541 HydrophobicContact CG2-CE2 3.49Å; V1392-Y1541 VanDerWaalsContact CG2-CE2 3.49Å | ||
| 1393 | P | 82.2 | Confident | 73.6 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 159.8 | 170.4 | 27.6 | -35.3 | 0 | 0 | 0 | 111.4 | R1395 Y1541 | P1393-R1395 PolarHBondContact O-N 3.44Å; P1393-Y1541 WeakPolarHBondContact O-CE2 3.44Å; P1393-Y1541 PolarHBondContact O-OH 3.44Å |
| 1394 | A | 81.9 | Confident | 71.7 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 31% | 0.306 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 125.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T1396 Y1527 P1538 | A1394-T1396 PolarHBondContact O-N 2.83Å; A1394-Y1527 HydrophobicContact CB-CD2 4.31Å; A1394-P1538 HydrophobicContact CB-CB 4.14Å; A1394-P1538 HydrophobicContact CB-CG 3.85Å |
| 1395 | R | 80.1 | Confident | 69.8 | Low | 48 Ų | 48 | 71.2 Ų | 71.2 | 18% | 0.181 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 118.9 | -174.1 | -172.9 | -177.8 | -174.2 | 165.8 | 15.5 | 111.9 | P1393 S1397 Q1398 I1539 R1540 Y1541 | P1393-R1395 PolarHBondContact O-N 3.44Å; R1395-S1397 VanDerWaalsContact CG-O 3.24Å; R1395-S1397 WeakPolarHBondContact CG-O 3.44Å; R1395-S1397 PolarHBondContact NE-O 3.1Å; R1395-Q1398 PolarHBondContact NH2-O 3.06Å; R1395-I1539 HydrophobicContact CB-CB 4.45Å; R1395-I1539 WeakPolarHBondContact CB-O 3.31Å; R1395-I1539 HydrophobicContact CG-CB 4.25Å; R1395-I1539 PolarHBondContact O-N 2.79Å; R1395-R1540 PolarHBondContact NH1-O 2.93Å; R1395-Y1541 HydrophobicContact CB-CD2 4.34Å; R1395-Y1541 HydrophobicContact CB-CE1 4.46Å; R1395-Y1541 HydrophobicContact CB-CE2 3.79Å; R1395-Y1541 PolarHBondContact NH1-O 2.85Å |
| 1396 | T | 71.6 | Confident | 68.1 | Low | 137 Ų | 137 | 73.4 Ų | 73.4 | 84% | 0.84 | 41% | 0.411 | S | S | * | . | trans | -99.9 | -17.1 | -178.8 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | A1394 | A1394-T1396 PolarHBondContact O-N 2.83Š| ||
| 1397 | S | 68.4 | Low | 66.3 | Low | 54 Ų | 54 | 74 Ų | 74 | 38% | 0.378 | 42% | 0.417 | S | S | . | . | trans | -129.5 | 151.4 | 179.6 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | R1395 T1399 | R1395-S1397 VanDerWaalsContact CG-O 3.24Å; R1395-S1397 WeakPolarHBondContact CG-O 3.44Å; R1395-S1397 PolarHBondContact NE-O 3.1Å; S1397-T1399 VanDerWaalsContact C-N 3.35Å; S1397-T1399 PolarHBondContact OG-N 2.97Å; S1397-T1399 PolarHBondContact OG-OG1 3.47Å | ||
| 1398 | Q | 65.5 | Low | 64.2 | Low | 115 Ų | 115 | 75.2 Ų | 75.2 | 54% | 0.537 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -72.5 | -27.6 | 170.3 | -67 | -169.3 | -3 | 0 | 0 | 112.3 | R1395 I1539 | R1395-Q1398 PolarHBondContact NH2-O 3.06Å; Q1398-I1539 HydrophobicContact CG-CD1 3.98Å; Q1398-I1539 HydrophobicContact CG-CG2 4.38Å |
| 1399 | T | 57.7 | Low | 62.3 | Low | 65 Ų | 65 | 70.8 Ų | 70.8 | 40% | 0.399 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -68 | 140 | 173.9 | 2.9 | 0 | 0 | 0 | 0 | 111.7 | S1397 L1687 | S1397-T1399 VanDerWaalsContact C-N 3.35Å; S1397-T1399 PolarHBondContact OG-N 2.97Å; S1397-T1399 PolarHBondContact OG-OG1 3.47Å; T1399-L1687 HydrophobicContact CG2-CD2 3.71Å |
| 1400 | D | 54.8 | Low | 60.3 | Low | 72 Ų | 72 | 71.6 Ų | 71.6 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | trans | -75.5 | 138.4 | 171.2 | -164.5 | -22.7 | 0 | 0 | 0 | 110.8 | L1402 M1403 Y1685 | D1400-L1402 PolarHBondContact O-N 3.21Å; D1400-L1402 PolarHBondContact OD1-N 2.86Å; D1400-L1402 VanDerWaalsContact OD1-N 3.09Å; D1400-M1403 PolarHBondContact O-N 2.76Å; D1400-Y1685 HydrophobicContact CB-CD1 4.01Å | ||
| 1401 | V | 51.2 | Low | 57.7 | Low | 119 Ų | 119 | 76.1 Ų | 76.1 | 72% | 0.721 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -72.7 | -17.1 | -179.5 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | M1403 D1404 | V1401-M1403 PolarHBondContact O-N 3.06Å; V1401-D1404 PolarHBondContact O-N 2.84Å |
| 1402 | L | 49.1 | Very low | 55.2 | Low | 88 Ų | 88 | 75.5 Ų | 75.5 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -63.1 | -13.1 | 174.3 | -154.5 | 74.4 | 0 | 0 | 0 | 113.5 | D1400 K1649 Y1685 | D1400-L1402 PolarHBondContact O-N 3.21Å; D1400-L1402 PolarHBondContact OD1-N 2.86Å; D1400-L1402 VanDerWaalsContact OD1-N 3.09Å; L1402-K1649 HydrophobicContact CD2-CD 4.42Å; L1402-Y1685 HydrophobicContact CB-CE1 4.49Å; L1402-Y1685 HydrophobicContact CD2-CE1 4.05Å |
| 1403 | M | 45.6 | Very low | 52.7 | Low | 37 Ų | 37 | 78.5 Ų | 78.5 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -116.9 | 44.3 | 164.6 | -71.7 | -158.3 | 66.9 | 0 | 0 | 113.1 | D1400 V1401 I1405 L1687 V1706 L1741 | D1400-M1403 PolarHBondContact O-N 2.76Å; V1401-M1403 PolarHBondContact O-N 3.06Å; M1403-I1405 HydrophobicContact CB-CG1 4.38Å; M1403-I1405 HydrophobicContact CE-CD1 3.8Å; M1403-I1405 HydrophobicContact CE-CG1 3.6Å; M1403-I1405 PolarHBondContact O-N 2.96Å; M1403-L1687 HydrophobicContact CB-CD1 4.18Å; M1403-L1687 HydrophobicContact CE-CD1 4.11Å; M1403-L1687 HydrophobicContact CG-CD1 4.29Å; M1403-L1687 HydrophobicContact SD-CD1 3.4Å; M1403-L1687 WeakPolarHBondContact SD-CD1 3.41Å; M1403-V1706 HydrophobicContact CE-CG1 4.47Å; M1403-L1741 HydrophobicContact CE-CD2 4.28Å; M1403-L1741 HydrophobicContact SD-CD2 4.37Å |
| 1404 | D | 42.9 | Very low | 50.2 | Low | 106 Ų | 106 | 76.9 Ų | 76.9 | 57% | 0.567 | 44% | 0.444 | S | S | * | . | trans | -65.8 | 92.4 | 137.3 | -155.4 | -10.4 | 0 | 0 | 0 | 107.8 | V1401 Q1406 V1407 | V1401-D1404 PolarHBondContact O-N 2.84Å; D1404-Q1406 PolarHBondContact O-N 2.76Å; D1404-V1407 PolarHBondContact O-N 2.75Å | ||
| 1405 | I | 47 | Very low | 47.9 | Very low | 28 Ų | 28 | 81.7 Ų | 81.7 | 14% | 0.144 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -7.3 | -175.5 | -66.4 | 170.1 | 0 | 0 | 0 | 111.7 | M1403 V1407 L1408 T1409 R1709 | M1403-I1405 HydrophobicContact CB-CG1 4.38Å; M1403-I1405 HydrophobicContact CE-CD1 3.8Å; M1403-I1405 HydrophobicContact CE-CG1 3.6Å; M1403-I1405 PolarHBondContact O-N 2.96Å; I1405-V1407 PolarHBondContact O-N 2.97Å; I1405-L1408 HydrophobicContact CG2-CB 4.4Å; I1405-L1408 WeakPolarHBondContact O-CA 3.25Å; I1405-L1408 WeakPolarHBondContact O-CB 3.03Å; I1405-L1408 PolarHBondContact O-N 2.82Å; I1405-T1409 PolarHBondContact O-N 3Å; I1405-R1709 HydrophobicContact CD1-CB 4.38Å; I1405-R1709 HydrophobicContact CG2-CB 4.1Å; I1405-R1709 HydrophobicContact CG2-CG 4.48Å |
| 1406 | Q | 41.9 | Very low | 45.4 | Very low | 98 Ų | 98 | 87.2 Ų | 87.2 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31.2 | 175.3 | -155.3 | 61 | 12.3 | 0 | 0 | 114.6 | D1404 L1408 T1409 D1410 | D1404-Q1406 PolarHBondContact O-N 2.76Å; Q1406-L1408 VanDerWaalsContact C-N 3.26Å; Q1406-L1408 PolarHBondContact O-N 3.07Å; Q1406-T1409 VanDerWaalsContact O-CA 3.31Å; Q1406-T1409 WeakPolarHBondContact O-CA 3.4Å; Q1406-T1409 WeakPolarHBondContact O-CB 3.45Å; Q1406-T1409 PolarHBondContact O-N 3.33Å; Q1406-T1409 PolarHBondContact OE1-OG1 2.75Å; Q1406-D1410 PolarHBondContact O-N 3.47Å |
| 1407 | V | 43.1 | Very low | 43.5 | Very low | 100 Ų | 100 | 89 Ų | 89 | 61% | 0.606 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -31.9 | 173 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | D1404 I1405 T1409 I1411 | D1404-V1407 PolarHBondContact O-N 2.75Å; I1405-V1407 PolarHBondContact O-N 2.97Å; V1407-T1409 VanDerWaalsContact C-N 3.29Å; V1407-I1411 HydrophobicContact CG1-CD1 4.48Å; V1407-I1411 WeakPolarHBondContact O-CG1 3.44Å; V1407-I1411 PolarHBondContact O-N 2.94Å |
| 1408 | L | 41.4 | Very low | 41.6 | Very low | 30 Ų | 30 | 92.6 Ų | 92.6 | 16% | 0.157 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -79.2 | -9.7 | 169.6 | -74 | 172.2 | 0 | 0 | 0 | 113.2 | I1405 Q1406 R1709 K1740 | I1405-L1408 HydrophobicContact CG2-CB 4.4Å; I1405-L1408 WeakPolarHBondContact O-CA 3.25Å; I1405-L1408 WeakPolarHBondContact O-CB 3.03Å; I1405-L1408 PolarHBondContact O-N 2.82Å; Q1406-L1408 VanDerWaalsContact C-N 3.26Å; Q1406-L1408 PolarHBondContact O-N 3.07Å; L1408-R1709 PolarHBondContact O-NH1 3.34Å; L1408-R1709 PolarHBondContact O-NH2 2.73Å; L1408-K1740 HydrophobicContact CD2-CB 4.11Å; L1408-K1740 WeakPolarHBondContact CD2-O 3.45Å |
| 1409 | T | 40.4 | Very low | 39.7 | Very low | 45 Ų | 45 | 93 Ų | 93 | 28% | 0.276 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -79.3 | -44.4 | 169.1 | -51.5 | 0 | 0 | 0 | 0 | 109.3 | I1405 Q1406 V1407 A1412 C1413 | I1405-T1409 PolarHBondContact O-N 3Å; Q1406-T1409 VanDerWaalsContact O-CA 3.31Å; Q1406-T1409 WeakPolarHBondContact O-CA 3.4Å; Q1406-T1409 WeakPolarHBondContact O-CB 3.45Å; Q1406-T1409 PolarHBondContact O-N 3.33Å; Q1406-T1409 PolarHBondContact OE1-OG1 2.75Å; V1407-T1409 VanDerWaalsContact C-N 3.29Å; T1409-A1412 CarbonylContact O-C 3.54Å; T1409-A1412 WeakPolarHBondContact O-CA 3.27Å; T1409-A1412 WeakPolarHBondContact O-CB 3.31Å; T1409-A1412 PolarHBondContact O-N 2.94Å; T1409-C1413 PolarHBondContact O-N 3.37Å |
| 1410 | D | 40 | Very low | 38.4 | Very low | 100 Ų | 100 | 97.7 Ų | 97.7 | 54% | 0.535 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.5 | -42.3 | -179.2 | -65.8 | -19.7 | 0 | 0 | 0 | 112.3 | Q1406 A1412 C1413 S1414 | Q1406-D1410 PolarHBondContact O-N 3.47Å; D1410-A1412 PolarHBondContact O-N 2.87Å; D1410-A1412 VanDerWaalsContact O-N 3.16Å; D1410-C1413 PolarHBondContact O-N 2.85Å; D1410-S1414 PolarHBondContact O-N 2.86Å; D1410-S1414 PolarHBondContact O-OG 2.87Å |
| 1411 | I | 34.9 | Very low | 37.1 | Very low | 109 Ų | 109 | 98.7 Ų | 98.7 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.5 | -21.4 | 172.9 | -63.8 | 169.9 | 0 | 0 | 0 | 112.3 | V1407 S1414 | V1407-I1411 HydrophobicContact CG1-CD1 4.48Å; V1407-I1411 WeakPolarHBondContact O-CG1 3.44Å; V1407-I1411 PolarHBondContact O-N 2.94Å; I1411-S1414 PolarHBondContact O-OG 2.87Å |
| 1412 | A | 33.3 | Very low | 36.1 | Very low | 62 Ų | 62 | 100.8 Ų | 100.8 | 51% | 0.512 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -89.2 | -21.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1409 D1410 | T1409-A1412 CarbonylContact O-C 3.54Å; T1409-A1412 WeakPolarHBondContact O-CA 3.27Å; T1409-A1412 WeakPolarHBondContact O-CB 3.31Å; T1409-A1412 PolarHBondContact O-N 2.94Å; D1410-A1412 PolarHBondContact O-N 2.87Å; D1410-A1412 VanDerWaalsContact O-N 3.16Å |
| 1413 | C | 33 | Very low | 35.3 | Very low | 101 Ų | 101 | 102 Ų | 102 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -87.5 | -25.3 | 173.8 | -80.9 | 0 | 0 | 0 | 0 | 113.1 | T1409 D1410 T1415 | T1409-C1413 PolarHBondContact O-N 3.37Å; D1410-C1413 PolarHBondContact O-N 2.85Å; C1413-T1415 PolarHBondContact O-N 3.11Å |
| 1414 | S | 31.4 | Very low | 34.4 | Very low | 64 Ų | 64 | 110.1 Ų | 110.1 | 45% | 0.448 | 62% | 0.622 | S | S | . | * | trans | -77.1 | 95.8 | 165.2 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | D1410 I1411 Q1416 | D1410-S1414 PolarHBondContact O-N 2.86Å; D1410-S1414 PolarHBondContact O-OG 2.87Å; I1411-S1414 PolarHBondContact O-OG 2.87Å; S1414-Q1416 PolarHBondContact O-N 3.34Å | ||
| 1415 | T | 31.7 | Very low | 33.9 | Very low | 138 Ų | 138 | 110.6 Ų | 110.6 | 85% | 0.847 | 63% | 0.629 | S | S | * | * | trans | -73.2 | 46 | 169.7 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | C1413 | C1413-T1415 PolarHBondContact O-N 3.11Š| ||
| 1416 | Q | 28.6 | Very low | 33 | Very low | 164 Ų | 164 | 117.6 Ų | 117.6 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | trans | -120.6 | 103.4 | 172.3 | -70 | -176.4 | -4.1 | 0 | 0 | 106.6 | S1414 | S1414-Q1416 PolarHBondContact O-N 3.34Š| ||
| 1417 | E | 30.4 | Very low | 32.5 | Very low | 175 Ų | 175 | 120.5 Ų | 120.5 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -55.9 | 130.8 | 168.9 | -67.5 | 172.9 | 141.8 | 0 | 0 | 107.9 | C1419 | E1417-C1419 PolarHBondContact O-N 3.43Š| ||
| 1418 | P | 29 | Very low | 31.8 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 83% | 0.831 | 69% | 0.691 | S | S | * | * | trans | -63.7 | 111.2 | -177.1 | 24.1 | -32.4 | 0 | 0 | 0 | 109.4 | L1420 | P1418-L1420 VanDerWaalsContact C-N 3.34Å; P1418-L1420 PolarHBondContact O-N 2.93Å | ||
| 1419 | C | 26 | Very low | 31.3 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | trans | -65.2 | 82.8 | -172.8 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | E1417 A1421 | E1417-C1419 PolarHBondContact O-N 3.43Å; C1419-A1421 PolarHBondContact O-N 3.13Å | ||
| 1420 | L | 30.1 | Very low | 30.9 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -63.6 | 113.3 | 141.3 | -73.6 | 177.1 | 0 | 0 | 0 | 106 | P1418 E1422 | P1418-L1420 VanDerWaalsContact C-N 3.34Å; P1418-L1420 PolarHBondContact O-N 2.93Å; L1420-E1422 VanDerWaalsContact C-N 3.35Å; L1420-E1422 PolarHBondContact O-N 2.79Å | ||
| 1421 | A | 28.1 | Very low | 30.4 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -67.7 | 88 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1419 P1423 | C1419-A1421 PolarHBondContact O-N 3.13Å; A1421-P1423 WeakPolarHBondContact O-CD 3.39Å | ||
| 1422 | E | 30.8 | Very low | 30.4 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -61.2 | 120 | 163.1 | -69.3 | -156.6 | 142.7 | 0 | 0 | 108.2 | L1420 K1424 | L1420-E1422 VanDerWaalsContact C-N 3.35Å; L1420-E1422 PolarHBondContact O-N 2.79Å; E1422-K1424 PolarHBondContact O-N 3.11Å; E1422-K1424 VanDerWaalsContact O-N 3.11Å | ||
| 1423 | P | 31.2 | Very low | 30.3 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -64.4 | 118.3 | 178.2 | 25.6 | -32.4 | 0 | 0 | 0 | 108.5 | A1421 V1425 | A1421-P1423 WeakPolarHBondContact O-CD 3.39Å; P1423-V1425 VanDerWaalsContact C-N 3.31Å; P1423-V1425 PolarHBondContact O-N 3.34Å | ||
| 1424 | K | 27.9 | Very low | 30.1 | Very low | 208 Ų | 208 | 145.6 Ų | 145.6 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 87.2 | 178.7 | -71.5 | -179.6 | 178.3 | 175.4 | 0 | 111 | E1422 | E1422-K1424 PolarHBondContact O-N 3.11Å; E1422-K1424 VanDerWaalsContact O-N 3.11Å | ||
| 1425 | V | 31.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | trans | -85.6 | 111.5 | 163.6 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | P1423 L1427 | P1423-V1425 VanDerWaalsContact C-N 3.31Å; P1423-V1425 PolarHBondContact O-N 3.34Å; V1425-L1427 VanDerWaalsContact C-N 3.3Å; V1425-L1427 PolarHBondContact O-N 3.38Å | ||
| 1426 | E | 27.8 | Very low | 30.1 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -69.5 | 79.4 | -176.6 | -64.3 | -173 | 144.9 | 0 | 0 | 112.3 | Q1428 | E1426-Q1428 PolarHBondContact O-N 3.39Å; E1426-Q1428 VanDerWaalsContact O-N 3.07Å | ||
| 1427 | L | 31.3 | Very low | 30.2 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -74.7 | 95.9 | 171.7 | -90.8 | 155.4 | 0 | 0 | 0 | 110.5 | V1425 S1429 | V1425-L1427 VanDerWaalsContact C-N 3.3Å; V1425-L1427 PolarHBondContact O-N 3.38Å; L1427-S1429 PolarHBondContact O-N 3.17Å | ||
| 1428 | Q | 29.8 | Very low | 30.3 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -58.8 | 98.6 | 176.4 | -64.2 | 179.3 | 0.7 | 0 | 0 | 111.5 | E1426 P1430 | E1426-Q1428 PolarHBondContact O-N 3.39Å; E1426-Q1428 VanDerWaalsContact O-N 3.07Å; Q1428-P1430 WeakPolarHBondContact O-CD 3.47Å | ||
| 1429 | S | 30.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -78 | 121.3 | -177.8 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | L1427 | L1427-S1429 PolarHBondContact O-N 3.17Š| ||
| 1430 | P | 32.2 | Very low | 31.1 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -76.6 | 126.2 | 176.3 | 29.3 | -33.1 | 0 | 0 | 0 | 112.1 | Q1428 K1432 | Q1428-P1430 WeakPolarHBondContact O-CD 3.47Å; P1430-K1432 PolarHBondContact O-N 3.09Å | ||
| 1431 | V | 29 | Very low | 31.6 | Very low | 142 Ų | 142 | 156.2 Ų | 156.2 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -68.4 | 107.8 | -178.3 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1432 | K | 34.2 | Very low | 32.5 | Very low | 190 Ų | 190 | 153.9 Ų | 153.9 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -140.8 | 114.8 | 162.8 | -73 | -164.4 | 178.2 | 175.5 | 0 | 115.9 | P1430 | P1430-K1432 PolarHBondContact O-N 3.09Š| ||
| 1433 | S | 32.5 | Very low | 33.5 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 44.2 | 106.4 | 144.1 | 59.1 | 0 | 0 | 0 | 0 | 119.9 | S1435 | S1433-S1435 PolarHBondContact O-N 2.89Š| ||
| 1434 | K | 27.9 | Very low | 34.3 | Very low | 222 Ų | 222 | 150.4 Ų | 150.4 | 97% | 0.965 | 75% | 0.751 | S | S | * | * | trans | -53.2 | 112.6 | 166.1 | -63.1 | 168.7 | 178.7 | 174.2 | 0 | 111.8 | ||||
| 1435 | S | 32.8 | Very low | 35.6 | Very low | 90 Ų | 90 | 149.3 Ų | 149.3 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | -122.7 | 131.1 | 161 | 73.2 | 0 | 0 | 0 | 0 | 109.8 | S1433 Q1437 | S1433-S1435 PolarHBondContact O-N 2.89Å; S1435-Q1437 PolarHBondContact O-N 3.35Å | ||
| 1436 | K | 30.6 | Very low | 36.6 | Very low | 220 Ų | 220 | 149.8 Ų | 149.8 | 96% | 0.957 | 74% | 0.741 | S | S | * | * | trans | -77.1 | 71.6 | -178.6 | -71.4 | -179.8 | 174.6 | 179.8 | 0 | 110.2 | K1438 | K1436-K1438 PolarHBondContact O-N 2.99Š| ||
| 1437 | Q | 30.7 | Very low | 37.9 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -68.3 | 116.6 | 169.7 | -78.3 | -174.5 | -22.5 | 0 | 0 | 109.3 | S1435 K1439 | S1435-Q1437 PolarHBondContact O-N 3.35Å; Q1437-K1439 PolarHBondContact O-N 2.86Å | ||
| 1438 | K | 31.7 | Very low | 39.3 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | trans | -55.7 | 119.3 | 166.1 | -71.7 | 177.5 | 171.7 | -178.5 | 0 | 107.5 | K1436 K1440 | K1436-K1438 PolarHBondContact O-N 2.99Å; K1438-K1440 PolarHBondContact O-N 3.24Å | ||
| 1439 | K | 34.9 | Very low | 41 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 62% | 0.617 | 68% | 0.682 | S | S | * | * | trans | -55.2 | 103.9 | 170.2 | -81.1 | -171.4 | 171.5 | -174.5 | 0 | 107.5 | Q1437 F1441 G1719 M1720 P1722 | Q1437-K1439 PolarHBondContact O-N 2.86Å; K1439-F1441 PolarHBondContact O-N 3.22Å; K1439-G1719 PolarHBondContact NZ-O 2.98Å; K1439-G1719 VanDerWaalsContact NZ-O 3.13Å; K1439-M1720 PolarHBondContact NZ-O 3.26Å; K1439-P1722 HydrophobicContact CD-CG 4.45Å | ||
| 1440 | K | 37 | Very low | 43 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130.6 | 162 | -93.6 | -173.8 | 170.2 | -174.2 | 0 | 106.2 | K1438 M1442 | K1438-K1440 PolarHBondContact O-N 3.24Å; K1440-M1442 PolarHBondContact O-N 2.71Å |
| 1441 | F | 41.9 | Very low | 45.3 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 135 | 160.2 | -111.1 | -100.7 | 0 | 0 | 0 | 108 | K1439 D1443 P1722 | K1439-F1441 PolarHBondContact O-N 3.22Å; F1441-D1443 PolarHBondContact O-N 3.03Å; F1441-P1722 HydrophobicContact CD1-CB 4.35Å; F1441-P1722 HydrophobicContact CE1-CB 4.42Å; F1441-P1722 HydrophobicContact CG-CB 4.44Å |
| 1442 | M | 46.4 | Very low | 48 | Very low | 45 Ų | 45 | 128.6 Ų | 128.6 | 22% | 0.222 | 61% | 0.613 | C | S | . | * | P | Polyproline II helix | trans | -67.4 | 128.5 | 172.4 | -146.4 | 173 | 79.2 | 0 | 0 | 107.2 | K1440 Q1446 F1473 | K1440-M1442 PolarHBondContact O-N 2.71Å; M1442-Q1446 HydrophobicContact CE-CB 4.14Å; M1442-Q1446 HydrophobicContact CG-CB 3.97Å; M1442-Q1446 HydrophobicContact SD-CB 4.43Å; M1442-F1473 HydrophobicContact CE-CD1 3.82Å; M1442-F1473 HydrophobicContact CE-CE1 3.51Å; M1442-F1473 HydrophobicContact CE-CZ 4.01Å; M1442-F1473 HydrophobicContact SD-CD1 4.12Å; M1442-F1473 HydrophobicContact SD-CE1 3.84Å |
| 1443 | D | 51.4 | Low | 50.6 | Low | 93 Ų | 93 | 120 Ų | 120 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 141.4 | 177.3 | -170.6 | -4.1 | 0 | 0 | 0 | 108.4 | F1441 K1445 Q1446 | F1441-D1443 PolarHBondContact O-N 3.03Å; D1443-K1445 PolarHBondContact O-N 3.08Å; D1443-Q1446 WeakPolarHBondContact O-CB 3.48Å; D1443-Q1446 PolarHBondContact O-N 2.63Å |
| 1444 | L | 49.2 | Very low | 53.3 | Low | 109 Ų | 109 | 115 Ų | 115 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -53.4 | -27.2 | 179.3 | -80.2 | 141.2 | 0 | 0 | 0 | 111.7 | Q1446 I1447 P1724 | L1444-Q1446 PolarHBondContact O-N 2.94Å; L1444-I1447 HydrophobicContact CB-CD1 4.47Å; L1444-I1447 HydrophobicContact CD2-CD1 3.93Å; L1444-I1447 WeakPolarHBondContact O-CD1 3.3Å; L1444-I1447 WeakPolarHBondContact O-CG1 3.41Å; L1444-I1447 PolarHBondContact O-N 3.25Å; L1444-P1724 HydrophobicContact CD2-CB 3.89Å; L1444-P1724 HydrophobicContact CG-CB 4.12Å |
| 1445 | K | 53.7 | Low | 56.2 | Low | 186 Ų | 186 | 104.5 Ų | 104.5 | 81% | 0.809 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -70 | -0.7 | 174.9 | -61.1 | -177.3 | 177.6 | -178 | 0 | 115.7 | D1443 | D1443-K1445 PolarHBondContact O-N 3.08Š|
| 1446 | Q | 53.2 | Low | 59 | Low | 125 Ų | 125 | 100.2 Ų | 100.2 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -105.8 | 0.2 | 175.5 | -65.9 | -170.8 | -27.5 | 0 | 0 | 113.2 | M1442 D1443 L1444 | M1442-Q1446 HydrophobicContact CE-CB 4.14Å; M1442-Q1446 HydrophobicContact CG-CB 3.97Å; M1442-Q1446 HydrophobicContact SD-CB 4.43Å; D1443-Q1446 WeakPolarHBondContact O-CB 3.48Å; D1443-Q1446 PolarHBondContact O-N 2.63Å; L1444-Q1446 PolarHBondContact O-N 2.94Å |
| 1447 | I | 55.9 | Low | 61.9 | Low | 30 Ų | 30 | 89.7 Ų | 89.7 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -68.3 | 139.2 | 169.5 | -56.4 | 166.3 | 0 | 0 | 0 | 107.7 | L1444 D1449 P1724 | L1444-I1447 HydrophobicContact CB-CD1 4.47Å; L1444-I1447 HydrophobicContact CD2-CD1 3.93Å; L1444-I1447 WeakPolarHBondContact O-CD1 3.3Å; L1444-I1447 WeakPolarHBondContact O-CG1 3.41Å; L1444-I1447 PolarHBondContact O-N 3.25Å; I1447-D1449 PolarHBondContact O-N 2.83Å; I1447-P1724 HydrophobicContact CD1-CB 4.2Å; I1447-P1724 HydrophobicContact CD1-CG 3.47Å; I1447-P1724 VanDerWaalsContact CD1-CG 3.47Å; I1447-P1724 HydrophobicContact CG1-CG 3.82Å |
| 1448 | D | 59.2 | Low | 64.7 | Low | 50 Ų | 50 | 81.5 Ų | 81.5 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | trans | -80.9 | 109.4 | 168.7 | -169.9 | -12.6 | 0 | 0 | 0 | 107.8 | K1450 I1451 | D1448-K1450 PolarHBondContact O-N 2.76Å; D1448-K1450 WeakPolarHBondContact OD1-CB 3.21Å; D1448-K1450 WeakPolarHBondContact OD1-CG 3.37Å; D1448-K1450 PolarHBondContact OD1-N 2.97Å; D1448-I1451 HydrophobicContact CB-CD1 4.25Å; D1448-I1451 HydrophobicContact CB-CG1 4.22Å; D1448-I1451 PolarHBondContact O-N 3.33Å | ||
| 1449 | D | 65.2 | Low | 67.4 | Low | 160 Ų | 160 | 72.3 Ų | 72.3 | 86% | 0.856 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -10 | -179.2 | -60 | -33.8 | 0 | 0 | 0 | 113.4 | I1447 | I1447-D1449 PolarHBondContact O-N 2.83Š|
| 1450 | K | 72.9 | Confident | 70.1 | Confident | 135 Ų | 135 | 67 Ų | 67 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -3.6 | 177.3 | -58.2 | 173.9 | -175.9 | 173.3 | 0 | 114.6 | D1448 D1452 L1468 | D1448-K1450 PolarHBondContact O-N 2.76Å; D1448-K1450 WeakPolarHBondContact OD1-CB 3.21Å; D1448-K1450 WeakPolarHBondContact OD1-CG 3.37Å; D1448-K1450 PolarHBondContact OD1-N 2.97Å; K1450-D1452 PolarHBondContact O-N 3.49Å; K1450-L1468 HydrophobicContact CB-CD1 4Å; K1450-L1468 WeakPolarHBondContact O-CD1 3.32Å |
| 1451 | I | 80.7 | Confident | 72.5 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | trans | -75.9 | 114.5 | 179.3 | -67.9 | 177.5 | 0 | 0 | 0 | 110.2 | D1448 L1468 Y1470 F1473 Y1475 P1665 | D1448-I1451 HydrophobicContact CB-CD1 4.25Å; D1448-I1451 HydrophobicContact CB-CG1 4.22Å; D1448-I1451 PolarHBondContact O-N 3.33Å; I1451-L1468 HydrophobicContact CG1-CD1 4.44Å; I1451-Y1470 HydrophobicContact CG2-CD2 3.6Å; I1451-Y1470 HydrophobicContact CG2-CE2 4.2Å; I1451-F1473 HydrophobicContact CD1-CD2 3.57Å; I1451-F1473 HydrophobicContact CD1-CE2 3.54Å; I1451-Y1475 HydrophobicContact CD1-CE2 4.42Å; I1451-Y1475 HydrophobicContact CG2-CE2 4.44Å; I1451-P1665 HydrophobicContact CG2-CG 4.01Å | ||
| 1452 | D | 85.4 | Confident | 74.4 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | trans | -117.2 | -173.4 | -175.9 | 61.8 | 6.8 | 0 | 0 | 0 | 112.3 | K1450 W1454 S1455 R1789 | K1450-D1452 PolarHBondContact O-N 3.49Å; D1452-W1454 PolarHBondContact OD1-N 2.85Å; D1452-S1455 WeakPolarHBondContact O-CB 3.33Å; D1452-S1455 PolarHBondContact O-N 2.94Å; D1452-S1455 WeakPolarHBondContact OD1-CB 3.4Å; D1452-S1455 PolarHBondContact OD1-N 3.18Å; D1452-R1789 IonicContact OD1-CZ 3.63Å; D1452-R1789 IonicContact OD1-NE 3.74Å; D1452-R1789 IonicContact OD1-NH2 3.76Å; D1452-R1789 PolarHBondContact OD1-NH2 3.14Å; D1452-R1789 WeakPolarHBondContact OD2-CG 3.34Å; D1452-R1789 IonicContact OD2-CZ 3.76Å; D1452-R1789 IonicContact OD2-NE 3.06Å; D1452-R1789 PolarHBondContact OD2-NE 2.87Å; D1452-R1789 IonicContact OD2-NH2 3.82Å | ||
| 1453 | W | 89.7 | Confident | 76.1 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -33.7 | 175.3 | -178.8 | 91.8 | 0 | 0 | 0 | 112.8 | S1455 K1456 F1457 I1478 I1561 V1748 W1769 F1784 D1785 I1786 | W1453-S1455 VanDerWaalsContact C-N 3.27Å; W1453-S1455 PolarHBondContact O-N 3.47Å; W1453-K1456 WeakPolarHBondContact O-CA 3.49Å; W1453-K1456 VanDerWaalsContact O-CB 3.27Å; W1453-K1456 WeakPolarHBondContact O-CB 3.41Å; W1453-K1456 PolarHBondContact O-N 3.44Å; W1453-F1457 HydrophobicContact CE3-CB 4.2Å; W1453-F1457 HydrophobicContact CH2-CB 3.78Å; W1453-F1457 AromaticContact CH2-CD2 3.66Å; W1453-F1457 HydrophobicContact CH2-CD2 3.66Å; W1453-F1457 HydrophobicContact CH2-CE2 4.48Å; W1453-F1457 AromaticContact CH2-CG 3.84Å; W1453-F1457 HydrophobicContact CH2-CG 3.84Å; W1453-F1457 HydrophobicContact CZ2-CB 4.27Å; W1453-F1457 HydrophobicContact CZ2-CD2 4.26Å; W1453-F1457 HydrophobicContact CZ3-CB 3.76Å; W1453-F1457 HydrophobicContact CZ3-CD2 4.31Å; W1453-F1457 HydrophobicContact CZ3-CG 4.03Å; W1453-F1457 PolarHBondContact O-N 2.96Å; W1453-I1478 HydrophobicContact CZ2-CD1 4.21Å; W1453-I1561 HydrophobicContact CH2-CD1 3.82Å; W1453-I1561 HydrophobicContact CH2-CG1 3.81Å; W1453-I1561 HydrophobicContact CH2-CG2 4.15Å; W1453-I1561 HydrophobicContact CZ2-CD1 4.43Å; W1453-I1561 HydrophobicContact CZ3-CG1 4.49Å; W1453-I1561 HydrophobicContact CZ3-CG2 4.23Å; W1453-V1748 HydrophobicContact CZ2-CG2 4.47Å; W1453-W1769 AromaticContact CE2-CH2 3.72Å; W1453-W1769 HydrophobicContact CH2-CH2 4.21Å; W1453-W1769 AromaticContact CH2-CZ3 3.88Å; W1453-W1769 HydrophobicContact CH2-CZ3 3.88Å; W1453-W1769 AromaticContact CZ2-CH2 3.44Å; W1453-W1769 HydrophobicContact CZ2-CH2 3.44Å; W1453-W1769 VanDerWaalsContact CZ2-CH2 3.44Å; W1453-W1769 AromaticContact CZ2-CZ3 3.39Å; W1453-W1769 HydrophobicContact CZ2-CZ3 3.39Å; W1453-W1769 AromaticContact NE1-CH2 3.89Å; W1453-F1784 AromaticContact CD1-CD2 3.43Å; W1453-F1784 VanDerWaalsContact CD1-CD2 3.43Å; W1453-F1784 AromaticContact CD1-CE2 3.83Å; W1453-F1784 AromaticContact CD1-CG 3.75Å; W1453-F1784 AromaticContact NE1-CD2 3.52Å; W1453-F1784 AromaticContact NE1-CE2 3.83Å; W1453-D1785 WeakPolarHBondContact CB-O 3.2Å; W1453-I1786 HydrophobicContact CB-CG2 4.31Å; W1453-I1786 HydrophobicContact CD2-CB 4.34Å; W1453-I1786 HydrophobicContact CD2-CG2 3.41Å; W1453-I1786 VanDerWaalsContact CD2-CG2 3.41Å; W1453-I1786 HydrophobicContact CE3-CB 3.99Å; W1453-I1786 HydrophobicContact CE3-CG2 3.56Å; W1453-I1786 HydrophobicContact CG-CG2 3.74Å; W1453-I1786 HydrophobicContact CZ2-CG2 4.38Å; W1453-I1786 HydrophobicContact CZ3-CB 4.36Å; W1453-I1786 HydrophobicContact CZ3-CG2 4.12Å |
| 1454 | W | 89.1 | Confident | 77.2 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -35.1 | 176.1 | -73.1 | 100.3 | 0 | 0 | 0 | 112.2 | D1452 K1456 F1457 Y1458 I1561 I1786 S1787 | D1452-W1454 PolarHBondContact OD1-N 2.85Å; W1454-K1456 VanDerWaalsContact C-N 3.27Å; W1454-K1456 PolarHBondContact O-N 3.43Å; W1454-F1457 HydrophobicContact CE3-CD1 4.02Å; W1454-F1457 HydrophobicContact CZ3-CD1 4.06Å; W1454-F1457 HydrophobicContact CZ3-CE1 4.32Å; W1454-F1457 PolarHBondContact O-N 3.18Å; W1454-Y1458 HydrophobicContact CB-CD2 4.22Å; W1454-Y1458 HydrophobicContact CB-CE2 4Å; W1454-Y1458 HydrophobicContact CE3-CE1 4.5Å; W1454-Y1458 AromaticContact CE3-CE2 3.9Å; W1454-Y1458 HydrophobicContact CE3-CE2 3.9Å; W1454-Y1458 AromaticContact CE3-CZ 3.78Å; W1454-Y1458 WeakPolarHBondContact O-CB 3.33Å; W1454-Y1458 WeakPolarHBondContact O-CD2 3.49Å; W1454-Y1458 PolarHBondContact O-N 2.82Å; W1454-I1561 HydrophobicContact CH2-CG2 3.59Å; W1454-I1561 HydrophobicContact CZ2-CG2 4.44Å; W1454-I1561 HydrophobicContact CZ3-CG2 3.89Å; W1454-I1786 PolarHBondContact NE1-O 2.95Å; W1454-I1786 VanDerWaalsContact NE1-O 3.13Å; W1454-S1787 PolarHBondContact NE1-O 3.09Å |
| 1455 | S | 89 | Confident | 78.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -38.1 | 171.4 | -101.4 | 0 | 0 | 0 | 0 | 112.5 | D1452 W1453 A1459 C1467 R1789 | D1452-S1455 WeakPolarHBondContact O-CB 3.33Å; D1452-S1455 PolarHBondContact O-N 2.94Å; D1452-S1455 WeakPolarHBondContact OD1-CB 3.4Å; D1452-S1455 PolarHBondContact OD1-N 3.18Å; W1453-S1455 VanDerWaalsContact C-N 3.27Å; W1453-S1455 PolarHBondContact O-N 3.47Å; S1455-A1459 VanDerWaalsContact O-CB 3.23Å; S1455-A1459 WeakPolarHBondContact O-CB 3.12Å; S1455-A1459 PolarHBondContact O-N 2.83Å; S1455-A1459 VanDerWaalsContact O-N 3.14Å; S1455-C1467 WeakPolarHBondContact CB-O 3.36Å; S1455-C1467 WeakPolarHBondContact O-CB 3.23Å; S1455-C1467 PolarHBondContact OG-O 3.02Å; S1455-R1789 VanDerWaalsContact N-NH2 3.2Å; S1455-R1789 PolarHBondContact OG-NH2 2.68Å; S1455-R1789 VanDerWaalsContact OG-NH2 3.09Å |
| 1456 | K | 91.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 173.6 | -178 | 178.8 | -164 | -177.7 | 0 | 111.9 | W1453 W1454 S1460 Y1470 I1478 N1666 E1746 | W1453-K1456 WeakPolarHBondContact O-CA 3.49Å; W1453-K1456 VanDerWaalsContact O-CB 3.27Å; W1453-K1456 WeakPolarHBondContact O-CB 3.41Å; W1453-K1456 PolarHBondContact O-N 3.44Å; W1454-K1456 VanDerWaalsContact C-N 3.27Å; W1454-K1456 PolarHBondContact O-N 3.43Å; K1456-S1460 WeakPolarHBondContact O-CB 3.22Å; K1456-S1460 PolarHBondContact O-N 2.78Å; K1456-S1460 VanDerWaalsContact O-N 3.13Å; K1456-S1460 PolarHBondContact O-OG 2.98Å; K1456-Y1470 HydrophobicContact CB-CE1 4.23Å; K1456-Y1470 HydrophobicContact CB-CE2 3.74Å; K1456-Y1470 HydrophobicContact CG-CE1 4.3Å; K1456-Y1470 HydrophobicContact CG-CE2 4.38Å; K1456-Y1470 VanDerWaalsContact CG-OH 3.3Å; K1456-Y1470 WeakPolarHBondContact CG-OH 3.33Å; K1456-I1478 HydrophobicContact CD-CG2 3.98Å; K1456-I1478 HydrophobicContact CG-CG2 4.18Å; K1456-N1666 WeakPolarHBondContact CD-OD1 3.38Å; K1456-N1666 WeakPolarHBondContact CE-OD1 3.19Å; K1456-N1666 PolarHBondContact NZ-OD1 3.06Å; K1456-E1746 WeakPolarHBondContact CE-OE2 3.31Å; K1456-E1746 IonicContact NZ-OE1 3.48Å; K1456-E1746 PolarHBondContact NZ-OE1 2.88Å; K1456-E1746 IonicContact NZ-OE2 3.59Å; K1456-E1746 PolarHBondContact NZ-OE2 3.23Å |
| 1457 | F | 92.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -53.8 | 178.3 | -179.8 | -105 | 0 | 0 | 0 | 111.6 | W1453 W1454 A1459 S1460 I1461 I1478 I1561 V1748 | W1453-F1457 HydrophobicContact CE3-CB 4.2Å; W1453-F1457 HydrophobicContact CH2-CB 3.78Å; W1453-F1457 AromaticContact CH2-CD2 3.66Å; W1453-F1457 HydrophobicContact CH2-CD2 3.66Å; W1453-F1457 HydrophobicContact CH2-CE2 4.48Å; W1453-F1457 AromaticContact CH2-CG 3.84Å; W1453-F1457 HydrophobicContact CH2-CG 3.84Å; W1453-F1457 HydrophobicContact CZ2-CB 4.27Å; W1453-F1457 HydrophobicContact CZ2-CD2 4.26Å; W1453-F1457 HydrophobicContact CZ3-CB 3.76Å; W1453-F1457 HydrophobicContact CZ3-CD2 4.31Å; W1453-F1457 HydrophobicContact CZ3-CG 4.03Å; W1453-F1457 PolarHBondContact O-N 2.96Å; W1454-F1457 HydrophobicContact CE3-CD1 4.02Å; W1454-F1457 HydrophobicContact CZ3-CD1 4.06Å; W1454-F1457 HydrophobicContact CZ3-CE1 4.32Å; W1454-F1457 PolarHBondContact O-N 3.18Å; F1457-A1459 PolarHBondContact O-N 2.68Å; F1457-S1460 WeakPolarHBondContact O-CA 3.01Å; F1457-S1460 WeakPolarHBondContact O-CB 3.36Å; F1457-S1460 PolarHBondContact O-N 2.94Å; F1457-I1461 HydrophobicContact CD1-CD1 4.3Å; F1457-I1461 HydrophobicContact CE1-CD1 3.77Å; F1457-I1461 HydrophobicContact CE2-CG2 4.45Å; F1457-I1461 HydrophobicContact CZ-CD1 4.2Å; F1457-I1461 HydrophobicContact CZ-CG2 4.39Å; F1457-I1461 PolarHBondContact O-N 3.36Å; F1457-I1461 VanDerWaalsContact O-N 3.12Å; F1457-I1478 HydrophobicContact CD2-CD1 4.18Å; F1457-I1561 HydrophobicContact CD2-CD1 4.48Å; F1457-I1561 HydrophobicContact CE2-CD1 4.08Å; F1457-I1561 HydrophobicContact CZ-CG2 4.35Å; F1457-V1748 HydrophobicContact CD2-CG2 4.27Å; F1457-V1748 HydrophobicContact CE2-CG1 4.44Å; F1457-V1748 HydrophobicContact CE2-CG2 4.22Å |
| 1458 | Y | 89.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -39.1 | 179.5 | -67.2 | -53 | 0 | 0 | 0 | 112.8 | W1454 S1460 I1461 G1462 E1463 K1466 E1602 | W1454-Y1458 HydrophobicContact CB-CD2 4.22Å; W1454-Y1458 HydrophobicContact CB-CE2 4Å; W1454-Y1458 HydrophobicContact CE3-CE1 4.5Å; W1454-Y1458 AromaticContact CE3-CE2 3.9Å; W1454-Y1458 HydrophobicContact CE3-CE2 3.9Å; W1454-Y1458 AromaticContact CE3-CZ 3.78Å; W1454-Y1458 WeakPolarHBondContact O-CB 3.33Å; W1454-Y1458 WeakPolarHBondContact O-CD2 3.49Å; W1454-Y1458 PolarHBondContact O-N 2.82Å; Y1458-S1460 PolarHBondContact O-N 3.18Å; Y1458-I1461 HydrophobicContact CD1-CD1 4.16Å; Y1458-I1461 PolarHBondContact O-N 3.4Å; Y1458-G1462 PolarHBondContact O-N 3.04Å; Y1458-E1463 HydrophobicContact CD1-CB 3.95Å; Y1458-E1463 HydrophobicContact CD1-CG 4.48Å; Y1458-E1463 HydrophobicContact CG-CB 4.37Å; Y1458-E1463 PolarHBondContact O-N 2.95Å; Y1458-K1466 HydrophobicContact CD1-CB 4.2Å; Y1458-K1466 HydrophobicContact CD1-CD 3.96Å; Y1458-K1466 HydrophobicContact CD2-CB 3.49Å; Y1458-K1466 VanDerWaalsContact CD2-CB 3.49Å; Y1458-K1466 HydrophobicContact CD2-CD 4.29Å; Y1458-K1466 HydrophobicContact CE1-CD 3.78Å; Y1458-K1466 HydrophobicContact CE2-CB 3.95Å; Y1458-K1466 HydrophobicContact CE2-CD 4.08Å; Y1458-K1466 HydrophobicContact CG-CB 3.65Å; Y1458-K1466 HydrophobicContact CG-CD 4.24Å; Y1458-E1602 PolarHBondContact OH-OE1 2.88Å |
| 1459 | A | 87 | Confident | 82.9 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -25.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1455 F1457 W1464 C1467 Y1470 | S1455-A1459 VanDerWaalsContact O-CB 3.23Å; S1455-A1459 WeakPolarHBondContact O-CB 3.12Å; S1455-A1459 PolarHBondContact O-N 2.83Å; S1455-A1459 VanDerWaalsContact O-N 3.14Å; F1457-A1459 PolarHBondContact O-N 2.68Å; A1459-W1464 WeakPolarHBondContact O-CZ3 2.74Å; A1459-C1467 HydrophobicContact CB-CB 3.88Å; A1459-Y1470 HydrophobicContact CB-CD1 3.77Å; A1459-Y1470 HydrophobicContact CB-CE1 4.35Å |
| 1460 | S | 91.5 | Very high | 83.8 | Confident | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -87.5 | -27.9 | -177.9 | -54.8 | 0 | 0 | 0 | 0 | 113.1 | K1456 F1457 Y1458 T1477 I1478 | K1456-S1460 WeakPolarHBondContact O-CB 3.22Å; K1456-S1460 PolarHBondContact O-N 2.78Å; K1456-S1460 VanDerWaalsContact O-N 3.13Å; K1456-S1460 PolarHBondContact O-OG 2.98Å; F1457-S1460 WeakPolarHBondContact O-CA 3.01Å; F1457-S1460 WeakPolarHBondContact O-CB 3.36Å; F1457-S1460 PolarHBondContact O-N 2.94Å; Y1458-S1460 PolarHBondContact O-N 3.18Å; S1460-T1477 WeakPolarHBondContact OG-CA 3.39Å; S1460-T1477 WeakPolarHBondContact OG-CB 3.44Å; S1460-I1478 WeakPolarHBondContact CB-O 3.48Å; S1460-I1478 PolarHBondContact OG-N 3.49Å |
| 1461 | I | 88.7 | Confident | 83.7 | Confident | 55 Ų | 55 | 38.9 Ų | 38.9 | 28% | 0.282 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -93.5 | -4.1 | 172.2 | 64.2 | 173.2 | 0 | 0 | 0 | 114 | F1457 Y1458 E1463 V1480 | F1457-I1461 HydrophobicContact CD1-CD1 4.3Å; F1457-I1461 HydrophobicContact CE1-CD1 3.77Å; F1457-I1461 HydrophobicContact CE2-CG2 4.45Å; F1457-I1461 HydrophobicContact CZ-CD1 4.2Å; F1457-I1461 HydrophobicContact CZ-CG2 4.39Å; F1457-I1461 PolarHBondContact O-N 3.36Å; F1457-I1461 VanDerWaalsContact O-N 3.12Å; Y1458-I1461 HydrophobicContact CD1-CD1 4.16Å; Y1458-I1461 PolarHBondContact O-N 3.4Å; I1461-E1463 HydrophobicContact CD1-CG 4.06Å; I1461-E1463 WeakPolarHBondContact CD1-OE1 3.5Å; I1461-E1463 HydrophobicContact CG1-CB 4.39Å; I1461-E1463 HydrophobicContact CG1-CG 4.11Å; I1461-V1480 HydrophobicContact CG2-CB 4.11Å; I1461-V1480 HydrophobicContact CG2-CG1 3.98Å; I1461-V1480 HydrophobicContact CG2-CG2 3.79Å |
| 1462 | G | 81.6 | Confident | 83.6 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | 12.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y1458 W1464 | Y1458-G1462 PolarHBondContact O-N 3.04Å; G1462-W1464 VanDerWaalsContact C-N 3.25Å; G1462-W1464 VanDerWaalsContact O-CD1 3.23Å; G1462-W1464 PolarHBondContact O-N 3Å; G1462-W1464 PolarHBondContact O-NE1 2.71Å |
| 1463 | E | 81.5 | Confident | 83.3 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | trans | -81.3 | 70.1 | 173.9 | -69.9 | -173.7 | -143.2 | 0 | 0 | 110.2 | Y1458 I1461 D1465 K1466 | Y1458-E1463 HydrophobicContact CD1-CB 3.95Å; Y1458-E1463 HydrophobicContact CD1-CG 4.48Å; Y1458-E1463 HydrophobicContact CG-CB 4.37Å; Y1458-E1463 PolarHBondContact O-N 2.95Å; I1461-E1463 HydrophobicContact CD1-CG 4.06Å; I1461-E1463 WeakPolarHBondContact CD1-OE1 3.5Å; I1461-E1463 HydrophobicContact CG1-CB 4.39Å; I1461-E1463 HydrophobicContact CG1-CG 4.11Å; E1463-D1465 VanDerWaalsContact C-N 3.27Å; E1463-D1465 PolarHBondContact O-N 3.01Å; E1463-K1466 PolarHBondContact O-N 3.36Å; E1463-K1466 VanDerWaalsContact O-N 3.12Å; E1463-K1466 VanDerWaalsContact OE2-CD 3.29Å; E1463-K1466 WeakPolarHBondContact OE2-CD 3.45Å; E1463-K1466 WeakPolarHBondContact OE2-CE 3.29Å; E1463-K1466 IonicContact OE2-NZ 2.71Å; E1463-K1466 PolarHBondContact OE2-NZ 3.47Å | ||
| 1464 | W | 75.2 | Confident | 82.6 | Confident | 133 Ų | 133 | 44.6 Ų | 44.6 | 50% | 0.504 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -60.4 | -32.2 | -170 | -49.1 | 116.1 | 0 | 0 | 0 | 114.1 | A1459 G1462 K1466 C1467 K1471 | A1459-W1464 WeakPolarHBondContact O-CZ3 2.74Å; G1462-W1464 VanDerWaalsContact C-N 3.25Å; G1462-W1464 VanDerWaalsContact O-CD1 3.23Å; G1462-W1464 PolarHBondContact O-N 3Å; G1462-W1464 PolarHBondContact O-NE1 2.71Å; W1464-K1466 PolarHBondContact O-N 3.29Å; W1464-C1467 PolarHBondContact O-N 2.81Å; W1464-C1467 PolarHBondContact O-SG 2.88Å; W1464-K1471 HydrophobicContact CE3-CD 3.7Å; W1464-K1471 HydrophobicContact CH2-CD 4.28Å; W1464-K1471 HydrophobicContact CZ3-CD 3.57Å; W1464-K1471 VanDerWaalsContact CZ3-NZ 3.34Å |
| 1465 | D | 71.7 | Confident | 82.4 | Confident | 122 Ų | 122 | 45.1 Ų | 45.1 | 65% | 0.652 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -65.9 | -23.8 | 178.8 | 57.3 | -55.1 | 0 | 0 | 0 | 113.3 | E1463 | E1463-D1465 VanDerWaalsContact C-N 3.27Å; E1463-D1465 PolarHBondContact O-N 3.01Å |
| 1466 | K | 79.4 | Confident | 82.3 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -98.7 | -7 | 179.8 | -56.9 | -176.9 | -171.9 | 167.5 | 0 | 114.4 | Y1458 E1463 W1464 R1789 A1862 E1863 | Y1458-K1466 HydrophobicContact CD1-CB 4.2Å; Y1458-K1466 HydrophobicContact CD1-CD 3.96Å; Y1458-K1466 HydrophobicContact CD2-CB 3.49Å; Y1458-K1466 VanDerWaalsContact CD2-CB 3.49Å; Y1458-K1466 HydrophobicContact CD2-CD 4.29Å; Y1458-K1466 HydrophobicContact CE1-CD 3.78Å; Y1458-K1466 HydrophobicContact CE2-CB 3.95Å; Y1458-K1466 HydrophobicContact CE2-CD 4.08Å; Y1458-K1466 HydrophobicContact CG-CB 3.65Å; Y1458-K1466 HydrophobicContact CG-CD 4.24Å; E1463-K1466 PolarHBondContact O-N 3.36Å; E1463-K1466 VanDerWaalsContact O-N 3.12Å; E1463-K1466 VanDerWaalsContact OE2-CD 3.29Å; E1463-K1466 WeakPolarHBondContact OE2-CD 3.45Å; E1463-K1466 WeakPolarHBondContact OE2-CE 3.29Å; E1463-K1466 IonicContact OE2-NZ 2.71Å; E1463-K1466 PolarHBondContact OE2-NZ 3.47Å; W1464-K1466 PolarHBondContact O-N 3.29Å; K1466-R1789 PolarHBondContact O-NH1 2.91Å; K1466-R1789 PolarHBondContact O-NH2 3.21Å; K1466-A1862 WeakPolarHBondContact CA-O 3.28Å; K1466-E1863 HydrophobicContact CB-CG 4.41Å; K1466-E1863 HydrophobicContact CD-CG 4.11Å; K1466-E1863 HydrophobicContact CG-CG 4.08Å |
| 1467 | C | 78.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -88.6 | 0.2 | -171.6 | 83.5 | 0 | 0 | 0 | 0 | 115.1 | S1455 A1459 W1464 Y1470 | S1455-C1467 WeakPolarHBondContact CB-O 3.36Å; S1455-C1467 WeakPolarHBondContact O-CB 3.23Å; S1455-C1467 PolarHBondContact OG-O 3.02Å; A1459-C1467 HydrophobicContact CB-CB 3.88Å; W1464-C1467 PolarHBondContact O-N 2.81Å; W1464-C1467 PolarHBondContact O-SG 2.88Å; C1467-Y1470 WeakPolarHBondContact O-CB 3.15Å; C1467-Y1470 PolarHBondContact O-N 2.83Å |
| 1468 | L | 81.6 | Confident | 82.3 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -142.4 | -172.6 | -59.5 | 173.5 | 0 | 0 | 0 | 110.8 | K1450 I1451 Y1470 A1862 | K1450-L1468 HydrophobicContact CB-CD1 4Å; K1450-L1468 WeakPolarHBondContact O-CD1 3.32Å; I1451-L1468 HydrophobicContact CG1-CD1 4.44Å; L1468-Y1470 VanDerWaalsContact C-N 3.27Å; L1468-Y1470 PolarHBondContact O-N 3.05Å; L1468-A1862 HydrophobicContact CD1-CB 4.17Å; L1468-A1862 HydrophobicContact CD2-CB 3.76Å; L1468-A1862 HydrophobicContact CG-CB 4.04Å |
| 1469 | K | 78.8 | Confident | 82.4 | Confident | 100 Ų | 100 | 50.5 Ų | 50.5 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 13.2 | 178.1 | -62.3 | -172.9 | 174.5 | -179.5 | 0 | 114 | K1471 E1472 F1473 | K1469-K1471 VanDerWaalsContact C-N 3.3Å; K1469-K1471 PolarHBondContact O-N 2.97Å; K1469-E1472 HydrophobicContact CB-CB 4.31Å; K1469-E1472 HydrophobicContact CB-CG 4.44Å; K1469-E1472 WeakPolarHBondContact CD-OE2 3.49Å; K1469-E1472 WeakPolarHBondContact CG-OE2 3.34Å; K1469-E1472 WeakPolarHBondContact O-CB 3.4Å; K1469-E1472 PolarHBondContact O-N 3.41Å; K1469-F1473 HydrophobicContact CB-CD2 4.27Å; K1469-F1473 HydrophobicContact CB-CE2 3.91Å; K1469-F1473 HydrophobicContact CB-CZ 4.24Å; K1469-F1473 HydrophobicContact CD-CZ 4.47Å; K1469-F1473 WeakPolarHBondContact O-CD2 3.29Å; K1469-F1473 PolarHBondContact O-N 3.23Å; K1469-F1473 VanDerWaalsContact O-N 3.12Å |
| 1470 | Y | 83.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -45.7 | -175.3 | -169.8 | -84.2 | 0 | 0 | 0 | 112.4 | I1451 K1456 A1459 C1467 L1468 Y1475 D1476 P1665 N1666 | I1451-Y1470 HydrophobicContact CG2-CD2 3.6Å; I1451-Y1470 HydrophobicContact CG2-CE2 4.2Å; K1456-Y1470 HydrophobicContact CB-CE1 4.23Å; K1456-Y1470 HydrophobicContact CB-CE2 3.74Å; K1456-Y1470 HydrophobicContact CG-CE1 4.3Å; K1456-Y1470 HydrophobicContact CG-CE2 4.38Å; K1456-Y1470 VanDerWaalsContact CG-OH 3.3Å; K1456-Y1470 WeakPolarHBondContact CG-OH 3.33Å; A1459-Y1470 HydrophobicContact CB-CD1 3.77Å; A1459-Y1470 HydrophobicContact CB-CE1 4.35Å; C1467-Y1470 WeakPolarHBondContact O-CB 3.15Å; C1467-Y1470 PolarHBondContact O-N 2.83Å; L1468-Y1470 VanDerWaalsContact C-N 3.27Å; L1468-Y1470 PolarHBondContact O-N 3.05Å; Y1470-Y1475 AromaticContact CD2-CD2 3.83Å; Y1470-Y1475 HydrophobicContact CD2-CD2 3.83Å; Y1470-Y1475 VanDerWaalsContact CE1-CB 3.46Å; Y1470-Y1475 AromaticContact CE2-CD2 3.74Å; Y1470-Y1475 HydrophobicContact CE2-CD2 3.74Å; Y1470-Y1475 HydrophobicContact CE2-CG 4.31Å; Y1470-Y1475 HydrophobicContact CG-CD2 4.36Å; Y1470-Y1475 PolarHBondContact O-N 3.1Å; Y1470-D1476 VanDerWaalsContact CE1-O 3.23Å; Y1470-D1476 WeakPolarHBondContact CE1-O 3.41Å; Y1470-D1476 PolarHBondContact OH-O 3.37Å; Y1470-P1665 HydrophobicContact CE2-CB 4.29Å; Y1470-P1665 HydrophobicContact CE2-CG 3.9Å; Y1470-N1666 PolarHBondContact OH-ND2 3.39Å; Y1470-N1666 PolarHBondContact OH-OD1 3.43Å; Y1470-N1666 VanDerWaalsContact OH-OD1 3.08Å |
| 1471 | K | 72.5 | Confident | 82.7 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -35.8 | 176.6 | -166.4 | 176.9 | -167.9 | 170.4 | 0 | 113 | W1464 K1469 F1473 G1474 | W1464-K1471 HydrophobicContact CE3-CD 3.7Å; W1464-K1471 HydrophobicContact CH2-CD 4.28Å; W1464-K1471 HydrophobicContact CZ3-CD 3.57Å; W1464-K1471 VanDerWaalsContact CZ3-NZ 3.34Å; K1469-K1471 VanDerWaalsContact C-N 3.3Å; K1469-K1471 PolarHBondContact O-N 2.97Å; K1471-F1473 VanDerWaalsContact C-N 3.27Å; K1471-F1473 PolarHBondContact O-N 2.96Å; K1471-G1474 PolarHBondContact O-N 2.88Å |
| 1472 | E | 77.1 | Confident | 82.7 | Confident | 135 Ų | 135 | 55.3 Ų | 55.3 | 63% | 0.631 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -33.6 | 178.4 | -59.4 | -174.6 | 169.5 | 0 | 0 | 112.2 | K1469 G1474 | K1469-E1472 HydrophobicContact CB-CB 4.31Å; K1469-E1472 HydrophobicContact CB-CG 4.44Å; K1469-E1472 WeakPolarHBondContact CD-OE2 3.49Å; K1469-E1472 WeakPolarHBondContact CG-OE2 3.34Å; K1469-E1472 WeakPolarHBondContact O-CB 3.4Å; K1469-E1472 PolarHBondContact O-N 3.41Å; E1472-G1474 VanDerWaalsContact C-N 3.28Å; E1472-G1474 PolarHBondContact O-N 2.99Å |
| 1473 | F | 78.6 | Confident | 83.1 | Confident | 25 Ų | 25 | 57 Ų | 57 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -3.5 | 175.7 | -61.8 | -40.1 | 0 | 0 | 0 | 114.2 | M1442 I1451 K1469 K1471 Y1475 V1721 | M1442-F1473 HydrophobicContact CE-CD1 3.82Å; M1442-F1473 HydrophobicContact CE-CE1 3.51Å; M1442-F1473 HydrophobicContact CE-CZ 4.01Å; M1442-F1473 HydrophobicContact SD-CD1 4.12Å; M1442-F1473 HydrophobicContact SD-CE1 3.84Å; I1451-F1473 HydrophobicContact CD1-CD2 3.57Å; I1451-F1473 HydrophobicContact CD1-CE2 3.54Å; K1469-F1473 HydrophobicContact CB-CD2 4.27Å; K1469-F1473 HydrophobicContact CB-CE2 3.91Å; K1469-F1473 HydrophobicContact CB-CZ 4.24Å; K1469-F1473 HydrophobicContact CD-CZ 4.47Å; K1469-F1473 WeakPolarHBondContact O-CD2 3.29Å; K1469-F1473 PolarHBondContact O-N 3.23Å; K1469-F1473 VanDerWaalsContact O-N 3.12Å; K1471-F1473 VanDerWaalsContact C-N 3.27Å; K1471-F1473 PolarHBondContact O-N 2.96Å; F1473-Y1475 HydrophobicContact CB-CD1 3.85Å; F1473-Y1475 HydrophobicContact CB-CD2 4.39Å; F1473-Y1475 HydrophobicContact CB-CE1 3.65Å; F1473-Y1475 HydrophobicContact CB-CE2 4.23Å; F1473-Y1475 HydrophobicContact CB-CG 4.23Å; F1473-Y1475 HydrophobicContact CD2-CE2 4.22Å; F1473-V1721 WeakPolarHBondContact O-CG1 2.92Å |
| 1474 | G | 75.1 | Confident | 83.7 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 36.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1471 E1472 | K1471-G1474 PolarHBondContact O-N 2.88Å; E1472-G1474 VanDerWaalsContact C-N 3.28Å; E1472-G1474 PolarHBondContact O-N 2.99Å |
| 1475 | Y | 86.7 | Confident | 84.7 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 152.9 | 177.7 | -68.2 | -8.3 | 0 | 0 | 0 | 112.4 | I1451 Y1470 F1473 P1665 N1723 H1725 | I1451-Y1475 HydrophobicContact CD1-CE2 4.42Å; I1451-Y1475 HydrophobicContact CG2-CE2 4.44Å; Y1470-Y1475 AromaticContact CD2-CD2 3.83Å; Y1470-Y1475 HydrophobicContact CD2-CD2 3.83Å; Y1470-Y1475 VanDerWaalsContact CE1-CB 3.46Å; Y1470-Y1475 AromaticContact CE2-CD2 3.74Å; Y1470-Y1475 HydrophobicContact CE2-CD2 3.74Å; Y1470-Y1475 HydrophobicContact CE2-CG 4.31Å; Y1470-Y1475 HydrophobicContact CG-CD2 4.36Å; Y1470-Y1475 PolarHBondContact O-N 3.1Å; F1473-Y1475 HydrophobicContact CB-CD1 3.85Å; F1473-Y1475 HydrophobicContact CB-CD2 4.39Å; F1473-Y1475 HydrophobicContact CB-CE1 3.65Å; F1473-Y1475 HydrophobicContact CB-CE2 4.23Å; F1473-Y1475 HydrophobicContact CB-CG 4.23Å; F1473-Y1475 HydrophobicContact CD2-CE2 4.22Å; Y1475-P1665 HydrophobicContact CD2-CG 4.38Å; Y1475-N1723 HydrophobicContact CE1-CB 4.23Å; Y1475-H1725 AromaticContact CZ-CD2 3.87Å; Y1475-H1725 PolarHBondContact OH-CD2 2.92Å; Y1475-H1725 PolarHBondContact OH-NE2 3.04Å |
| 1476 | D | 86.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -60 | 143.8 | -173.9 | -53.4 | -9.1 | 0 | 0 | 0 | 114.1 | Y1470 Q1658 S1659 | Y1470-D1476 VanDerWaalsContact CE1-O 3.23Å; Y1470-D1476 WeakPolarHBondContact CE1-O 3.41Å; Y1470-D1476 PolarHBondContact OH-O 3.37Å; D1476-Q1658 HydrophobicContact CB-CB 4.02Å; D1476-Q1658 HydrophobicContact CB-CG 4.12Å; D1476-Q1658 PolarHBondContact OD2-N 3.01Å; D1476-S1659 VanDerWaalsContact OD1-CB 3.26Å; D1476-S1659 WeakPolarHBondContact OD1-CB 3.47Å; D1476-S1659 PolarHBondContact OD1-OG 2.96Å; D1476-S1659 WeakPolarHBondContact OD2-CA 3.26Å; D1476-S1659 VanDerWaalsContact OD2-CB 3.23Å; D1476-S1659 WeakPolarHBondContact OD2-CB 3.37Å; D1476-S1659 PolarHBondContact OD2-N 2.92Å; D1476-S1659 PolarHBondContact OD2-OG 3.2Å |
| 1477 | T | 89.8 | Confident | 86.2 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 161.1 | 169.4 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | S1460 Q1658 | S1460-T1477 WeakPolarHBondContact OG-CA 3.39Å; S1460-T1477 WeakPolarHBondContact OG-CB 3.44Å; T1477-Q1658 PolarHBondContact O-NE2 2.8Å; T1477-Q1658 PolarHBondContact OG1-NE2 2.84Å |
| 1478 | I | 92 | Very high | 86.6 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 153.9 | 174 | 68.2 | -163.4 | 0 | 0 | 0 | 111.3 | W1453 K1456 F1457 S1460 V1480 E1746 V1748 | W1453-I1478 HydrophobicContact CZ2-CD1 4.21Å; K1456-I1478 HydrophobicContact CD-CG2 3.98Å; K1456-I1478 HydrophobicContact CG-CG2 4.18Å; F1457-I1478 HydrophobicContact CD2-CD1 4.18Å; S1460-I1478 WeakPolarHBondContact CB-O 3.48Å; S1460-I1478 PolarHBondContact OG-N 3.49Å; I1478-V1480 HydrophobicContact CD1-CG2 4.47Å; I1478-V1480 HydrophobicContact CG1-CG2 3.92Å; I1478-V1480 PolarHBondContact O-N 2.88Å; I1478-E1746 HydrophobicContact CB-CG 4.46Å; I1478-E1746 HydrophobicContact CG2-CB 4.41Å; I1478-E1746 HydrophobicContact CG2-CG 3.72Å; I1478-V1748 HydrophobicContact CD1-CG2 3.63Å; I1478-V1748 HydrophobicContact CG1-CG2 4.44Å |
| 1479 | C | 93.2 | Very high | 86.5 | Confident | 41 Ų | 41 | 55.8 Ų | 55.8 | 28% | 0.277 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 113 | 173.1 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | Y1481 E1746 H1747 V1748 | C1479-Y1481 HydrophobicContact CB-CE2 3.94Å; C1479-E1746 PolarHBondContact N-O 2.92Å; C1479-H1747 HydrophobicContact CB-CB 4.2Å; C1479-H1747 CarbonylContact O-C 3.16Å; C1479-H1747 WeakPolarHBondContact O-CA 3.22Å; C1479-H1747 WeakPolarHBondContact O-CB 3.35Å; C1479-V1748 PolarHBondContact O-N 3.1Å |
| 1480 | V | 92.2 | Very high | 86.4 | Confident | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 106.3 | 177.3 | -175 | 0 | 0 | 0 | 0 | 109.5 | I1461 I1478 V1748 | I1461-V1480 HydrophobicContact CG2-CB 4.11Å; I1461-V1480 HydrophobicContact CG2-CG1 3.98Å; I1461-V1480 HydrophobicContact CG2-CG2 3.79Å; I1478-V1480 HydrophobicContact CD1-CG2 4.47Å; I1478-V1480 HydrophobicContact CG1-CG2 3.92Å; I1478-V1480 PolarHBondContact O-N 2.88Å; V1480-V1748 HydrophobicContact CG1-CB 4.32Å; V1480-V1748 HydrophobicContact CG1-CG1 4.46Å; V1480-V1748 HydrophobicContact CG2-CB 4.33Å |
| 1481 | Y | 92.8 | Very high | 86.5 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 16% | 0.161 | 30% | 0.297 | C | S | . | . | trans | -87.9 | 137 | 178.9 | -58.9 | -72.1 | 0 | 0 | 0 | 110.9 | C1479 H1483 L1485 V1488 H1747 V1748 T1750 | C1479-Y1481 HydrophobicContact CB-CE2 3.94Å; Y1481-H1483 PolarHBondContact O-N 3.07Å; Y1481-L1485 HydrophobicContact CD2-CD1 3.83Å; Y1481-L1485 HydrophobicContact CE2-CD1 3.59Å; Y1481-V1488 HydrophobicContact CD1-CG2 3.6Å; Y1481-V1488 HydrophobicContact CD2-CG2 4.22Å; Y1481-V1488 HydrophobicContact CE1-CB 4.44Å; Y1481-V1488 HydrophobicContact CE1-CG1 3.85Å; Y1481-V1488 HydrophobicContact CE1-CG2 3.6Å; Y1481-V1488 HydrophobicContact CE2-CG2 4.22Å; Y1481-V1488 HydrophobicContact CG-CG2 3.92Å; Y1481-H1747 HydrophobicContact CD2-CB 3.95Å; Y1481-H1747 HydrophobicContact CE2-CB 3.62Å; Y1481-V1748 PolarHBondContact N-O 3.42Å; Y1481-T1750 WeakPolarHBondContact O-CB 3.42Å; Y1481-T1750 PolarHBondContact O-N 3.47Å; Y1481-T1750 VanDerWaalsContact O-N 3.16Å; Y1481-T1750 PolarHBondContact O-OG1 2.95Å | ||
| 1482 | S | 88.2 | Confident | 86.8 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 71% | 0.706 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -83.9 | 5.1 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1483 | H | 90.4 | Very high | 87.2 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -146.5 | 173.2 | -175.9 | 55.7 | 77.5 | 0 | 0 | 0 | 109.7 | Y1481 T1750 | Y1481-H1483 PolarHBondContact O-N 3.07Å; H1483-T1750 CarbonylContact C-O 3.51Å; H1483-T1750 WeakPolarHBondContact CA-O 3.2Å; H1483-T1750 PolarHBondContact O-N 2.78Å |
| 1484 | P | 94.1 | Very high | 87.8 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 13% | 0.13 | 28% | 0.281 | C | S | . | . | trans | -50.9 | 146.8 | 171.2 | -32.5 | 40 | 0 | 0 | 0 | 113.9 | E1486 D1487 | P1484-E1486 VanDerWaalsContact C-N 3.33Å; P1484-E1486 HydrophobicContact CB-CG 4.07Å; P1484-E1486 PolarHBondContact O-N 2.89Å; P1484-D1487 WeakPolarHBondContact CB-OD2 3.28Å; P1484-D1487 WeakPolarHBondContact CD-OD2 3.1Å; P1484-D1487 WeakPolarHBondContact CG-OD2 3.17Å; P1484-D1487 PolarHBondContact O-N 2.89Å | ||
| 1485 | L | 94.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -63.7 | -37 | -179.3 | -173.4 | 73.5 | 0 | 0 | 0 | 112.8 | Y1481 D1487 V1488 F1491 F1494 A1652 V1744 E1749 | Y1481-L1485 HydrophobicContact CD2-CD1 3.83Å; Y1481-L1485 HydrophobicContact CE2-CD1 3.59Å; L1485-D1487 PolarHBondContact O-N 3.35Å; L1485-V1488 HydrophobicContact CD1-CG2 4.41Å; L1485-V1488 WeakPolarHBondContact O-CB 3.5Å; L1485-V1488 VanDerWaalsContact O-CG2 3.23Å; L1485-V1488 WeakPolarHBondContact O-CG2 3.33Å; L1485-V1488 PolarHBondContact O-N 3.36Å; L1485-F1491 HydrophobicContact CD1-CE2 4.39Å; L1485-F1494 HydrophobicContact CB-CE2 4.29Å; L1485-F1494 HydrophobicContact CD2-CE2 3.86Å; L1485-F1494 HydrophobicContact CD2-CZ 3.78Å; L1485-F1494 HydrophobicContact CG-CE2 3.92Å; L1485-F1494 HydrophobicContact CG-CZ 3.78Å; L1485-A1652 HydrophobicContact CD2-CB 4.3Å; L1485-V1744 HydrophobicContact CD1-CG1 4.41Å; L1485-V1744 HydrophobicContact CD2-CG1 4.11Å; L1485-V1744 HydrophobicContact CD2-CG2 4.49Å; L1485-E1749 HydrophobicContact CB-CB 4.27Å; L1485-E1749 PolarHBondContact N-OE2 3.14Å |
| 1486 | E | 92.2 | Very high | 88.3 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -62.6 | -25 | 177.5 | 50.6 | -91.8 | -153.8 | 0 | 0 | 113.8 | P1484 V1488 G1493 F1494 R1645 R1751 | P1484-E1486 VanDerWaalsContact C-N 3.33Å; P1484-E1486 HydrophobicContact CB-CG 4.07Å; P1484-E1486 PolarHBondContact O-N 2.89Å; E1486-V1488 VanDerWaalsContact C-N 3.34Å; E1486-G1493 VanDerWaalsContact O-CA 3.22Å; E1486-G1493 WeakPolarHBondContact O-CA 3.2Å; E1486-G1493 PolarHBondContact O-N 2.92Å; E1486-G1493 VanDerWaalsContact O-N 3.09Å; E1486-F1494 HydrophobicContact CB-CD2 3.67Å; E1486-F1494 HydrophobicContact CB-CE2 3.94Å; E1486-R1645 IonicContact OE2-CZ 3.21Å; E1486-R1645 IonicContact OE2-NE 2.73Å; E1486-R1645 IonicContact OE2-NH2 2.85Å; E1486-R1645 PolarHBondContact OE2-NH2 2.81Å; E1486-R1751 IonicContact OE1-CZ 3.43Å; E1486-R1751 VanDerWaalsContact OE1-CZ 3.23Å; E1486-R1751 IonicContact OE1-NH1 3.9Å; E1486-R1751 PolarHBondContact OE1-NH1 3.44Å; E1486-R1751 IonicContact OE1-NH2 3.1Å; E1486-R1751 PolarHBondContact OE1-NH2 2.68Å; E1486-R1751 IonicContact OE2-NH1 3.98Å; E1486-R1751 PolarHBondContact OE2-NH1 2.83Å |
| 1487 | D | 90.7 | Very high | 88.3 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -87 | -0.1 | -179.3 | -61.5 | -28 | 0 | 0 | 0 | 113.3 | P1484 L1485 E1489 | P1484-D1487 WeakPolarHBondContact CB-OD2 3.28Å; P1484-D1487 WeakPolarHBondContact CD-OD2 3.1Å; P1484-D1487 WeakPolarHBondContact CG-OD2 3.17Å; P1484-D1487 PolarHBondContact O-N 2.89Å; L1485-D1487 PolarHBondContact O-N 3.35Å; D1487-E1489 PolarHBondContact O-N 3.05Å |
| 1488 | V | 87.5 | Confident | 88.2 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 11% | 0.109 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -66.3 | 129.5 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | Y1481 L1485 E1486 G1490 F1491 | Y1481-V1488 HydrophobicContact CD1-CG2 3.6Å; Y1481-V1488 HydrophobicContact CD2-CG2 4.22Å; Y1481-V1488 HydrophobicContact CE1-CB 4.44Å; Y1481-V1488 HydrophobicContact CE1-CG1 3.85Å; Y1481-V1488 HydrophobicContact CE1-CG2 3.6Å; Y1481-V1488 HydrophobicContact CE2-CG2 4.22Å; Y1481-V1488 HydrophobicContact CG-CG2 3.92Å; L1485-V1488 HydrophobicContact CD1-CG2 4.41Å; L1485-V1488 WeakPolarHBondContact O-CB 3.5Å; L1485-V1488 VanDerWaalsContact O-CG2 3.23Å; L1485-V1488 WeakPolarHBondContact O-CG2 3.33Å; L1485-V1488 PolarHBondContact O-N 3.36Å; E1486-V1488 VanDerWaalsContact C-N 3.34Å; V1488-G1490 PolarHBondContact O-N 2.87Å; V1488-F1491 HydrophobicContact CB-CD2 3.61Å; V1488-F1491 HydrophobicContact CB-CE2 3.98Å; V1488-F1491 HydrophobicContact CB-CG 4.36Å; V1488-F1491 HydrophobicContact CG1-CD2 3.96Å; V1488-F1491 HydrophobicContact CG1-CE2 3.92Å; V1488-F1491 HydrophobicContact CG2-CD2 4.28Å; V1488-F1491 HydrophobicContact CG2-CE2 4.39Å; V1488-F1491 WeakPolarHBondContact O-CB 3.43Å; V1488-F1491 PolarHBondContact O-N 2.83Å |
| 1489 | E | 78.7 | Confident | 88.1 | Confident | 198 Ų | 198 | 48.6 Ų | 48.6 | 93% | 0.925 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 128.4 | 178.2 | -167 | 179 | 179.9 | 0 | 0 | 111.5 | D1487 | D1487-E1489 PolarHBondContact O-N 3.05Š|
| 1490 | G | 76.9 | Confident | 88 | Confident | 41 Ų | 41 | 49 Ų | 49 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -19.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1488 Y1650 | V1488-G1490 PolarHBondContact O-N 2.87Å; G1490-Y1650 PolarHBondContact O-OH 2.84Å |
| 1491 | F | 85.4 | Confident | 88 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -89.1 | -11.3 | 177.4 | -65.7 | -19.1 | 0 | 0 | 0 | 114.6 | L1485 V1488 G1493 F1494 Y1650 V1744 | L1485-F1491 HydrophobicContact CD1-CE2 4.39Å; V1488-F1491 HydrophobicContact CB-CD2 3.61Å; V1488-F1491 HydrophobicContact CB-CE2 3.98Å; V1488-F1491 HydrophobicContact CB-CG 4.36Å; V1488-F1491 HydrophobicContact CG1-CD2 3.96Å; V1488-F1491 HydrophobicContact CG1-CE2 3.92Å; V1488-F1491 HydrophobicContact CG2-CD2 4.28Å; V1488-F1491 HydrophobicContact CG2-CE2 4.39Å; V1488-F1491 WeakPolarHBondContact O-CB 3.43Å; V1488-F1491 PolarHBondContact O-N 2.83Å; F1491-G1493 VanDerWaalsContact C-N 3.31Å; F1491-G1493 PolarHBondContact O-N 3.38Å; F1491-F1494 HydrophobicContact CB-CD1 4.09Å; F1491-F1494 HydrophobicContact CB-CE1 3.61Å; F1491-F1494 HydrophobicContact CB-CZ 4.2Å; F1491-F1494 HydrophobicContact CD1-CE1 4.44Å; F1491-F1494 AromaticContact CD2-CE1 3.77Å; F1491-F1494 HydrophobicContact CD2-CE1 3.77Å; F1491-F1494 AromaticContact CD2-CZ 3.77Å; F1491-F1494 HydrophobicContact CD2-CZ 3.77Å; F1491-F1494 AromaticContact CG-CE1 3.7Å; F1491-F1494 HydrophobicContact CG-CE1 3.7Å; F1491-F1494 HydrophobicContact CG-CZ 4.18Å; F1491-F1494 PolarHBondContact O-N 3.36Å; F1491-Y1650 HydrophobicContact CB-CD2 4.22Å; F1491-Y1650 HydrophobicContact CB-CE2 4.48Å; F1491-Y1650 HydrophobicContact CD1-CD1 4.29Å; F1491-Y1650 HydrophobicContact CD1-CD2 4.05Å; F1491-Y1650 AromaticContact CD1-CG 3.89Å; F1491-Y1650 HydrophobicContact CD1-CG 3.89Å; F1491-Y1650 HydrophobicContact CE1-CG 4.46Å; F1491-Y1650 HydrophobicContact CG-CD2 4.45Å; F1491-Y1650 VanDerWaalsContact O-CE2 3.27Å; F1491-Y1650 WeakPolarHBondContact O-CE2 3.26Å; F1491-V1744 HydrophobicContact CD2-CG2 4.29Å; F1491-V1744 HydrophobicContact CE1-CG2 4.3Å; F1491-V1744 HydrophobicContact CE2-CG2 3.74Å; F1491-V1744 HydrophobicContact CZ-CB 4.49Å; F1491-V1744 HydrophobicContact CZ-CG2 3.75Å |
| 1492 | N | 80.2 | Confident | 87.9 | Confident | 103 Ų | 103 | 49.3 Ų | 49.3 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | 51.5 | 42.9 | 168.6 | -53.5 | -21.6 | 0 | 0 | 0 | 114.1 | F1494 T1495 | N1492-F1494 PolarHBondContact O-N 3Å; N1492-F1494 VanDerWaalsContact O-N 3.15Å; N1492-T1495 PolarHBondContact O-N 3.47Å; N1492-T1495 PolarHBondContact O-OG1 3.29Å |
| 1493 | G | 86 | Confident | 87.9 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 32% | 0.32 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | 67.3 | 11.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1486 F1491 T1495 | E1486-G1493 VanDerWaalsContact O-CA 3.22Å; E1486-G1493 WeakPolarHBondContact O-CA 3.2Å; E1486-G1493 PolarHBondContact O-N 2.92Å; E1486-G1493 VanDerWaalsContact O-N 3.09Å; F1491-G1493 VanDerWaalsContact C-N 3.31Å; F1491-G1493 PolarHBondContact O-N 3.38Å; G1493-T1495 PolarHBondContact O-N 2.93Å |
| 1494 | F | 90.9 | Very high | 87.5 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | 54 | 30.1 | -167.8 | -58 | -47.8 | 0 | 0 | 0 | 114 | L1485 E1486 F1491 N1492 N1644 R1645 T1648 Y1650 A1652 V1744 | L1485-F1494 HydrophobicContact CB-CE2 4.29Å; L1485-F1494 HydrophobicContact CD2-CE2 3.86Å; L1485-F1494 HydrophobicContact CD2-CZ 3.78Å; L1485-F1494 HydrophobicContact CG-CE2 3.92Å; L1485-F1494 HydrophobicContact CG-CZ 3.78Å; E1486-F1494 HydrophobicContact CB-CD2 3.67Å; E1486-F1494 HydrophobicContact CB-CE2 3.94Å; F1491-F1494 HydrophobicContact CB-CD1 4.09Å; F1491-F1494 HydrophobicContact CB-CE1 3.61Å; F1491-F1494 HydrophobicContact CB-CZ 4.2Å; F1491-F1494 HydrophobicContact CD1-CE1 4.44Å; F1491-F1494 AromaticContact CD2-CE1 3.77Å; F1491-F1494 HydrophobicContact CD2-CE1 3.77Å; F1491-F1494 AromaticContact CD2-CZ 3.77Å; F1491-F1494 HydrophobicContact CD2-CZ 3.77Å; F1491-F1494 AromaticContact CG-CE1 3.7Å; F1491-F1494 HydrophobicContact CG-CE1 3.7Å; F1491-F1494 HydrophobicContact CG-CZ 4.18Å; F1491-F1494 PolarHBondContact O-N 3.36Å; N1492-F1494 PolarHBondContact O-N 3Å; N1492-F1494 VanDerWaalsContact O-N 3.15Å; F1494-N1644 HydrophobicContact CB-CB 4.12Å; F1494-R1645 HydrophobicContact CD2-CG 3.95Å; F1494-R1645 HydrophobicContact CE2-CG 4.19Å; F1494-T1648 HydrophobicContact CB-CG2 4.24Å; F1494-T1648 HydrophobicContact CD1-CG2 3.62Å; F1494-T1648 HydrophobicContact CE1-CG2 4.18Å; F1494-T1648 HydrophobicContact CG-CG2 4.03Å; F1494-Y1650 HydrophobicContact CD1-CD2 4.09Å; F1494-Y1650 HydrophobicContact CE1-CD2 4.33Å; F1494-A1652 HydrophobicContact CD1-CB 4.3Å; F1494-A1652 HydrophobicContact CD2-CB 4.32Å; F1494-A1652 HydrophobicContact CE1-CB 3.81Å; F1494-A1652 HydrophobicContact CE2-CB 3.85Å; F1494-A1652 HydrophobicContact CZ-CB 3.58Å; F1494-V1744 HydrophobicContact CE1-CG2 4.1Å; F1494-V1744 HydrophobicContact CZ-CG2 4.06Å |
| 1495 | T | 86.5 | Confident | 86.6 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | trans | -94.3 | 10.3 | 178.9 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | N1492 G1493 F1497 C1498 | N1492-T1495 PolarHBondContact O-N 3.47Å; N1492-T1495 PolarHBondContact O-OG1 3.29Å; G1493-T1495 PolarHBondContact O-N 2.93Å; T1495-F1497 PolarHBondContact O-N 3.36Å; T1495-C1498 CarbonylContact O-C 3.58Å; T1495-C1498 PolarHBondContact O-N 3.39Å | ||
| 1496 | D | 84.6 | Confident | 84.9 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 17% | 0.166 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -66.6 | -31.3 | -173.8 | 61.4 | -74.4 | 0 | 0 | 0 | 114.1 | T1648 K1649 Y1650 | D1496-T1648 WeakPolarHBondContact OD1-CA 3.41Å; D1496-T1648 WeakPolarHBondContact OD1-CB 3.39Å; D1496-T1648 PolarHBondContact OD1-OG1 2.84Å; D1496-K1649 HydrophobicContact CB-CD 4.34Å; D1496-K1649 WeakPolarHBondContact OD2-CB 3.27Å; D1496-K1649 WeakPolarHBondContact OD2-CD 3.47Å; D1496-K1649 WeakPolarHBondContact OD2-CG 3.46Å; D1496-K1649 PolarHBondContact OD2-N 3.12Å; D1496-Y1650 HydrophobicContact CB-CE2 4.26Å |
| 1497 | F | 87.5 | Confident | 83.2 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -78.7 | -52.7 | 173.5 | 178.2 | -95.8 | 0 | 0 | 0 | 111.6 | L1299 W1301 T1495 T1523 L1545 V1547 L1647 | L1299-F1497 HydrophobicContact CD2-CD1 4.42Å; L1299-F1497 HydrophobicContact CD2-CE1 3.99Å; L1299-F1497 HydrophobicContact CD2-CE2 4.31Å; L1299-F1497 HydrophobicContact CD2-CZ 3.93Å; W1301-F1497 AromaticContact CD2-CE1 3.85Å; W1301-F1497 HydrophobicContact CD2-CE1 3.85Å; W1301-F1497 HydrophobicContact CD2-CZ 4.29Å; W1301-F1497 AromaticContact CE2-CE1 3.9Å; W1301-F1497 HydrophobicContact CE3-CE1 4.03Å; W1301-F1497 HydrophobicContact CE3-CZ 4.02Å; W1301-F1497 HydrophobicContact CG-CE1 4.3Å; W1301-F1497 HydrophobicContact CH2-CE1 4.29Å; W1301-F1497 AromaticContact CH2-CZ 3.99Å; W1301-F1497 HydrophobicContact CH2-CZ 3.99Å; W1301-F1497 HydrophobicContact CZ2-CE1 4.14Å; W1301-F1497 HydrophobicContact CZ2-CZ 4.28Å; W1301-F1497 HydrophobicContact CZ3-CE1 4.26Å; W1301-F1497 AromaticContact CZ3-CZ 3.87Å; W1301-F1497 HydrophobicContact CZ3-CZ 3.87Å; T1495-F1497 PolarHBondContact O-N 3.36Å; F1497-T1523 VanDerWaalsContact O-CG2 3.25Å; F1497-T1523 WeakPolarHBondContact O-CG2 3.32Å; F1497-L1545 HydrophobicContact CE2-CD2 4.42Å; F1497-V1547 HydrophobicContact CE2-CG2 4.41Å; F1497-L1647 HydrophobicContact CB-CB 4.15Å; F1497-L1647 HydrophobicContact CD1-CB 3.96Å; F1497-L1647 HydrophobicContact CD1-CD1 3.7Å; F1497-L1647 HydrophobicContact CD1-CG 4.28Å; F1497-L1647 HydrophobicContact CE1-CD1 3.82Å; F1497-L1647 HydrophobicContact CE1-CD2 4.38Å; F1497-L1647 HydrophobicContact CG-CB 4.05Å |
| 1498 | C | 87.2 | Confident | 81.3 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | trans | -152 | 153 | 173.3 | 68.3 | 0 | 0 | 0 | 0 | 112 | L1299 T1495 T1523 | L1299-C1498 HydrophobicContact CD2-CB 4.48Å; T1495-C1498 CarbonylContact O-C 3.58Å; T1495-C1498 PolarHBondContact O-N 3.39Å; C1498-T1523 HydrophobicContact CB-CG2 4.46Å | ||
| 1499 | N | 90.2 | Very high | 79.3 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 160.8 | 174.2 | -52.9 | 90.4 | 0 | 0 | 0 | 110.5 | F1390 F1501 K1521 G1522 T1523 | F1390-N1499 WeakPolarHBondContact CE1-OD1 3.41Å; N1499-F1501 HydrophobicContact CB-CE2 3.87Å; N1499-F1501 HydrophobicContact CB-CZ 3.87Å; N1499-K1521 WeakPolarHBondContact O-CA 3.34Å; N1499-G1522 CarbonylContact C-O 3.58Å; N1499-G1522 WeakPolarHBondContact CA-O 3.45Å; N1499-G1522 PolarHBondContact N-O 3.42Å; N1499-G1522 PolarHBondContact O-N 2.6Å; N1499-G1522 VanDerWaalsContact O-O 3.04Å; N1499-T1523 VanDerWaalsContact OD1-CB 3.28Å; N1499-T1523 WeakPolarHBondContact OD1-CB 3.36Å; N1499-T1523 PolarHBondContact OD1-OG1 3.15Å |
| 1500 | T | 90.6 | Very high | 77.9 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.6 | 170.4 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | E1519 K1521 | T1500-E1519 HydrophobicContact CG2-CB 3.96Å; T1500-E1519 HydrophobicContact CG2-CG 3.61Å; T1500-K1521 HydrophobicContact CG2-CG 4.4Å; T1500-K1521 VanDerWaalsContact OG1-CE 3.3Å; T1500-K1521 WeakPolarHBondContact OG1-CE 3.43Å |
| 1501 | F | 92 | Very high | 76.6 | Confident | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.2 | 177.2 | -59.7 | -82.8 | 0 | 0 | 0 | 109.7 | I1365 H1382 L1384 F1390 N1499 L1503 F1520 G1522 F1524 | I1365-F1501 HydrophobicContact CD1-CG 4.41Å; H1382-F1501 AromaticContact CD2-CD1 3.89Å; H1382-F1501 AromaticContact NE2-CD1 3.58Å; L1384-F1501 HydrophobicContact CD1-CE1 4.13Å; F1390-F1501 HydrophobicContact CE1-CZ 4.38Å; F1390-F1501 HydrophobicContact CZ-CE1 4.22Å; F1390-F1501 AromaticContact CZ-CZ 3.85Å; F1390-F1501 HydrophobicContact CZ-CZ 3.85Å; N1499-F1501 HydrophobicContact CB-CE2 3.87Å; N1499-F1501 HydrophobicContact CB-CZ 3.87Å; F1501-L1503 PolarHBondContact O-N 3.17Å; F1501-F1520 HydrophobicContact CB-CD1 4.19Å; F1501-F1520 AromaticContact CD2-CD1 3.57Å; F1501-F1520 HydrophobicContact CD2-CD1 3.57Å; F1501-F1520 AromaticContact CD2-CE1 3.8Å; F1501-F1520 HydrophobicContact CD2-CE1 3.8Å; F1501-F1520 HydrophobicContact CE2-CD1 4.39Å; F1501-F1520 HydrophobicContact CE2-CE1 4.17Å; F1501-F1520 HydrophobicContact CG-CD1 4.24Å; F1501-F1520 PolarHBondContact N-O 2.84Å; F1501-F1520 PolarHBondContact O-N 3.44Å; F1501-G1522 WeakPolarHBondContact CE2-O 3.49Å; F1501-F1524 HydrophobicContact CE1-CE2 4.38Å; F1501-F1524 AromaticContact CE2-CE2 3.78Å; F1501-F1524 HydrophobicContact CE2-CE2 3.78Å; F1501-F1524 HydrophobicContact CE2-CZ 4.39Å; F1501-F1524 HydrophobicContact CZ-CD2 4.2Å; F1501-F1524 AromaticContact CZ-CE2 3.56Å; F1501-F1524 HydrophobicContact CZ-CE2 3.56Å |
| 1502 | T | 90.7 | Very high | 74.8 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 123.9 | 176.5 | -50.7 | 0 | 0 | 0 | 0 | 110.2 | H1382 Y1516 | H1382-T1502 PolarHBondContact ND1-O 2.84Å; T1502-Y1516 HydrophobicContact CG2-CD2 3.63Å; T1502-Y1516 HydrophobicContact CG2-CE2 3.79Å |
| 1503 | L | 89.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.1 | 175.3 | -57.4 | 167.5 | 0 | 0 | 0 | 108.9 | M1306 V1367 V1381 H1382 F1501 A1517 G1518 F1520 | M1306-L1503 HydrophobicContact CE-CD1 4.1Å; M1306-L1503 HydrophobicContact SD-CD1 3.73Å; V1367-L1503 HydrophobicContact CB-CD1 4.34Å; V1367-L1503 HydrophobicContact CG2-CD1 3.52Å; V1367-L1503 HydrophobicContact CG2-CD2 3.88Å; V1367-L1503 HydrophobicContact CG2-CG 4.37Å; V1381-L1503 WeakPolarHBondContact O-CA 3.42Å; H1382-L1503 HydrophobicContact CB-CD2 4.07Å; F1501-L1503 PolarHBondContact O-N 3.17Å; L1503-A1517 HydrophobicContact CB-CB 4.13Å; L1503-A1517 WeakPolarHBondContact O-CB 3.37Å; L1503-A1517 PolarHBondContact O-N 2.89Å; L1503-G1518 WeakPolarHBondContact CB-O 3.49Å; L1503-G1518 PolarHBondContact N-O 3.04Å; L1503-G1518 PolarHBondContact O-N 2.91Å; L1503-F1520 HydrophobicContact CD1-CB 4.39Å; L1503-F1520 HydrophobicContact CD2-CB 4.1Å; L1503-F1520 HydrophobicContact CG-CB 4.36Å |
| 1504 | S | 81 | Confident | 72.1 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 156.5 | 168.2 | 56.7 | 0 | 0 | 0 | 0 | 111 | G1380 V1381 N1515 | G1380-S1504 VanDerWaalsContact CA-O 3.27Å; G1380-S1504 WeakPolarHBondContact CA-O 3.27Å; V1381-S1504 PolarHBondContact N-O 2.92Å; V1381-S1504 PolarHBondContact O-N 2.96Å; V1381-S1504 PolarHBondContact O-OG 2.72Å; S1504-N1515 CarbonylContact C-O 3.6Å; S1504-N1515 VanDerWaalsContact CA-O 3.26Å; S1504-N1515 WeakPolarHBondContact CA-O 2.89Å |
| 1505 | R | 76 | Confident | 71.2 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 145.9 | 155.9 | -49.4 | 171.3 | 173.6 | -146.5 | -15.5 | 105.4 | K1308 K1507 N1515 Y1516 A1517 | K1308-R1505 PolarHBondContact O-NH2 2.96Å; R1505-K1507 PolarHBondContact O-N 2.8Å; R1505-N1515 WeakPolarHBondContact CA-OD1 3.48Å; R1505-N1515 VanDerWaalsContact CB-OD1 3.25Å; R1505-N1515 WeakPolarHBondContact CB-OD1 3.19Å; R1505-N1515 PolarHBondContact N-O 3.48Å; R1505-N1515 PolarHBondContact N-OD1 2.9Å; R1505-N1515 VanDerWaalsContact O-CG 3.25Å; R1505-N1515 PolarHBondContact O-ND2 2.85Å; R1505-N1515 PolarHBondContact O-OD1 3.16Å; R1505-Y1516 PolarHBondContact NE-O 3.38Å; R1505-A1517 HydrophobicContact CG-CB 3.86Å |
| 1506 | G | 59.6 | Low | 71.1 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -77.6 | -2.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1146 G1151 | A1146-G1506 WeakPolarHBondContact CB-O 3.44Å; G1151-G1506 CarbonylContact C-O 3.57Å; G1151-G1506 VanDerWaalsContact C-O 3.29Å; G1151-G1506 WeakPolarHBondContact CA-O 3.13Å; G1151-G1506 CarbonylContact O-C 3.44Å; G1151-G1506 WeakPolarHBondContact O-CA 3.36Å; G1151-G1506 VanDerWaalsContact O-O 3.12Å |
| 1507 | K | 54.9 | Low | 71.3 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 35% | 0.352 | 34% | 0.342 | S | S | . | . | trans | -119.6 | 114.5 | -172 | -158.4 | -177.4 | -173.7 | -157.2 | 0 | 112.8 | A1147 R1505 V1509 | A1147-K1507 WeakPolarHBondContact O-CE 3.23Å; R1505-K1507 PolarHBondContact O-N 2.8Å; K1507-V1509 HydrophobicContact CD-CG2 3.57Å; K1507-V1509 HydrophobicContact CG-CG2 3.82Å | ||
| 1508 | N | 50.9 | Low | 71.5 | Confident | 106 Ų | 106 | 64.8 Ų | 64.8 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | trans | -78.6 | 112.8 | 158.1 | -86.2 | -5.3 | 0 | 0 | 0 | 108.1 | ||||
| 1509 | V | 46.7 | Very low | 71.8 | Confident | 85 Ų | 85 | 66 Ų | 66 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -100 | -42.8 | 170.2 | -175 | 0 | 0 | 0 | 0 | 110.6 | K1507 | K1507-V1509 HydrophobicContact CD-CG2 3.57Å; K1507-V1509 HydrophobicContact CG-CG2 3.82Å |
| 1510 | D | 47.8 | Very low | 72.1 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 54% | 0.54 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -132.3 | 152.6 | 175.8 | -69.9 | -67.9 | 0 | 0 | 0 | 109.7 | D1512 E1513 | D1510-D1512 PolarHBondContact O-N 3.16Å; D1510-D1512 VanDerWaalsContact O-N 3.14Å; D1510-E1513 PolarHBondContact O-N 2.72Å |
| 1511 | E | 50.6 | Low | 72.2 | Confident | 158 Ų | 158 | 61.7 Ų | 61.7 | 74% | 0.738 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -9.8 | 177.6 | -55.4 | -158.5 | 153.4 | 0 | 0 | 113.1 | K1251 | K1251-E1511 IonicContact NZ-OE1 2.84Å; K1251-E1511 PolarHBondContact NZ-OE1 3.05Å; K1251-E1511 IonicContact NZ-OE2 3.97Å; K1251-E1511 PolarHBondContact NZ-OE2 3.16Å |
| 1512 | D | 47.1 | Very low | 72.3 | Confident | 161 Ų | 161 | 61 Ų | 61 | 86% | 0.861 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -6.2 | -175.6 | -62.2 | -44.1 | 0 | 0 | 0 | 114.3 | D1510 | D1510-D1512 PolarHBondContact O-N 3.16Å; D1510-D1512 VanDerWaalsContact O-N 3.14Å |
| 1513 | E | 50.7 | Low | 72.5 | Confident | 132 Ų | 132 | 57.4 Ų | 57.4 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -83.8 | 131.8 | 178.1 | -81.3 | -152.9 | 148.8 | 0 | 0 | 112.9 | D1510 N1515 | D1510-E1513 PolarHBondContact O-N 2.72Å; E1513-N1515 PolarHBondContact O-N 2.75Å |
| 1514 | D | 58.7 | Low | 72.6 | Confident | 97 Ų | 97 | 57.4 Ų | 57.4 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | trans | -68.9 | 103.8 | 177 | 176.4 | -0.1 | 0 | 0 | 0 | 111.7 | R1307 Y1516 | R1307-D1514 IonicContact CZ-OD2 3.11Å; R1307-D1514 IonicContact NH1-OD1 2.7Å; R1307-D1514 PolarHBondContact NH1-OD1 2.84Å; R1307-D1514 IonicContact NH1-OD2 3.27Å; R1307-D1514 PolarHBondContact NH1-OD2 2.77Å; R1307-D1514 IonicContact NH2-OD1 3.17Å; R1307-D1514 IonicContact NH2-OD2 2.77Å; R1307-D1514 PolarHBondContact NH2-OD2 2.79Å; D1514-Y1516 PolarHBondContact O-N 2.69Å; D1514-Y1516 VanDerWaalsContact OD1-CB 3.23Å; D1514-Y1516 WeakPolarHBondContact OD1-CB 3.37Å; D1514-Y1516 PolarHBondContact OD1-N 2.94Å | ||
| 1515 | N | 72.8 | Confident | 73.2 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | trans | -76.2 | 4.6 | -174.9 | -158.1 | 20.5 | 0 | 0 | 0 | 114.7 | S1504 R1505 E1513 | S1504-N1515 CarbonylContact C-O 3.6Å; S1504-N1515 VanDerWaalsContact CA-O 3.26Å; S1504-N1515 WeakPolarHBondContact CA-O 2.89Å; R1505-N1515 WeakPolarHBondContact CA-OD1 3.48Å; R1505-N1515 VanDerWaalsContact CB-OD1 3.25Å; R1505-N1515 WeakPolarHBondContact CB-OD1 3.19Å; R1505-N1515 PolarHBondContact N-O 3.48Å; R1505-N1515 PolarHBondContact N-OD1 2.9Å; R1505-N1515 VanDerWaalsContact O-CG 3.25Å; R1505-N1515 PolarHBondContact O-ND2 2.85Å; R1505-N1515 PolarHBondContact O-OD1 3.16Å; E1513-N1515 PolarHBondContact O-N 2.75Å | ||
| 1516 | Y | 84.8 | Confident | 74 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 133.3 | 179.3 | -177.7 | -78.3 | 0 | 0 | 0 | 112.3 | A1305 R1307 T1502 R1505 D1514 G1518 E1519 | A1305-Y1516 HydrophobicContact CB-CE1 4.38Å; A1305-Y1516 WeakPolarHBondContact CB-OH 3.48Å; R1307-Y1516 WeakPolarHBondContact CD-O 3.49Å; R1307-Y1516 HydrophobicContact CG-CD1 4.05Å; R1307-Y1516 HydrophobicContact CG-CE1 4.29Å; R1307-Y1516 VanDerWaalsContact NE-CD1 3.31Å; R1307-Y1516 PolarHBondContact NH1-O 3.45Å; T1502-Y1516 HydrophobicContact CG2-CD2 3.63Å; T1502-Y1516 HydrophobicContact CG2-CE2 3.79Å; R1505-Y1516 PolarHBondContact NE-O 3.38Å; D1514-Y1516 PolarHBondContact O-N 2.69Å; D1514-Y1516 VanDerWaalsContact OD1-CB 3.23Å; D1514-Y1516 WeakPolarHBondContact OD1-CB 3.37Å; D1514-Y1516 PolarHBondContact OD1-N 2.94Å; Y1516-G1518 VanDerWaalsContact CE1-CA 3.43Å; Y1516-E1519 PolarHBondContact OH-OE1 3.04Å |
| 1517 | A | 87.2 | Confident | 75.5 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -30.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1307 V1379 L1503 R1505 | R1307-A1517 PolarHBondContact N-O 3.4Å; V1379-A1517 WeakPolarHBondContact O-CB 3.27Å; L1503-A1517 HydrophobicContact CB-CB 4.13Å; L1503-A1517 WeakPolarHBondContact O-CB 3.37Å; L1503-A1517 PolarHBondContact O-N 2.89Å; R1505-A1517 HydrophobicContact CG-CB 3.86Å |
| 1518 | G | 91.9 | Very high | 77.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.5 | -158.6 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1503 Y1516 | L1503-G1518 WeakPolarHBondContact CB-O 3.49Å; L1503-G1518 PolarHBondContact N-O 3.04Å; L1503-G1518 PolarHBondContact O-N 2.91Å; Y1516-G1518 VanDerWaalsContact CE1-CA 3.43Å |
| 1519 | E | 94.4 | Very high | 79.1 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141 | -179 | -81.9 | 159.4 | -144.9 | 0 | 0 | 111.1 | V1303 R1304 T1500 Y1516 K1617 | V1303-E1519 CarbonylContact C-O 3.57Å; V1303-E1519 VanDerWaalsContact CA-O 3.28Å; V1303-E1519 WeakPolarHBondContact CA-O 3.42Å; R1304-E1519 HydrophobicContact CB-CB 3.88Å; R1304-E1519 PolarHBondContact N-O 3.47Å; R1304-E1519 PolarHBondContact O-N 2.98Å; T1500-E1519 HydrophobicContact CG2-CB 3.96Å; T1500-E1519 HydrophobicContact CG2-CG 3.61Å; Y1516-E1519 PolarHBondContact OH-OE1 3.04Å; E1519-K1617 IonicContact OE2-NZ 3.94Å; E1519-K1617 PolarHBondContact OE2-NZ 3.41Å |
| 1520 | F | 95.2 | Very high | 81 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.2 | 163.5 | 163.4 | -110.5 | 0 | 0 | 0 | 109 | C1300 G1302 V1319 F1321 I1365 F1501 L1503 F1524 | C1300-F1520 HydrophobicContact CB-CE2 4.45Å; G1302-F1520 WeakPolarHBondContact O-CD2 3.47Å; V1319-F1520 HydrophobicContact CG2-CD2 4.08Å; V1319-F1520 HydrophobicContact CG2-CE2 4.33Å; F1321-F1520 AromaticContact CE1-CE1 3.79Å; F1321-F1520 HydrophobicContact CE1-CE1 3.79Å; F1321-F1520 HydrophobicContact CE1-CE2 4.45Å; F1321-F1520 AromaticContact CE1-CZ 3.67Å; F1321-F1520 HydrophobicContact CE1-CZ 3.67Å; F1321-F1520 HydrophobicContact CZ-CE1 4.04Å; F1321-F1520 AromaticContact CZ-CE2 3.87Å; F1321-F1520 HydrophobicContact CZ-CE2 3.87Å; F1321-F1520 AromaticContact CZ-CZ 3.43Å; F1321-F1520 HydrophobicContact CZ-CZ 3.43Å; F1321-F1520 VanDerWaalsContact CZ-CZ 3.43Å; I1365-F1520 HydrophobicContact CD1-CD1 4.18Å; I1365-F1520 HydrophobicContact CD1-CE1 4.25Å; I1365-F1520 HydrophobicContact CG2-CD1 3.7Å; I1365-F1520 HydrophobicContact CG2-CE1 4.11Å; I1365-F1520 HydrophobicContact CG2-CG 4.06Å; F1501-F1520 HydrophobicContact CB-CD1 4.19Å; F1501-F1520 AromaticContact CD2-CD1 3.57Å; F1501-F1520 HydrophobicContact CD2-CD1 3.57Å; F1501-F1520 AromaticContact CD2-CE1 3.8Å; F1501-F1520 HydrophobicContact CD2-CE1 3.8Å; F1501-F1520 HydrophobicContact CE2-CD1 4.39Å; F1501-F1520 HydrophobicContact CE2-CE1 4.17Å; F1501-F1520 HydrophobicContact CG-CD1 4.24Å; F1501-F1520 PolarHBondContact N-O 2.84Å; F1501-F1520 PolarHBondContact O-N 3.44Å; L1503-F1520 HydrophobicContact CD1-CB 4.39Å; L1503-F1520 HydrophobicContact CD2-CB 4.1Å; L1503-F1520 HydrophobicContact CG-CB 4.36Å; F1520-F1524 HydrophobicContact CE1-CZ 4.38Å |
| 1521 | K | 94.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.2 | 170.4 | -83.1 | -165.6 | 175.5 | -176.8 | 0 | 110.3 | W1301 G1302 R1304 N1499 T1500 D1641 E1643 N1644 | W1301-K1521 WeakPolarHBondContact CB-O 3.06Å; W1301-K1521 PolarHBondContact N-O 3.41Å; W1301-K1521 VanDerWaalsContact N-O 3.08Å; G1302-K1521 PolarHBondContact N-O 3.14Å; G1302-K1521 VanDerWaalsContact N-O 3.16Å; G1302-K1521 PolarHBondContact O-N 3.12Å; R1304-K1521 HydrophobicContact CG-CD 4.23Å; R1304-K1521 HydrophobicContact CG-CG 4.27Å; N1499-K1521 WeakPolarHBondContact O-CA 3.34Å; T1500-K1521 HydrophobicContact CG2-CG 4.4Å; T1500-K1521 VanDerWaalsContact OG1-CE 3.3Å; T1500-K1521 WeakPolarHBondContact OG1-CE 3.43Å; K1521-D1641 VanDerWaalsContact NZ-CG 3.32Å; K1521-D1641 IonicContact NZ-OD1 3.84Å; K1521-D1641 PolarHBondContact NZ-OD1 3.36Å; K1521-D1641 VanDerWaalsContact NZ-OD1 3.08Å; K1521-D1641 IonicContact NZ-OD2 3.82Å; K1521-D1641 PolarHBondContact NZ-OD2 2.77Å; K1521-E1643 VanDerWaalsContact CD-OE2 3.27Å; K1521-E1643 WeakPolarHBondContact CD-OE2 3.45Å; K1521-E1643 WeakPolarHBondContact CE-OE2 3.38Å; K1521-E1643 IonicContact NZ-OE2 2.76Å; K1521-E1643 PolarHBondContact NZ-OE2 3.14Å; K1521-N1644 PolarHBondContact NZ-OD1 2.98Å |
| 1522 | G | 94.1 | Very high | 84 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.2 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1299 N1499 F1501 | L1299-G1522 CarbonylContact O-C 3.49Å; L1299-G1522 WeakPolarHBondContact O-CA 3.29Å; N1499-G1522 CarbonylContact C-O 3.58Å; N1499-G1522 WeakPolarHBondContact CA-O 3.45Å; N1499-G1522 PolarHBondContact N-O 3.42Å; N1499-G1522 PolarHBondContact O-N 2.6Å; N1499-G1522 VanDerWaalsContact O-O 3.04Å; F1501-G1522 WeakPolarHBondContact CE2-O 3.49Å |
| 1523 | T | 93.7 | Very high | 85.5 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 171.3 | 173.8 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | L1299 F1497 C1498 N1499 R1525 F1542 | L1299-T1523 HydrophobicContact CB-CG2 4.11Å; L1299-T1523 HydrophobicContact CD2-CG2 4.2Å; L1299-T1523 PolarHBondContact N-O 2.97Å; L1299-T1523 PolarHBondContact O-N 3.46Å; L1299-T1523 VanDerWaalsContact O-N 3.1Å; F1497-T1523 VanDerWaalsContact O-CG2 3.25Å; F1497-T1523 WeakPolarHBondContact O-CG2 3.32Å; C1498-T1523 HydrophobicContact CB-CG2 4.46Å; N1499-T1523 VanDerWaalsContact OD1-CB 3.28Å; N1499-T1523 WeakPolarHBondContact OD1-CB 3.36Å; N1499-T1523 PolarHBondContact OD1-OG1 3.15Å; T1523-R1525 PolarHBondContact OG1-NH1 3.08Å; T1523-F1542 HydrophobicContact CG2-CE1 4.35Å; T1523-F1542 HydrophobicContact CG2-CZ 3.88Å |
| 1524 | F | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.8 | -170.1 | -48.9 | -75.5 | 0 | 0 | 0 | 111.4 | I1296 E1297 I1298 F1321 M1363 I1365 L1384 F1390 F1501 F1520 | I1296-F1524 HydrophobicContact CG2-CB 4.45Å; I1296-F1524 HydrophobicContact CG2-CD1 4.36Å; E1297-F1524 CarbonylContact O-C 3.49Å; E1297-F1524 VanDerWaalsContact O-CA 3.31Å; E1297-F1524 WeakPolarHBondContact O-CA 3.42Å; I1298-F1524 HydrophobicContact CB-CD1 4.23Å; I1298-F1524 HydrophobicContact CB-CE1 4.39Å; I1298-F1524 HydrophobicContact CG1-CD1 3.98Å; I1298-F1524 HydrophobicContact CG1-CE1 4.24Å; I1298-F1524 HydrophobicContact CG2-CD1 3.92Å; I1298-F1524 HydrophobicContact CG2-CE1 3.64Å; F1321-F1524 AromaticContact CD1-CE1 3.96Å; F1321-F1524 HydrophobicContact CD1-CE1 3.96Å; F1321-F1524 HydrophobicContact CD1-CZ 4.29Å; F1321-F1524 AromaticContact CE1-CE1 3.84Å; F1321-F1524 HydrophobicContact CE1-CE1 3.84Å; F1321-F1524 HydrophobicContact CE1-CZ 4.01Å; M1363-F1524 HydrophobicContact CE-CD1 3.61Å; M1363-F1524 HydrophobicContact CE-CD2 3.76Å; M1363-F1524 HydrophobicContact CE-CE1 3.34Å; M1363-F1524 HydrophobicContact CE-CE2 3.51Å; M1363-F1524 HydrophobicContact CE-CG 3.81Å; M1363-F1524 HydrophobicContact CE-CZ 3.31Å; M1363-F1524 HydrophobicContact SD-CD1 4.34Å; M1363-F1524 HydrophobicContact SD-CE1 3.94Å; M1363-F1524 HydrophobicContact SD-CZ 4.31Å; I1365-F1524 HydrophobicContact CD1-CE2 4.27Å; I1365-F1524 HydrophobicContact CD1-CZ 3.8Å; L1384-F1524 HydrophobicContact CD2-CD2 4.04Å; L1384-F1524 HydrophobicContact CD2-CE2 3.92Å; F1390-F1524 HydrophobicContact CB-CB 3.99Å; F1390-F1524 HydrophobicContact CD1-CB 3.95Å; F1390-F1524 HydrophobicContact CD1-CD2 4.01Å; F1390-F1524 HydrophobicContact CD1-CG 4.49Å; F1390-F1524 HydrophobicContact CD2-CD2 4.34Å; F1390-F1524 HydrophobicContact CE1-CD2 4.02Å; F1390-F1524 HydrophobicContact CE2-CD2 4.37Å; F1390-F1524 HydrophobicContact CG-CB 3.99Å; F1390-F1524 HydrophobicContact CG-CD2 4.17Å; F1390-F1524 HydrophobicContact CZ-CD2 4.21Å; F1501-F1524 HydrophobicContact CE1-CE2 4.38Å; F1501-F1524 AromaticContact CE2-CE2 3.78Å; F1501-F1524 HydrophobicContact CE2-CE2 3.78Å; F1501-F1524 HydrophobicContact CE2-CZ 4.39Å; F1501-F1524 HydrophobicContact CZ-CD2 4.2Å; F1501-F1524 AromaticContact CZ-CE2 3.56Å; F1501-F1524 HydrophobicContact CZ-CE2 3.56Å; F1520-F1524 HydrophobicContact CE1-CZ 4.38Å |
| 1525 | R | 92 | Very high | 88.2 | Confident | 51 Ų | 51 | 43.6 Ų | 43.6 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 116.1 | 166.1 | -62.8 | -65.7 | 178.6 | -90.3 | 0 | 108.3 | I1296 E1297 F1390 V1392 T1523 Y1541 F1542 | I1296-R1525 WeakPolarHBondContact CA-O 3.45Å; E1297-R1525 HydrophobicContact CB-CB 4.29Å; E1297-R1525 PolarHBondContact N-O 3.47Å; E1297-R1525 PolarHBondContact O-N 3.24Å; F1390-R1525 WeakPolarHBondContact O-CA 3.35Å; V1392-R1525 HydrophobicContact CG2-CB 3.86Å; V1392-R1525 HydrophobicContact CG2-CG 4.44Å; T1523-R1525 PolarHBondContact OG1-NH1 3.08Å; R1525-Y1541 HydrophobicContact CB-CD2 4.21Å; R1525-Y1541 HydrophobicContact CB-CG 4.4Å; R1525-Y1541 HydrophobicContact CG-CD2 4.44Å; R1525-Y1541 HydrophobicContact CG-CG 4.15Å; R1525-F1542 HydrophobicContact CB-CZ 4.48Å; R1525-F1542 HydrophobicContact CG-CE1 4.1Å; R1525-F1542 HydrophobicContact CG-CE2 4.02Å; R1525-F1542 HydrophobicContact CG-CZ 3.54Å |
| 1526 | I | 92.6 | Very high | 88.6 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.6 | -172.5 | -55.7 | 179 | 0 | 0 | 0 | 108.2 | T1294 G1295 I1296 F1387 F1390 K1391 V1392 | T1294-I1526 HydrophobicContact CG2-CG2 3.55Å; G1295-I1526 WeakPolarHBondContact O-CA 3.21Å; I1296-I1526 HydrophobicContact CG1-CG1 4.27Å; I1296-I1526 HydrophobicContact CG2-CG1 4.15Å; F1387-I1526 HydrophobicContact CB-CD1 4.16Å; F1387-I1526 HydrophobicContact CD1-CD1 3.5Å; F1387-I1526 HydrophobicContact CE1-CD1 4.28Å; F1387-I1526 HydrophobicContact CG-CD1 4.19Å; F1390-I1526 HydrophobicContact CB-CD1 4.07Å; F1390-I1526 HydrophobicContact CB-CG1 4.24Å; F1390-I1526 PolarHBondContact O-N 2.6Å; K1391-I1526 WeakPolarHBondContact CA-O 3.07Å; K1391-I1526 HydrophobicContact CG-CB 4.34Å; K1391-I1526 HydrophobicContact CG-CG2 4.47Å; V1392-I1526 PolarHBondContact N-O 3.11Å |
| 1527 | Y | 91.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 150.2 | -176.7 | 57.6 | -89.9 | 0 | 0 | 0 | 112.4 | G1295 E1297 V1392 A1394 L1529 P1538 Y1541 | G1295-Y1527 PolarHBondContact N-O 2.98Å; G1295-Y1527 PolarHBondContact O-N 3.33Å; E1297-Y1527 HydrophobicContact CG-CE1 4.03Å; E1297-Y1527 VanDerWaalsContact OE1-CE1 3.25Å; E1297-Y1527 WeakPolarHBondContact OE1-CE1 3.36Å; E1297-Y1527 PolarHBondContact OE1-OH 2.85Å; V1392-Y1527 HydrophobicContact CG2-CD1 4.13Å; V1392-Y1527 WeakPolarHBondContact O-CB 3.31Å; A1394-Y1527 HydrophobicContact CB-CD2 4.31Å; Y1527-L1529 HydrophobicContact CD2-CD2 4.05Å; Y1527-L1529 HydrophobicContact CE2-CD2 3.58Å; Y1527-P1538 HydrophobicContact CD2-CG 4.4Å; Y1527-P1538 HydrophobicContact CE2-CB 4.05Å; Y1527-P1538 HydrophobicContact CE2-CG 4.06Å; Y1527-Y1541 HydrophobicContact CD1-CD2 4.31Å; Y1527-Y1541 HydrophobicContact CD1-CE2 4.38Å; Y1527-Y1541 HydrophobicContact CE1-CD2 4.19Å |
| 1528 | P | 90.5 | Very high | 88.4 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144.1 | 178.2 | 27.9 | -35.3 | 0 | 0 | 0 | 112.1 | Q1292 | Q1292-P1528 HydrophobicContact CG-CB 4.47Å |
| 1529 | L | 90.5 | Very high | 87.9 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | trans | -106.5 | 159.8 | 173.1 | -61.2 | 178.8 | 0 | 0 | 0 | 110.9 | R1293 F1348 D1350 Y1527 L1537 P1538 | R1293-L1529 HydrophobicContact CB-CB 4.46Å; R1293-L1529 HydrophobicContact CG-CB 4.1Å; R1293-L1529 HydrophobicContact CG-CD1 4.23Å; R1293-L1529 PolarHBondContact O-N 3.22Å; F1348-L1529 HydrophobicContact CZ-CD1 4.12Å; D1350-L1529 HydrophobicContact CB-CD1 4.44Å; Y1527-L1529 HydrophobicContact CD2-CD2 4.05Å; Y1527-L1529 HydrophobicContact CE2-CD2 3.58Å; L1529-L1537 HydrophobicContact CD1-CD2 4.29Å; L1529-L1537 HydrophobicContact CD2-CD2 4.14Å; L1529-P1538 HydrophobicContact CD2-CG 4.31Å | ||
| 1530 | P | 86.6 | Confident | 87.5 | Confident | 29 Ų | 29 | 58 Ų | 58 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | trans | -55.4 | 143.7 | 169.7 | -25.9 | 35.3 | 0 | 0 | 0 | 112.9 | R1293 E1535 | R1293-P1530 WeakPolarHBondContact CD-O 3Å; R1293-P1530 PolarHBondContact NH1-O 2.82Å; P1530-E1535 HydrophobicContact CB-CB 3.75Å; P1530-E1535 WeakPolarHBondContact CB-OE2 3.49Å; P1530-E1535 HydrophobicContact CG-CB 4.17Å | ||
| 1531 | E | 80.4 | Confident | 86.9 | Confident | 155 Ų | 155 | 61.2 Ų | 61.2 | 72% | 0.724 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -68.5 | -35.6 | -178.8 | -67.2 | -171.2 | 168.3 | 0 | 0 | 112.5 | P1533 | E1531-P1533 WeakPolarHBondContact O-CD 3.3Š|
| 1532 | D | 82.4 | Confident | 86.4 | Confident | 70 Ų | 70 | 62.2 Ų | 62.2 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -78.5 | 121.7 | 171.5 | -171.2 | -13.9 | 0 | 0 | 0 | 110.8 | R1293 K1534 E1535 | R1293-D1532 PolarHBondContact NH1-O 2.83Å; D1532-K1534 PolarHBondContact O-N 2.87Å; D1532-K1534 WeakPolarHBondContact OD1-CB 3.36Å; D1532-K1534 WeakPolarHBondContact OD1-CG 3.45Å; D1532-K1534 PolarHBondContact OD1-N 3.02Å; D1532-E1535 HydrophobicContact CB-CG 4.27Å; D1532-E1535 PolarHBondContact O-N 2.98Å; D1532-E1535 VanDerWaalsContact O-N 3.15Å |
| 1533 | P | 77.5 | Confident | 85.5 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -15.8 | 171.9 | -25.9 | 37.1 | 0 | 0 | 0 | 115.9 | E1531 | E1531-P1533 WeakPolarHBondContact O-CD 3.3Š|
| 1534 | K | 83.7 | Confident | 84.4 | Confident | 185 Ų | 185 | 75.2 Ų | 75.2 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -15.6 | 179 | -59.6 | 168.2 | -172.3 | 162.3 | 0 | 114 | D1532 | D1532-K1534 PolarHBondContact O-N 2.87Å; D1532-K1534 WeakPolarHBondContact OD1-CB 3.36Å; D1532-K1534 WeakPolarHBondContact OD1-CG 3.45Å; D1532-K1534 PolarHBondContact OD1-N 3.02Å |
| 1535 | E | 83.6 | Confident | 83.5 | Confident | 119 Ų | 119 | 77.9 Ų | 77.9 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -69.2 | 152.7 | 175.1 | -81.6 | -173.4 | -160.4 | 0 | 0 | 111.4 | P1530 D1532 L1537 | P1530-E1535 HydrophobicContact CB-CB 3.75Å; P1530-E1535 WeakPolarHBondContact CB-OE2 3.49Å; P1530-E1535 HydrophobicContact CG-CB 4.17Å; D1532-E1535 HydrophobicContact CB-CG 4.27Å; D1532-E1535 PolarHBondContact O-N 2.98Å; D1532-E1535 VanDerWaalsContact O-N 3.15Å; E1535-L1537 PolarHBondContact O-N 3.38Å |
| 1536 | Q | 80.3 | Confident | 82.4 | Confident | 186 Ų | 186 | 80 Ų | 80 | 87% | 0.869 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 123.6 | -177.6 | -172.6 | 169.3 | -4.4 | 0 | 0 | 110.1 | ||
| 1537 | L | 83.2 | Confident | 81.7 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -63 | 148 | 178.4 | -63.8 | 175 | 0 | 0 | 0 | 111.2 | L1529 E1535 | L1529-L1537 HydrophobicContact CD1-CD2 4.29Å; L1529-L1537 HydrophobicContact CD2-CD2 4.14Å; E1535-L1537 PolarHBondContact O-N 3.38Å |
| 1538 | P | 83.6 | Confident | 81.2 | Confident | 28 Ų | 28 | 84.5 Ų | 84.5 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 156.1 | 170.9 | -24.7 | 34.4 | 0 | 0 | 0 | 112.7 | A1394 Y1527 L1529 R1540 | A1394-P1538 HydrophobicContact CB-CB 4.14Å; A1394-P1538 HydrophobicContact CB-CG 3.85Å; Y1527-P1538 HydrophobicContact CD2-CG 4.4Å; Y1527-P1538 HydrophobicContact CE2-CB 4.05Å; Y1527-P1538 HydrophobicContact CE2-CG 4.06Å; L1529-P1538 HydrophobicContact CD2-CG 4.31Å; P1538-R1540 PolarHBondContact O-N 3.31Å |
| 1539 | I | 83.4 | Confident | 80.9 | Confident | 48 Ų | 48 | 82.8 Ų | 82.8 | 25% | 0.246 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 135.6 | 176.4 | -59.2 | 170.3 | 0 | 0 | 0 | 108.3 | R1395 Q1398 | R1395-I1539 HydrophobicContact CB-CB 4.45Å; R1395-I1539 WeakPolarHBondContact CB-O 3.31Å; R1395-I1539 HydrophobicContact CG-CB 4.25Å; R1395-I1539 PolarHBondContact O-N 2.79Å; Q1398-I1539 HydrophobicContact CG-CD1 3.98Å; Q1398-I1539 HydrophobicContact CG-CG2 4.38Å |
| 1540 | R | 85.4 | Confident | 80.9 | Confident | 100 Ų | 100 | 87.5 Ų | 87.5 | 38% | 0.377 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 142.1 | -178.1 | -77.2 | -177.8 | -177.8 | 175.8 | 0.5 | 111.4 | E1297 F1348 R1395 P1538 E1543 | E1297-R1540 HydrophobicContact CG-CG 4.38Å; E1297-R1540 VanDerWaalsContact OE1-CA 3.25Å; E1297-R1540 WeakPolarHBondContact OE1-CA 3.13Å; E1297-R1540 WeakPolarHBondContact OE2-CB 3.24Å; F1348-R1540 VanDerWaalsContact CD1-NH2 3.3Å; R1395-R1540 PolarHBondContact NH1-O 2.93Å; P1538-R1540 PolarHBondContact O-N 3.31Å; R1540-E1543 HydrophobicContact CB-CB 3.88Å; R1540-E1543 HydrophobicContact CB-CG 4.34Å |
| 1541 | Y | 81.8 | Confident | 81.2 | Confident | 66 Ų | 66 | 88.2 Ų | 88.2 | 26% | 0.259 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -64.7 | -45.8 | 174.2 | -84.7 | -82.1 | 0 | 0 | 0 | 111.3 | E1297 V1392 P1393 R1395 R1525 Y1527 | E1297-Y1541 VanDerWaalsContact CD-N 3.27Å; E1297-Y1541 PolarHBondContact OE1-N 2.91Å; E1297-Y1541 PolarHBondContact OE2-N 2.69Å; V1392-Y1541 HydrophobicContact CB-CE2 4.23Å; V1392-Y1541 HydrophobicContact CG2-CD2 4.03Å; V1392-Y1541 HydrophobicContact CG2-CE2 3.49Å; V1392-Y1541 VanDerWaalsContact CG2-CE2 3.49Å; P1393-Y1541 WeakPolarHBondContact O-CE2 3.44Å; P1393-Y1541 PolarHBondContact O-OH 3.44Å; R1395-Y1541 HydrophobicContact CB-CD2 4.34Å; R1395-Y1541 HydrophobicContact CB-CE1 4.46Å; R1395-Y1541 HydrophobicContact CB-CE2 3.79Å; R1395-Y1541 PolarHBondContact NH1-O 2.85Å; R1525-Y1541 HydrophobicContact CB-CD2 4.21Å; R1525-Y1541 HydrophobicContact CB-CG 4.4Å; R1525-Y1541 HydrophobicContact CG-CD2 4.44Å; R1525-Y1541 HydrophobicContact CG-CG 4.15Å; Y1527-Y1541 HydrophobicContact CD1-CD2 4.31Å; Y1527-Y1541 HydrophobicContact CD1-CE2 4.38Å; Y1527-Y1541 HydrophobicContact CE1-CD2 4.19Å |
| 1542 | F | 83.7 | Confident | 81.7 | Confident | 22 Ų | 22 | 83.3 Ų | 83.3 | 10% | 0.096 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -93.9 | 12.3 | -177.4 | -51.9 | -48 | 0 | 0 | 0 | 114.4 | E1297 L1299 L1346 T1523 R1525 K1544 | E1297-F1542 HydrophobicContact CB-CD2 3.73Å; E1297-F1542 HydrophobicContact CB-CE2 3.86Å; E1297-F1542 PolarHBondContact OE2-N 3.14Å; L1299-F1542 HydrophobicContact CB-CD2 4.14Å; L1299-F1542 HydrophobicContact CB-CE1 4.43Å; L1299-F1542 HydrophobicContact CB-CE2 3.87Å; L1299-F1542 HydrophobicContact CB-CZ 4.02Å; L1346-F1542 HydrophobicContact CD1-CB 4.42Å; L1346-F1542 WeakPolarHBondContact CD1-O 3.45Å; L1346-F1542 HydrophobicContact CD2-CB 3.51Å; L1346-F1542 HydrophobicContact CD2-CD2 4.39Å; L1346-F1542 HydrophobicContact CD2-CG 4.21Å; T1523-F1542 HydrophobicContact CG2-CE1 4.35Å; T1523-F1542 HydrophobicContact CG2-CZ 3.88Å; R1525-F1542 HydrophobicContact CB-CZ 4.48Å; R1525-F1542 HydrophobicContact CG-CE1 4.1Å; R1525-F1542 HydrophobicContact CG-CE2 4.02Å; R1525-F1542 HydrophobicContact CG-CZ 3.54Å; F1542-K1544 PolarHBondContact O-N 3.48Å |
| 1543 | E | 75.7 | Confident | 82.3 | Confident | 116 Ų | 116 | 83.5 Ų | 83.5 | 54% | 0.542 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -54.2 | -31.9 | -173 | -155.4 | -179.9 | 149.1 | 0 | 0 | 114.1 | R1540 | R1540-E1543 HydrophobicContact CB-CB 3.88Å; R1540-E1543 HydrophobicContact CB-CG 4.34Å |
| 1544 | K | 69.6 | Low | 83.1 | Confident | 158 Ų | 158 | 78.9 Ų | 78.9 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -129.3 | 96.8 | 174.6 | -67.1 | 178.5 | -177.5 | 171.4 | 0 | 109.6 | F1542 | F1542-K1544 PolarHBondContact O-N 3.48Š|
| 1545 | L | 74.7 | Confident | 83.7 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 29% | 0.293 | 36% | 0.363 | S | S | . | . | trans | -69.3 | 128.4 | 165 | -67.1 | 176.6 | 0 | 0 | 0 | 109.4 | L1299 P1345 L1346 F1497 V1547 | L1299-L1545 HydrophobicContact CD1-CD1 3.99Å; L1299-L1545 HydrophobicContact CD1-CD2 4.07Å; P1345-L1545 HydrophobicContact CG-CD1 3.96Å; L1346-L1545 HydrophobicContact CD1-CD1 4.27Å; L1346-L1545 HydrophobicContact CD1-CG 4.28Å; L1346-L1545 HydrophobicContact CD2-CD1 3.81Å; L1346-L1545 HydrophobicContact CD2-CD2 4.29Å; L1346-L1545 HydrophobicContact CD2-CG 4.09Å; L1346-L1545 HydrophobicContact CG-CD1 4.04Å; L1346-L1545 HydrophobicContact CG-CG 4.47Å; F1497-L1545 HydrophobicContact CE2-CD2 4.42Å; L1545-V1547 VanDerWaalsContact C-N 3.26Å | ||
| 1546 | S | 68.9 | Low | 84.2 | Confident | 95 Ų | 95 | 66 Ų | 66 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -81.9 | -1.7 | 175.4 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1547 | V | 77.9 | Confident | 85 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -128 | 137.5 | -174.1 | -169.8 | 0 | 0 | 0 | 0 | 110.1 | W1301 F1497 L1545 L1647 | W1301-V1547 HydrophobicContact CH2-CG1 4.36Å; F1497-V1547 HydrophobicContact CE2-CG2 4.41Å; L1545-V1547 VanDerWaalsContact C-N 3.26Å; V1547-L1647 HydrophobicContact CG1-CD2 3.7Å; V1547-L1647 HydrophobicContact CG2-CD2 4.49Å |
| 1548 | S | 82.8 | Confident | 85.6 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | trans | -76.2 | 147.4 | 173.9 | -173 | 0 | 0 | 0 | 0 | 111.6 | W1301 D1550 | W1301-S1548 WeakPolarHBondContact CH2-O 3.33Å; S1548-D1550 VanDerWaalsContact C-N 3.29Å; S1548-D1550 PolarHBondContact OG-N 2.66Å; S1548-D1550 PolarHBondContact OG-OD2 3.02Å | ||
| 1549 | S | 84.2 | Confident | 86.3 | Confident | 20 Ų | 20 | 53 Ų | 53 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -79.8 | -7.5 | 170.9 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | N1339 N1341 | N1339-S1549 PolarHBondContact ND2-O 2.89Å; N1339-S1549 PolarHBondContact OD1-O 2.89Å; N1341-S1549 WeakPolarHBondContact CB-O 3.42Å; N1341-S1549 PolarHBondContact ND2-O 3.35Å |
| 1550 | D | 89.6 | Confident | 86.9 | Confident | 108 Ų | 108 | 50.8 Ų | 50.8 | 58% | 0.578 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -71.1 | 145.8 | 175.9 | -67.5 | -48.8 | 0 | 0 | 0 | 111.6 | S1548 | S1548-D1550 VanDerWaalsContact C-N 3.29Å; S1548-D1550 PolarHBondContact OG-N 2.66Å; S1548-D1550 PolarHBondContact OG-OD2 3.02Å |
| 1551 | P | 92 | Very high | 87.4 | Confident | 43 Ų | 43 | 46 Ų | 46 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | trans | -66.5 | 137.8 | 177.5 | -17.4 | 32.5 | 0 | 0 | 0 | 111.6 | N1339 I1612 L1613 I1615 | N1339-P1551 HydrophobicContact CB-CG 3.85Å; P1551-I1612 HydrophobicContact CB-CG2 3.55Å; P1551-L1613 CarbonylContact C-O 3.52Å; P1551-L1613 WeakPolarHBondContact CA-O 3.26Å; P1551-I1615 HydrophobicContact CB-CD1 4.12Å; P1551-I1615 HydrophobicContact CB-CG1 4.27Å; P1551-I1615 HydrophobicContact CG-CD1 4.18Å; P1551-I1615 HydrophobicContact CG-CG1 4.43Å | ||
| 1552 | E | 91.8 | Very high | 88 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 24% | 0.243 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.7 | -176.9 | -174.3 | 168.1 | -123.9 | 0 | 0 | 110.3 | C1554 L1613 R1646 P1774 S1776 | E1552-C1554 PolarHBondContact O-N 2.88Å; E1552-L1613 PolarHBondContact N-O 3.38Å; E1552-L1613 PolarHBondContact O-N 2.9Å; E1552-R1646 IonicContact OE1-NH2 3.37Å; E1552-R1646 IonicContact OE2-CZ 3.28Å; E1552-R1646 IonicContact OE2-NE 3.43Å; E1552-R1646 PolarHBondContact OE2-NE 2.97Å; E1552-R1646 IonicContact OE2-NH2 3.49Å; E1552-R1646 PolarHBondContact OE2-NH2 3.25Å; E1552-P1774 HydrophobicContact CG-CB 4.23Å; E1552-P1774 WeakPolarHBondContact OE1-CB 3.16Å; E1552-P1774 WeakPolarHBondContact OE2-CG 3.44Å; E1552-S1776 PolarHBondContact OE1-OG 2.71Å |
| 1553 | E | 95 | Very high | 88.6 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 116.3 | 170.7 | -172.1 | -169.9 | -122.4 | 0 | 0 | 109.2 | K1610 T1775 | E1553-K1610 HydrophobicContact CG-CD 4.45Å; E1553-K1610 WeakPolarHBondContact OE1-CD 3.32Å; E1553-K1610 IonicContact OE1-NZ 2.8Å; E1553-K1610 PolarHBondContact OE1-NZ 2.91Å; E1553-K1610 VanDerWaalsContact OE1-NZ 3.08Å; E1553-K1610 WeakPolarHBondContact OE2-CE 3.3Å; E1553-K1610 IonicContact OE2-NZ 2.72Å; E1553-K1610 PolarHBondContact OE2-NZ 2.88Å; E1553-T1775 HydrophobicContact CG-CG2 4.13Å; E1553-T1775 WeakPolarHBondContact O-CB 3.4Å; E1553-T1775 WeakPolarHBondContact O-CG2 3.48Å; E1553-T1775 PolarHBondContact O-N 2.8Å; E1553-T1775 PolarHBondContact O-OG1 3.17Å; E1553-T1775 PolarHBondContact OE2-OG1 2.96Å |
| 1554 | C | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 139 | 177.4 | -71.8 | 0 | 0 | 0 | 0 | 110.5 | E1552 K1610 C1611 L1613 I1772 F1773 | E1552-C1554 PolarHBondContact O-N 2.88Å; C1554-K1610 WeakPolarHBondContact O-CA 3.25Å; C1554-C1611 PolarHBondContact N-O 2.89Å; C1554-C1611 PolarHBondContact O-N 3.01Å; C1554-L1613 HydrophobicContact CB-CD1 4.39Å; C1554-I1772 HydrophobicContact CB-CG2 4.04Å; C1554-F1773 CarbonylContact C-O 3.57Å; C1554-F1773 WeakPolarHBondContact CA-O 3.41Å |
| 1555 | M | 95.3 | Very high | 89.9 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 17% | 0.172 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 126.5 | 160.3 | -171 | 69.1 | 69.2 | 0 | 0 | 108.1 | Q1608 K1610 F1773 T1775 | M1555-Q1608 HydrophobicContact CG-CG 3.93Å; M1555-Q1608 HydrophobicContact SD-CG 3.56Å; M1555-Q1608 VanDerWaalsContact SD-CG 3.56Å; M1555-Q1608 PolarHBondContact SD-NE2 2.95Å; M1555-K1610 HydrophobicContact CE-CD 4.38Å; M1555-K1610 HydrophobicContact CE-CG 3.82Å; M1555-K1610 HydrophobicContact SD-CG 3.93Å; M1555-F1773 HydrophobicContact CB-CB 4.41Å; M1555-F1773 PolarHBondContact N-O 3.43Å; M1555-F1773 PolarHBondContact O-N 3.05Å; M1555-T1775 HydrophobicContact CB-CG2 4.31Å |
| 1556 | L | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.6 | -174 | -169.6 | 135.9 | 0 | 0 | 0 | 109.4 | V1558 Q1608 M1609 L1619 L1642 V1770 I1772 | L1556-V1558 HydrophobicContact CD2-CG2 3.35Å; L1556-Q1608 WeakPolarHBondContact O-CA 3.17Å; L1556-M1609 HydrophobicContact CB-CG 4.49Å; L1556-M1609 HydrophobicContact CD2-CG 4.36Å; L1556-M1609 PolarHBondContact N-O 3.01Å; L1556-M1609 PolarHBondContact O-N 3.43Å; L1556-L1619 HydrophobicContact CD2-CD1 4.25Å; L1556-L1619 HydrophobicContact CD2-CD2 4.36Å; L1556-L1642 HydrophobicContact CD1-CD1 3.29Å; L1556-L1642 HydrophobicContact CD1-CD2 3.66Å; L1556-L1642 HydrophobicContact CD1-CG 4.05Å; L1556-V1770 HydrophobicContact CD1-CG1 4.12Å; L1556-V1770 HydrophobicContact CD2-CG1 4.07Å; L1556-V1770 HydrophobicContact CG-CG1 3.93Å; L1556-I1772 HydrophobicContact CD1-CG1 4.28Å |
| 1557 | R | 95.6 | Very high | 91.1 | Very high | 10 Ų | 10 | 30 Ų | 30 | 4% | 0.038 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 110.5 | 174.8 | -66.7 | -175 | 179.4 | 148.9 | -7.2 | 109.2 | Y1559 M1606 F1607 Q1608 V1770 D1771 F1773 G1781 | R1557-Y1559 HydrophobicContact CB-CD2 4.28Å; R1557-Y1559 HydrophobicContact CB-CE2 3.64Å; R1557-M1606 HydrophobicContact CB-CG 4.47Å; R1557-M1606 HydrophobicContact CB-SD 4.17Å; R1557-M1606 HydrophobicContact CG-SD 4Å; R1557-F1607 WeakPolarHBondContact CA-O 3.4Å; R1557-Q1608 HydrophobicContact CG-CB 4.25Å; R1557-Q1608 HydrophobicContact CG-CG 4Å; R1557-V1770 WeakPolarHBondContact O-CA 3.46Å; R1557-D1771 HydrophobicContact CB-CB 4.38Å; R1557-D1771 PolarHBondContact N-O 2.94Å; R1557-D1771 PolarHBondContact O-N 2.84Å; R1557-F1773 HydrophobicContact CG-CE2 4.24Å; R1557-G1781 VanDerWaalsContact CZ-O 3.28Å; R1557-G1781 PolarHBondContact NH1-O 2.92Å; R1557-G1781 PolarHBondContact NH2-O 3.03Å |
| 1558 | V | 96.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.6 | 171 | -166.2 | 0 | 0 | 0 | 0 | 108.7 | L1556 I1560 I1581 M1606 F1607 L1619 M1768 V1770 | L1556-V1558 HydrophobicContact CD2-CG2 3.35Å; V1558-I1560 HydrophobicContact CG1-CD1 3.52Å; V1558-I1560 HydrophobicContact CG1-CG1 4.13Å; V1558-I1581 HydrophobicContact CB-CD1 3.76Å; V1558-I1581 HydrophobicContact CG1-CD1 3.81Å; V1558-I1581 HydrophobicContact CG2-CD1 4.1Å; V1558-I1581 HydrophobicContact CG2-CG2 4.25Å; V1558-M1606 CarbonylContact O-C 3.5Å; V1558-M1606 WeakPolarHBondContact O-CA 3.45Å; V1558-F1607 PolarHBondContact N-O 3.15Å; V1558-F1607 PolarHBondContact O-N 3.31Å; V1558-L1619 HydrophobicContact CG2-CD1 4.08Å; V1558-L1619 HydrophobicContact CG2-CD2 3.75Å; V1558-M1768 HydrophobicContact CG1-CE 3.71Å; V1558-V1770 HydrophobicContact CG1-CG2 4.36Å |
| 1559 | Y | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.6 | 175.3 | -64 | -101.3 | 0 | 0 | 0 | 108.4 | R1557 M1606 M1768 W1769 D1771 P1783 F1784 I1786 | R1557-Y1559 HydrophobicContact CB-CD2 4.28Å; R1557-Y1559 HydrophobicContact CB-CE2 3.64Å; Y1559-M1606 HydrophobicContact CD1-CB 3.7Å; Y1559-M1606 HydrophobicContact CD1-CG 3.53Å; Y1559-M1606 HydrophobicContact CD2-CG 4.35Å; Y1559-M1606 HydrophobicContact CE1-CB 3.87Å; Y1559-M1606 HydrophobicContact CE1-CG 3.33Å; Y1559-M1606 HydrophobicContact CE2-CG 4.19Å; Y1559-M1606 HydrophobicContact CG-CB 4.4Å; Y1559-M1606 HydrophobicContact CG-CG 4.07Å; Y1559-M1768 CarbonylContact O-C 3.49Å; Y1559-M1768 WeakPolarHBondContact O-CA 3.17Å; Y1559-M1768 WeakPolarHBondContact O-CB 3.48Å; Y1559-W1769 AromaticContact CD1-CH2 3.75Å; Y1559-W1769 HydrophobicContact CD1-CH2 3.75Å; Y1559-W1769 AromaticContact CD1-CZ2 3.38Å; Y1559-W1769 HydrophobicContact CD1-CZ2 3.38Å; Y1559-W1769 AromaticContact CD2-CD1 3.9Å; Y1559-W1769 HydrophobicContact CD2-CD2 4.08Å; Y1559-W1769 AromaticContact CD2-CE2 3.34Å; Y1559-W1769 HydrophobicContact CD2-CG 4.4Å; Y1559-W1769 HydrophobicContact CD2-CH2 4.48Å; Y1559-W1769 AromaticContact CD2-CZ2 3.59Å; Y1559-W1769 HydrophobicContact CD2-CZ2 3.59Å; Y1559-W1769 AromaticContact CD2-NE1 3.19Å; Y1559-W1769 HydrophobicContact CE1-CH2 4.49Å; Y1559-W1769 AromaticContact CE1-CZ2 3.83Å; Y1559-W1769 HydrophobicContact CE1-CZ2 3.83Å; Y1559-W1769 AromaticContact CE2-CE2 3.9Å; Y1559-W1769 HydrophobicContact CE2-CZ2 4Å; Y1559-W1769 AromaticContact CE2-NE1 3.49Å; Y1559-W1769 HydrophobicContact CG-CD2 4.04Å; Y1559-W1769 AromaticContact CG-CE2 3.39Å; Y1559-W1769 HydrophobicContact CG-CE3 4.42Å; Y1559-W1769 AromaticContact CG-CH2 3.72Å; Y1559-W1769 HydrophobicContact CG-CH2 3.72Å; Y1559-W1769 AromaticContact CG-CZ2 3.22Å; Y1559-W1769 HydrophobicContact CG-CZ2 3.22Å; Y1559-W1769 HydrophobicContact CG-CZ3 4.28Å; Y1559-W1769 AromaticContact CG-NE1 3.8Å; Y1559-W1769 PolarHBondContact N-O 2.76Å; Y1559-W1769 PolarHBondContact O-N 2.68Å; Y1559-D1771 HydrophobicContact CE2-CB 4.44Å; Y1559-D1771 WeakPolarHBondContact CE2-OD2 3.36Å; Y1559-P1783 WeakPolarHBondContact OH-CA 3.49Å; Y1559-F1784 HydrophobicContact CE1-CB 4.14Å; Y1559-F1784 PolarHBondContact OH-N 2.99Å; Y1559-I1786 HydrophobicContact CD1-CD1 3.89Å; Y1559-I1786 HydrophobicContact CD1-CG1 4.23Å; Y1559-I1786 HydrophobicContact CD1-CG2 4.42Å; Y1559-I1786 HydrophobicContact CG-CD1 4.42Å |
| 1560 | I | 96.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 114.4 | 177.4 | -49.4 | -63.4 | 0 | 0 | 0 | 108.2 | V1558 V1579 I1581 F1603 G1604 K1605 F1607 V1621 L1766 M1768 | V1558-I1560 HydrophobicContact CG1-CD1 3.52Å; V1558-I1560 HydrophobicContact CG1-CG1 4.13Å; I1560-V1579 HydrophobicContact CG1-CG1 4.27Å; I1560-V1579 HydrophobicContact CG2-CG2 4.03Å; I1560-I1581 HydrophobicContact CD1-CD1 4.42Å; I1560-I1581 HydrophobicContact CG1-CD1 4.18Å; I1560-F1603 HydrophobicContact CG2-CB 4.3Å; I1560-F1603 HydrophobicContact CG2-CD2 3.68Å; I1560-F1603 HydrophobicContact CG2-CE2 4.37Å; I1560-F1603 HydrophobicContact CG2-CG 4.29Å; I1560-G1604 PolarHBondContact O-N 2.93Å; I1560-K1605 PolarHBondContact N-O 3.07Å; I1560-K1605 PolarHBondContact O-N 2.93Å; I1560-F1607 HydrophobicContact CG1-CD2 4.32Å; I1560-F1607 HydrophobicContact CG1-CE2 4.09Å; I1560-V1621 HydrophobicContact CD1-CG1 3.9Å; I1560-L1766 HydrophobicContact CD1-CD2 4.26Å; I1560-L1766 HydrophobicContact CG2-CD1 3.76Å; I1560-L1766 HydrophobicContact CG2-CD2 4.5Å; I1560-L1766 HydrophobicContact CG2-CG 4.31Å; I1560-M1768 HydrophobicContact CD1-CB 3.78Å; I1560-M1768 HydrophobicContact CD1-CE 4.15Å; I1560-M1768 HydrophobicContact CD1-SD 4.01Å |
| 1561 | I | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -64.9 | -174.4 | -53.6 | 159.8 | 0 | 0 | 0 | 108.8 | W1453 W1454 F1457 E1602 F1603 G1604 V1748 Q1767 W1769 | W1453-I1561 HydrophobicContact CH2-CD1 3.82Å; W1453-I1561 HydrophobicContact CH2-CG1 3.81Å; W1453-I1561 HydrophobicContact CH2-CG2 4.15Å; W1453-I1561 HydrophobicContact CZ2-CD1 4.43Å; W1453-I1561 HydrophobicContact CZ3-CG1 4.49Å; W1453-I1561 HydrophobicContact CZ3-CG2 4.23Å; W1454-I1561 HydrophobicContact CH2-CG2 3.59Å; W1454-I1561 HydrophobicContact CZ2-CG2 4.44Å; W1454-I1561 HydrophobicContact CZ3-CG2 3.89Å; F1457-I1561 HydrophobicContact CD2-CD1 4.48Å; F1457-I1561 HydrophobicContact CE2-CD1 4.08Å; F1457-I1561 HydrophobicContact CZ-CG2 4.35Å; I1561-E1602 CarbonylContact O-C 3.52Å; I1561-F1603 PolarHBondContact O-N 2.91Å; I1561-G1604 PolarHBondContact O-N 2.86Å; I1561-V1748 HydrophobicContact CD1-CB 4.08Å; I1561-V1748 HydrophobicContact CD1-CG1 3.35Å; I1561-V1748 HydrophobicContact CD1-CG2 3.52Å; I1561-Q1767 HydrophobicContact CB-CB 4.45Å; I1561-Q1767 WeakPolarHBondContact CB-O 3.45Å; I1561-Q1767 HydrophobicContact CD1-CB 4.28Å; I1561-Q1767 PolarHBondContact N-O 2.91Å; I1561-W1769 HydrophobicContact CD1-CE3 3.99Å; I1561-W1769 HydrophobicContact CD1-CZ3 3.78Å; I1561-W1769 HydrophobicContact CG1-CE3 4.22Å; I1561-W1769 HydrophobicContact CG1-CZ3 3.73Å |
| 1562 | R | 94.9 | Very high | 88.3 | Confident | 47 Ų | 47 | 25.8 Ų | 25.8 | 18% | 0.177 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 155 | -176.7 | 64 | -178.8 | 178.7 | 179.3 | 2.3 | 111.7 | I1564 P1601 E1602 Q1767 | R1562-I1564 HydrophobicContact CG-CG1 4.45Å; R1562-P1601 CarbonylContact C-O 3.56Å; R1562-P1601 WeakPolarHBondContact CA-O 3.41Å; R1562-P1601 WeakPolarHBondContact CB-O 3.32Å; R1562-E1602 HydrophobicContact CB-CG 4.24Å; R1562-Q1767 HydrophobicContact CG-CB 4.27Å; R1562-Q1767 VanDerWaalsContact NH2-OE1 3.13Å; R1562-Q1767 PolarHBondContact O-N 2.71Å |
| 1563 | A | 95.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 159.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1566 N1600 P1601 F1603 K1765 L1766 | A1563-L1566 HydrophobicContact CB-CD1 3.86Å; A1563-L1566 HydrophobicContact CB-CD2 3.67Å; A1563-L1566 HydrophobicContact CB-CG 3.68Å; A1563-N1600 CarbonylContact O-C 3.52Å; A1563-N1600 WeakPolarHBondContact O-CA 3.49Å; A1563-P1601 HydrophobicContact CB-CG 3.82Å; A1563-P1601 PolarHBondContact N-O 3.13Å; A1563-F1603 HydrophobicContact CB-CE2 3.92Å; A1563-K1765 CarbonylContact C-O 3.58Å; A1563-K1765 WeakPolarHBondContact CA-O 3.48Å; A1563-K1765 WeakPolarHBondContact CB-O 3.31Å; A1563-L1766 HydrophobicContact CB-CD1 3.9Å |
| 1564 | I | 89.7 | Confident | 86.5 | Confident | 39 Ų | 39 | 20.4 Ų | 20.4 | 20% | 0.2 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.9 | -177.4 | -52.7 | 175.2 | 0 | 0 | 0 | 107.8 | R1562 L1566 N1600 K1765 Q1767 | R1562-I1564 HydrophobicContact CG-CG1 4.45Å; I1564-L1566 VanDerWaalsContact C-N 3.3Å; I1564-L1566 PolarHBondContact O-N 2.85Å; I1564-N1600 WeakPolarHBondContact CA-OD1 3.35Å; I1564-K1765 HydrophobicContact CB-CB 4.47Å; I1564-K1765 PolarHBondContact N-O 3.39Å; I1564-K1765 PolarHBondContact O-N 3.13Å; I1564-Q1767 HydrophobicContact CD1-CG 3.92Å |
| 1565 | D | 84.5 | Confident | 86 | Confident | 77 Ų | 77 | 20.4 Ų | 20.4 | 41% | 0.412 | 12% | 0.116 | S | C | . | . | S | Bend | trans | 49.4 | 44.8 | 176.9 | -52.5 | -33.4 | 0 | 0 | 0 | 114.1 | L1599 N1600 G1764 | D1565-L1599 PolarHBondContact N-O 2.7Å; D1565-N1600 PolarHBondContact N-OD1 3.18Å; D1565-G1764 VanDerWaalsContact O-CA 3.23Å; D1565-G1764 WeakPolarHBondContact O-CA 3.47Å |
| 1566 | L | 87.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 151.2 | 173 | -70.2 | 180 | 0 | 0 | 0 | 111.4 | N253 A1563 I1564 P1568 P1577 L1599 P1601 V1623 I1635 L1753 | N253-L1566 PolarHBondContact ND2-O 3.18Å; A1563-L1566 HydrophobicContact CB-CD1 3.86Å; A1563-L1566 HydrophobicContact CB-CD2 3.67Å; A1563-L1566 HydrophobicContact CB-CG 3.68Å; I1564-L1566 VanDerWaalsContact C-N 3.3Å; I1564-L1566 PolarHBondContact O-N 2.85Å; L1566-P1568 WeakPolarHBondContact O-CD 3.49Å; L1566-P1577 HydrophobicContact CD1-CB 3.77Å; L1566-P1577 HydrophobicContact CD1-CG 4.07Å; L1566-L1599 HydrophobicContact CB-CB 4.33Å; L1566-L1599 HydrophobicContact CB-CD2 4.38Å; L1566-L1599 WeakPolarHBondContact CB-O 3.47Å; L1566-L1599 PolarHBondContact N-O 2.92Å; L1566-L1599 WeakPolarHBondContact O-CD2 3.09Å; L1566-P1601 HydrophobicContact CD1-CG 3.7Å; L1566-V1623 HydrophobicContact CD1-CG1 3.86Å; L1566-V1623 HydrophobicContact CD2-CB 4.48Å; L1566-V1623 HydrophobicContact CD2-CG1 4.15Å; L1566-I1635 HydrophobicContact CB-CG2 4.29Å; L1566-I1635 HydrophobicContact CD1-CD1 4.3Å; L1566-I1635 HydrophobicContact CD2-CG2 4.24Å; L1566-L1753 HydrophobicContact CD2-CD1 3.62Å |
| 1567 | Q | 80.2 | Confident | 85.7 | Confident | 14 Ų | 14 | 19.4 Ų | 19.4 | 7% | 0.065 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 128.1 | 171 | 170.2 | 158 | 53.5 | 0 | 0 | 111.4 | S1569 I1635 Q1763 | Q1567-S1569 PolarHBondContact O-N 2.66Å; Q1567-S1569 PolarHBondContact O-OG 2.79Å; Q1567-I1635 HydrophobicContact CB-CG2 4Å; Q1567-I1635 WeakPolarHBondContact O-CG2 3.17Å; Q1567-Q1763 HydrophobicContact CB-CB 4.23Å; Q1567-Q1763 PolarHBondContact N-O 3.43Å |
| 1568 | P | 79.3 | Confident | 85.7 | Confident | 16 Ų | 16 | 19.1 Ų | 19.1 | 10% | 0.104 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -47.1 | 127.9 | 161.4 | -37.4 | 44.5 | 0 | 0 | 0 | 113 | Q204 N253 L1566 G1573 L1574 L1599 | Q204-P1568 HydrophobicContact CB-CB 4.25Å; Q204-P1568 HydrophobicContact CB-CG 3.93Å; N253-P1568 WeakPolarHBondContact OD1-CD 3.23Å; L1566-P1568 WeakPolarHBondContact O-CD 3.49Å; P1568-G1573 WeakPolarHBondContact CB-O 3.42Å; P1568-G1573 WeakPolarHBondContact CG-O 3.27Å; P1568-L1574 WeakPolarHBondContact CA-O 2.88Å; P1568-L1599 HydrophobicContact CG-CD1 3.74Å; P1568-L1599 HydrophobicContact CG-CD2 3.96Å; P1568-L1599 HydrophobicContact CG-CG 4.49Å |
| 1569 | S | 79.2 | Confident | 85.7 | Confident | 44 Ų | 44 | 19.1 Ų | 19.1 | 31% | 0.308 | 11% | 0.11 | S | C | . | . | trans | -127.7 | -19.1 | 172.1 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | Q1567 L1574 D1625 | Q1567-S1569 PolarHBondContact O-N 2.66Å; Q1567-S1569 PolarHBondContact O-OG 2.79Å; S1569-L1574 PolarHBondContact N-O 3.35Å; S1569-D1625 VanDerWaalsContact CB-OD2 3.24Å; S1569-D1625 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 1570 | D | 76.3 | Confident | 85.6 | Confident | 29 Ų | 29 | 19.4 Ų | 19.4 | 16% | 0.155 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -89.5 | 161.8 | -173.8 | -165.8 | 11.6 | 0 | 0 | 0 | 114 | S1572 G1573 L1574 D1625 | D1570-S1572 WeakPolarHBondContact CB-OG 3.45Å; D1570-S1572 PolarHBondContact O-N 2.76Å; D1570-S1572 PolarHBondContact OD2-OG 2.73Å; D1570-G1573 WeakPolarHBondContact O-CA 3.3Å; D1570-G1573 PolarHBondContact O-N 3.05Å; D1570-L1574 WeakPolarHBondContact CB-O 3.48Å; D1570-L1574 PolarHBondContact N-O 3.22Å; D1570-D1625 WeakPolarHBondContact CB-OD2 3.45Å; D1570-D1625 PolarHBondContact N-OD2 3.21Å; D1570-D1625 VanDerWaalsContact N-OD2 3.17Å |
| 1571 | S | 66.9 | Low | 85.5 | Confident | 82 Ų | 82 | 19.4 Ų | 19.4 | 57% | 0.573 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 11 | 173.1 | 70.8 | 0 | 0 | 0 | 0 | 114.5 | P330 | P330-S1571 WeakPolarHBondContact CA-O 3.26Å; P330-S1571 WeakPolarHBondContact CB-O 3.28Å; P330-S1571 WeakPolarHBondContact CG-O 3.37Å |
| 1572 | S | 67 | Low | 85.5 | Confident | 21 Ų | 21 | 21.3 Ų | 21.3 | 15% | 0.147 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -20 | 156.7 | 54.8 | 0 | 0 | 0 | 0 | 112 | D202 D1570 L1574 | D202-S1572 WeakPolarHBondContact CB-O 3.41Å; D202-S1572 PolarHBondContact N-O 3.47Å; D1570-S1572 WeakPolarHBondContact CB-OG 3.45Å; D1570-S1572 PolarHBondContact O-N 2.76Å; D1570-S1572 PolarHBondContact OD2-OG 2.73Å; S1572-L1574 VanDerWaalsContact C-N 3.26Å; S1572-L1574 WeakPolarHBondContact OG-CB 3.46Å; S1572-L1574 PolarHBondContact OG-N 3.49Å |
| 1573 | G | 66.9 | Low | 85.5 | Confident | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 79.6 | 3.1 | -161.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D202 P1568 D1570 | D202-G1573 WeakPolarHBondContact CB-O 3.17Å; P1568-G1573 WeakPolarHBondContact CB-O 3.42Å; P1568-G1573 WeakPolarHBondContact CG-O 3.27Å; D1570-G1573 WeakPolarHBondContact O-CA 3.3Å; D1570-G1573 PolarHBondContact O-N 3.05Å |
| 1574 | L | 81.2 | Confident | 85.1 | Confident | 12 Ų | 12 | 20.6 Ų | 20.6 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -93.4 | -157.3 | 171.6 | -68.3 | 160.3 | 0 | 0 | 0 | 108.3 | D202 P1568 S1569 D1570 S1572 N1597 L1599 | D202-L1574 HydrophobicContact CB-CD2 4.12Å; D202-L1574 HydrophobicContact CB-CG 3.89Å; D202-L1574 WeakPolarHBondContact OD1-CD2 3.29Å; D202-L1574 WeakPolarHBondContact OD2-CD1 3.27Å; D202-L1574 WeakPolarHBondContact OD2-CD2 3.18Å; D202-L1574 WeakPolarHBondContact OD2-CG 3.35Å; P1568-L1574 WeakPolarHBondContact CA-O 2.88Å; S1569-L1574 PolarHBondContact N-O 3.35Å; D1570-L1574 WeakPolarHBondContact CB-O 3.48Å; D1570-L1574 PolarHBondContact N-O 3.22Å; S1572-L1574 VanDerWaalsContact C-N 3.26Å; S1572-L1574 WeakPolarHBondContact OG-CB 3.46Å; S1572-L1574 PolarHBondContact OG-N 3.49Å; L1574-N1597 HydrophobicContact CD1-CB 3.43Å; L1574-N1597 VanDerWaalsContact CD1-CB 3.43Å; L1574-L1599 HydrophobicContact CD2-CD1 4.48Å; L1574-L1599 HydrophobicContact CD2-CD2 4.48Å; L1574-L1599 HydrophobicContact CD2-CG 3.9Å |
| 1575 | A | 85.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -130 | 166.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | P1577 N1597 T1598 D1625 I1635 | A1575-P1577 WeakPolarHBondContact O-CD 3.36Å; A1575-N1597 CarbonylContact O-C 3.51Å; A1575-N1597 WeakPolarHBondContact O-CA 3.13Å; A1575-N1597 PolarHBondContact O-N 3.31Å; A1575-T1598 PolarHBondContact O-N 2.73Å; A1575-D1625 VanDerWaalsContact CA-OD2 3.3Å; A1575-D1625 WeakPolarHBondContact CA-OD2 3.36Å; A1575-D1625 HydrophobicContact CB-CB 4.35Å; A1575-D1625 VanDerWaalsContact CB-OD2 3.23Å; A1575-D1625 WeakPolarHBondContact CB-OD2 3.44Å; A1575-I1635 HydrophobicContact CB-CD1 3.46Å; A1575-I1635 VanDerWaalsContact CB-CD1 3.46Å | ||
| 1576 | D | 89.7 | Confident | 85 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | trans | -99.8 | 60.3 | 162.1 | -81.5 | -2.3 | 0 | 0 | 0 | 109.3 | Y1594 L1595 P1596 N1597 D1625 Y1626 | D1576-Y1594 HydrophobicContact CB-CD2 3.68Å; D1576-Y1594 HydrophobicContact CB-CE2 4Å; D1576-Y1594 WeakPolarHBondContact OD2-CE2 3.32Å; D1576-L1595 CarbonylContact C-O 3.52Å; D1576-L1595 WeakPolarHBondContact CA-O 3.45Å; D1576-P1596 WeakPolarHBondContact OD1-CA 3.42Å; D1576-N1597 PolarHBondContact OD1-N 2.82Å; D1576-N1597 PolarHBondContact OD1-ND2 2.77Å; D1576-D1625 WeakPolarHBondContact CA-OD1 3.46Å; D1576-D1625 PolarHBondContact N-OD1 3.09Å; D1576-Y1626 PolarHBondContact O-N 2.94Å | ||
| 1577 | P | 94.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -66.4 | 141.6 | -162.5 | 27.2 | -39.6 | 0 | 0 | 0 | 114.8 | L1566 A1575 L1595 T1598 P1601 F1603 V1623 K1624 I1635 | L1566-P1577 HydrophobicContact CD1-CB 3.77Å; L1566-P1577 HydrophobicContact CD1-CG 4.07Å; A1575-P1577 WeakPolarHBondContact O-CD 3.36Å; P1577-L1595 WeakPolarHBondContact CD-O 2.94Å; P1577-L1595 PolarHBondContact O-N 2.75Å; P1577-T1598 VanDerWaalsContact CD-O 3.27Å; P1577-T1598 WeakPolarHBondContact CD-O 3.34Å; P1577-T1598 HydrophobicContact CG-CG2 3.98Å; P1577-T1598 WeakPolarHBondContact CG-O 3.44Å; P1577-P1601 HydrophobicContact CB-CG 4.13Å; P1577-P1601 HydrophobicContact CG-CB 3.75Å; P1577-P1601 HydrophobicContact CG-CG 3.61Å; P1577-F1603 HydrophobicContact CB-CE1 4.33Å; P1577-F1603 HydrophobicContact CB-CZ 4.16Å; P1577-V1623 HydrophobicContact CB-CG1 4.07Å; P1577-K1624 CarbonylContact C-O 3.49Å; P1577-K1624 VanDerWaalsContact CA-O 3.26Å; P1577-K1624 WeakPolarHBondContact CA-O 3.41Å; P1577-I1635 HydrophobicContact CB-CD1 4.28Å | ||
| 1578 | Y | 95.5 | Very high | 85.8 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 162.3 | 163.5 | 73.2 | -89.2 | 0 | 0 | 0 | 111.4 | E1580 N1589 K1591 K1624 D1625 D1632 | Y1578-E1580 HydrophobicContact CE2-CB 4.35Å; Y1578-N1589 HydrophobicContact CD2-CB 4.14Å; Y1578-N1589 HydrophobicContact CE2-CB 3.95Å; Y1578-K1591 HydrophobicContact CD1-CB 4.4Å; Y1578-K1591 HydrophobicContact CD2-CB 3.92Å; Y1578-K1591 HydrophobicContact CE1-CB 4.29Å; Y1578-K1591 HydrophobicContact CE1-CD 4.38Å; Y1578-K1591 HydrophobicContact CE1-CG 4.19Å; Y1578-K1591 HydrophobicContact CE2-CB 3.82Å; Y1578-K1591 HydrophobicContact CG-CB 4.2Å; Y1578-K1624 HydrophobicContact CD1-CB 4.22Å; Y1578-K1624 HydrophobicContact CE1-CB 3.7Å; Y1578-K1624 HydrophobicContact CE2-CB 4.09Å; Y1578-K1624 HydrophobicContact CE2-CD 4.17Å; Y1578-K1624 PolarHBondContact N-O 3.33Å; Y1578-K1624 PolarHBondContact O-N 3.11Å; Y1578-K1624 WeakPolarHBondContact OH-CD 3.29Å; Y1578-D1625 WeakPolarHBondContact CE1-O 3.42Å; Y1578-D1632 HydrophobicContact CE1-CB 4.39Å; Y1578-D1632 WeakPolarHBondContact CE1-OD2 3.46Å; Y1578-D1632 VanDerWaalsContact CZ-OD2 3.23Å; Y1578-D1632 PolarHBondContact OH-OD2 3.32Å |
| 1579 | V | 95.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.8 | 179.5 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | I1560 I1581 N1589 S1590 F1603 F1607 V1621 I1622 | I1560-V1579 HydrophobicContact CG1-CG1 4.27Å; I1560-V1579 HydrophobicContact CG2-CG2 4.03Å; V1579-I1581 HydrophobicContact CG1-CD1 4.43Å; V1579-I1581 HydrophobicContact CG1-CG1 3.91Å; V1579-N1589 CarbonylContact O-C 3.58Å; V1579-N1589 WeakPolarHBondContact O-CA 3.38Å; V1579-N1589 WeakPolarHBondContact O-CB 3.45Å; V1579-S1590 PolarHBondContact N-OG 2.83Å; V1579-S1590 PolarHBondContact O-N 2.73Å; V1579-F1603 HydrophobicContact CG2-CD1 3.79Å; V1579-F1603 HydrophobicContact CG2-CD2 3.8Å; V1579-F1603 HydrophobicContact CG2-CE1 3.68Å; V1579-F1603 HydrophobicContact CG2-CE2 3.66Å; V1579-F1603 HydrophobicContact CG2-CG 3.84Å; V1579-F1603 HydrophobicContact CG2-CZ 3.6Å; V1579-F1607 HydrophobicContact CB-CZ 4.45Å; V1579-V1621 HydrophobicContact CG1-CG1 4.02Å; V1579-I1622 WeakPolarHBondContact CA-O 3.48Å |
| 1580 | E | 95.7 | Very high | 86.9 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.9 | 168.5 | 178.3 | 171.4 | 114.9 | 0 | 0 | 108.8 | Y1578 I1582 K1587 N1589 I1622 K1624 | Y1578-E1580 HydrophobicContact CE2-CB 4.35Å; E1580-I1582 HydrophobicContact CG-CD1 4.48Å; E1580-I1582 HydrophobicContact CG-CG1 4.22Å; E1580-K1587 HydrophobicContact CG-CG 4.5Å; E1580-K1587 WeakPolarHBondContact OE1-CE 3.16Å; E1580-K1587 IonicContact OE1-NZ 2.68Å; E1580-K1587 PolarHBondContact OE1-NZ 2.98Å; E1580-K1587 WeakPolarHBondContact OE2-CE 3.24Å; E1580-K1587 IonicContact OE2-NZ 3.68Å; E1580-K1587 PolarHBondContact OE2-NZ 3.34Å; E1580-N1589 HydrophobicContact CB-CB 3.95Å; E1580-N1589 HydrophobicContact CG-CB 4.16Å; E1580-I1622 HydrophobicContact CB-CB 4.34Å; E1580-I1622 PolarHBondContact N-O 2.91Å; E1580-I1622 PolarHBondContact O-N 3.01Å; E1580-K1624 WeakPolarHBondContact OE1-CE 3.39Å; E1580-K1624 IonicContact OE1-NZ 3.77Å; E1580-K1624 PolarHBondContact OE1-NZ 3.4Å; E1580-K1624 IonicContact OE2-NZ 3.13Å; E1580-K1624 PolarHBondContact OE2-NZ 2.92Å |
| 1581 | I | 95.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.6 | -180 | -55.9 | -173.5 | 0 | 0 | 0 | 108.4 | V1558 I1560 V1579 K1587 V1588 F1607 M1609 L1619 H1620 | V1558-I1581 HydrophobicContact CB-CD1 3.76Å; V1558-I1581 HydrophobicContact CG1-CD1 3.81Å; V1558-I1581 HydrophobicContact CG2-CD1 4.1Å; V1558-I1581 HydrophobicContact CG2-CG2 4.25Å; I1560-I1581 HydrophobicContact CD1-CD1 4.42Å; I1560-I1581 HydrophobicContact CG1-CD1 4.18Å; V1579-I1581 HydrophobicContact CG1-CD1 4.43Å; V1579-I1581 HydrophobicContact CG1-CG1 3.91Å; I1581-K1587 WeakPolarHBondContact O-CA 3.43Å; I1581-V1588 HydrophobicContact CB-CG2 4.05Å; I1581-V1588 PolarHBondContact N-O 2.92Å; I1581-V1588 PolarHBondContact O-N 3.24Å; I1581-F1607 HydrophobicContact CD1-CB 3.97Å; I1581-F1607 HydrophobicContact CD1-CD1 4.4Å; I1581-F1607 HydrophobicContact CD1-CD2 3.34Å; I1581-F1607 HydrophobicContact CD1-CE2 3.8Å; I1581-F1607 HydrophobicContact CD1-CG 3.67Å; I1581-F1607 HydrophobicContact CD1-CZ 4.49Å; I1581-F1607 HydrophobicContact CG1-CD2 4.41Å; I1581-M1609 HydrophobicContact CB-CE 4.31Å; I1581-M1609 HydrophobicContact CG2-CE 3.82Å; I1581-M1609 HydrophobicContact CG2-SD 4.24Å; I1581-L1619 HydrophobicContact CG2-CD1 3.47Å; I1581-L1619 VanDerWaalsContact CG2-CD1 3.47Å; I1581-H1620 WeakPolarHBondContact CA-O 3.21Å |
| 1582 | I | 95.3 | Very high | 88.3 | Confident | 39 Ų | 39 | 38.9 Ų | 38.9 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.1 | -179.8 | -47.7 | 179.5 | 0 | 0 | 0 | 108.9 | E1580 H1586 K1587 H1620 I1622 | E1580-I1582 HydrophobicContact CG-CD1 4.48Å; E1580-I1582 HydrophobicContact CG-CG1 4.22Å; I1582-H1586 WeakPolarHBondContact CA-O 3.32Å; I1582-K1587 HydrophobicContact CD1-CD 4.31Å; I1582-K1587 HydrophobicContact CG1-CB 4.49Å; I1582-K1587 HydrophobicContact CG1-CD 4.37Å; I1582-K1587 HydrophobicContact CG1-CG 4.23Å; I1582-H1620 HydrophobicContact CB-CB 4.26Å; I1582-H1620 PolarHBondContact N-O 2.85Å; I1582-H1620 PolarHBondContact O-N 2.82Å; I1582-I1622 HydrophobicContact CD1-CD1 3.83Å; I1582-I1622 HydrophobicContact CG1-CD1 4.46Å |
| 1583 | V | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 114.1 | 168.5 | 66.8 | 0 | 0 | 0 | 0 | 108.4 | Q1585 H1586 M1609 C1611 E1616 L1619 L1642 | V1583-Q1585 PolarHBondContact O-N 2.7Å; V1583-Q1585 VanDerWaalsContact O-N 3.12Å; V1583-H1586 HydrophobicContact CG1-CB 4.07Å; V1583-H1586 PolarHBondContact N-O 2.88Å; V1583-H1586 WeakPolarHBondContact O-CB 3.44Å; V1583-H1586 PolarHBondContact O-N 2.83Å; V1583-M1609 HydrophobicContact CG1-CG 3.92Å; V1583-M1609 HydrophobicContact CG1-SD 3.43Å; V1583-M1609 WeakPolarHBondContact CG1-SD 3.46Å; V1583-C1611 HydrophobicContact CG1-CB 4.14Å; V1583-C1611 HydrophobicContact CG2-CB 3.78Å; V1583-E1616 HydrophobicContact CG2-CB 4.19Å; V1583-E1616 VanDerWaalsContact CG2-O 3.3Å; V1583-E1616 WeakPolarHBondContact CG2-O 3.25Å; V1583-L1619 HydrophobicContact CB-CD1 4.06Å; V1583-L1642 HydrophobicContact CG2-CD1 3.86Å |
| 1584 | G | 87.9 | Confident | 90.1 | Very high | 33 Ų | 33 | 46 Ų | 46 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -113.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1616 | G1584-E1616 WeakPolarHBondContact CA-OE1 3.38Š|
| 1585 | Q | 84.4 | Confident | 90.3 | Very high | 177 Ų | 177 | 47.9 Ų | 47.9 | 83% | 0.827 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | -6.8 | 173.5 | -61.6 | -60.2 | -87.1 | 0 | 0 | 114 | V1583 E1616 | V1583-Q1585 PolarHBondContact O-N 2.7Å; V1583-Q1585 VanDerWaalsContact O-N 3.12Å; Q1585-E1616 PolarHBondContact N-OE1 3.44Å |
| 1586 | H | 88.3 | Confident | 90.2 | Very high | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121 | 177.7 | -70.2 | -74.2 | 0 | 0 | 0 | 110.3 | I1582 V1583 K1610 | I1582-H1586 WeakPolarHBondContact CA-O 3.32Å; V1583-H1586 HydrophobicContact CG1-CB 4.07Å; V1583-H1586 PolarHBondContact N-O 2.88Å; V1583-H1586 WeakPolarHBondContact O-CB 3.44Å; V1583-H1586 PolarHBondContact O-N 2.83Å; H1586-K1610 PolarHBondContact CD2-O 2.85Å |
| 1587 | K | 91.7 | Very high | 89.8 | Confident | 113 Ų | 113 | 51.1 Ų | 51.1 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.4 | 174.9 | 172.3 | 167.9 | 169.4 | 152 | 0 | 109 | E1580 I1581 I1582 | E1580-K1587 HydrophobicContact CG-CG 4.5Å; E1580-K1587 WeakPolarHBondContact OE1-CE 3.16Å; E1580-K1587 IonicContact OE1-NZ 2.68Å; E1580-K1587 PolarHBondContact OE1-NZ 2.98Å; E1580-K1587 WeakPolarHBondContact OE2-CE 3.24Å; E1580-K1587 IonicContact OE2-NZ 3.68Å; E1580-K1587 PolarHBondContact OE2-NZ 3.34Å; I1581-K1587 WeakPolarHBondContact O-CA 3.43Å; I1582-K1587 HydrophobicContact CD1-CD 4.31Å; I1582-K1587 HydrophobicContact CG1-CB 4.49Å; I1582-K1587 HydrophobicContact CG1-CD 4.37Å; I1582-K1587 HydrophobicContact CG1-CG 4.23Å |
| 1588 | V | 91.9 | Very high | 89.3 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.6 | 174 | -65.6 | 0 | 0 | 0 | 0 | 108.9 | I1581 F1607 M1609 | I1581-V1588 HydrophobicContact CB-CG2 4.05Å; I1581-V1588 PolarHBondContact N-O 2.92Å; I1581-V1588 PolarHBondContact O-N 3.24Å; V1588-F1607 HydrophobicContact CB-CD1 4.34Å; V1588-F1607 HydrophobicContact CG2-CB 4.31Å; V1588-F1607 HydrophobicContact CG2-CD1 3.68Å; V1588-F1607 HydrophobicContact CG2-CE1 4.38Å; V1588-F1607 HydrophobicContact CG2-CG 4.32Å; V1588-M1609 HydrophobicContact CG2-CE 3.55Å; V1588-M1609 HydrophobicContact CG2-SD 4.49Å |
| 1589 | N | 91 | Very high | 88.9 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 169.1 | 173.1 | 67.6 | 35.1 | 0 | 0 | 0 | 110.5 | Y1578 V1579 E1580 K1591 | Y1578-N1589 HydrophobicContact CD2-CB 4.14Å; Y1578-N1589 HydrophobicContact CE2-CB 3.95Å; V1579-N1589 CarbonylContact O-C 3.58Å; V1579-N1589 WeakPolarHBondContact O-CA 3.38Å; V1579-N1589 WeakPolarHBondContact O-CB 3.45Å; E1580-N1589 HydrophobicContact CB-CB 3.95Å; E1580-N1589 HydrophobicContact CG-CB 4.16Å; N1589-K1591 WeakPolarHBondContact OD1-CB 3.42Å; N1589-K1591 PolarHBondContact OD1-N 3.23Å |
| 1590 | S | 90.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | -110 | 31.2 | 173.4 | 75.8 | 0 | 0 | 0 | 0 | 112.8 | V1579 D1592 K1593 Y1594 | V1579-S1590 PolarHBondContact N-OG 2.83Å; V1579-S1590 PolarHBondContact O-N 2.73Å; S1590-D1592 PolarHBondContact O-N 2.77Å; S1590-K1593 CarbonylContact O-C 3.57Å; S1590-K1593 WeakPolarHBondContact O-CA 3.48Å; S1590-K1593 PolarHBondContact O-N 3.27Å; S1590-Y1594 PolarHBondContact O-N 3.07Å | ||
| 1591 | K | 88.5 | Confident | 88.4 | Confident | 64 Ų | 64 | 57 Ų | 57 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.1 | -28.2 | -175.6 | 178.1 | 172.3 | 169.7 | 132.1 | 0 | 112.7 | Y1578 N1589 K1593 Y1594 Y1626 D1632 | Y1578-K1591 HydrophobicContact CD1-CB 4.4Å; Y1578-K1591 HydrophobicContact CD2-CB 3.92Å; Y1578-K1591 HydrophobicContact CE1-CB 4.29Å; Y1578-K1591 HydrophobicContact CE1-CD 4.38Å; Y1578-K1591 HydrophobicContact CE1-CG 4.19Å; Y1578-K1591 HydrophobicContact CE2-CB 3.82Å; Y1578-K1591 HydrophobicContact CG-CB 4.2Å; N1589-K1591 WeakPolarHBondContact OD1-CB 3.42Å; N1589-K1591 PolarHBondContact OD1-N 3.23Å; K1591-K1593 PolarHBondContact O-N 3.24Å; K1591-Y1594 WeakPolarHBondContact O-CD1 3.16Å; K1591-Y1626 HydrophobicContact CD-CD2 4.24Å; K1591-Y1626 VanDerWaalsContact CE-CD2 3.46Å; K1591-Y1626 HydrophobicContact CG-CD2 4.06Å; K1591-Y1626 HydrophobicContact CG-CE2 4.48Å; K1591-D1632 WeakPolarHBondContact CD-OD2 3.45Å; K1591-D1632 WeakPolarHBondContact CE-OD2 3.4Å; K1591-D1632 IonicContact NZ-OD1 3.74Å; K1591-D1632 PolarHBondContact NZ-OD1 3.02Å; K1591-D1632 IonicContact NZ-OD2 3.51Å; K1591-D1632 PolarHBondContact NZ-OD2 3.11Å |
| 1592 | D | 84.5 | Confident | 88.1 | Confident | 123 Ų | 123 | 58.8 Ų | 58.8 | 66% | 0.658 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -65.2 | -15.6 | 173.3 | 71.1 | -43 | 0 | 0 | 0 | 113.8 | S1590 | S1590-D1592 PolarHBondContact O-N 2.77Š|
| 1593 | K | 83 | Confident | 88 | Confident | 131 Ų | 131 | 57.2 Ų | 57.2 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -143.7 | 52.5 | -175.8 | -63.9 | 173.9 | -169 | -177.8 | 0 | 109.3 | S1590 K1591 K1605 | S1590-K1593 CarbonylContact O-C 3.57Å; S1590-K1593 WeakPolarHBondContact O-CA 3.48Å; S1590-K1593 PolarHBondContact O-N 3.27Å; K1591-K1593 PolarHBondContact O-N 3.24Å; K1593-K1605 PolarHBondContact O-NZ 2.87Å |
| 1594 | Y | 88.4 | Confident | 87.9 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | trans | -61.1 | 158.4 | 166 | 67.9 | -87.6 | 0 | 0 | 0 | 110 | D1576 S1590 K1591 P1596 Y1626 D1878 | D1576-Y1594 HydrophobicContact CB-CD2 3.68Å; D1576-Y1594 HydrophobicContact CB-CE2 4Å; D1576-Y1594 WeakPolarHBondContact OD2-CE2 3.32Å; S1590-Y1594 PolarHBondContact O-N 3.07Å; K1591-Y1594 WeakPolarHBondContact O-CD1 3.16Å; Y1594-P1596 HydrophobicContact CD2-CB 4.31Å; Y1594-P1596 HydrophobicContact CE2-CB 3.96Å; Y1594-Y1626 AromaticContact CD1-CD1 3.65Å; Y1594-Y1626 HydrophobicContact CD1-CD1 3.65Å; Y1594-Y1626 HydrophobicContact CD1-CD2 4.49Å; Y1594-Y1626 HydrophobicContact CD1-CE1 4.12Å; Y1594-Y1626 AromaticContact CD1-CG 3.86Å; Y1594-Y1626 HydrophobicContact CD1-CG 3.86Å; Y1594-Y1626 AromaticContact CD2-CD1 3.9Å; Y1594-Y1626 HydrophobicContact CD2-CD1 3.9Å; Y1594-Y1626 HydrophobicContact CD2-CG 4.35Å; Y1594-Y1626 AromaticContact CE1-CD1 3.34Å; Y1594-Y1626 HydrophobicContact CE1-CD1 3.34Å; Y1594-Y1626 AromaticContact CE1-CE1 3.41Å; Y1594-Y1626 HydrophobicContact CE1-CE1 3.41Å; Y1594-Y1626 VanDerWaalsContact CE1-CE1 3.41Å; Y1594-Y1626 HydrophobicContact CE1-CG 4.01Å; Y1594-Y1626 AromaticContact CE2-CD1 3.58Å; Y1594-Y1626 HydrophobicContact CE2-CD1 3.58Å; Y1594-Y1626 HydrophobicContact CE2-CE1 4.16Å; Y1594-Y1626 HydrophobicContact CE2-CG 4.46Å; Y1594-Y1626 AromaticContact CG-CD1 3.92Å; Y1594-Y1626 HydrophobicContact CG-CD1 3.92Å; Y1594-Y1626 HydrophobicContact CG-CG 4.04Å; Y1594-Y1626 AromaticContact CZ-CD1 3.28Å; Y1594-Y1626 AromaticContact CZ-CE1 3.41Å; Y1594-Y1626 VanDerWaalsContact CZ-CE1 3.41Å; Y1594-Y1626 WeakPolarHBondContact OH-CE1 3.35Å; Y1594-D1878 PolarHBondContact OH-OD1 3.39Å; Y1594-D1878 PolarHBondContact OH-OD2 2.84Å | ||
| 1595 | L | 86.1 | Confident | 88.1 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | trans | -105.9 | 103.4 | 178.6 | -70.2 | 172.3 | 0 | 0 | 0 | 107.7 | D1576 P1577 N1597 T1598 P1601 F1603 | D1576-L1595 CarbonylContact C-O 3.52Å; D1576-L1595 WeakPolarHBondContact CA-O 3.45Å; P1577-L1595 WeakPolarHBondContact CD-O 2.94Å; P1577-L1595 PolarHBondContact O-N 2.75Å; L1595-N1597 PolarHBondContact O-N 3.16Å; L1595-T1598 HydrophobicContact CB-CG2 3.98Å; L1595-P1601 HydrophobicContact CB-CB 4.32Å; L1595-P1601 HydrophobicContact CD1-CB 3.54Å; L1595-F1603 HydrophobicContact CD1-CD1 3.78Å; L1595-F1603 HydrophobicContact CD1-CE1 4.2Å; L1595-F1603 HydrophobicContact CD1-CG 4.45Å | ||
| 1596 | P | 83.5 | Confident | 88.6 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 20% | 0.195 | 26% | 0.262 | C | S | . | . | trans | -67.3 | 138 | -172.1 | 25.9 | -34.3 | 0 | 0 | 0 | 111.3 | D1576 Y1594 D1878 | D1576-P1596 WeakPolarHBondContact OD1-CA 3.42Å; Y1594-P1596 HydrophobicContact CD2-CB 4.31Å; Y1594-P1596 HydrophobicContact CE2-CB 3.96Å; P1596-D1878 HydrophobicContact CB-CB 3.97Å; P1596-D1878 HydrophobicContact CG-CB 4.09Å | ||
| 1597 | N | 81 | Confident | 88.8 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 57.8 | 62.9 | 164.2 | -75.4 | -116.3 | 0 | 0 | 0 | 111.5 | L1574 A1575 D1576 L1595 T1880 | L1574-N1597 HydrophobicContact CD1-CB 3.43Å; L1574-N1597 VanDerWaalsContact CD1-CB 3.43Å; A1575-N1597 CarbonylContact O-C 3.51Å; A1575-N1597 WeakPolarHBondContact O-CA 3.13Å; A1575-N1597 PolarHBondContact O-N 3.31Å; D1576-N1597 PolarHBondContact OD1-N 2.82Å; D1576-N1597 PolarHBondContact OD1-ND2 2.77Å; L1595-N1597 PolarHBondContact O-N 3.16Å; N1597-T1880 HydrophobicContact CB-CG2 4.01Å |
| 1598 | T | 84.4 | Confident | 88.9 | Confident | 37 Ų | 37 | 48.4 Ų | 48.4 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | trans | -155.5 | 138.1 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 114 | A1575 P1577 L1595 N1600 P1601 | A1575-T1598 PolarHBondContact O-N 2.73Å; P1577-T1598 VanDerWaalsContact CD-O 3.27Å; P1577-T1598 WeakPolarHBondContact CD-O 3.34Å; P1577-T1598 HydrophobicContact CG-CG2 3.98Å; P1577-T1598 WeakPolarHBondContact CG-O 3.44Å; L1595-T1598 HydrophobicContact CB-CG2 3.98Å; T1598-N1600 PolarHBondContact OG1-N 3.21Å; T1598-N1600 VanDerWaalsContact OG1-N 3.08Å; T1598-P1601 HydrophobicContact CG2-CB 3.89Å | ||
| 1599 | L | 86.1 | Confident | 89 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -94.5 | -6.1 | 168.7 | -55.2 | 177.6 | 0 | 0 | 0 | 113.3 | N253 D1565 L1566 P1568 L1574 P1601 | N253-L1599 HydrophobicContact CB-CD1 3.65Å; D1565-L1599 PolarHBondContact N-O 2.7Å; L1566-L1599 HydrophobicContact CB-CB 4.33Å; L1566-L1599 HydrophobicContact CB-CD2 4.38Å; L1566-L1599 WeakPolarHBondContact CB-O 3.47Å; L1566-L1599 PolarHBondContact N-O 2.92Å; L1566-L1599 WeakPolarHBondContact O-CD2 3.09Å; P1568-L1599 HydrophobicContact CG-CD1 3.74Å; P1568-L1599 HydrophobicContact CG-CD2 3.96Å; P1568-L1599 HydrophobicContact CG-CG 4.49Å; L1574-L1599 HydrophobicContact CD2-CD1 4.48Å; L1574-L1599 HydrophobicContact CD2-CD2 4.48Å; L1574-L1599 HydrophobicContact CD2-CG 3.9Å; L1599-P1601 WeakPolarHBondContact O-CD 3.43Å |
| 1600 | N | 88.4 | Confident | 89.1 | Confident | 82 Ų | 82 | 47.3 Ų | 47.3 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -125.7 | 57.1 | -178.8 | -72 | -75.8 | 0 | 0 | 0 | 111 | A1563 I1564 D1565 T1598 E1602 | A1563-N1600 CarbonylContact O-C 3.52Å; A1563-N1600 WeakPolarHBondContact O-CA 3.49Å; I1564-N1600 WeakPolarHBondContact CA-OD1 3.35Å; D1565-N1600 PolarHBondContact N-OD1 3.18Å; T1598-N1600 PolarHBondContact OG1-N 3.21Å; T1598-N1600 VanDerWaalsContact OG1-N 3.08Å; N1600-E1602 PolarHBondContact O-N 3.11Å |
| 1601 | P | 92.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | trans | -68.4 | 124.5 | -175.2 | 27 | -35.9 | 0 | 0 | 0 | 113 | R1562 A1563 L1566 P1577 L1595 T1598 L1599 F1603 | R1562-P1601 CarbonylContact C-O 3.56Å; R1562-P1601 WeakPolarHBondContact CA-O 3.41Å; R1562-P1601 WeakPolarHBondContact CB-O 3.32Å; A1563-P1601 HydrophobicContact CB-CG 3.82Å; A1563-P1601 PolarHBondContact N-O 3.13Å; L1566-P1601 HydrophobicContact CD1-CG 3.7Å; P1577-P1601 HydrophobicContact CB-CG 4.13Å; P1577-P1601 HydrophobicContact CG-CB 3.75Å; P1577-P1601 HydrophobicContact CG-CG 3.61Å; L1595-P1601 HydrophobicContact CB-CB 4.32Å; L1595-P1601 HydrophobicContact CD1-CB 3.54Å; T1598-P1601 HydrophobicContact CG2-CB 3.89Å; L1599-P1601 WeakPolarHBondContact O-CD 3.43Å; P1601-F1603 HydrophobicContact CB-CD1 4.22Å; P1601-F1603 HydrophobicContact CB-CD2 4.44Å; P1601-F1603 HydrophobicContact CB-CE1 3.79Å; P1601-F1603 HydrophobicContact CB-CE2 4.07Å; P1601-F1603 HydrophobicContact CB-CZ 3.73Å; P1601-F1603 HydrophobicContact CG-CD2 4.35Å; P1601-F1603 HydrophobicContact CG-CE1 3.96Å; P1601-F1603 HydrophobicContact CG-CE2 3.59Å; P1601-F1603 HydrophobicContact CG-CZ 3.36Å; P1601-F1603 PolarHBondContact O-N 2.96Å | ||
| 1602 | E | 89.7 | Confident | 89.6 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | trans | -84.5 | 89.7 | 163.5 | -68.9 | -173.5 | 151.2 | 0 | 0 | 109.7 | Y1458 I1561 R1562 N1600 R1883 | Y1458-E1602 PolarHBondContact OH-OE1 2.88Å; I1561-E1602 CarbonylContact O-C 3.52Å; R1562-E1602 HydrophobicContact CB-CG 4.24Å; N1600-E1602 PolarHBondContact O-N 3.11Å; E1602-R1883 IonicContact OE2-CZ 2.66Å; E1602-R1883 IonicContact OE2-NH1 2.68Å; E1602-R1883 PolarHBondContact OE2-NH1 3.31Å; E1602-R1883 VanDerWaalsContact OE2-NH1 3.1Å; E1602-R1883 IonicContact OE2-NH2 3.25Å; E1602-R1883 PolarHBondContact OE2-NH2 2.54Å | ||
| 1603 | F | 93.2 | Very high | 90 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | trans | -67.6 | -45.8 | -178.7 | -61.7 | -68.6 | 0 | 0 | 0 | 113.3 | I1560 I1561 A1563 P1577 V1579 L1595 P1601 K1605 V1623 L1766 | I1560-F1603 HydrophobicContact CG2-CB 4.3Å; I1560-F1603 HydrophobicContact CG2-CD2 3.68Å; I1560-F1603 HydrophobicContact CG2-CE2 4.37Å; I1560-F1603 HydrophobicContact CG2-CG 4.29Å; I1561-F1603 PolarHBondContact O-N 2.91Å; A1563-F1603 HydrophobicContact CB-CE2 3.92Å; P1577-F1603 HydrophobicContact CB-CE1 4.33Å; P1577-F1603 HydrophobicContact CB-CZ 4.16Å; V1579-F1603 HydrophobicContact CG2-CD1 3.79Å; V1579-F1603 HydrophobicContact CG2-CD2 3.8Å; V1579-F1603 HydrophobicContact CG2-CE1 3.68Å; V1579-F1603 HydrophobicContact CG2-CE2 3.66Å; V1579-F1603 HydrophobicContact CG2-CG 3.84Å; V1579-F1603 HydrophobicContact CG2-CZ 3.6Å; L1595-F1603 HydrophobicContact CD1-CD1 3.78Å; L1595-F1603 HydrophobicContact CD1-CE1 4.2Å; L1595-F1603 HydrophobicContact CD1-CG 4.45Å; P1601-F1603 HydrophobicContact CB-CD1 4.22Å; P1601-F1603 HydrophobicContact CB-CD2 4.44Å; P1601-F1603 HydrophobicContact CB-CE1 3.79Å; P1601-F1603 HydrophobicContact CB-CE2 4.07Å; P1601-F1603 HydrophobicContact CB-CZ 3.73Å; P1601-F1603 HydrophobicContact CG-CD2 4.35Å; P1601-F1603 HydrophobicContact CG-CE1 3.96Å; P1601-F1603 HydrophobicContact CG-CE2 3.59Å; P1601-F1603 HydrophobicContact CG-CZ 3.36Å; P1601-F1603 PolarHBondContact O-N 2.96Å; F1603-K1605 VanDerWaalsContact C-N 3.35Å; F1603-K1605 WeakPolarHBondContact O-CG 3.36Å; F1603-K1605 PolarHBondContact O-N 2.78Å; F1603-V1623 HydrophobicContact CZ-CG1 4.15Å; F1603-L1766 HydrophobicContact CE2-CD1 4.13Å | ||
| 1604 | G | 91.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | trans | 50.7 | 45.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1560 I1561 I1786 | I1560-G1604 PolarHBondContact O-N 2.93Å; I1561-G1604 PolarHBondContact O-N 2.86Å; G1604-I1786 CarbonylContact C-O 3.56Å; G1604-I1786 WeakPolarHBondContact CA-O 3.49Å; G1604-I1786 CarbonylContact O-C 3.59Å | ||
| 1605 | K | 92.4 | Very high | 90.6 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.9 | -174.1 | -79 | 170.6 | -165.9 | 167.9 | 0 | 112.9 | I1560 K1593 F1603 F1607 | I1560-K1605 PolarHBondContact N-O 3.07Å; I1560-K1605 PolarHBondContact O-N 2.93Å; K1593-K1605 PolarHBondContact O-NZ 2.87Å; F1603-K1605 VanDerWaalsContact C-N 3.35Å; F1603-K1605 WeakPolarHBondContact O-CG 3.36Å; F1603-K1605 PolarHBondContact O-N 2.78Å; K1605-F1607 HydrophobicContact CB-CD2 4.43Å; K1605-F1607 HydrophobicContact CB-CE2 3.78Å; K1605-F1607 HydrophobicContact CB-CZ 4.14Å; K1605-F1607 HydrophobicContact CD-CZ 4.38Å |
| 1606 | M | 93.8 | Very high | 90.9 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 30% | 0.3 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.5 | 170.5 | -175.9 | -76.8 | -58.9 | 0 | 0 | 109.3 | R1557 V1558 Y1559 Q1608 P1783 | R1557-M1606 HydrophobicContact CB-CG 4.47Å; R1557-M1606 HydrophobicContact CB-SD 4.17Å; R1557-M1606 HydrophobicContact CG-SD 4Å; V1558-M1606 CarbonylContact O-C 3.5Å; V1558-M1606 WeakPolarHBondContact O-CA 3.45Å; Y1559-M1606 HydrophobicContact CD1-CB 3.7Å; Y1559-M1606 HydrophobicContact CD1-CG 3.53Å; Y1559-M1606 HydrophobicContact CD2-CG 4.35Å; Y1559-M1606 HydrophobicContact CE1-CB 3.87Å; Y1559-M1606 HydrophobicContact CE1-CG 3.33Å; Y1559-M1606 HydrophobicContact CE2-CG 4.19Å; Y1559-M1606 HydrophobicContact CG-CB 4.4Å; Y1559-M1606 HydrophobicContact CG-CG 4.07Å; M1606-Q1608 HydrophobicContact CE-CB 4.38Å; M1606-Q1608 HydrophobicContact SD-CB 3.81Å; M1606-P1783 HydrophobicContact CE-CB 3.87Å; M1606-P1783 HydrophobicContact CE-CG 4.01Å; M1606-P1783 HydrophobicContact CG-CB 4.46Å; M1606-P1783 HydrophobicContact SD-CB 4.48Å |
| 1607 | F | 94 | Very high | 91.3 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 116.5 | 176.6 | -60 | -95.8 | 0 | 0 | 0 | 109.3 | R1557 V1558 I1560 V1579 I1581 V1588 K1605 M1609 | R1557-F1607 WeakPolarHBondContact CA-O 3.4Å; V1558-F1607 PolarHBondContact N-O 3.15Å; V1558-F1607 PolarHBondContact O-N 3.31Å; I1560-F1607 HydrophobicContact CG1-CD2 4.32Å; I1560-F1607 HydrophobicContact CG1-CE2 4.09Å; V1579-F1607 HydrophobicContact CB-CZ 4.45Å; I1581-F1607 HydrophobicContact CD1-CB 3.97Å; I1581-F1607 HydrophobicContact CD1-CD1 4.4Å; I1581-F1607 HydrophobicContact CD1-CD2 3.34Å; I1581-F1607 HydrophobicContact CD1-CE2 3.8Å; I1581-F1607 HydrophobicContact CD1-CG 3.67Å; I1581-F1607 HydrophobicContact CD1-CZ 4.49Å; I1581-F1607 HydrophobicContact CG1-CD2 4.41Å; V1588-F1607 HydrophobicContact CB-CD1 4.34Å; V1588-F1607 HydrophobicContact CG2-CB 4.31Å; V1588-F1607 HydrophobicContact CG2-CD1 3.68Å; V1588-F1607 HydrophobicContact CG2-CE1 4.38Å; V1588-F1607 HydrophobicContact CG2-CG 4.32Å; K1605-F1607 HydrophobicContact CB-CD2 4.43Å; K1605-F1607 HydrophobicContact CB-CE2 3.78Å; K1605-F1607 HydrophobicContact CB-CZ 4.14Å; K1605-F1607 HydrophobicContact CD-CZ 4.38Å; F1607-M1609 HydrophobicContact CB-CE 3.72Å |
| 1608 | Q | 93.7 | Very high | 91.8 | Very high | 89 Ų | 89 | 36.5 Ų | 36.5 | 42% | 0.416 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.3 | 176.1 | -172 | 172.2 | -51.2 | 0 | 0 | 110.5 | M1555 L1556 R1557 M1606 | M1555-Q1608 HydrophobicContact CG-CG 3.93Å; M1555-Q1608 HydrophobicContact SD-CG 3.56Å; M1555-Q1608 VanDerWaalsContact SD-CG 3.56Å; M1555-Q1608 PolarHBondContact SD-NE2 2.95Å; L1556-Q1608 WeakPolarHBondContact O-CA 3.17Å; R1557-Q1608 HydrophobicContact CG-CB 4.25Å; R1557-Q1608 HydrophobicContact CG-CG 4Å; M1606-Q1608 HydrophobicContact CE-CB 4.38Å; M1606-Q1608 HydrophobicContact SD-CB 3.81Å |
| 1609 | M | 93.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 6% | 0.064 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 164.3 | 178.7 | 63.8 | -159.5 | 80.4 | 0 | 0 | 111.1 | L1556 I1581 V1583 V1588 F1607 | L1556-M1609 HydrophobicContact CB-CG 4.49Å; L1556-M1609 HydrophobicContact CD2-CG 4.36Å; L1556-M1609 PolarHBondContact N-O 3.01Å; L1556-M1609 PolarHBondContact O-N 3.43Å; I1581-M1609 HydrophobicContact CB-CE 4.31Å; I1581-M1609 HydrophobicContact CG2-CE 3.82Å; I1581-M1609 HydrophobicContact CG2-SD 4.24Å; V1583-M1609 HydrophobicContact CG1-CG 3.92Å; V1583-M1609 HydrophobicContact CG1-SD 3.43Å; V1583-M1609 WeakPolarHBondContact CG1-SD 3.46Å; V1588-M1609 HydrophobicContact CG2-CE 3.55Å; V1588-M1609 HydrophobicContact CG2-SD 4.49Å; F1607-M1609 HydrophobicContact CB-CE 3.72Å |
| 1610 | K | 93.3 | Very high | 92.8 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 35% | 0.352 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 148.7 | 170.9 | -72.6 | -178 | 159 | -153.2 | 0 | 109.8 | E1553 C1554 M1555 H1586 | E1553-K1610 HydrophobicContact CG-CD 4.45Å; E1553-K1610 WeakPolarHBondContact OE1-CD 3.32Å; E1553-K1610 IonicContact OE1-NZ 2.8Å; E1553-K1610 PolarHBondContact OE1-NZ 2.91Å; E1553-K1610 VanDerWaalsContact OE1-NZ 3.08Å; E1553-K1610 WeakPolarHBondContact OE2-CE 3.3Å; E1553-K1610 IonicContact OE2-NZ 2.72Å; E1553-K1610 PolarHBondContact OE2-NZ 2.88Å; C1554-K1610 WeakPolarHBondContact O-CA 3.25Å; M1555-K1610 HydrophobicContact CE-CD 4.38Å; M1555-K1610 HydrophobicContact CE-CG 3.82Å; M1555-K1610 HydrophobicContact SD-CG 3.93Å; H1586-K1610 PolarHBondContact CD2-O 2.85Å |
| 1611 | C | 94.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.2 | 167.3 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | C1554 V1583 E1616 | C1554-C1611 PolarHBondContact N-O 2.89Å; C1554-C1611 PolarHBondContact O-N 3.01Å; V1583-C1611 HydrophobicContact CG1-CB 4.14Å; V1583-C1611 HydrophobicContact CG2-CB 3.78Å; C1611-E1616 VanDerWaalsContact CA-OE2 3.29Å; C1611-E1616 WeakPolarHBondContact CA-OE2 3.4Å; C1611-E1616 HydrophobicContact CB-CB 4.13Å |
| 1612 | I | 95.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 32.8 Ų | 32.8 | 35% | 0.349 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 104.4 | 174.7 | -55.9 | 170.3 | 0 | 0 | 0 | 109.4 | P1551 I1615 E1616 | P1551-I1612 HydrophobicContact CB-CG2 3.55Å; I1612-I1615 HydrophobicContact CB-CD1 4.44Å; I1612-I1615 HydrophobicContact CG2-CD1 3.8Å; I1612-I1615 HydrophobicContact CG2-CG1 4.14Å; I1612-I1615 WeakPolarHBondContact O-CA 2.97Å; I1612-I1615 WeakPolarHBondContact O-CB 3.34Å; I1612-I1615 PolarHBondContact O-N 2.92Å; I1612-E1616 PolarHBondContact N-OE2 3.08Å; I1612-E1616 PolarHBondContact O-N 3.05Å |
| 1613 | L | 93.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138 | 177.4 | -61.6 | -176.8 | 0 | 0 | 0 | 110.3 | P1551 E1552 C1554 L1642 R1646 I1772 | P1551-L1613 CarbonylContact C-O 3.52Å; P1551-L1613 WeakPolarHBondContact CA-O 3.26Å; E1552-L1613 PolarHBondContact N-O 3.38Å; E1552-L1613 PolarHBondContact O-N 2.9Å; C1554-L1613 HydrophobicContact CB-CD1 4.39Å; L1613-L1642 HydrophobicContact CD1-CB 4.25Å; L1613-L1642 HydrophobicContact CD2-CB 3.72Å; L1613-L1642 HydrophobicContact CD2-CD1 4.1Å; L1613-R1646 HydrophobicContact CD1-CB 3.88Å; L1613-R1646 HydrophobicContact CD1-CG 4.05Å; L1613-I1772 HydrophobicContact CD1-CG2 4.21Å |
| 1614 | P | 92.3 | Very high | 93.7 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -98.7 | 18.1 | 1.8 | 39.2 | -35.1 | 0 | 0 | 0 | 113.9 | P1340 E1616 K1617 E1643 | P1340-P1614 HydrophobicContact CG-CG 3.94Å; P1614-E1616 VanDerWaalsContact C-N 3.27Å; P1614-E1616 PolarHBondContact O-N 2.97Å; P1614-K1617 HydrophobicContact CB-CB 4.4Å; P1614-E1643 HydrophobicContact CB-CB 4.08Å; P1614-E1643 HydrophobicContact CB-CG 4Å; P1614-E1643 VanDerWaalsContact CB-OE1 3.28Å; P1614-E1643 WeakPolarHBondContact CB-OE1 3.27Å; P1614-E1643 WeakPolarHBondContact CB-OE2 3.3Å |
| 1615 | I | 91.2 | Very high | 93.8 | Very high | 70 Ų | 70 | 31.7 Ų | 31.7 | 36% | 0.359 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -40.1 | 177.9 | -52.1 | -178.5 | 0 | 0 | 0 | 110.2 | K1338 P1551 I1612 | K1338-I1615 WeakPolarHBondContact O-CD1 3.39Å; P1551-I1615 HydrophobicContact CB-CD1 4.12Å; P1551-I1615 HydrophobicContact CB-CG1 4.27Å; P1551-I1615 HydrophobicContact CG-CD1 4.18Å; P1551-I1615 HydrophobicContact CG-CG1 4.43Å; I1612-I1615 HydrophobicContact CB-CD1 4.44Å; I1612-I1615 HydrophobicContact CG2-CD1 3.8Å; I1612-I1615 HydrophobicContact CG2-CG1 4.14Å; I1612-I1615 WeakPolarHBondContact O-CA 2.97Å; I1612-I1615 WeakPolarHBondContact O-CB 3.34Å; I1612-I1615 PolarHBondContact O-N 2.92Å |
| 1616 | E | 92.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 13% | 0.126 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 51.1 | -178.7 | -55.4 | -178.9 | 124.8 | 0 | 0 | 109.3 | V1583 G1584 Q1585 C1611 I1612 P1614 | V1583-E1616 HydrophobicContact CG2-CB 4.19Å; V1583-E1616 VanDerWaalsContact CG2-O 3.3Å; V1583-E1616 WeakPolarHBondContact CG2-O 3.25Å; G1584-E1616 WeakPolarHBondContact CA-OE1 3.38Å; Q1585-E1616 PolarHBondContact N-OE1 3.44Å; C1611-E1616 VanDerWaalsContact CA-OE2 3.29Å; C1611-E1616 WeakPolarHBondContact CA-OE2 3.4Å; C1611-E1616 HydrophobicContact CB-CB 4.13Å; I1612-E1616 PolarHBondContact N-OE2 3.08Å; I1612-E1616 PolarHBondContact O-N 3.05Å; P1614-E1616 VanDerWaalsContact C-N 3.27Å; P1614-E1616 PolarHBondContact O-N 2.97Å |
| 1617 | K | 91.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | trans | -72 | -22.8 | -174.1 | 64.9 | 141.6 | -167 | 160.7 | 0 | 115.3 | R1304 E1519 P1614 D1641 L1642 E1643 | R1304-K1617 HydrophobicContact CG-CD 4.23Å; E1519-K1617 IonicContact OE2-NZ 3.94Å; E1519-K1617 PolarHBondContact OE2-NZ 3.41Å; P1614-K1617 HydrophobicContact CB-CB 4.4Å; K1617-D1641 WeakPolarHBondContact CD-OD2 3.41Å; K1617-D1641 IonicContact NZ-OD2 3.49Å; K1617-D1641 PolarHBondContact NZ-OD2 3.45Å; K1617-L1642 WeakPolarHBondContact O-CB 3.39Å; K1617-L1642 WeakPolarHBondContact O-CG 3.47Å; K1617-L1642 PolarHBondContact O-N 3.37Å; K1617-E1643 HydrophobicContact CB-CB 3.89Å | ||
| 1618 | E | 92.1 | Very high | 92.4 | Very high | 70 Ų | 70 | 33 Ų | 33 | 33% | 0.327 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.4 | -175.9 | -79.7 | 155.7 | -138.4 | 0 | 0 | 109.8 | H1620 | E1618-H1620 IonicContact OE2-CE1 2.87Å |
| 1619 | L | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 107.9 | 167.9 | 178.9 | 68.5 | 0 | 0 | 0 | 108.4 | L1556 V1558 I1581 V1583 V1621 D1639 I1640 L1642 V1770 | L1556-L1619 HydrophobicContact CD2-CD1 4.25Å; L1556-L1619 HydrophobicContact CD2-CD2 4.36Å; V1558-L1619 HydrophobicContact CG2-CD1 4.08Å; V1558-L1619 HydrophobicContact CG2-CD2 3.75Å; I1581-L1619 HydrophobicContact CG2-CD1 3.47Å; I1581-L1619 VanDerWaalsContact CG2-CD1 3.47Å; V1583-L1619 HydrophobicContact CB-CD1 4.06Å; L1619-V1621 HydrophobicContact CD2-CG2 4.24Å; L1619-V1621 HydrophobicContact CG-CG2 4.05Å; L1619-D1639 WeakPolarHBondContact O-CA 3.28Å; L1619-I1640 HydrophobicContact CB-CB 4.3Å; L1619-I1640 HydrophobicContact CD2-CD1 4.31Å; L1619-I1640 PolarHBondContact N-O 3.04Å; L1619-I1640 PolarHBondContact O-N 3.08Å; L1619-L1642 HydrophobicContact CB-CD1 3.91Å; L1619-L1642 HydrophobicContact CB-CD2 3.9Å; L1619-L1642 HydrophobicContact CB-CG 3.85Å; L1619-L1642 HydrophobicContact CD2-CD2 4.05Å; L1619-V1770 HydrophobicContact CD2-CG1 4.29Å; L1619-V1770 HydrophobicContact CD2-CG2 3.75Å |
| 1620 | H | 95 | Very high | 90.6 | Very high | 47 Ų | 47 | 38 Ų | 38 | 22% | 0.218 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.4 | 172.9 | -48.7 | -74.3 | 0 | 0 | 0 | 108.8 | I1581 I1582 E1618 I1622 D1639 | I1581-H1620 WeakPolarHBondContact CA-O 3.21Å; I1582-H1620 HydrophobicContact CB-CB 4.26Å; I1582-H1620 PolarHBondContact N-O 2.85Å; I1582-H1620 PolarHBondContact O-N 2.82Å; E1618-H1620 IonicContact OE2-CE1 2.87Å; H1620-I1622 HydrophobicContact CB-CG1 4.49Å; H1620-D1639 IonicContact CE1-OD1 3.12Å; H1620-D1639 IonicContact CG-OD1 2.75Å; H1620-D1639 IonicContact ND1-OD1 2.65Å; H1620-D1639 PolarHBondContact ND1-OD1 3.03Å |
| 1621 | V | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.1 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | I1560 V1579 L1619 Q1637 T1638 L1766 M1768 | I1560-V1621 HydrophobicContact CD1-CG1 3.9Å; V1579-V1621 HydrophobicContact CG1-CG1 4.02Å; L1619-V1621 HydrophobicContact CD2-CG2 4.24Å; L1619-V1621 HydrophobicContact CG-CG2 4.05Å; V1621-Q1637 CarbonylContact O-C 3.5Å; V1621-Q1637 VanDerWaalsContact O-CA 3.31Å; V1621-Q1637 WeakPolarHBondContact O-CA 3.4Å; V1621-T1638 HydrophobicContact CB-CG2 4.14Å; V1621-T1638 PolarHBondContact N-O 2.92Å; V1621-T1638 PolarHBondContact O-N 2.91Å; V1621-L1766 HydrophobicContact CB-CD2 4.43Å; V1621-L1766 HydrophobicContact CG1-CD2 3.46Å; V1621-L1766 VanDerWaalsContact CG1-CD2 3.46Å; V1621-M1768 HydrophobicContact CG1-SD 4.43Å; V1621-M1768 HydrophobicContact CG2-CE 4.13Å; V1621-M1768 HydrophobicContact CG2-SD 4.28Å |
| 1622 | I | 95.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.7 | -172.2 | -47.7 | 177.1 | 0 | 0 | 0 | 108.1 | V1579 E1580 I1582 H1620 K1624 I1634 Q1637 | V1579-I1622 WeakPolarHBondContact CA-O 3.48Å; E1580-I1622 HydrophobicContact CB-CB 4.34Å; E1580-I1622 PolarHBondContact N-O 2.91Å; E1580-I1622 PolarHBondContact O-N 3.01Å; I1582-I1622 HydrophobicContact CD1-CD1 3.83Å; I1582-I1622 HydrophobicContact CG1-CD1 4.46Å; H1620-I1622 HydrophobicContact CB-CG1 4.49Å; I1622-K1624 HydrophobicContact CG2-CG 3.87Å; I1622-I1634 HydrophobicContact CG2-CG1 4.24Å; I1622-I1634 HydrophobicContact CG2-CG2 3.8Å; I1622-Q1637 HydrophobicContact CB-CB 4.31Å; I1622-Q1637 HydrophobicContact CG1-CB 3.94Å; I1622-Q1637 HydrophobicContact CG2-CB 4.26Å |
| 1623 | V | 96.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128 | 167.1 | -169.6 | 0 | 0 | 0 | 0 | 107.8 | L1566 P1577 F1603 I1635 G1636 L1753 L1766 | L1566-V1623 HydrophobicContact CD1-CG1 3.86Å; L1566-V1623 HydrophobicContact CD2-CB 4.48Å; L1566-V1623 HydrophobicContact CD2-CG1 4.15Å; P1577-V1623 HydrophobicContact CB-CG1 4.07Å; F1603-V1623 HydrophobicContact CZ-CG1 4.15Å; V1623-I1635 HydrophobicContact CG1-CD1 4.23Å; V1623-I1635 PolarHBondContact O-N 3.35Å; V1623-I1635 VanDerWaalsContact O-N 3.14Å; V1623-G1636 PolarHBondContact N-O 3.28Å; V1623-G1636 PolarHBondContact O-N 2.94Å; V1623-L1753 HydrophobicContact CB-CD1 4.26Å; V1623-L1753 HydrophobicContact CG2-CD1 3.72Å; V1623-L1753 HydrophobicContact CG2-CD2 4.32Å; V1623-L1766 HydrophobicContact CG2-CD1 4.17Å; V1623-L1766 HydrophobicContact CG2-CD2 4.39Å |
| 1624 | K | 93.9 | Very high | 89.2 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 152 | -176.8 | -69.8 | -171.8 | 178 | 176.7 | 0 | 111.4 | P1577 Y1578 E1580 I1622 D1632 D1633 I1634 | P1577-K1624 CarbonylContact C-O 3.49Å; P1577-K1624 VanDerWaalsContact CA-O 3.26Å; P1577-K1624 WeakPolarHBondContact CA-O 3.41Å; Y1578-K1624 HydrophobicContact CD1-CB 4.22Å; Y1578-K1624 HydrophobicContact CE1-CB 3.7Å; Y1578-K1624 HydrophobicContact CE2-CB 4.09Å; Y1578-K1624 HydrophobicContact CE2-CD 4.17Å; Y1578-K1624 PolarHBondContact N-O 3.33Å; Y1578-K1624 PolarHBondContact O-N 3.11Å; Y1578-K1624 WeakPolarHBondContact OH-CD 3.29Å; E1580-K1624 WeakPolarHBondContact OE1-CE 3.39Å; E1580-K1624 IonicContact OE1-NZ 3.77Å; E1580-K1624 PolarHBondContact OE1-NZ 3.4Å; E1580-K1624 IonicContact OE2-NZ 3.13Å; E1580-K1624 PolarHBondContact OE2-NZ 2.92Å; I1622-K1624 HydrophobicContact CG2-CG 3.87Å; K1624-D1632 HydrophobicContact CD-CB 4.47Å; K1624-D1633 CarbonylContact C-O 3.5Å; K1624-D1633 WeakPolarHBondContact CA-O 3.02Å; K1624-D1633 WeakPolarHBondContact CB-O 3.46Å; K1624-I1634 HydrophobicContact CD-CG1 4.46Å; K1624-I1634 HydrophobicContact CG-CG1 4.21Å |
| 1625 | D | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -84 | 152.9 | 168.4 | -150.5 | -17.9 | 0 | 0 | 0 | 110.7 | S1569 D1570 A1575 D1576 Y1578 D1632 D1633 I1635 | S1569-D1625 VanDerWaalsContact CB-OD2 3.24Å; S1569-D1625 WeakPolarHBondContact CB-OD2 3.47Å; D1570-D1625 WeakPolarHBondContact CB-OD2 3.45Å; D1570-D1625 PolarHBondContact N-OD2 3.21Å; D1570-D1625 VanDerWaalsContact N-OD2 3.17Å; A1575-D1625 VanDerWaalsContact CA-OD2 3.3Å; A1575-D1625 WeakPolarHBondContact CA-OD2 3.36Å; A1575-D1625 HydrophobicContact CB-CB 4.35Å; A1575-D1625 VanDerWaalsContact CB-OD2 3.23Å; A1575-D1625 WeakPolarHBondContact CB-OD2 3.44Å; D1576-D1625 WeakPolarHBondContact CA-OD1 3.46Å; D1576-D1625 PolarHBondContact N-OD1 3.09Å; Y1578-D1625 WeakPolarHBondContact CE1-O 3.42Å; D1625-D1632 VanDerWaalsContact O-CB 3.29Å; D1625-D1632 WeakPolarHBondContact O-CB 3.44Å; D1625-D1633 HydrophobicContact CB-CB 4.45Å; D1625-D1633 PolarHBondContact N-O 3.33Å; D1625-I1635 HydrophobicContact CB-CD1 4.24Å; D1625-I1635 HydrophobicContact CB-CG1 4.17Å | ||
| 1626 | Y | 89.5 | Confident | 89 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | trans | -108.1 | 99.8 | 177.7 | 169.8 | -102.8 | 0 | 0 | 0 | 111.7 | D1576 K1591 Y1594 | D1576-Y1626 PolarHBondContact O-N 2.94Å; K1591-Y1626 HydrophobicContact CD-CD2 4.24Å; K1591-Y1626 VanDerWaalsContact CE-CD2 3.46Å; K1591-Y1626 HydrophobicContact CG-CD2 4.06Å; K1591-Y1626 HydrophobicContact CG-CE2 4.48Å; Y1594-Y1626 AromaticContact CD1-CD1 3.65Å; Y1594-Y1626 HydrophobicContact CD1-CD1 3.65Å; Y1594-Y1626 HydrophobicContact CD1-CD2 4.49Å; Y1594-Y1626 HydrophobicContact CD1-CE1 4.12Å; Y1594-Y1626 AromaticContact CD1-CG 3.86Å; Y1594-Y1626 HydrophobicContact CD1-CG 3.86Å; Y1594-Y1626 AromaticContact CD2-CD1 3.9Å; Y1594-Y1626 HydrophobicContact CD2-CD1 3.9Å; Y1594-Y1626 HydrophobicContact CD2-CG 4.35Å; Y1594-Y1626 AromaticContact CE1-CD1 3.34Å; Y1594-Y1626 HydrophobicContact CE1-CD1 3.34Å; Y1594-Y1626 AromaticContact CE1-CE1 3.41Å; Y1594-Y1626 HydrophobicContact CE1-CE1 3.41Å; Y1594-Y1626 VanDerWaalsContact CE1-CE1 3.41Å; Y1594-Y1626 HydrophobicContact CE1-CG 4.01Å; Y1594-Y1626 AromaticContact CE2-CD1 3.58Å; Y1594-Y1626 HydrophobicContact CE2-CD1 3.58Å; Y1594-Y1626 HydrophobicContact CE2-CE1 4.16Å; Y1594-Y1626 HydrophobicContact CE2-CG 4.46Å; Y1594-Y1626 AromaticContact CG-CD1 3.92Å; Y1594-Y1626 HydrophobicContact CG-CD1 3.92Å; Y1594-Y1626 HydrophobicContact CG-CG 4.04Å; Y1594-Y1626 AromaticContact CZ-CD1 3.28Å; Y1594-Y1626 AromaticContact CZ-CE1 3.41Å; Y1594-Y1626 VanDerWaalsContact CZ-CE1 3.41Å; Y1594-Y1626 WeakPolarHBondContact OH-CE1 3.35Å | ||
| 1627 | D | 84.4 | Confident | 89.1 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | trans | -81.3 | 123.4 | 171.9 | -62.5 | -82.8 | 0 | 0 | 0 | 112.4 | V1629 D1632 D1633 | D1627-V1629 PolarHBondContact O-N 3.27Å; D1627-D1632 WeakPolarHBondContact OD2-CA 3.35Å; D1627-D1633 PolarHBondContact OD2-N 3.03Å | ||
| 1628 | A | 76.8 | Confident | 89.2 | Confident | 73 Ų | 73 | 40.7 Ų | 40.7 | 60% | 0.603 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -65.6 | -24.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1629 | V | 73.4 | Confident | 89.2 | Confident | 140 Ų | 140 | 40.7 Ų | 40.7 | 85% | 0.848 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -141.4 | 94.3 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | D1627 | D1627-V1629 PolarHBondContact O-N 3.27Š|
| 1630 | G | 75.7 | Confident | 89.1 | Confident | 67 Ų | 67 | 40.8 Ų | 40.8 | 69% | 0.691 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 158.7 | -153.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1631 | A | 82.4 | Confident | 89.1 | Confident | 82 Ų | 82 | 40.3 Ų | 40.3 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | trans | -119.6 | 121.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | D1633 | A1631-D1633 PolarHBondContact O-N 2.85Š| ||
| 1632 | D | 88 | Confident | 89 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | trans | -41.4 | 118.9 | -179 | -57.1 | 48.9 | 0 | 0 | 0 | 114.3 | Y1578 K1591 K1624 D1625 D1627 | Y1578-D1632 HydrophobicContact CE1-CB 4.39Å; Y1578-D1632 WeakPolarHBondContact CE1-OD2 3.46Å; Y1578-D1632 VanDerWaalsContact CZ-OD2 3.23Å; Y1578-D1632 PolarHBondContact OH-OD2 3.32Å; K1591-D1632 WeakPolarHBondContact CD-OD2 3.45Å; K1591-D1632 WeakPolarHBondContact CE-OD2 3.4Å; K1591-D1632 IonicContact NZ-OD1 3.74Å; K1591-D1632 PolarHBondContact NZ-OD1 3.02Å; K1591-D1632 IonicContact NZ-OD2 3.51Å; K1591-D1632 PolarHBondContact NZ-OD2 3.11Å; K1624-D1632 HydrophobicContact CD-CB 4.47Å; D1625-D1632 VanDerWaalsContact O-CB 3.29Å; D1625-D1632 WeakPolarHBondContact O-CB 3.44Å; D1627-D1632 WeakPolarHBondContact OD2-CA 3.35Å | ||
| 1633 | D | 85.8 | Confident | 88.9 | Confident | 89 Ų | 89 | 40 Ų | 40 | 48% | 0.476 | 25% | 0.25 | S | C | . | . | trans | -72.6 | 146.5 | 179.4 | -90 | -32.5 | 0 | 0 | 0 | 113.8 | K1624 D1625 D1627 A1631 I1635 | K1624-D1633 CarbonylContact C-O 3.5Å; K1624-D1633 WeakPolarHBondContact CA-O 3.02Å; K1624-D1633 WeakPolarHBondContact CB-O 3.46Å; D1625-D1633 HydrophobicContact CB-CB 4.45Å; D1625-D1633 PolarHBondContact N-O 3.33Å; D1627-D1633 PolarHBondContact OD2-N 3.03Å; A1631-D1633 PolarHBondContact O-N 2.85Å; D1633-I1635 PolarHBondContact O-N 3.47Å | ||
| 1634 | I | 90 | Very high | 88.7 | Confident | 62 Ų | 62 | 40.8 Ų | 40.8 | 32% | 0.318 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 104.2 | 174.3 | -63.5 | 172 | 0 | 0 | 0 | 108.8 | I1622 K1624 | I1622-I1634 HydrophobicContact CG2-CG1 4.24Å; I1622-I1634 HydrophobicContact CG2-CG2 3.8Å; K1624-I1634 HydrophobicContact CD-CG1 4.46Å; K1624-I1634 HydrophobicContact CG-CG1 4.21Å |
| 1635 | I | 89 | Confident | 88.7 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | -50.1 | 171.8 | -50.9 | 180 | 0 | 0 | 0 | 109.2 | L1566 Q1567 A1575 P1577 V1623 D1625 D1633 Q1763 | L1566-I1635 HydrophobicContact CB-CG2 4.29Å; L1566-I1635 HydrophobicContact CD1-CD1 4.3Å; L1566-I1635 HydrophobicContact CD2-CG2 4.24Å; Q1567-I1635 HydrophobicContact CB-CG2 4Å; Q1567-I1635 WeakPolarHBondContact O-CG2 3.17Å; A1575-I1635 HydrophobicContact CB-CD1 3.46Å; A1575-I1635 VanDerWaalsContact CB-CD1 3.46Å; P1577-I1635 HydrophobicContact CB-CD1 4.28Å; V1623-I1635 HydrophobicContact CG1-CD1 4.23Å; V1623-I1635 PolarHBondContact O-N 3.35Å; V1623-I1635 VanDerWaalsContact O-N 3.14Å; D1625-I1635 HydrophobicContact CB-CD1 4.24Å; D1625-I1635 HydrophobicContact CB-CG1 4.17Å; D1633-I1635 PolarHBondContact O-N 3.47Å; I1635-Q1763 WeakPolarHBondContact O-CB 3.14Å; I1635-Q1763 VanDerWaalsContact O-CG 3.31Å; I1635-Q1763 WeakPolarHBondContact O-CG 3.19Å |
| 1636 | G | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178 | 163.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1623 Y1754 | V1623-G1636 PolarHBondContact N-O 3.28Å; V1623-G1636 PolarHBondContact O-N 2.94Å; G1636-Y1754 CarbonylContact C-O 3.59Å; G1636-Y1754 WeakPolarHBondContact CA-O 3.2Å |
| 1637 | Q | 93.9 | Very high | 88.7 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 159.6 | -178 | 63.6 | -179.8 | 50.1 | 0 | 0 | 112.6 | V1621 I1622 Y1754 | V1621-Q1637 CarbonylContact O-C 3.5Å; V1621-Q1637 VanDerWaalsContact O-CA 3.31Å; V1621-Q1637 WeakPolarHBondContact O-CA 3.4Å; I1622-Q1637 HydrophobicContact CB-CB 4.31Å; I1622-Q1637 HydrophobicContact CG1-CB 3.94Å; I1622-Q1637 HydrophobicContact CG2-CB 4.26Å; Q1637-Y1754 PolarHBondContact N-O 3.17Å; Q1637-Y1754 PolarHBondContact O-N 3.1Å |
| 1638 | T | 94.6 | Very high | 89 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 144.3 | 171.3 | -166 | 0 | 0 | 0 | 0 | 109.8 | V1621 R1751 L1752 L1753 | V1621-T1638 HydrophobicContact CB-CG2 4.14Å; V1621-T1638 PolarHBondContact N-O 2.92Å; V1621-T1638 PolarHBondContact O-N 2.91Å; T1638-R1751 HydrophobicContact CG2-CB 3.92Å; T1638-R1751 HydrophobicContact CG2-CG 4.49Å; T1638-R1751 PolarHBondContact OG1-NE 2.93Å; T1638-R1751 VanDerWaalsContact OG1-NE 3.09Å; T1638-L1752 WeakPolarHBondContact CB-O 3.49Å; T1638-L1752 PolarHBondContact OG1-O 3.47Å; T1638-L1753 HydrophobicContact CG2-CD2 4.05Å |
| 1639 | D | 92.7 | Very high | 89.4 | Confident | 71 Ų | 71 | 40.2 Ų | 40.2 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.7 | -174.2 | -58.1 | -41.8 | 0 | 0 | 0 | 110.8 | L1619 H1620 R1751 | L1619-D1639 WeakPolarHBondContact O-CA 3.28Å; H1620-D1639 IonicContact CE1-OD1 3.12Å; H1620-D1639 IonicContact CG-OD1 2.75Å; H1620-D1639 IonicContact ND1-OD1 2.65Å; H1620-D1639 PolarHBondContact ND1-OD1 3.03Å; D1639-R1751 PolarHBondContact O-NH2 3.21Å |
| 1640 | I | 94.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.4 | 179.7 | -56.1 | 176.7 | 0 | 0 | 0 | 110 | L1619 L1642 M1768 V1770 | L1619-I1640 HydrophobicContact CB-CB 4.3Å; L1619-I1640 HydrophobicContact CD2-CD1 4.31Å; L1619-I1640 PolarHBondContact N-O 3.04Å; L1619-I1640 PolarHBondContact O-N 3.08Å; I1640-L1642 HydrophobicContact CG2-CD2 4.29Å; I1640-L1642 PolarHBondContact O-N 3.11Å; I1640-M1768 HydrophobicContact CD1-CE 3.54Å; I1640-M1768 HydrophobicContact CD1-SD 4.25Å; I1640-V1770 HydrophobicContact CD1-CG2 3.9Å |
| 1641 | D | 93.4 | Very high | 91 | Very high | 36 Ų | 36 | 33 Ų | 33 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 96.5 | 171.6 | -168.4 | -49.1 | 0 | 0 | 0 | 110.1 | K1521 K1617 E1643 N1644 R1645 | K1521-D1641 VanDerWaalsContact NZ-CG 3.32Å; K1521-D1641 IonicContact NZ-OD1 3.84Å; K1521-D1641 PolarHBondContact NZ-OD1 3.36Å; K1521-D1641 VanDerWaalsContact NZ-OD1 3.08Å; K1521-D1641 IonicContact NZ-OD2 3.82Å; K1521-D1641 PolarHBondContact NZ-OD2 2.77Å; K1617-D1641 WeakPolarHBondContact CD-OD2 3.41Å; K1617-D1641 IonicContact NZ-OD2 3.49Å; K1617-D1641 PolarHBondContact NZ-OD2 3.45Å; D1641-E1643 PolarHBondContact O-N 2.97Å; D1641-E1643 WeakPolarHBondContact OD1-CA 3.47Å; D1641-E1643 WeakPolarHBondContact OD1-CB 3.24Å; D1641-E1643 PolarHBondContact OD1-N 3.21Å; D1641-E1643 VanDerWaalsContact OD1-N 3.08Å; D1641-N1644 HydrophobicContact CB-CB 4.42Å; D1641-N1644 PolarHBondContact O-N 2.92Å; D1641-N1644 PolarHBondContact OD1-N 2.84Å; D1641-R1645 PolarHBondContact O-N 2.92Å |
| 1642 | L | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -27 | 179.7 | -60.4 | 177 | 0 | 0 | 0 | 113 | L1556 V1583 L1613 K1617 L1619 I1640 R1646 V1770 I1772 | L1556-L1642 HydrophobicContact CD1-CD1 3.29Å; L1556-L1642 HydrophobicContact CD1-CD2 3.66Å; L1556-L1642 HydrophobicContact CD1-CG 4.05Å; V1583-L1642 HydrophobicContact CG2-CD1 3.86Å; L1613-L1642 HydrophobicContact CD1-CB 4.25Å; L1613-L1642 HydrophobicContact CD2-CB 3.72Å; L1613-L1642 HydrophobicContact CD2-CD1 4.1Å; K1617-L1642 WeakPolarHBondContact O-CB 3.39Å; K1617-L1642 WeakPolarHBondContact O-CG 3.47Å; K1617-L1642 PolarHBondContact O-N 3.37Å; L1619-L1642 HydrophobicContact CB-CD1 3.91Å; L1619-L1642 HydrophobicContact CB-CD2 3.9Å; L1619-L1642 HydrophobicContact CB-CG 3.85Å; L1619-L1642 HydrophobicContact CD2-CD2 4.05Å; I1640-L1642 HydrophobicContact CG2-CD2 4.29Å; I1640-L1642 PolarHBondContact O-N 3.11Å; L1642-R1646 VanDerWaalsContact O-CB 3.26Å; L1642-R1646 WeakPolarHBondContact O-CB 3.4Å; L1642-R1646 PolarHBondContact O-N 2.85Å; L1642-V1770 HydrophobicContact CD2-CG1 4.16Å; L1642-I1772 HydrophobicContact CB-CD1 4.34Å; L1642-I1772 HydrophobicContact CD2-CD1 4.06Å |
| 1643 | E | 93.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.6 | -48.3 | 177.7 | 166.8 | 177.5 | -143.5 | 0 | 0 | 110.2 | W1301 R1304 K1521 P1614 K1617 D1641 R1645 R1646 L1647 | W1301-E1643 PolarHBondContact NE1-OE1 3.48Å; R1304-E1643 IonicContact CZ-OE1 3.5Å; R1304-E1643 IonicContact CZ-OE2 3.53Å; R1304-E1643 IonicContact NE-OE1 2.73Å; R1304-E1643 IonicContact NE-OE2 2.72Å; R1304-E1643 PolarHBondContact NE-OE2 3.09Å; R1304-E1643 VanDerWaalsContact NH2-CD 3.3Å; R1304-E1643 IonicContact NH2-OE1 3.71Å; R1304-E1643 PolarHBondContact NH2-OE1 3.41Å; R1304-E1643 IonicContact NH2-OE2 3.16Å; R1304-E1643 PolarHBondContact NH2-OE2 3.08Å; R1304-E1643 VanDerWaalsContact NH2-OE2 3.15Å; K1521-E1643 VanDerWaalsContact CD-OE2 3.27Å; K1521-E1643 WeakPolarHBondContact CD-OE2 3.45Å; K1521-E1643 WeakPolarHBondContact CE-OE2 3.38Å; K1521-E1643 IonicContact NZ-OE2 2.76Å; K1521-E1643 PolarHBondContact NZ-OE2 3.14Å; P1614-E1643 HydrophobicContact CB-CB 4.08Å; P1614-E1643 HydrophobicContact CB-CG 4Å; P1614-E1643 VanDerWaalsContact CB-OE1 3.28Å; P1614-E1643 WeakPolarHBondContact CB-OE1 3.27Å; P1614-E1643 WeakPolarHBondContact CB-OE2 3.3Å; K1617-E1643 HydrophobicContact CB-CB 3.89Å; D1641-E1643 PolarHBondContact O-N 2.97Å; D1641-E1643 WeakPolarHBondContact OD1-CA 3.47Å; D1641-E1643 WeakPolarHBondContact OD1-CB 3.24Å; D1641-E1643 PolarHBondContact OD1-N 3.21Å; D1641-E1643 VanDerWaalsContact OD1-N 3.08Å; E1643-R1645 VanDerWaalsContact C-N 3.29Å; E1643-R1645 PolarHBondContact O-N 2.93Å; E1643-R1646 PolarHBondContact O-N 3.14Å; E1643-L1647 HydrophobicContact CG-CD1 3.44Å; E1643-L1647 VanDerWaalsContact CG-CD1 3.44Å; E1643-L1647 HydrophobicContact CG-CG 4.11Å; E1643-L1647 WeakPolarHBondContact O-CB 3.4Å; E1643-L1647 VanDerWaalsContact O-CG 3.27Å; E1643-L1647 WeakPolarHBondContact O-CG 3.42Å; E1643-L1647 PolarHBondContact O-N 3.1Å |
| 1644 | N | 92.2 | Very high | 92.2 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 9% | 0.086 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 177.8 | -74.8 | 12.5 | 0 | 0 | 0 | 111.2 | F1494 K1521 D1641 R1646 L1647 T1648 | F1494-N1644 HydrophobicContact CB-CB 4.12Å; K1521-N1644 PolarHBondContact NZ-OD1 2.98Å; D1641-N1644 HydrophobicContact CB-CB 4.42Å; D1641-N1644 PolarHBondContact O-N 2.92Å; D1641-N1644 PolarHBondContact OD1-N 2.84Å; N1644-R1646 VanDerWaalsContact C-N 3.3Å; N1644-R1646 PolarHBondContact O-N 3.35Å; N1644-L1647 PolarHBondContact O-N 3.16Å; N1644-T1648 WeakPolarHBondContact O-CB 3.48Å; N1644-T1648 WeakPolarHBondContact O-CG2 3.48Å; N1644-T1648 PolarHBondContact O-N 3.11Å |
| 1645 | R | 93.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -31.1 | 174.9 | -71.1 | -168.7 | -179.3 | -167.1 | 3.7 | 114 | E1486 F1494 D1641 E1643 A1652 E1749 I1772 | E1486-R1645 IonicContact OE2-CZ 3.21Å; E1486-R1645 IonicContact OE2-NE 2.73Å; E1486-R1645 IonicContact OE2-NH2 2.85Å; E1486-R1645 PolarHBondContact OE2-NH2 2.81Å; F1494-R1645 HydrophobicContact CD2-CG 3.95Å; F1494-R1645 HydrophobicContact CE2-CG 4.19Å; D1641-R1645 PolarHBondContact O-N 2.92Å; E1643-R1645 VanDerWaalsContact C-N 3.29Å; E1643-R1645 PolarHBondContact O-N 2.93Å; R1645-A1652 HydrophobicContact CB-CB 4.03Å; R1645-A1652 HydrophobicContact CG-CB 4.09Å; R1645-A1652 CarbonylContact O-C 3.58Å; R1645-E1749 IonicContact CZ-OE1 3.66Å; R1645-E1749 VanDerWaalsContact CZ-OE1 3.25Å; R1645-E1749 IonicContact CZ-OE2 2.72Å; R1645-E1749 IonicContact NH1-OE1 3.57Å; R1645-E1749 PolarHBondContact NH1-OE1 2.85Å; R1645-E1749 IonicContact NH1-OE2 2.74Å; R1645-E1749 IonicContact NH2-OE1 2.68Å; R1645-E1749 PolarHBondContact NH2-OE1 3.47Å; R1645-E1749 IonicContact NH2-OE2 3.15Å; R1645-E1749 PolarHBondContact NH2-OE2 3.12Å; R1645-I1772 HydrophobicContact CB-CD1 3.93Å |
| 1646 | R | 93 | Very high | 92.7 | Very high | 63 Ų | 63 | 21.8 Ų | 21.8 | 24% | 0.238 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -77.6 | -31.4 | 175.8 | 175.1 | 61.3 | -170 | 94.4 | -2.3 | 113.3 | E1552 L1613 L1642 E1643 N1644 | E1552-R1646 IonicContact OE1-NH2 3.37Å; E1552-R1646 IonicContact OE2-CZ 3.28Å; E1552-R1646 IonicContact OE2-NE 3.43Å; E1552-R1646 PolarHBondContact OE2-NE 2.97Å; E1552-R1646 IonicContact OE2-NH2 3.49Å; E1552-R1646 PolarHBondContact OE2-NH2 3.25Å; L1613-R1646 HydrophobicContact CD1-CB 3.88Å; L1613-R1646 HydrophobicContact CD1-CG 4.05Å; L1642-R1646 VanDerWaalsContact O-CB 3.26Å; L1642-R1646 WeakPolarHBondContact O-CB 3.4Å; L1642-R1646 PolarHBondContact O-N 2.85Å; E1643-R1646 PolarHBondContact O-N 3.14Å; N1644-R1646 VanDerWaalsContact C-N 3.3Å; N1644-R1646 PolarHBondContact O-N 3.35Å |
| 1647 | L | 90.2 | Very high | 92.7 | Very high | 20 Ų | 20 | 22.1 Ų | 22.1 | 11% | 0.105 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -94.8 | -25.4 | -173.4 | -66.5 | 178.3 | 0 | 0 | 0 | 114.4 | W1301 F1497 V1547 E1643 N1644 | W1301-L1647 HydrophobicContact CZ2-CD1 4.29Å; W1301-L1647 HydrophobicContact CZ2-CD2 4.25Å; F1497-L1647 HydrophobicContact CB-CB 4.15Å; F1497-L1647 HydrophobicContact CD1-CB 3.96Å; F1497-L1647 HydrophobicContact CD1-CD1 3.7Å; F1497-L1647 HydrophobicContact CD1-CG 4.28Å; F1497-L1647 HydrophobicContact CE1-CD1 3.82Å; F1497-L1647 HydrophobicContact CE1-CD2 4.38Å; F1497-L1647 HydrophobicContact CG-CB 4.05Å; V1547-L1647 HydrophobicContact CG1-CD2 3.7Å; V1547-L1647 HydrophobicContact CG2-CD2 4.49Å; E1643-L1647 HydrophobicContact CG-CD1 3.44Å; E1643-L1647 VanDerWaalsContact CG-CD1 3.44Å; E1643-L1647 HydrophobicContact CG-CG 4.11Å; E1643-L1647 WeakPolarHBondContact O-CB 3.4Å; E1643-L1647 VanDerWaalsContact O-CG 3.27Å; E1643-L1647 WeakPolarHBondContact O-CG 3.42Å; E1643-L1647 PolarHBondContact O-N 3.1Å; N1644-L1647 PolarHBondContact O-N 3.16Å |
| 1648 | T | 90.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 24 Ų | 24 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | trans | -59 | 137.2 | -177.9 | -179.4 | 0 | 0 | 0 | 0 | 113.5 | F1494 D1496 N1644 Y1650 R1651 A1652 | F1494-T1648 HydrophobicContact CB-CG2 4.24Å; F1494-T1648 HydrophobicContact CD1-CG2 3.62Å; F1494-T1648 HydrophobicContact CE1-CG2 4.18Å; F1494-T1648 HydrophobicContact CG-CG2 4.03Å; D1496-T1648 WeakPolarHBondContact OD1-CA 3.41Å; D1496-T1648 WeakPolarHBondContact OD1-CB 3.39Å; D1496-T1648 PolarHBondContact OD1-OG1 2.84Å; N1644-T1648 WeakPolarHBondContact O-CB 3.48Å; N1644-T1648 WeakPolarHBondContact O-CG2 3.48Å; N1644-T1648 PolarHBondContact O-N 3.11Å; T1648-Y1650 PolarHBondContact O-N 3.48Å; T1648-Y1650 VanDerWaalsContact O-N 3.14Å; T1648-Y1650 WeakPolarHBondContact OG1-CD2 3.4Å; T1648-Y1650 PolarHBondContact OG1-N 3.24Å; T1648-R1651 PolarHBondContact O-N 2.87Å; T1648-R1651 VanDerWaalsContact O-N 3.11Å; T1648-A1652 HydrophobicContact CG2-CB 3.67Å | ||
| 1649 | K | 85.1 | Confident | 92.4 | Very high | 81 Ų | 81 | 23.5 Ų | 23.5 | 35% | 0.352 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19 | 173.8 | 79.3 | -164.3 | 175.8 | -179 | 0 | 113.1 | L1402 D1496 R1651 L1743 | L1402-K1649 HydrophobicContact CD2-CD 4.42Å; D1496-K1649 HydrophobicContact CB-CD 4.34Å; D1496-K1649 WeakPolarHBondContact OD2-CB 3.27Å; D1496-K1649 WeakPolarHBondContact OD2-CD 3.47Å; D1496-K1649 WeakPolarHBondContact OD2-CG 3.46Å; D1496-K1649 PolarHBondContact OD2-N 3.12Å; K1649-R1651 PolarHBondContact O-N 3.07Å; K1649-L1743 WeakPolarHBondContact O-CD2 3.32Å |
| 1650 | Y | 90.5 | Very high | 92.5 | Very high | 16 Ų | 16 | 20.9 Ų | 20.9 | 6% | 0.063 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3.3 | 177.9 | -53.7 | -53.3 | 0 | 0 | 0 | 113.1 | G1490 F1491 F1494 D1496 T1648 P1742 L1743 V1744 | G1490-Y1650 PolarHBondContact O-OH 2.84Å; F1491-Y1650 HydrophobicContact CB-CD2 4.22Å; F1491-Y1650 HydrophobicContact CB-CE2 4.48Å; F1491-Y1650 HydrophobicContact CD1-CD1 4.29Å; F1491-Y1650 HydrophobicContact CD1-CD2 4.05Å; F1491-Y1650 AromaticContact CD1-CG 3.89Å; F1491-Y1650 HydrophobicContact CD1-CG 3.89Å; F1491-Y1650 HydrophobicContact CE1-CG 4.46Å; F1491-Y1650 HydrophobicContact CG-CD2 4.45Å; F1491-Y1650 VanDerWaalsContact O-CE2 3.27Å; F1491-Y1650 WeakPolarHBondContact O-CE2 3.26Å; F1494-Y1650 HydrophobicContact CD1-CD2 4.09Å; F1494-Y1650 HydrophobicContact CE1-CD2 4.33Å; D1496-Y1650 HydrophobicContact CB-CE2 4.26Å; T1648-Y1650 PolarHBondContact O-N 3.48Å; T1648-Y1650 VanDerWaalsContact O-N 3.14Å; T1648-Y1650 WeakPolarHBondContact OG1-CD2 3.4Å; T1648-Y1650 PolarHBondContact OG1-N 3.24Å; Y1650-P1742 WeakPolarHBondContact CD1-O 3.46Å; Y1650-L1743 CarbonylContact O-C 3.28Å; Y1650-L1743 WeakPolarHBondContact O-CA 3.41Å; Y1650-V1744 PolarHBondContact O-N 2.9Å |
| 1651 | R | 92.4 | Very high | 92.3 | Very high | 38 Ų | 38 | 20.8 Ų | 20.8 | 14% | 0.143 | 10% | 0.098 | C | C | . | . | trans | 60.5 | 49.1 | 173.6 | -160.1 | -167.8 | -171.2 | -101.7 | -8.6 | 113.5 | T1648 K1649 T1653 C1654 D1670 I1677 L1743 | T1648-R1651 PolarHBondContact O-N 2.87Å; T1648-R1651 VanDerWaalsContact O-N 3.11Å; K1649-R1651 PolarHBondContact O-N 3.07Å; R1651-T1653 PolarHBondContact O-N 3.11Å; R1651-C1654 PolarHBondContact NH1-O 3.45Å; R1651-D1670 IonicContact CZ-OD2 3.45Å; R1651-D1670 IonicContact NH1-OD2 3Å; R1651-D1670 PolarHBondContact NH1-OD2 2.82Å; R1651-D1670 VanDerWaalsContact NH2-CG 3.3Å; R1651-D1670 IonicContact NH2-OD1 2.8Å; R1651-D1670 PolarHBondContact NH2-OD1 2.98Å; R1651-D1670 IonicContact NH2-OD2 3.64Å; R1651-D1670 PolarHBondContact NH2-OD2 2.81Å; R1651-I1677 VanDerWaalsContact NH2-CD1 3.26Å; R1651-L1743 HydrophobicContact CB-CD2 4.06Å | ||
| 1652 | A | 93.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 31.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1485 F1494 R1645 T1648 V1744 | L1485-A1652 HydrophobicContact CD2-CB 4.3Å; F1494-A1652 HydrophobicContact CD1-CB 4.3Å; F1494-A1652 HydrophobicContact CD2-CB 4.32Å; F1494-A1652 HydrophobicContact CE1-CB 3.81Å; F1494-A1652 HydrophobicContact CE2-CB 3.85Å; F1494-A1652 HydrophobicContact CZ-CB 3.58Å; R1645-A1652 HydrophobicContact CB-CB 4.03Å; R1645-A1652 HydrophobicContact CG-CB 4.09Å; R1645-A1652 CarbonylContact O-C 3.58Å; T1648-A1652 HydrophobicContact CG2-CB 3.67Å; A1652-V1744 HydrophobicContact CB-CG2 3.87Å |
| 1653 | T | 93.7 | Very high | 91.7 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 11% | 0.11 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -44.3 | -178 | 52.5 | 0 | 0 | 0 | 0 | 113 | R1651 D1771 I1772 | R1651-T1653 PolarHBondContact O-N 3.11Å; T1653-D1771 CarbonylContact O-C 3.42Å; T1653-D1771 VanDerWaalsContact O-CA 3.26Å; T1653-D1771 WeakPolarHBondContact O-CA 3.39Å; T1653-I1772 WeakPolarHBondContact CB-O 3.43Å; T1653-I1772 HydrophobicContact CG2-CB 4.41Å; T1653-I1772 PolarHBondContact O-N 3.49Å |
| 1654 | C | 94.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -150.4 | 117.2 | 173.2 | -171.9 | 0 | 0 | 0 | 0 | 107.6 | R1651 D1771 F1773 | R1651-C1654 PolarHBondContact NH1-O 3.45Å; C1654-D1771 PolarHBondContact SG-OD1 3.42Å; C1654-F1773 HydrophobicContact CB-CE1 3.93Å; C1654-F1773 HydrophobicContact CB-CZ 4.41Å |
| 1655 | G | 92.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 136.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1657 V1744 K1745 | G1655-P1657 WeakPolarHBondContact O-CD 3.2Å; G1655-V1744 WeakPolarHBondContact CA-O 3.21Å; G1655-K1745 WeakPolarHBondContact CA-O 3.38Å |
| 1656 | L | 94.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 120.1 | -176.3 | -63.1 | 175.1 | 0 | 0 | 0 | 112.7 | W1668 L1735 L1738 L1743 V1744 E1746 | L1656-W1668 HydrophobicContact CD2-CH2 4.13Å; L1656-L1735 HydrophobicContact CB-CD1 4.18Å; L1656-L1735 HydrophobicContact CD2-CD1 3.93Å; L1656-L1735 HydrophobicContact CG-CD1 4.49Å; L1656-L1738 HydrophobicContact CD1-CB 3.81Å; L1656-L1743 HydrophobicContact CD1-CB 3.84Å; L1656-L1743 HydrophobicContact CD1-CD1 3.87Å; L1656-V1744 PolarHBondContact N-O 3.14Å; L1656-E1746 WeakPolarHBondContact O-CB 3.49Å; L1656-E1746 PolarHBondContact O-N 2.93Å |
| 1657 | P | 93 | Very high | 90.3 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 162.1 | 169.5 | 27.8 | -33.7 | 0 | 0 | 0 | 111 | G1655 W1668 L1735 N1739 E1746 | G1655-P1657 WeakPolarHBondContact O-CD 3.2Å; P1657-W1668 HydrophobicContact CG-CE3 3.77Å; P1657-W1668 HydrophobicContact CG-CZ3 3.75Å; P1657-L1735 HydrophobicContact CG-CD2 4.14Å; P1657-L1735 WeakPolarHBondContact O-CD2 3.32Å; P1657-N1739 PolarHBondContact O-ND2 3.32Å; P1657-E1746 WeakPolarHBondContact CB-OE2 3.49Å |
| 1658 | Q | 90.9 | Very high | 90.4 | Very high | 88 Ų | 88 | 26.2 Ų | 26.2 | 41% | 0.411 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -70.8 | -41.2 | -178.4 | -51.4 | -177.3 | 19.5 | 0 | 0 | 111.7 | D1476 T1477 N1739 | D1476-Q1658 HydrophobicContact CB-CB 4.02Å; D1476-Q1658 HydrophobicContact CB-CG 4.12Å; D1476-Q1658 PolarHBondContact OD2-N 3.01Å; T1477-Q1658 PolarHBondContact O-NE2 2.8Å; T1477-Q1658 PolarHBondContact OG1-NE2 2.84Å; Q1658-N1739 PolarHBondContact O-ND2 3.49Å |
| 1659 | S | 90.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -121.5 | 140.9 | -177.6 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | D1476 C1661 | D1476-S1659 VanDerWaalsContact OD1-CB 3.26Å; D1476-S1659 WeakPolarHBondContact OD1-CB 3.47Å; D1476-S1659 PolarHBondContact OD1-OG 2.96Å; D1476-S1659 WeakPolarHBondContact OD2-CA 3.26Å; D1476-S1659 VanDerWaalsContact OD2-CB 3.23Å; D1476-S1659 WeakPolarHBondContact OD2-CB 3.37Å; D1476-S1659 PolarHBondContact OD2-N 2.92Å; D1476-S1659 PolarHBondContact OD2-OG 3.2Å; S1659-C1661 PolarHBondContact O-N 3.46Å |
| 1660 | Y | 93.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 23.2 Ų | 23.2 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | trans | -83.8 | 105.3 | 179.1 | 176.4 | -103.8 | 0 | 0 | 0 | 110.4 | V1662 W1668 L1673 P1674 G1727 P1728 E1731 R1732 | Y1660-V1662 HydrophobicContact CE1-CG1 3.91Å; Y1660-W1668 HydrophobicContact CD2-CB 4.16Å; Y1660-W1668 AromaticContact CD2-CD2 3.69Å; Y1660-W1668 HydrophobicContact CD2-CD2 3.69Å; Y1660-W1668 AromaticContact CD2-CE3 3.57Å; Y1660-W1668 HydrophobicContact CD2-CE3 3.57Å; Y1660-W1668 AromaticContact CD2-CG 3.98Å; Y1660-W1668 HydrophobicContact CD2-CG 3.98Å; Y1660-W1668 HydrophobicContact CD2-CZ3 4.22Å; Y1660-W1668 HydrophobicContact CE2-CB 3.75Å; Y1660-W1668 AromaticContact CE2-CD1 3.96Å; Y1660-W1668 AromaticContact CE2-CD2 3.58Å; Y1660-W1668 HydrophobicContact CE2-CD2 3.58Å; Y1660-W1668 AromaticContact CE2-CE3 4Å; Y1660-W1668 HydrophobicContact CE2-CE3 4Å; Y1660-W1668 AromaticContact CE2-CG 3.48Å; Y1660-W1668 HydrophobicContact CE2-CG 3.48Å; Y1660-W1668 VanDerWaalsContact CE2-CG 3.48Å; Y1660-L1673 WeakPolarHBondContact OH-CD2 3.27Å; Y1660-P1674 HydrophobicContact CD2-CG 3.38Å; Y1660-P1674 HydrophobicContact CE2-CG 3.66Å; Y1660-P1674 HydrophobicContact CG-CG 4.04Å; Y1660-G1727 PolarHBondContact O-N 3.32Å; Y1660-P1728 HydrophobicContact CE1-CG 4.14Å; Y1660-E1731 HydrophobicContact CD1-CB 3.58Å; Y1660-E1731 HydrophobicContact CE1-CB 3.48Å; Y1660-E1731 VanDerWaalsContact CE1-CB 3.48Å; Y1660-E1731 HydrophobicContact CE1-CG 4.08Å; Y1660-E1731 HydrophobicContact CE2-CB 4.42Å; Y1660-E1731 HydrophobicContact CG-CB 4.11Å; Y1660-R1732 HydrophobicContact CD1-CG 4.22Å | ||
| 1661 | C | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -111.1 | 140.6 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | S1659 N1666 W1668 H1725 | S1659-C1661 PolarHBondContact O-N 3.46Å; C1661-N1666 HydrophobicContact CB-CB 4.05Å; C1661-N1666 WeakPolarHBondContact CB-O 3.39Å; C1661-W1668 PolarHBondContact O-N 2.92Å; C1661-H1725 CarbonylContact C-O 3.59Å; C1661-H1725 WeakPolarHBondContact CA-O 3.24Å; C1661-H1725 HydrophobicContact CB-CB 3.96Å; C1661-H1725 WeakPolarHBondContact CB-O 3.01Å |
| 1662 | V | 89.5 | Confident | 90.9 | Very high | 67 Ų | 67 | 24.9 Ų | 24.9 | 41% | 0.406 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -97.1 | -4.8 | 179.8 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | Y1660 Q1667 H1725 | Y1660-V1662 HydrophobicContact CE1-CG1 3.91Å; V1662-Q1667 PolarHBondContact O-NE2 2.94Å; V1662-H1725 PolarHBondContact N-O 2.81Å |
| 1663 | S | 86.9 | Confident | 90.9 | Very high | 44 Ų | 44 | 27.9 Ų | 27.9 | 31% | 0.308 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -155.3 | 177.7 | 179.7 | 61.1 | 0 | 0 | 0 | 0 | 110.5 | H1725 | S1663-H1725 WeakPolarHBondContact O-CB 3.44Å; S1663-H1725 PolarHBondContact OG-ND1 3.21Å |
| 1664 | G | 82.5 | Confident | 91 | Very high | 33 Ų | 33 | 27 Ų | 27 | 34% | 0.34 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 75.1 | -170.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1666 Q1667 | G1664-N1666 PolarHBondContact O-N 2.86Å; G1664-Q1667 WeakPolarHBondContact O-CB 3.49Å; G1664-Q1667 PolarHBondContact O-N 3.23Å; G1664-Q1667 VanDerWaalsContact O-N 3.09Å |
| 1665 | P | 82.5 | Confident | 91 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 10% | 0.104 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.6 | -174.2 | 30.7 | -40.2 | 0 | 0 | 0 | 114.1 | I1451 Y1470 Y1475 F1784 | I1451-P1665 HydrophobicContact CG2-CG 4.01Å; Y1470-P1665 HydrophobicContact CE2-CB 4.29Å; Y1470-P1665 HydrophobicContact CE2-CG 3.9Å; Y1475-P1665 HydrophobicContact CD2-CG 4.38Å; P1665-F1784 WeakPolarHBondContact O-CE1 3.42Å |
| 1666 | N | 87.5 | Confident | 91.1 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 16.5 | 179.2 | -65.8 | -46.1 | 0 | 0 | 0 | 112.6 | K1456 Y1470 C1661 G1664 W1668 | K1456-N1666 WeakPolarHBondContact CD-OD1 3.38Å; K1456-N1666 WeakPolarHBondContact CE-OD1 3.19Å; K1456-N1666 PolarHBondContact NZ-OD1 3.06Å; Y1470-N1666 PolarHBondContact OH-ND2 3.39Å; Y1470-N1666 PolarHBondContact OH-OD1 3.43Å; Y1470-N1666 VanDerWaalsContact OH-OD1 3.08Å; C1661-N1666 HydrophobicContact CB-CB 4.05Å; C1661-N1666 WeakPolarHBondContact CB-O 3.39Å; G1664-N1666 PolarHBondContact O-N 2.86Å; N1666-W1668 PolarHBondContact O-N 3.46Å |
| 1667 | Q | 90 | Very high | 91 | Very high | 72 Ų | 72 | 31.5 Ų | 31.5 | 34% | 0.336 | 17% | 0.172 | S | C | . | . | B | Isolated β-bridge | trans | -56.6 | 133.4 | -177.8 | -174.4 | 169.6 | 25.6 | 0 | 0 | 111.9 | V1662 G1664 R1669 P1782 | V1662-Q1667 PolarHBondContact O-NE2 2.94Å; G1664-Q1667 WeakPolarHBondContact O-CB 3.49Å; G1664-Q1667 PolarHBondContact O-N 3.23Å; G1664-Q1667 VanDerWaalsContact O-N 3.09Å; Q1667-R1669 PolarHBondContact O-N 3.17Å; Q1667-P1782 VanDerWaalsContact CD-CG 3.48Å; Q1667-P1782 HydrophobicContact CG-CG 4.1Å |
| 1668 | W | 92.9 | Very high | 91 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | trans | -59.3 | 125.2 | 177.7 | -173 | -101 | 0 | 0 | 0 | 112.6 | L1656 P1657 Y1660 C1661 N1666 D1670 K1672 P1674 I1677 L1735 | L1656-W1668 HydrophobicContact CD2-CH2 4.13Å; P1657-W1668 HydrophobicContact CG-CE3 3.77Å; P1657-W1668 HydrophobicContact CG-CZ3 3.75Å; Y1660-W1668 HydrophobicContact CD2-CB 4.16Å; Y1660-W1668 AromaticContact CD2-CD2 3.69Å; Y1660-W1668 HydrophobicContact CD2-CD2 3.69Å; Y1660-W1668 AromaticContact CD2-CE3 3.57Å; Y1660-W1668 HydrophobicContact CD2-CE3 3.57Å; Y1660-W1668 AromaticContact CD2-CG 3.98Å; Y1660-W1668 HydrophobicContact CD2-CG 3.98Å; Y1660-W1668 HydrophobicContact CD2-CZ3 4.22Å; Y1660-W1668 HydrophobicContact CE2-CB 3.75Å; Y1660-W1668 AromaticContact CE2-CD1 3.96Å; Y1660-W1668 AromaticContact CE2-CD2 3.58Å; Y1660-W1668 HydrophobicContact CE2-CD2 3.58Å; Y1660-W1668 AromaticContact CE2-CE3 4Å; Y1660-W1668 HydrophobicContact CE2-CE3 4Å; Y1660-W1668 AromaticContact CE2-CG 3.48Å; Y1660-W1668 HydrophobicContact CE2-CG 3.48Å; Y1660-W1668 VanDerWaalsContact CE2-CG 3.48Å; C1661-W1668 PolarHBondContact O-N 2.92Å; N1666-W1668 PolarHBondContact O-N 3.46Å; W1668-D1670 HydrophobicContact CD2-CB 4.43Å; W1668-D1670 HydrophobicContact CH2-CB 4.45Å; W1668-D1670 HydrophobicContact CZ2-CB 3.53Å; W1668-D1670 PolarHBondContact NE1-O 3.19Å; W1668-K1672 WeakPolarHBondContact CZ2-O 3.45Å; W1668-K1672 PolarHBondContact NE1-O 3.2Å; W1668-P1674 HydrophobicContact CD2-CG 4.49Å; W1668-P1674 HydrophobicContact CE3-CG 4.4Å; W1668-P1674 HydrophobicContact CH2-CB 4.5Å; W1668-P1674 HydrophobicContact CH2-CG 3.75Å; W1668-P1674 HydrophobicContact CZ2-CG 3.82Å; W1668-P1674 HydrophobicContact CZ3-CG 4.03Å; W1668-I1677 HydrophobicContact CH2-CD1 3.92Å; W1668-I1677 HydrophobicContact CZ2-CD1 3.53Å; W1668-L1735 HydrophobicContact CH2-CD1 4.05Å; W1668-L1735 HydrophobicContact CZ3-CD1 3.76Å; W1668-L1735 HydrophobicContact CZ3-CD2 3.93Å; W1668-L1735 HydrophobicContact CZ3-CG 4.44Å | ||
| 1669 | R | 92.1 | Very high | 91.1 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 4% | 0.038 | 17% | 0.167 | C | C | . | . | trans | -101.6 | -17.7 | -176.5 | -53.4 | -166.7 | -53 | -72.6 | 0.5 | 114.8 | Q1667 E1746 D1771 G1781 F1784 | Q1667-R1669 PolarHBondContact O-N 3.17Å; R1669-E1746 IonicContact NH1-OE1 2.68Å; R1669-E1746 PolarHBondContact NH1-OE1 2.82Å; R1669-E1746 VanDerWaalsContact NH1-OE1 3.12Å; R1669-D1771 IonicContact CZ-OD1 3.58Å; R1669-D1771 IonicContact CZ-OD2 3.29Å; R1669-D1771 IonicContact NE-OD2 2.82Å; R1669-D1771 PolarHBondContact NE-OD2 3.1Å; R1669-D1771 IonicContact NH2-OD1 2.97Å; R1669-D1771 PolarHBondContact NH2-OD1 3.29Å; R1669-D1771 IonicContact NH2-OD2 2.76Å; R1669-D1771 PolarHBondContact NH2-OD2 2.9Å; R1669-D1771 VanDerWaalsContact NH2-OD2 3.1Å; R1669-G1781 WeakPolarHBondContact O-CA 3.49Å; R1669-G1781 PolarHBondContact O-N 2.63Å; R1669-F1784 HydrophobicContact CG-CD1 4.42Å; R1669-F1784 HydrophobicContact CG-CE1 4.12Å; R1669-F1784 HydrophobicContact CG-CZ 4.24Å | ||
| 1670 | D | 92.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | trans | -73.3 | 142.7 | -170.6 | -153.5 | -61 | 0 | 0 | 0 | 111.8 | R1651 W1668 K1672 | R1651-D1670 IonicContact CZ-OD2 3.45Å; R1651-D1670 IonicContact NH1-OD2 3Å; R1651-D1670 PolarHBondContact NH1-OD2 2.82Å; R1651-D1670 VanDerWaalsContact NH2-CG 3.3Å; R1651-D1670 IonicContact NH2-OD1 2.8Å; R1651-D1670 PolarHBondContact NH2-OD1 2.98Å; R1651-D1670 IonicContact NH2-OD2 3.64Å; R1651-D1670 PolarHBondContact NH2-OD2 2.81Å; W1668-D1670 HydrophobicContact CD2-CB 4.43Å; W1668-D1670 HydrophobicContact CH2-CB 4.45Å; W1668-D1670 HydrophobicContact CZ2-CB 3.53Å; W1668-D1670 PolarHBondContact NE1-O 3.19Å; D1670-K1672 PolarHBondContact O-N 2.95Å; D1670-K1672 PolarHBondContact OD1-N 3.41Å; D1670-K1672 VanDerWaalsContact OD1-N 3.08Å | ||
| 1671 | S | 90.7 | Very high | 90.6 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -63 | -25.1 | 174.2 | -52.6 | 0 | 0 | 0 | 0 | 112.4 | P1780 | S1671-P1780 VanDerWaalsContact OG-CA 3.31Å; S1671-P1780 WeakPolarHBondContact OG-CA 3.37Å |
| 1672 | K | 92.2 | Very high | 90.2 | Very high | 60 Ų | 60 | 31.8 Ų | 31.8 | 26% | 0.261 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -102.2 | 147.5 | 178 | -72.8 | -173.9 | 172.5 | -179.4 | 0 | 112.2 | W1668 D1670 E1676 I1677 L1777 | W1668-K1672 WeakPolarHBondContact CZ2-O 3.45Å; W1668-K1672 PolarHBondContact NE1-O 3.2Å; D1670-K1672 PolarHBondContact O-N 2.95Å; D1670-K1672 PolarHBondContact OD1-N 3.41Å; D1670-K1672 VanDerWaalsContact OD1-N 3.08Å; K1672-E1676 WeakPolarHBondContact CA-OE2 3.49Å; K1672-E1676 HydrophobicContact CB-CB 4.28Å; K1672-I1677 HydrophobicContact CB-CD1 4.22Å; K1672-I1677 HydrophobicContact CB-CG1 3.71Å; K1672-I1677 HydrophobicContact CD-CG1 4.47Å; K1672-L1777 HydrophobicContact CD-CD1 4.49Å |
| 1673 | L | 93.9 | Very high | 89.8 | Confident | 67 Ų | 67 | 33 Ų | 33 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | trans | -72.3 | 151.5 | 168.9 | -64.9 | 174.9 | 0 | 0 | 0 | 111.1 | Y1660 S1675 E1676 I1677 | Y1660-L1673 WeakPolarHBondContact OH-CD2 3.27Å; L1673-S1675 PolarHBondContact O-N 2.86Å; L1673-S1675 VanDerWaalsContact O-N 3.13Å; L1673-E1676 HydrophobicContact CB-CG 4.14Å; L1673-E1676 PolarHBondContact N-OE2 3.09Å; L1673-E1676 WeakPolarHBondContact O-CB 3.32Å; L1673-E1676 PolarHBondContact O-N 2.79Å; L1673-I1677 WeakPolarHBondContact O-CG1 3.49Å; L1673-I1677 PolarHBondContact O-N 3.07Å | ||
| 1674 | P | 95.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -50.3 | -38.5 | 176.9 | -30.2 | 35.3 | 0 | 0 | 0 | 114.9 | Y1660 W1668 I1677 L1678 E1731 A1734 L1735 L1738 | Y1660-P1674 HydrophobicContact CD2-CG 3.38Å; Y1660-P1674 HydrophobicContact CE2-CG 3.66Å; Y1660-P1674 HydrophobicContact CG-CG 4.04Å; W1668-P1674 HydrophobicContact CD2-CG 4.49Å; W1668-P1674 HydrophobicContact CE3-CG 4.4Å; W1668-P1674 HydrophobicContact CH2-CB 4.5Å; W1668-P1674 HydrophobicContact CH2-CG 3.75Å; W1668-P1674 HydrophobicContact CZ2-CG 3.82Å; W1668-P1674 HydrophobicContact CZ3-CG 4.03Å; P1674-I1677 PolarHBondContact O-N 3.47Å; P1674-L1678 WeakPolarHBondContact O-CB 3.49Å; P1674-L1678 PolarHBondContact O-N 3.42Å; P1674-E1731 HydrophobicContact CB-CB 4.39Å; P1674-E1731 WeakPolarHBondContact CB-O 3.41Å; P1674-E1731 HydrophobicContact CG-CB 4.09Å; P1674-A1734 HydrophobicContact CB-CB 3.86Å; P1674-L1735 HydrophobicContact CB-CB 3.99Å; P1674-L1735 HydrophobicContact CG-CB 4.19Å; P1674-L1738 HydrophobicContact CB-CD1 4.48Å; P1674-L1738 WeakPolarHBondContact O-CD1 3.45Å |
| 1675 | S | 95.2 | Very high | 88.8 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.9 | -28.3 | 177.4 | 59 | 0 | 0 | 0 | 0 | 114.2 | L1673 L1679 Y1692 K1730 E1731 | L1673-S1675 PolarHBondContact O-N 2.86Å; L1673-S1675 VanDerWaalsContact O-N 3.13Å; S1675-L1679 WeakPolarHBondContact O-CB 3.33Å; S1675-L1679 PolarHBondContact O-N 3.05Å; S1675-Y1692 WeakPolarHBondContact CB-OH 2.92Å; S1675-K1730 PolarHBondContact OG-NZ 3.04Å; S1675-E1731 WeakPolarHBondContact CB-OE2 3.49Å; S1675-E1731 PolarHBondContact N-OE2 2.86Å; S1675-E1731 PolarHBondContact OG-OE1 2.93Å; S1675-E1731 PolarHBondContact OG-OE2 3.33Å |
| 1676 | E | 94.2 | Very high | 88.4 | Confident | 91 Ų | 91 | 35.5 Ų | 35.5 | 43% | 0.425 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -76.2 | -33.6 | 174.2 | -60.2 | 173.2 | 148.4 | 0 | 0 | 111.2 | K1672 L1673 A1680 | K1672-E1676 WeakPolarHBondContact CA-OE2 3.49Å; K1672-E1676 HydrophobicContact CB-CB 4.28Å; L1673-E1676 HydrophobicContact CB-CG 4.14Å; L1673-E1676 PolarHBondContact N-OE2 3.09Å; L1673-E1676 WeakPolarHBondContact O-CB 3.32Å; L1673-E1676 PolarHBondContact O-N 2.79Å; E1676-A1680 WeakPolarHBondContact O-CB 3.33Å; E1676-A1680 PolarHBondContact O-N 2.73Å |
| 1677 | I | 93.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -46.8 | 171.6 | -62 | 164.9 | 0 | 0 | 0 | 109.6 | R1651 W1668 K1672 L1673 P1674 L1679 A1680 V1681 L1738 | R1651-I1677 VanDerWaalsContact NH2-CD1 3.26Å; W1668-I1677 HydrophobicContact CH2-CD1 3.92Å; W1668-I1677 HydrophobicContact CZ2-CD1 3.53Å; K1672-I1677 HydrophobicContact CB-CD1 4.22Å; K1672-I1677 HydrophobicContact CB-CG1 3.71Å; K1672-I1677 HydrophobicContact CD-CG1 4.47Å; L1673-I1677 WeakPolarHBondContact O-CG1 3.49Å; L1673-I1677 PolarHBondContact O-N 3.07Å; P1674-I1677 PolarHBondContact O-N 3.47Å; I1677-L1679 VanDerWaalsContact C-N 3.3Å; I1677-L1679 PolarHBondContact O-N 3.3Å; I1677-A1680 PolarHBondContact O-N 2.79Å; I1677-V1681 HydrophobicContact CG2-CG2 4.32Å; I1677-V1681 WeakPolarHBondContact O-CB 3.38Å; I1677-V1681 VanDerWaalsContact O-CG2 3.29Å; I1677-V1681 WeakPolarHBondContact O-CG2 3.47Å; I1677-V1681 PolarHBondContact O-N 2.73Å; I1677-L1738 HydrophobicContact CB-CD1 3.88Å; I1677-L1738 HydrophobicContact CG2-CD1 3.69Å; I1677-L1738 HydrophobicContact CG2-CD2 3.94Å |
| 1678 | L | 92.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -38.2 | 177.2 | -174.3 | 62 | 0 | 0 | 0 | 112 | P1674 C1682 P1690 V1706 A1734 I1737 L1738 | P1674-L1678 WeakPolarHBondContact O-CB 3.49Å; P1674-L1678 PolarHBondContact O-N 3.42Å; L1678-C1682 PolarHBondContact O-N 2.79Å; L1678-C1682 PolarHBondContact O-SG 3.11Å; L1678-P1690 HydrophobicContact CB-CG 4.48Å; L1678-P1690 HydrophobicContact CD2-CB 4.26Å; L1678-P1690 HydrophobicContact CD2-CG 4.15Å; L1678-P1690 HydrophobicContact CG-CB 4.47Å; L1678-P1690 HydrophobicContact CG-CG 3.82Å; L1678-V1706 HydrophobicContact CD1-CG2 4.43Å; L1678-V1706 HydrophobicContact CD2-CG2 4.07Å; L1678-V1706 HydrophobicContact CG-CG2 4.44Å; L1678-A1734 HydrophobicContact CD2-CB 4.2Å; L1678-I1737 HydrophobicContact CD1-CB 4.47Å; L1678-I1737 HydrophobicContact CD1-CG2 3.76Å; L1678-I1737 HydrophobicContact CD2-CB 4.25Å; L1678-I1737 HydrophobicContact CD2-CD1 3.99Å; L1678-I1737 HydrophobicContact CD2-CG2 4.13Å; L1678-L1738 HydrophobicContact CB-CD1 4.46Å; L1678-L1738 HydrophobicContact CB-CD2 4.2Å; L1678-L1738 HydrophobicContact CB-CG 4.27Å; L1678-L1738 HydrophobicContact CD1-CD2 3.92Å; L1678-L1738 HydrophobicContact CD1-CG 4.25Å |
| 1679 | L | 92.6 | Very high | 87.1 | Confident | 68 Ų | 68 | 38.5 Ų | 38.5 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.8 | -52.7 | 171 | 177.1 | 62.7 | 0 | 0 | 0 | 111.6 | S1675 I1677 V1681 C1682 D1683 A1689 | S1675-L1679 WeakPolarHBondContact O-CB 3.33Å; S1675-L1679 PolarHBondContact O-N 3.05Å; I1677-L1679 VanDerWaalsContact C-N 3.3Å; I1677-L1679 PolarHBondContact O-N 3.3Å; L1679-V1681 VanDerWaalsContact C-N 3.28Å; L1679-V1681 PolarHBondContact O-N 2.98Å; L1679-C1682 WeakPolarHBondContact O-CB 3.34Å; L1679-C1682 PolarHBondContact O-N 3.31Å; L1679-C1682 VanDerWaalsContact O-N 3.08Å; L1679-D1683 PolarHBondContact O-N 2.87Å; L1679-A1689 HydrophobicContact CD1-CB 3.62Å |
| 1680 | A | 87.2 | Confident | 87 | Confident | 38 Ų | 38 | 38.8 Ų | 38.8 | 31% | 0.314 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62 | -34.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1676 I1677 S1684 | E1676-A1680 WeakPolarHBondContact O-CB 3.33Å; E1676-A1680 PolarHBondContact O-N 2.73Å; I1677-A1680 PolarHBondContact O-N 2.79Å; A1680-S1684 WeakPolarHBondContact O-CB 3.11Å; A1680-S1684 PolarHBondContact O-N 2.85Å; A1680-S1684 PolarHBondContact O-OG 2.82Å |
| 1681 | V | 86.5 | Confident | 86.8 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 9% | 0.085 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -51.2 | 171.2 | 168 | 0 | 0 | 0 | 0 | 109.8 | I1677 L1679 D1683 S1684 Y1685 L1738 L1741 L1743 | I1677-V1681 HydrophobicContact CG2-CG2 4.32Å; I1677-V1681 WeakPolarHBondContact O-CB 3.38Å; I1677-V1681 VanDerWaalsContact O-CG2 3.29Å; I1677-V1681 WeakPolarHBondContact O-CG2 3.47Å; I1677-V1681 PolarHBondContact O-N 2.73Å; L1679-V1681 VanDerWaalsContact C-N 3.28Å; L1679-V1681 PolarHBondContact O-N 2.98Å; V1681-D1683 VanDerWaalsContact C-N 3.33Å; V1681-D1683 PolarHBondContact O-N 2.99Å; V1681-S1684 PolarHBondContact O-N 3.21Å; V1681-S1684 PolarHBondContact O-OG 3.35Å; V1681-Y1685 HydrophobicContact CG1-CD2 3.92Å; V1681-Y1685 HydrophobicContact CG1-CE2 4.01Å; V1681-Y1685 VanDerWaalsContact O-CD2 3.27Å; V1681-Y1685 WeakPolarHBondContact O-CD2 3.46Å; V1681-Y1685 PolarHBondContact O-N 2.81Å; V1681-Y1685 VanDerWaalsContact O-N 3.13Å; V1681-L1738 HydrophobicContact CG2-CD2 4.08Å; V1681-L1741 HydrophobicContact CG1-CD1 3.8Å; V1681-L1743 HydrophobicContact CG2-CD1 4.42Å |
| 1682 | C | 84.2 | Confident | 86.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.8 | -45.9 | 175.2 | -69.4 | 0 | 0 | 0 | 0 | 112.7 | L1678 L1679 S1684 Y1685 S1686 L1687 | L1678-C1682 PolarHBondContact O-N 2.79Å; L1678-C1682 PolarHBondContact O-SG 3.11Å; L1679-C1682 WeakPolarHBondContact O-CB 3.34Å; L1679-C1682 PolarHBondContact O-N 3.31Å; L1679-C1682 VanDerWaalsContact O-N 3.08Å; C1682-S1684 VanDerWaalsContact C-N 3.35Å; C1682-S1684 PolarHBondContact O-N 2.9Å; C1682-Y1685 CarbonylContact O-C 3.57Å; C1682-Y1685 PolarHBondContact O-N 2.66Å; C1682-S1686 PolarHBondContact O-N 2.9Å; C1682-S1686 VanDerWaalsContact O-N 3.1Å; C1682-L1687 HydrophobicContact CB-CB 4.05Å; C1682-L1687 PolarHBondContact O-N 3Å |
| 1683 | D | 81.6 | Confident | 86.2 | Confident | 94 Ų | 94 | 44.1 Ų | 44.1 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 177.9 | -66.6 | -27.4 | 0 | 0 | 0 | 111.4 | L1679 V1681 Y1685 S1686 | L1679-D1683 PolarHBondContact O-N 2.87Å; V1681-D1683 VanDerWaalsContact C-N 3.33Å; V1681-D1683 PolarHBondContact O-N 2.99Å; D1683-Y1685 VanDerWaalsContact C-N 3.3Å; D1683-Y1685 PolarHBondContact O-N 3.28Å; D1683-S1686 PolarHBondContact O-N 3.01Å |
| 1684 | S | 75.5 | Confident | 85.1 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.7 | -32.9 | 179 | 71 | 0 | 0 | 0 | 0 | 113.6 | A1680 V1681 C1682 | A1680-S1684 WeakPolarHBondContact O-CB 3.11Å; A1680-S1684 PolarHBondContact O-N 2.85Å; A1680-S1684 PolarHBondContact O-OG 2.82Å; V1681-S1684 PolarHBondContact O-N 3.21Å; V1681-S1684 PolarHBondContact O-OG 3.35Å; C1682-S1684 VanDerWaalsContact C-N 3.35Å; C1682-S1684 PolarHBondContact O-N 2.9Å |
| 1685 | Y | 72.8 | Confident | 83.6 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 9.3 | 174.3 | -68.2 | -70.6 | 0 | 0 | 0 | 113.9 | D1400 L1402 V1681 C1682 D1683 L1687 | D1400-Y1685 HydrophobicContact CB-CD1 4.01Å; L1402-Y1685 HydrophobicContact CB-CE1 4.49Å; L1402-Y1685 HydrophobicContact CD2-CE1 4.05Å; V1681-Y1685 HydrophobicContact CG1-CD2 3.92Å; V1681-Y1685 HydrophobicContact CG1-CE2 4.01Å; V1681-Y1685 VanDerWaalsContact O-CD2 3.27Å; V1681-Y1685 WeakPolarHBondContact O-CD2 3.46Å; V1681-Y1685 PolarHBondContact O-N 2.81Å; V1681-Y1685 VanDerWaalsContact O-N 3.13Å; C1682-Y1685 CarbonylContact O-C 3.57Å; C1682-Y1685 PolarHBondContact O-N 2.66Å; D1683-Y1685 VanDerWaalsContact C-N 3.3Å; D1683-Y1685 PolarHBondContact O-N 3.28Å; Y1685-L1687 VanDerWaalsContact C-N 3.28Å; Y1685-L1687 PolarHBondContact O-N 3.4Å |
| 1686 | S | 72.6 | Confident | 82.2 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35.8 | -177.3 | -61.3 | 0 | 0 | 0 | 0 | 114.5 | C1682 D1683 | C1682-S1686 PolarHBondContact O-N 2.9Å; C1682-S1686 VanDerWaalsContact O-N 3.1Å; D1683-S1686 PolarHBondContact O-N 3.01Å |
| 1687 | L | 76.5 | Confident | 80.6 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -94 | 153 | 176.3 | -63.9 | 173.2 | 0 | 0 | 0 | 111.6 | T1399 M1403 C1682 Y1685 | T1399-L1687 HydrophobicContact CG2-CD2 3.71Å; M1403-L1687 HydrophobicContact CB-CD1 4.18Å; M1403-L1687 HydrophobicContact CE-CD1 4.11Å; M1403-L1687 HydrophobicContact CG-CD1 4.29Å; M1403-L1687 HydrophobicContact SD-CD1 3.4Å; M1403-L1687 WeakPolarHBondContact SD-CD1 3.41Å; C1682-L1687 HydrophobicContact CB-CB 4.05Å; C1682-L1687 PolarHBondContact O-N 3Å; Y1685-L1687 VanDerWaalsContact C-N 3.28Å; Y1685-L1687 PolarHBondContact O-N 3.4Å |
| 1688 | P | 79.9 | Confident | 78.9 | Confident | 86 Ų | 86 | 66 Ų | 66 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 141 | 171.2 | -22.4 | 33.4 | 0 | 0 | 0 | 112.2 | ||
| 1689 | A | 87.2 | Confident | 77.4 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 45% | 0.446 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 140 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1679 Q1691 | L1679-A1689 HydrophobicContact CD1-CB 3.62Å; A1689-Q1691 PolarHBondContact O-N 3.29Å |
| 1690 | P | 90.4 | Very high | 76.1 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 125.6 | -177.1 | -25.6 | 33.4 | 0 | 0 | 0 | 113.6 | L1678 Y1692 V1706 | L1678-P1690 HydrophobicContact CB-CG 4.48Å; L1678-P1690 HydrophobicContact CD2-CB 4.26Å; L1678-P1690 HydrophobicContact CD2-CG 4.15Å; L1678-P1690 HydrophobicContact CG-CB 4.47Å; L1678-P1690 HydrophobicContact CG-CG 3.82Å; P1690-Y1692 HydrophobicContact CB-CE2 3.93Å; P1690-V1706 HydrophobicContact CB-CG2 4.18Å; P1690-V1706 HydrophobicContact CG-CG2 4.4Å |
| 1691 | Q | 89 | Confident | 75.5 | Confident | 109 Ų | 109 | 74.6 Ų | 74.6 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 101 | -178.8 | -60.8 | 175 | -5.5 | 0 | 0 | 110.4 | A1689 C1704 R1705 | A1689-Q1691 PolarHBondContact O-N 3.29Å; Q1691-C1704 CarbonylContact O-C 3.54Å; Q1691-C1704 WeakPolarHBondContact O-CA 3.39Å; Q1691-R1705 HydrophobicContact CB-CB 4.25Å; Q1691-R1705 PolarHBondContact N-O 3.12Å; Q1691-R1705 PolarHBondContact O-N 3.36Å |
| 1692 | Y | 88.1 | Confident | 75.4 | Confident | 70 Ų | 70 | 75 Ų | 75 | 28% | 0.275 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 129.2 | 173 | -63.1 | -90.2 | 0 | 0 | 0 | 110.5 | S1675 P1690 S1703 C1704 K1730 A1734 | S1675-Y1692 WeakPolarHBondContact CB-OH 2.92Å; P1690-Y1692 HydrophobicContact CB-CE2 3.93Å; Y1692-S1703 WeakPolarHBondContact CA-O 3.45Å; Y1692-C1704 HydrophobicContact CD1-CB 3.78Å; Y1692-C1704 HydrophobicContact CE1-CB 3.82Å; Y1692-C1704 HydrophobicContact CG-CB 4.48Å; Y1692-K1730 HydrophobicContact CD1-CD 4.42Å; Y1692-K1730 HydrophobicContact CD1-CG 3.86Å; Y1692-K1730 HydrophobicContact CE1-CG 3.8Å; Y1692-K1730 HydrophobicContact CG-CG 4.43Å; Y1692-A1734 WeakPolarHBondContact OH-CB 3.37Å |
| 1693 | G | 81.5 | Confident | 75.6 | Confident | 38 Ų | 38 | 76.4 Ų | 76.4 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 142.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1695 S1703 | G1693-T1695 PolarHBondContact O-N 2.91Å; G1693-S1703 PolarHBondContact N-O 2.84Å |
| 1694 | E | 70.6 | Confident | 76 | Confident | 173 Ų | 173 | 71.9 Ų | 71.9 | 81% | 0.808 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 126.8 | 174.7 | -68.9 | -175.9 | 160.7 | 0 | 0 | 111.7 | T1696 | E1694-T1696 PolarHBondContact O-N 3.42Š|
| 1695 | T | 63.9 | Low | 76.6 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 53% | 0.534 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 119 | 173 | -29.1 | 0 | 0 | 0 | 0 | 109.3 | G1693 P1700 | G1693-T1695 PolarHBondContact O-N 2.91Å; T1695-P1700 WeakPolarHBondContact CG2-O 3.17Å |
| 1696 | T | 65.4 | Low | 77.1 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -127 | 165.6 | 178.7 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | E1694 S1698 K1699 | E1694-T1696 PolarHBondContact O-N 3.42Å; T1696-S1698 PolarHBondContact O-N 3.04Å; T1696-S1698 VanDerWaalsContact O-N 3.08Å; T1696-S1698 PolarHBondContact OG1-OG 2.95Å; T1696-K1699 PolarHBondContact N-O 2.72Å; T1696-K1699 CarbonylContact O-C 3.4Å; T1696-K1699 PolarHBondContact O-N 2.8Å; T1696-K1699 PolarHBondContact OG1-N 3.4Å |
| 1697 | E | 60.3 | Low | 77.3 | Confident | 208 Ų | 208 | 72.3 Ų | 72.3 | 97% | 0.972 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.7 | 173.8 | -65.4 | -172.3 | 153.6 | 0 | 0 | 112.7 | ||
| 1698 | S | 59.2 | Low | 77.2 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 71% | 0.713 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.5 | 175.7 | 76.7 | 0 | 0 | 0 | 0 | 114.6 | T1696 | T1696-S1698 PolarHBondContact O-N 3.04Å; T1696-S1698 VanDerWaalsContact O-N 3.08Å; T1696-S1698 PolarHBondContact OG1-OG 2.95Å |
| 1699 | K | 59.8 | Low | 77.1 | Confident | 139 Ų | 139 | 79.9 Ų | 79.9 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | B | Isolated β-bridge | trans | -141.7 | 81.6 | -179.4 | -72.8 | -173.9 | 177.8 | 179.6 | 0 | 109.1 | T1696 N1701 | T1696-K1699 PolarHBondContact N-O 2.72Å; T1696-K1699 CarbonylContact O-C 3.4Å; T1696-K1699 PolarHBondContact O-N 2.8Å; T1696-K1699 PolarHBondContact OG1-N 3.4Å; K1699-N1701 PolarHBondContact O-N 2.69Å |
| 1700 | P | 66.8 | Low | 77.1 | Confident | 91 Ų | 91 | 80.7 Ų | 80.7 | 59% | 0.591 | 43% | 0.425 | S | S | * | . | trans | -71.5 | -18.4 | -176.1 | 28.5 | -35.9 | 0 | 0 | 0 | 113.4 | T1695 | T1695-P1700 WeakPolarHBondContact CG2-O 3.17Š| ||
| 1701 | N | 73.7 | Confident | 77 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 31% | 0.31 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -89.6 | 127.2 | -178.2 | -64.9 | -18 | 0 | 0 | 0 | 111.1 | K1699 V1712 E1714 | K1699-N1701 PolarHBondContact O-N 2.69Å; N1701-V1712 HydrophobicContact CB-CG1 3.7Å; N1701-E1714 WeakPolarHBondContact ND2-CB 3.47Å; N1701-E1714 PolarHBondContact ND2-OE2 2.77Å |
| 1702 | P | 83.4 | Confident | 77 | Confident | 22 Ų | 22 | 77.5 Ų | 77.5 | 14% | 0.143 | 41% | 0.411 | C | S | . | . | trans | -56.6 | 140.3 | 168.1 | -19.6 | 29.3 | 0 | 0 | 0 | 111 | L1713 P1729 L1733 | P1702-L1713 HydrophobicContact CB-CB 4.43Å; P1702-L1713 HydrophobicContact CG-CB 4.46Å; P1702-L1713 HydrophobicContact CG-CD2 3.99Å; P1702-L1713 PolarHBondContact O-N 3.36Å; P1702-L1713 VanDerWaalsContact O-N 3.07Å; P1702-P1729 HydrophobicContact CG-CB 3.52Å; P1702-L1733 HydrophobicContact CB-CD2 4.23Å | ||
| 1703 | S | 88.9 | Confident | 77 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 22% | 0.217 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152 | 174.4 | 56 | 0 | 0 | 0 | 0 | 110.6 | Y1692 G1693 F1711 | Y1692-S1703 WeakPolarHBondContact CA-O 3.45Å; G1693-S1703 PolarHBondContact N-O 2.84Å; S1703-F1711 CarbonylContact C-O 3.6Å; S1703-F1711 WeakPolarHBondContact CA-O 3.4Å; S1703-F1711 WeakPolarHBondContact CB-O 2.95Å |
| 1704 | C | 91.4 | Very high | 77.2 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 130.2 | -179.4 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | Q1691 Y1692 F1711 L1733 I1737 | Q1691-C1704 CarbonylContact O-C 3.54Å; Q1691-C1704 WeakPolarHBondContact O-CA 3.39Å; Y1692-C1704 HydrophobicContact CD1-CB 3.78Å; Y1692-C1704 HydrophobicContact CE1-CB 3.82Å; Y1692-C1704 HydrophobicContact CG-CB 4.48Å; C1704-F1711 PolarHBondContact N-O 3.18Å; C1704-F1711 PolarHBondContact O-N 2.81Å; C1704-L1733 HydrophobicContact CB-CD2 3.71Å; C1704-L1733 HydrophobicContact CB-CG 4.18Å; C1704-I1737 HydrophobicContact CB-CD1 3.89Å |
| 1705 | R | 86.9 | Confident | 77.9 | Confident | 121 Ų | 121 | 75.2 Ų | 75.2 | 46% | 0.457 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.7 | 172.1 | -178 | -174.8 | -73.9 | 142.1 | -8.2 | 110.2 | Q1691 G1707 R1709 V1710 | Q1691-R1705 HydrophobicContact CB-CB 4.25Å; Q1691-R1705 PolarHBondContact N-O 3.12Å; Q1691-R1705 PolarHBondContact O-N 3.36Å; R1705-G1707 WeakPolarHBondContact CG-O 3.48Å; R1705-R1709 CarbonylContact C-O 3.57Å; R1705-R1709 VanDerWaalsContact CA-O 3.28Å; R1705-R1709 WeakPolarHBondContact CA-O 3.41Å; R1705-V1710 HydrophobicContact CB-CG2 4.13Å; R1705-V1710 HydrophobicContact CG-CG2 4.16Å |
| 1706 | V | 83.6 | Confident | 79 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.03 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.5 | 172.1 | 179 | 0 | 0 | 0 | 0 | 107.8 | M1403 L1678 P1690 Q1708 R1709 F1711 I1737 | M1403-V1706 HydrophobicContact CE-CG1 4.47Å; L1678-V1706 HydrophobicContact CD1-CG2 4.43Å; L1678-V1706 HydrophobicContact CD2-CG2 4.07Å; L1678-V1706 HydrophobicContact CG-CG2 4.44Å; P1690-V1706 HydrophobicContact CB-CG2 4.18Å; P1690-V1706 HydrophobicContact CG-CG2 4.4Å; V1706-Q1708 PolarHBondContact O-N 3.16Å; V1706-R1709 PolarHBondContact N-O 3.48Å; V1706-R1709 PolarHBondContact O-N 3.39Å; V1706-R1709 VanDerWaalsContact O-N 3.08Å; V1706-F1711 HydrophobicContact CB-CE2 4.25Å; V1706-I1737 HydrophobicContact CG2-CG2 4.46Å |
| 1707 | G | 76.2 | Confident | 80 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -126.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1705 | R1705-G1707 WeakPolarHBondContact CG-O 3.48Š|
| 1708 | Q | 74.6 | Confident | 81 | Confident | 196 Ų | 196 | 72.9 Ų | 72.9 | 92% | 0.916 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -12 | 176.6 | -61.1 | -167.2 | 6.4 | 0 | 0 | 114.1 | V1706 | V1706-Q1708 PolarHBondContact O-N 3.16Š|
| 1709 | R | 79.1 | Confident | 81.8 | Confident | 68 Ų | 68 | 71 Ų | 71 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138.2 | -172.1 | -168.7 | 162.5 | -179 | 153.7 | -7.5 | 111.7 | I1405 L1408 R1705 V1706 F1711 | I1405-R1709 HydrophobicContact CD1-CB 4.38Å; I1405-R1709 HydrophobicContact CG2-CB 4.1Å; I1405-R1709 HydrophobicContact CG2-CG 4.48Å; L1408-R1709 PolarHBondContact O-NH1 3.34Å; L1408-R1709 PolarHBondContact O-NH2 2.73Å; R1705-R1709 CarbonylContact C-O 3.57Å; R1705-R1709 VanDerWaalsContact CA-O 3.28Å; R1705-R1709 WeakPolarHBondContact CA-O 3.41Å; V1706-R1709 PolarHBondContact N-O 3.48Å; V1706-R1709 PolarHBondContact O-N 3.39Å; V1706-R1709 VanDerWaalsContact O-N 3.08Å; R1709-F1711 HydrophobicContact CB-CE2 4.03Å; R1709-F1711 HydrophobicContact CB-CZ 4.25Å; R1709-F1711 HydrophobicContact CG-CD2 4.42Å; R1709-F1711 HydrophobicContact CG-CE1 4.18Å; R1709-F1711 HydrophobicContact CG-CE2 3.91Å; R1709-F1711 HydrophobicContact CG-CZ 3.8Å |
| 1710 | V | 85.7 | Confident | 82.8 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 44% | 0.436 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129 | 172.9 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | R1705 | R1705-V1710 HydrophobicContact CB-CG2 4.13Å; R1705-V1710 HydrophobicContact CG-CG2 4.16Å |
| 1711 | F | 88.8 | Confident | 83 | Confident | 19 Ų | 19 | 66.3 Ų | 66.3 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.3 | 177.5 | -62 | -86.8 | 0 | 0 | 0 | 109.3 | S1703 C1704 V1706 R1709 F1716 L1733 I1737 | S1703-F1711 CarbonylContact C-O 3.6Å; S1703-F1711 WeakPolarHBondContact CA-O 3.4Å; S1703-F1711 WeakPolarHBondContact CB-O 2.95Å; C1704-F1711 PolarHBondContact N-O 3.18Å; C1704-F1711 PolarHBondContact O-N 2.81Å; V1706-F1711 HydrophobicContact CB-CE2 4.25Å; R1709-F1711 HydrophobicContact CB-CE2 4.03Å; R1709-F1711 HydrophobicContact CB-CZ 4.25Å; R1709-F1711 HydrophobicContact CG-CD2 4.42Å; R1709-F1711 HydrophobicContact CG-CE1 4.18Å; R1709-F1711 HydrophobicContact CG-CE2 3.91Å; R1709-F1711 HydrophobicContact CG-CZ 3.8Å; F1711-F1716 HydrophobicContact CB-CE2 4.22Å; F1711-F1716 HydrophobicContact CD1-CE2 4.25Å; F1711-F1716 AromaticContact CD1-CZ 3.84Å; F1711-F1716 HydrophobicContact CD1-CZ 3.84Å; F1711-L1733 HydrophobicContact CB-CD1 4.1Å; F1711-I1737 HydrophobicContact CB-CD1 3.81Å; F1711-I1737 HydrophobicContact CB-CG1 3.85Å; F1711-I1737 HydrophobicContact CD1-CG1 4.09Å; F1711-I1737 HydrophobicContact CD2-CD1 3.78Å; F1711-I1737 HydrophobicContact CD2-CG1 3.83Å; F1711-I1737 HydrophobicContact CD2-CG2 4.37Å; F1711-I1737 HydrophobicContact CE2-CG1 4.36Å; F1711-I1737 HydrophobicContact CE2-CG2 4.12Å; F1711-I1737 HydrophobicContact CG-CD1 3.9Å; F1711-I1737 HydrophobicContact CG-CG1 3.67Å; F1711-I1737 HydrophobicContact CZ-CG2 4.34Å |
| 1712 | V | 89.3 | Confident | 82.8 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.6 | 178.2 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | N1701 E1714 D1715 F1716 | N1701-V1712 HydrophobicContact CB-CG1 3.7Å; V1712-E1714 VanDerWaalsContact C-N 3.32Å; V1712-E1714 PolarHBondContact O-N 3.49Å; V1712-D1715 WeakPolarHBondContact CB-OD2 3.4Å; V1712-D1715 WeakPolarHBondContact O-CB 3.46Å; V1712-D1715 PolarHBondContact O-N 3.02Å; V1712-F1716 WeakPolarHBondContact O-CD2 3.09Å |
| 1713 | L | 88.5 | Confident | 82.6 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -36.7 | -173.8 | -177.9 | 60.5 | 0 | 0 | 0 | 113.6 | P1702 D1715 F1716 E1717 P1729 R1732 L1733 | P1702-L1713 HydrophobicContact CB-CB 4.43Å; P1702-L1713 HydrophobicContact CG-CB 4.46Å; P1702-L1713 HydrophobicContact CG-CD2 3.99Å; P1702-L1713 PolarHBondContact O-N 3.36Å; P1702-L1713 VanDerWaalsContact O-N 3.07Å; L1713-D1715 PolarHBondContact O-N 2.75Å; L1713-F1716 PolarHBondContact O-N 3.48Å; L1713-E1717 VanDerWaalsContact CD1-CD 3.49Å; L1713-E1717 HydrophobicContact CD1-CG 4.05Å; L1713-E1717 HydrophobicContact CG-CG 4.48Å; L1713-E1717 WeakPolarHBondContact CG-OE2 3.07Å; L1713-E1717 PolarHBondContact O-N 2.74Å; L1713-P1729 HydrophobicContact CD2-CB 3.69Å; L1713-R1732 HydrophobicContact CD1-CB 4.08Å; L1713-L1733 HydrophobicContact CB-CB 4.38Å; L1713-L1733 HydrophobicContact CB-CD1 4.39Å; L1713-L1733 HydrophobicContact CD1-CB 4.05Å |
| 1714 | E | 85.4 | Confident | 82.1 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -28.1 | 179.6 | -172.9 | 172.4 | -164.7 | 0 | 0 | 112.6 | N1701 V1712 F1716 E1717 R1718 | N1701-E1714 WeakPolarHBondContact ND2-CB 3.47Å; N1701-E1714 PolarHBondContact ND2-OE2 2.77Å; V1712-E1714 VanDerWaalsContact C-N 3.32Å; V1712-E1714 PolarHBondContact O-N 3.49Å; E1714-F1716 PolarHBondContact O-N 3.25Å; E1714-E1717 PolarHBondContact O-N 2.95Å; E1714-R1718 WeakPolarHBondContact O-CB 3.34Å; E1714-R1718 PolarHBondContact O-N 3.35Å; E1714-R1718 VanDerWaalsContact O-N 3.12Å |
| 1715 | D | 85.5 | Confident | 81.9 | Confident | 119 Ų | 119 | 65.1 Ų | 65.1 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.3 | -28.8 | -179.6 | -61.6 | -28.4 | 0 | 0 | 0 | 112.5 | V1712 L1713 | V1712-D1715 WeakPolarHBondContact CB-OD2 3.4Å; V1712-D1715 WeakPolarHBondContact O-CB 3.46Å; V1712-D1715 PolarHBondContact O-N 3.02Å; L1713-D1715 PolarHBondContact O-N 2.75Å |
| 1716 | F | 86.3 | Confident | 81.9 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -90.1 | -33.8 | 179 | -62.1 | -85.1 | 0 | 0 | 0 | 112.9 | F1711 V1712 L1713 E1714 L1733 H1736 K1740 | F1711-F1716 HydrophobicContact CB-CE2 4.22Å; F1711-F1716 HydrophobicContact CD1-CE2 4.25Å; F1711-F1716 AromaticContact CD1-CZ 3.84Å; F1711-F1716 HydrophobicContact CD1-CZ 3.84Å; V1712-F1716 WeakPolarHBondContact O-CD2 3.09Å; L1713-F1716 PolarHBondContact O-N 3.48Å; E1714-F1716 PolarHBondContact O-N 3.25Å; F1716-L1733 HydrophobicContact CD2-CD1 4.27Å; F1716-L1733 HydrophobicContact CE2-CD1 4Å; F1716-H1736 HydrophobicContact CB-CB 4.12Å; F1716-H1736 HydrophobicContact CD1-CB 3.7Å; F1716-H1736 HydrophobicContact CD2-CB 3.81Å; F1716-H1736 HydrophobicContact CE1-CB 3.94Å; F1716-H1736 HydrophobicContact CE2-CB 4.05Å; F1716-H1736 HydrophobicContact CG-CB 3.62Å; F1716-H1736 AromaticContact CG-CG 3.74Å; F1716-H1736 HydrophobicContact CZ-CB 4.1Å; F1716-K1740 HydrophobicContact CE1-CG 4.04Å |
| 1717 | E | 86.3 | Confident | 82.2 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -101.5 | 4.4 | -169.5 | -57.4 | -173.8 | 151.8 | 0 | 0 | 113.7 | L1713 E1714 G1719 M1720 R1732 H1736 | L1713-E1717 VanDerWaalsContact CD1-CD 3.49Å; L1713-E1717 HydrophobicContact CD1-CG 4.05Å; L1713-E1717 HydrophobicContact CG-CG 4.48Å; L1713-E1717 WeakPolarHBondContact CG-OE2 3.07Å; L1713-E1717 PolarHBondContact O-N 2.74Å; E1714-E1717 PolarHBondContact O-N 2.95Å; E1717-G1719 PolarHBondContact O-N 2.86Å; E1717-M1720 HydrophobicContact CB-CG 4.48Å; E1717-M1720 HydrophobicContact CB-SD 3.82Å; E1717-M1720 HydrophobicContact CG-SD 3.82Å; E1717-M1720 PolarHBondContact O-N 3.05Å; E1717-M1720 VanDerWaalsContact O-N 3.16Å; E1717-R1732 IonicContact OE1-CZ 3.99Å; E1717-R1732 IonicContact OE1-NH1 3.82Å; E1717-R1732 PolarHBondContact OE1-NH1 3.22Å; E1717-R1732 IonicContact OE2-CZ 3.71Å; E1717-R1732 IonicContact OE2-NH1 3.2Å; E1717-R1732 PolarHBondContact OE2-NH1 3.34Å; E1717-H1736 WeakPolarHBondContact CG-NE2 3.31Å; E1717-H1736 IonicContact OE1-CD2 2.96Å; E1717-H1736 IonicContact OE1-NE2 2.71Å; E1717-H1736 PolarHBondContact OE1-NE2 2.87Å |
| 1718 | R | 81.9 | Confident | 82.9 | Confident | 217 Ų | 217 | 63.6 Ų | 63.6 | 82% | 0.819 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 107 | -179 | -172.4 | 174.7 | -176 | 179.1 | 0.7 | 111.6 | E1714 | E1714-R1718 WeakPolarHBondContact O-CB 3.34Å; E1714-R1718 PolarHBondContact O-N 3.35Å; E1714-R1718 VanDerWaalsContact O-N 3.12Å |
| 1719 | G | 76.8 | Confident | 83.5 | Confident | 62 Ų | 62 | 57 Ų | 57 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108 | -21.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1439 E1717 | K1439-G1719 PolarHBondContact NZ-O 2.98Å; K1439-G1719 VanDerWaalsContact NZ-O 3.13Å; E1717-G1719 PolarHBondContact O-N 2.86Å |
| 1720 | M | 78.8 | Confident | 84.1 | Confident | 63 Ų | 63 | 58 Ų | 58 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | trans | -48 | 148.4 | -177.1 | -70 | -176.9 | 78.8 | 0 | 0 | 113.6 | K1439 E1717 | K1439-M1720 PolarHBondContact NZ-O 3.26Å; E1717-M1720 HydrophobicContact CB-CG 4.48Å; E1717-M1720 HydrophobicContact CB-SD 3.82Å; E1717-M1720 HydrophobicContact CG-SD 3.82Å; E1717-M1720 PolarHBondContact O-N 3.05Å; E1717-M1720 VanDerWaalsContact O-N 3.16Å | ||
| 1721 | V | 71.9 | Confident | 84.5 | Confident | 68 Ų | 68 | 55 Ų | 55 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | trans | -68.2 | 138.3 | 170.8 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | F1473 N1723 | F1473-V1721 WeakPolarHBondContact O-CG1 2.92Å; V1721-N1723 PolarHBondContact O-N 2.81Å | ||
| 1722 | P | 70.5 | Confident | 84.7 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | trans | -62.7 | 99.7 | 177 | -22.2 | 34.2 | 0 | 0 | 0 | 111.7 | K1439 F1441 | K1439-P1722 HydrophobicContact CD-CG 4.45Å; F1441-P1722 HydrophobicContact CD1-CB 4.35Å; F1441-P1722 HydrophobicContact CE1-CB 4.42Å; F1441-P1722 HydrophobicContact CG-CB 4.44Å | ||
| 1723 | N | 78.3 | Confident | 84.9 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | trans | -88.3 | 118.8 | 177.2 | 174.3 | -5 | 0 | 0 | 0 | 109.9 | Y1475 V1721 H1725 L1726 | Y1475-N1723 HydrophobicContact CE1-CB 4.23Å; V1721-N1723 PolarHBondContact O-N 2.81Å; N1723-H1725 VanDerWaalsContact C-N 3.27Å; N1723-H1725 PolarHBondContact O-N 2.77Å; N1723-H1725 WeakPolarHBondContact OD1-CB 3.33Å; N1723-H1725 PolarHBondContact OD1-CD2 3.31Å; N1723-H1725 PolarHBondContact OD1-N 3.37Å; N1723-L1726 HydrophobicContact CB-CD1 3.98Å; N1723-L1726 HydrophobicContact CB-CG 3.86Å; N1723-L1726 WeakPolarHBondContact O-CG 3.35Å | ||
| 1724 | P | 78.1 | Confident | 85.2 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 20% | 0.195 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -12.4 | -175.9 | 30.3 | -35.5 | 0 | 0 | 0 | 114.2 | L1444 I1447 | L1444-P1724 HydrophobicContact CD2-CB 3.89Å; L1444-P1724 HydrophobicContact CG-CB 4.12Å; I1447-P1724 HydrophobicContact CD1-CB 4.2Å; I1447-P1724 HydrophobicContact CD1-CG 3.47Å; I1447-P1724 VanDerWaalsContact CD1-CG 3.47Å; I1447-P1724 HydrophobicContact CG1-CG 3.82Å |
| 1725 | H | 86.7 | Confident | 85.7 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.8 | -179.9 | -59.4 | -67.1 | 0 | 0 | 0 | 114 | Y1475 C1661 V1662 S1663 N1723 | Y1475-H1725 AromaticContact CZ-CD2 3.87Å; Y1475-H1725 PolarHBondContact OH-CD2 2.92Å; Y1475-H1725 PolarHBondContact OH-NE2 3.04Å; C1661-H1725 CarbonylContact C-O 3.59Å; C1661-H1725 WeakPolarHBondContact CA-O 3.24Å; C1661-H1725 HydrophobicContact CB-CB 3.96Å; C1661-H1725 WeakPolarHBondContact CB-O 3.01Å; V1662-H1725 PolarHBondContact N-O 2.81Å; S1663-H1725 WeakPolarHBondContact O-CB 3.44Å; S1663-H1725 PolarHBondContact OG-ND1 3.21Å; N1723-H1725 VanDerWaalsContact C-N 3.27Å; N1723-H1725 PolarHBondContact O-N 2.77Å; N1723-H1725 WeakPolarHBondContact OD1-CB 3.33Å; N1723-H1725 PolarHBondContact OD1-CD2 3.31Å; N1723-H1725 PolarHBondContact OD1-N 3.37Å |
| 1726 | L | 87.9 | Confident | 86.1 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -59.2 | 132.4 | -175.5 | -73.2 | 175.9 | 0 | 0 | 0 | 112.9 | N1723 | N1723-L1726 HydrophobicContact CB-CD1 3.98Å; N1723-L1726 HydrophobicContact CB-CG 3.86Å; N1723-L1726 WeakPolarHBondContact O-CG 3.35Å |
| 1727 | G | 89.7 | Confident | 86.3 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 8% | 0.082 | 22% | 0.224 | C | C | . | . | trans | -79.2 | -174.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1660 R1732 | Y1660-G1727 PolarHBondContact O-N 3.32Å; G1727-R1732 WeakPolarHBondContact O-CD 3.5Å; G1727-R1732 PolarHBondContact O-NE 2.96Å | ||
| 1728 | P | 90.6 | Very high | 86.7 | Confident | 68 Ų | 68 | 39.7 Ų | 39.7 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | trans | -49.1 | 139.3 | 174.8 | 15.6 | -32.4 | 0 | 0 | 0 | 113.7 | Y1660 K1730 E1731 R1732 | Y1660-P1728 HydrophobicContact CE1-CG 4.14Å; P1728-K1730 VanDerWaalsContact C-N 3.27Å; P1728-K1730 PolarHBondContact O-N 3.19Å; P1728-K1730 VanDerWaalsContact O-N 3.15Å; P1728-E1731 HydrophobicContact CG-CB 4.49Å; P1728-E1731 HydrophobicContact CG-CG 4.06Å; P1728-E1731 PolarHBondContact O-N 2.85Å; P1728-R1732 PolarHBondContact O-N 3.36Å | ||
| 1729 | P | 88.3 | Confident | 87.1 | Confident | 57 Ų | 57 | 30.9 Ų | 30.9 | 37% | 0.37 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.1 | -32.4 | -174.7 | -23.6 | 30.4 | 0 | 0 | 0 | 115.6 | P1702 L1713 L1733 | P1702-P1729 HydrophobicContact CG-CB 3.52Å; L1713-P1729 HydrophobicContact CD2-CB 3.69Å; P1729-L1733 PolarHBondContact O-N 3.08Å |
| 1730 | K | 90.7 | Very high | 87.6 | Confident | 88 Ų | 88 | 33.3 Ų | 33.3 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 178.2 | 175.7 | 176.6 | 164.6 | -93.3 | 0 | 112 | S1675 Y1692 P1728 L1733 A1734 | S1675-K1730 PolarHBondContact OG-NZ 3.04Å; Y1692-K1730 HydrophobicContact CD1-CD 4.42Å; Y1692-K1730 HydrophobicContact CD1-CG 3.86Å; Y1692-K1730 HydrophobicContact CE1-CG 3.8Å; Y1692-K1730 HydrophobicContact CG-CG 4.43Å; P1728-K1730 VanDerWaalsContact C-N 3.27Å; P1728-K1730 PolarHBondContact O-N 3.19Å; P1728-K1730 VanDerWaalsContact O-N 3.15Å; K1730-L1733 PolarHBondContact O-N 3.16Å; K1730-A1734 PolarHBondContact O-N 2.83Å |
| 1731 | E | 94.7 | Very high | 87.9 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -75 | -33.1 | -177 | -54.6 | -45.7 | 130.2 | 0 | 0 | 111.5 | Y1660 P1674 S1675 P1728 A1734 L1735 | Y1660-E1731 HydrophobicContact CD1-CB 3.58Å; Y1660-E1731 HydrophobicContact CE1-CB 3.48Å; Y1660-E1731 VanDerWaalsContact CE1-CB 3.48Å; Y1660-E1731 HydrophobicContact CE1-CG 4.08Å; Y1660-E1731 HydrophobicContact CE2-CB 4.42Å; Y1660-E1731 HydrophobicContact CG-CB 4.11Å; P1674-E1731 HydrophobicContact CB-CB 4.39Å; P1674-E1731 WeakPolarHBondContact CB-O 3.41Å; P1674-E1731 HydrophobicContact CG-CB 4.09Å; S1675-E1731 WeakPolarHBondContact CB-OE2 3.49Å; S1675-E1731 PolarHBondContact N-OE2 2.86Å; S1675-E1731 PolarHBondContact OG-OE1 2.93Å; S1675-E1731 PolarHBondContact OG-OE2 3.33Å; P1728-E1731 HydrophobicContact CG-CB 4.49Å; P1728-E1731 HydrophobicContact CG-CG 4.06Å; P1728-E1731 PolarHBondContact O-N 2.85Å; E1731-A1734 PolarHBondContact O-N 2.9Å; E1731-L1735 PolarHBondContact O-N 2.78Å |
| 1732 | R | 93.3 | Very high | 88.5 | Confident | 33 Ų | 33 | 32 Ų | 32 | 13% | 0.125 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 169.6 | -71.5 | -173.7 | -67.9 | 121.3 | -2.9 | 111.8 | Y1660 L1713 E1717 G1727 P1728 A1734 L1735 H1736 | Y1660-R1732 HydrophobicContact CD1-CG 4.22Å; L1713-R1732 HydrophobicContact CD1-CB 4.08Å; E1717-R1732 IonicContact OE1-CZ 3.99Å; E1717-R1732 IonicContact OE1-NH1 3.82Å; E1717-R1732 PolarHBondContact OE1-NH1 3.22Å; E1717-R1732 IonicContact OE2-CZ 3.71Å; E1717-R1732 IonicContact OE2-NH1 3.2Å; E1717-R1732 PolarHBondContact OE2-NH1 3.34Å; G1727-R1732 WeakPolarHBondContact O-CD 3.5Å; G1727-R1732 PolarHBondContact O-NE 2.96Å; P1728-R1732 PolarHBondContact O-N 3.36Å; R1732-A1734 VanDerWaalsContact C-N 3.34Å; R1732-A1734 PolarHBondContact O-N 2.9Å; R1732-L1735 PolarHBondContact O-N 2.85Å; R1732-H1736 PolarHBondContact O-CD2 2.89Å; R1732-H1736 PolarHBondContact O-N 3.39Å |
| 1733 | L | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -43 | 176.4 | 178.5 | 56.6 | 0 | 0 | 0 | 112 | P1702 C1704 F1711 L1713 F1716 P1729 K1730 L1735 H1736 I1737 | P1702-L1733 HydrophobicContact CB-CD2 4.23Å; C1704-L1733 HydrophobicContact CB-CD2 3.71Å; C1704-L1733 HydrophobicContact CB-CG 4.18Å; F1711-L1733 HydrophobicContact CB-CD1 4.1Å; L1713-L1733 HydrophobicContact CB-CB 4.38Å; L1713-L1733 HydrophobicContact CB-CD1 4.39Å; L1713-L1733 HydrophobicContact CD1-CB 4.05Å; F1716-L1733 HydrophobicContact CD2-CD1 4.27Å; F1716-L1733 HydrophobicContact CE2-CD1 4Å; P1729-L1733 PolarHBondContact O-N 3.08Å; K1730-L1733 PolarHBondContact O-N 3.16Å; L1733-L1735 PolarHBondContact O-N 3.38Å; L1733-H1736 PolarHBondContact O-N 3.06Å; L1733-I1737 HydrophobicContact CD1-CD1 4.19Å; L1733-I1737 HydrophobicContact CD1-CG1 4.38Å; L1733-I1737 HydrophobicContact CG-CD1 4.14Å; L1733-I1737 VanDerWaalsContact O-CG1 3.29Å; L1733-I1737 WeakPolarHBondContact O-CG1 3.42Å; L1733-I1737 PolarHBondContact O-N 3.4Å; L1733-I1737 VanDerWaalsContact O-N 3.1Å |
| 1734 | A | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1674 L1678 Y1692 K1730 E1731 R1732 I1737 L1738 | P1674-A1734 HydrophobicContact CB-CB 3.86Å; L1678-A1734 HydrophobicContact CD2-CB 4.2Å; Y1692-A1734 WeakPolarHBondContact OH-CB 3.37Å; K1730-A1734 PolarHBondContact O-N 2.83Å; E1731-A1734 PolarHBondContact O-N 2.9Å; R1732-A1734 VanDerWaalsContact C-N 3.34Å; R1732-A1734 PolarHBondContact O-N 2.9Å; A1734-I1737 PolarHBondContact O-N 3.05Å; A1734-L1738 WeakPolarHBondContact O-CG 3.45Å; A1734-L1738 PolarHBondContact O-N 2.92Å |
| 1735 | L | 95.3 | Very high | 91 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | 176.3 | -175.8 | 61.1 | 0 | 0 | 0 | 112.5 | L1656 P1657 W1668 P1674 E1731 R1732 L1733 I1737 L1738 N1739 | L1656-L1735 HydrophobicContact CB-CD1 4.18Å; L1656-L1735 HydrophobicContact CD2-CD1 3.93Å; L1656-L1735 HydrophobicContact CG-CD1 4.49Å; P1657-L1735 HydrophobicContact CG-CD2 4.14Å; P1657-L1735 WeakPolarHBondContact O-CD2 3.32Å; W1668-L1735 HydrophobicContact CH2-CD1 4.05Å; W1668-L1735 HydrophobicContact CZ3-CD1 3.76Å; W1668-L1735 HydrophobicContact CZ3-CD2 3.93Å; W1668-L1735 HydrophobicContact CZ3-CG 4.44Å; P1674-L1735 HydrophobicContact CB-CB 3.99Å; P1674-L1735 HydrophobicContact CG-CB 4.19Å; E1731-L1735 PolarHBondContact O-N 2.78Å; R1732-L1735 PolarHBondContact O-N 2.85Å; L1733-L1735 PolarHBondContact O-N 3.38Å; L1735-I1737 VanDerWaalsContact C-N 3.25Å; L1735-I1737 PolarHBondContact O-N 3.17Å; L1735-L1738 PolarHBondContact O-N 3.32Å; L1735-L1738 VanDerWaalsContact O-N 3.14Å; L1735-N1739 PolarHBondContact O-N 2.98Å; L1735-N1739 PolarHBondContact O-ND2 2.81Å |
| 1736 | H | 93.6 | Very high | 91.4 | Very high | 20 Ų | 20 | 33.3 Ų | 33.3 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -36.2 | 174.5 | -77.6 | -50.4 | 0 | 0 | 0 | 112.7 | F1716 E1717 R1732 L1733 | F1716-H1736 HydrophobicContact CB-CB 4.12Å; F1716-H1736 HydrophobicContact CD1-CB 3.7Å; F1716-H1736 HydrophobicContact CD2-CB 3.81Å; F1716-H1736 HydrophobicContact CE1-CB 3.94Å; F1716-H1736 HydrophobicContact CE2-CB 4.05Å; F1716-H1736 HydrophobicContact CG-CB 3.62Å; F1716-H1736 AromaticContact CG-CG 3.74Å; F1716-H1736 HydrophobicContact CZ-CB 4.1Å; E1717-H1736 WeakPolarHBondContact CG-NE2 3.31Å; E1717-H1736 IonicContact OE1-CD2 2.96Å; E1717-H1736 IonicContact OE1-NE2 2.71Å; E1717-H1736 PolarHBondContact OE1-NE2 2.87Å; R1732-H1736 PolarHBondContact O-CD2 2.89Å; R1732-H1736 PolarHBondContact O-N 3.39Å; L1733-H1736 PolarHBondContact O-N 3.06Å |
| 1737 | I | 91.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.2 | -46.6 | 173.2 | -63.9 | 164.3 | 0 | 0 | 0 | 110.5 | L1678 C1704 V1706 F1711 L1733 A1734 L1735 N1739 K1740 | L1678-I1737 HydrophobicContact CD1-CB 4.47Å; L1678-I1737 HydrophobicContact CD1-CG2 3.76Å; L1678-I1737 HydrophobicContact CD2-CB 4.25Å; L1678-I1737 HydrophobicContact CD2-CD1 3.99Å; L1678-I1737 HydrophobicContact CD2-CG2 4.13Å; C1704-I1737 HydrophobicContact CB-CD1 3.89Å; V1706-I1737 HydrophobicContact CG2-CG2 4.46Å; F1711-I1737 HydrophobicContact CB-CD1 3.81Å; F1711-I1737 HydrophobicContact CB-CG1 3.85Å; F1711-I1737 HydrophobicContact CD1-CG1 4.09Å; F1711-I1737 HydrophobicContact CD2-CD1 3.78Å; F1711-I1737 HydrophobicContact CD2-CG1 3.83Å; F1711-I1737 HydrophobicContact CD2-CG2 4.37Å; F1711-I1737 HydrophobicContact CE2-CG1 4.36Å; F1711-I1737 HydrophobicContact CE2-CG2 4.12Å; F1711-I1737 HydrophobicContact CG-CD1 3.9Å; F1711-I1737 HydrophobicContact CG-CG1 3.67Å; F1711-I1737 HydrophobicContact CZ-CG2 4.34Å; L1733-I1737 HydrophobicContact CD1-CD1 4.19Å; L1733-I1737 HydrophobicContact CD1-CG1 4.38Å; L1733-I1737 HydrophobicContact CG-CD1 4.14Å; L1733-I1737 VanDerWaalsContact O-CG1 3.29Å; L1733-I1737 WeakPolarHBondContact O-CG1 3.42Å; L1733-I1737 PolarHBondContact O-N 3.4Å; L1733-I1737 VanDerWaalsContact O-N 3.1Å; A1734-I1737 PolarHBondContact O-N 3.05Å; L1735-I1737 VanDerWaalsContact C-N 3.25Å; L1735-I1737 PolarHBondContact O-N 3.17Å; I1737-N1739 VanDerWaalsContact C-N 3.33Å; I1737-N1739 PolarHBondContact O-N 3.48Å; I1737-K1740 PolarHBondContact O-N 3.49Å; I1737-K1740 VanDerWaalsContact O-N 3.09Å |
| 1738 | L | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | 178.1 | -71 | 168.6 | 0 | 0 | 0 | 112.6 | L1656 P1674 I1677 L1678 V1681 A1734 L1735 K1740 L1741 L1743 | L1656-L1738 HydrophobicContact CD1-CB 3.81Å; P1674-L1738 HydrophobicContact CB-CD1 4.48Å; P1674-L1738 WeakPolarHBondContact O-CD1 3.45Å; I1677-L1738 HydrophobicContact CB-CD1 3.88Å; I1677-L1738 HydrophobicContact CG2-CD1 3.69Å; I1677-L1738 HydrophobicContact CG2-CD2 3.94Å; L1678-L1738 HydrophobicContact CB-CD1 4.46Å; L1678-L1738 HydrophobicContact CB-CD2 4.2Å; L1678-L1738 HydrophobicContact CB-CG 4.27Å; L1678-L1738 HydrophobicContact CD1-CD2 3.92Å; L1678-L1738 HydrophobicContact CD1-CG 4.25Å; V1681-L1738 HydrophobicContact CG2-CD2 4.08Å; A1734-L1738 WeakPolarHBondContact O-CG 3.45Å; A1734-L1738 PolarHBondContact O-N 2.92Å; L1735-L1738 PolarHBondContact O-N 3.32Å; L1735-L1738 VanDerWaalsContact O-N 3.14Å; L1738-K1740 PolarHBondContact O-N 3.33Å; L1738-L1741 HydrophobicContact CD2-CD1 4.3Å; L1738-L1741 WeakPolarHBondContact O-CB 3.42Å; L1738-L1741 PolarHBondContact O-N 2.94Å; L1738-L1743 HydrophobicContact CB-CD1 4.36Å; L1738-L1743 HydrophobicContact CD2-CD1 3.79Å |
| 1739 | N | 91.9 | Very high | 92.4 | Very high | 32 Ų | 32 | 28 Ų | 28 | 17% | 0.171 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -8.4 | 176.7 | -84.2 | -41.6 | 0 | 0 | 0 | 114.7 | P1657 Q1658 L1735 I1737 | P1657-N1739 PolarHBondContact O-ND2 3.32Å; Q1658-N1739 PolarHBondContact O-ND2 3.49Å; L1735-N1739 PolarHBondContact O-N 2.98Å; L1735-N1739 PolarHBondContact O-ND2 2.81Å; I1737-N1739 VanDerWaalsContact C-N 3.33Å; I1737-N1739 PolarHBondContact O-N 3.48Å |
| 1740 | K | 86.4 | Confident | 92.8 | Very high | 114 Ų | 114 | 25.8 Ų | 25.8 | 50% | 0.496 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -9.4 | 169.4 | -64.5 | -61.6 | -177.3 | -177.2 | 0 | 113.1 | L1408 F1716 I1737 L1738 | L1408-K1740 HydrophobicContact CD2-CB 4.11Å; L1408-K1740 WeakPolarHBondContact CD2-O 3.45Å; F1716-K1740 HydrophobicContact CE1-CG 4.04Å; I1737-K1740 PolarHBondContact O-N 3.49Å; I1737-K1740 VanDerWaalsContact O-N 3.09Å; L1738-K1740 PolarHBondContact O-N 3.33Å |
| 1741 | L | 85.7 | Confident | 93.1 | Very high | 25 Ų | 25 | 22.2 Ų | 22.2 | 13% | 0.131 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -86.4 | 159.3 | 172.9 | -57.1 | -180 | 0 | 0 | 0 | 109.8 | M1403 V1681 L1738 L1743 | M1403-L1741 HydrophobicContact CE-CD2 4.28Å; M1403-L1741 HydrophobicContact SD-CD2 4.37Å; V1681-L1741 HydrophobicContact CG1-CD1 3.8Å; L1738-L1741 HydrophobicContact CD2-CD1 4.3Å; L1738-L1741 WeakPolarHBondContact O-CB 3.42Å; L1738-L1741 PolarHBondContact O-N 2.94Å; L1741-L1743 HydrophobicContact CB-CD1 4.11Å; L1741-L1743 HydrophobicContact CB-CG 3.92Å; L1741-L1743 HydrophobicContact CD1-CD1 4.3Å; L1741-L1743 PolarHBondContact O-N 2.85Å |
| 1742 | P | 84.6 | Confident | 93 | Very high | 77 Ų | 77 | 24.3 Ų | 24.3 | 50% | 0.5 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -75.5 | 53.1 | 177.4 | 33.2 | -37.2 | 0 | 0 | 0 | 111.7 | Y1650 | Y1650-P1742 WeakPolarHBondContact CD1-O 3.46Š|
| 1743 | L | 91.1 | Very high | 93 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -96.9 | 152.7 | 179 | -61.1 | 177.1 | 0 | 0 | 0 | 110.5 | K1649 Y1650 R1651 L1656 V1681 L1738 L1741 K1745 | K1649-L1743 WeakPolarHBondContact O-CD2 3.32Å; Y1650-L1743 CarbonylContact O-C 3.28Å; Y1650-L1743 WeakPolarHBondContact O-CA 3.41Å; R1651-L1743 HydrophobicContact CB-CD2 4.06Å; L1656-L1743 HydrophobicContact CD1-CB 3.84Å; L1656-L1743 HydrophobicContact CD1-CD1 3.87Å; V1681-L1743 HydrophobicContact CG2-CD1 4.42Å; L1738-L1743 HydrophobicContact CB-CD1 4.36Å; L1738-L1743 HydrophobicContact CD2-CD1 3.79Å; L1741-L1743 HydrophobicContact CB-CD1 4.11Å; L1741-L1743 HydrophobicContact CB-CG 3.92Å; L1741-L1743 HydrophobicContact CD1-CD1 4.3Å; L1741-L1743 PolarHBondContact O-N 2.85Å; L1743-K1745 PolarHBondContact O-N 2.97Å; L1743-K1745 VanDerWaalsContact O-N 3.15Å |
| 1744 | V | 93.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -61 | 117 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 109.7 | L1485 F1491 F1494 Y1650 A1652 G1655 L1656 H1747 | L1485-V1744 HydrophobicContact CD1-CG1 4.41Å; L1485-V1744 HydrophobicContact CD2-CG1 4.11Å; L1485-V1744 HydrophobicContact CD2-CG2 4.49Å; F1491-V1744 HydrophobicContact CD2-CG2 4.29Å; F1491-V1744 HydrophobicContact CE1-CG2 4.3Å; F1491-V1744 HydrophobicContact CE2-CG2 3.74Å; F1491-V1744 HydrophobicContact CZ-CB 4.49Å; F1491-V1744 HydrophobicContact CZ-CG2 3.75Å; F1494-V1744 HydrophobicContact CE1-CG2 4.1Å; F1494-V1744 HydrophobicContact CZ-CG2 4.06Å; Y1650-V1744 PolarHBondContact O-N 2.9Å; A1652-V1744 HydrophobicContact CB-CG2 3.87Å; G1655-V1744 WeakPolarHBondContact CA-O 3.21Å; L1656-V1744 PolarHBondContact N-O 3.14Å; V1744-H1747 WeakPolarHBondContact CG1-ND1 3.25Å |
| 1745 | K | 94 | Very high | 91.9 | Very high | 96 Ų | 96 | 27.6 Ų | 27.6 | 42% | 0.417 | 13% | 0.134 | S | C | . | . | B | Isolated β-bridge | trans | -76.1 | 165.5 | 174 | -62.1 | 174.1 | -173.2 | 170.3 | 0 | 110.1 | G1655 L1743 H1747 | G1655-K1745 WeakPolarHBondContact CA-O 3.38Å; L1743-K1745 PolarHBondContact O-N 2.97Å; L1743-K1745 VanDerWaalsContact O-N 3.15Å; K1745-H1747 PolarHBondContact O-N 3.11Å; K1745-H1747 PolarHBondContact O-ND1 2.97Å |
| 1746 | E | 95.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -60.8 | 126.7 | 169.7 | -171.5 | -179.6 | -157.1 | 0 | 0 | 109.9 | K1456 I1478 C1479 L1656 P1657 R1669 F1784 | K1456-E1746 WeakPolarHBondContact CE-OE2 3.31Å; K1456-E1746 IonicContact NZ-OE1 3.48Å; K1456-E1746 PolarHBondContact NZ-OE1 2.88Å; K1456-E1746 IonicContact NZ-OE2 3.59Å; K1456-E1746 PolarHBondContact NZ-OE2 3.23Å; I1478-E1746 HydrophobicContact CB-CG 4.46Å; I1478-E1746 HydrophobicContact CG2-CB 4.41Å; I1478-E1746 HydrophobicContact CG2-CG 3.72Å; C1479-E1746 PolarHBondContact N-O 2.92Å; L1656-E1746 WeakPolarHBondContact O-CB 3.49Å; L1656-E1746 PolarHBondContact O-N 2.93Å; P1657-E1746 WeakPolarHBondContact CB-OE2 3.49Å; R1669-E1746 IonicContact NH1-OE1 2.68Å; R1669-E1746 PolarHBondContact NH1-OE1 2.82Å; R1669-E1746 VanDerWaalsContact NH1-OE1 3.12Å; E1746-F1784 WeakPolarHBondContact OE1-CE2 3.29Å; E1746-F1784 WeakPolarHBondContact OE1-CZ 3.06Å |
| 1747 | H | 95.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 169.1 | -164.3 | 66 | -91.5 | 0 | 0 | 0 | 113.9 | C1479 Y1481 V1744 K1745 | C1479-H1747 HydrophobicContact CB-CB 4.2Å; C1479-H1747 CarbonylContact O-C 3.16Å; C1479-H1747 WeakPolarHBondContact O-CA 3.22Å; C1479-H1747 WeakPolarHBondContact O-CB 3.35Å; Y1481-H1747 HydrophobicContact CD2-CB 3.95Å; Y1481-H1747 HydrophobicContact CE2-CB 3.62Å; V1744-H1747 WeakPolarHBondContact CG1-ND1 3.25Å; K1745-H1747 PolarHBondContact O-N 3.11Å; K1745-H1747 PolarHBondContact O-ND1 2.97Å |
| 1748 | V | 97.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.5 | 158.6 | 172.7 | 0 | 0 | 0 | 0 | 106.7 | W1453 F1457 I1478 C1479 V1480 Y1481 I1561 Q1767 W1769 | W1453-V1748 HydrophobicContact CZ2-CG2 4.47Å; F1457-V1748 HydrophobicContact CD2-CG2 4.27Å; F1457-V1748 HydrophobicContact CE2-CG1 4.44Å; F1457-V1748 HydrophobicContact CE2-CG2 4.22Å; I1478-V1748 HydrophobicContact CD1-CG2 3.63Å; I1478-V1748 HydrophobicContact CG1-CG2 4.44Å; C1479-V1748 PolarHBondContact O-N 3.1Å; V1480-V1748 HydrophobicContact CG1-CB 4.32Å; V1480-V1748 HydrophobicContact CG1-CG1 4.46Å; V1480-V1748 HydrophobicContact CG2-CB 4.33Å; Y1481-V1748 PolarHBondContact N-O 3.42Å; I1561-V1748 HydrophobicContact CD1-CB 4.08Å; I1561-V1748 HydrophobicContact CD1-CG1 3.35Å; I1561-V1748 HydrophobicContact CD1-CG2 3.52Å; V1748-Q1767 HydrophobicContact CG1-CB 4.1Å; V1748-W1769 HydrophobicContact CG2-CE3 4.06Å; V1748-W1769 HydrophobicContact CG2-CZ3 4.33Å |
| 1749 | E | 96.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154.4 | 171.7 | 59.2 | 175.9 | 144.9 | 0 | 0 | 110.7 | L1485 R1645 R1751 Q1767 M1768 | L1485-E1749 HydrophobicContact CB-CB 4.27Å; L1485-E1749 PolarHBondContact N-OE2 3.14Å; R1645-E1749 IonicContact CZ-OE1 3.66Å; R1645-E1749 VanDerWaalsContact CZ-OE1 3.25Å; R1645-E1749 IonicContact CZ-OE2 2.72Å; R1645-E1749 IonicContact NH1-OE1 3.57Å; R1645-E1749 PolarHBondContact NH1-OE1 2.85Å; R1645-E1749 IonicContact NH1-OE2 2.74Å; R1645-E1749 IonicContact NH2-OE1 2.68Å; R1645-E1749 PolarHBondContact NH2-OE1 3.47Å; R1645-E1749 IonicContact NH2-OE2 3.15Å; R1645-E1749 PolarHBondContact NH2-OE2 3.12Å; E1749-R1751 HydrophobicContact CG-CG 4.46Å; E1749-R1751 IonicContact OE2-NH1 2.89Å; E1749-R1751 PolarHBondContact OE2-NH1 2.94Å; E1749-Q1767 WeakPolarHBondContact O-CA 3.48Å; E1749-M1768 HydrophobicContact CG-CG 4.34Å; E1749-M1768 VanDerWaalsContact CG-O 3.26Å; E1749-M1768 WeakPolarHBondContact CG-O 3.5Å; E1749-M1768 PolarHBondContact N-O 3.36Å; E1749-M1768 PolarHBondContact O-N 2.63Å |
| 1750 | T | 96.8 | Very high | 85.8 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 111.6 | 176.6 | -53.3 | 0 | 0 | 0 | 0 | 108.5 | Y1481 H1483 K1765 L1766 Q1767 | Y1481-T1750 WeakPolarHBondContact O-CB 3.42Å; Y1481-T1750 PolarHBondContact O-N 3.47Å; Y1481-T1750 VanDerWaalsContact O-N 3.16Å; Y1481-T1750 PolarHBondContact O-OG1 2.95Å; H1483-T1750 CarbonylContact C-O 3.51Å; H1483-T1750 WeakPolarHBondContact CA-O 3.2Å; H1483-T1750 PolarHBondContact O-N 2.78Å; T1750-K1765 HydrophobicContact CG2-CB 4.04Å; T1750-K1765 HydrophobicContact CG2-CD 4.39Å; T1750-L1766 WeakPolarHBondContact CA-O 3.42Å; T1750-Q1767 HydrophobicContact CG2-CG 4.17Å; T1750-Q1767 PolarHBondContact OG1-NE2 2.78Å; T1750-Q1767 VanDerWaalsContact OG1-NE2 3.16Å |
| 1751 | R | 95.5 | Very high | 84.8 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 145.6 | -179.2 | -57.2 | -168.1 | 74 | 83.9 | -2.2 | 111.1 | E1486 T1638 D1639 E1749 K1765 L1766 | E1486-R1751 IonicContact OE1-CZ 3.43Å; E1486-R1751 VanDerWaalsContact OE1-CZ 3.23Å; E1486-R1751 IonicContact OE1-NH1 3.9Å; E1486-R1751 PolarHBondContact OE1-NH1 3.44Å; E1486-R1751 IonicContact OE1-NH2 3.1Å; E1486-R1751 PolarHBondContact OE1-NH2 2.68Å; E1486-R1751 IonicContact OE2-NH1 3.98Å; E1486-R1751 PolarHBondContact OE2-NH1 2.83Å; T1638-R1751 HydrophobicContact CG2-CB 3.92Å; T1638-R1751 HydrophobicContact CG2-CG 4.49Å; T1638-R1751 PolarHBondContact OG1-NE 2.93Å; T1638-R1751 VanDerWaalsContact OG1-NE 3.09Å; D1639-R1751 PolarHBondContact O-NH2 3.21Å; E1749-R1751 HydrophobicContact CG-CG 4.46Å; E1749-R1751 IonicContact OE2-NH1 2.89Å; E1749-R1751 PolarHBondContact OE2-NH1 2.94Å; R1751-K1765 CarbonylContact O-C 3.53Å; R1751-K1765 WeakPolarHBondContact O-CA 3.35Å; R1751-L1766 PolarHBondContact N-O 3.48Å; R1751-L1766 PolarHBondContact O-N 3.18Å |
| 1752 | L | 93.4 | Very high | 84.6 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 29% | 0.293 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 143 | 171.2 | -54.3 | -176.8 | 0 | 0 | 0 | 109.8 | T1638 Y1754 E1762 K1765 | T1638-L1752 WeakPolarHBondContact CB-O 3.49Å; T1638-L1752 PolarHBondContact OG1-O 3.47Å; L1752-Y1754 HydrophobicContact CB-CE2 3.8Å; L1752-Y1754 WeakPolarHBondContact CD1-OH 3.37Å; L1752-E1762 HydrophobicContact CD2-CG 4.44Å; L1752-K1765 HydrophobicContact CD2-CD 4.04Å; L1752-K1765 HydrophobicContact CD2-CG 3.84Å |
| 1753 | L | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.5 | 176 | -61 | 172.3 | 0 | 0 | 0 | 110.3 | L1566 V1623 T1638 E1762 Q1763 G1764 L1766 | L1566-L1753 HydrophobicContact CD2-CD1 3.62Å; V1623-L1753 HydrophobicContact CB-CD1 4.26Å; V1623-L1753 HydrophobicContact CG2-CD1 3.72Å; V1623-L1753 HydrophobicContact CG2-CD2 4.32Å; T1638-L1753 HydrophobicContact CG2-CD2 4.05Å; L1753-E1762 WeakPolarHBondContact O-CA 3.31Å; L1753-Q1763 PolarHBondContact O-N 2.84Å; L1753-G1764 WeakPolarHBondContact CB-O 3.31Å; L1753-G1764 PolarHBondContact N-O 2.97Å; L1753-L1766 HydrophobicContact CD1-CB 4.4Å; L1753-L1766 HydrophobicContact CD2-CB 4.19Å; L1753-L1766 HydrophobicContact CD2-CD2 4.4Å; L1753-L1766 HydrophobicContact CG-CB 4.36Å |
| 1754 | Y | 85.6 | Confident | 84.5 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 35% | 0.353 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.3 | 177.7 | -64.4 | -83.5 | 0 | 0 | 0 | 110.9 | G1636 Q1637 L1752 P1759 I1761 | G1636-Y1754 CarbonylContact C-O 3.59Å; G1636-Y1754 WeakPolarHBondContact CA-O 3.2Å; Q1637-Y1754 PolarHBondContact N-O 3.17Å; Q1637-Y1754 PolarHBondContact O-N 3.1Å; L1752-Y1754 HydrophobicContact CB-CE2 3.8Å; L1752-Y1754 WeakPolarHBondContact CD1-OH 3.37Å; Y1754-P1759 VanDerWaalsContact CD1-O 3.3Å; Y1754-P1759 WeakPolarHBondContact CD1-O 3.2Å; Y1754-I1761 VanDerWaalsContact CD1-O 3.24Å; Y1754-I1761 WeakPolarHBondContact CD1-O 3.22Å |
| 1755 | S | 78.7 | Confident | 84.5 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 138.4 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | L1757 Q1758 P1759 | S1755-L1757 PolarHBondContact O-N 3.44Å; S1755-L1757 VanDerWaalsContact O-N 3.12Å; S1755-L1757 PolarHBondContact OG-N 2.86Å; S1755-Q1758 CarbonylContact O-C 3.05Å; S1755-Q1758 PolarHBondContact O-N 2.82Å; S1755-P1759 WeakPolarHBondContact O-CA 3.37Å; S1755-P1759 VanDerWaalsContact O-N 3.16Å |
| 1756 | P | 70.2 | Confident | 84.6 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.2 | 171.4 | -25.1 | 34.8 | 0 | 0 | 0 | 113.8 | ||
| 1757 | L | 70.9 | Confident | 84.8 | Confident | 160 Ų | 160 | 44.5 Ų | 44.5 | 84% | 0.838 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -18.6 | 176.6 | -60.2 | 176.4 | 0 | 0 | 0 | 112.7 | S1755 | S1755-L1757 PolarHBondContact O-N 3.44Å; S1755-L1757 VanDerWaalsContact O-N 3.12Å; S1755-L1757 PolarHBondContact OG-N 2.86Å |
| 1758 | Q | 68.4 | Low | 84.9 | Confident | 58 Ų | 58 | 44 Ų | 44 | 27% | 0.271 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 61.6 | -177 | -57.7 | -169.1 | 6.8 | 0 | 0 | 111.1 | S1755 N1760 I1761 | S1755-Q1758 CarbonylContact O-C 3.05Å; S1755-Q1758 PolarHBondContact O-N 2.82Å; Q1758-N1760 PolarHBondContact O-N 3.48Å; Q1758-I1761 HydrophobicContact CB-CB 4.04Å; Q1758-I1761 HydrophobicContact CB-CD1 4.15Å; Q1758-I1761 HydrophobicContact CB-CG1 4.23Å; Q1758-I1761 PolarHBondContact O-N 3.26Å |
| 1759 | P | 65.6 | Low | 84.8 | Confident | 82 Ų | 82 | 44.3 Ų | 44.3 | 53% | 0.532 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -16.2 | -167.4 | 25.6 | -36.3 | 0 | 0 | 0 | 115 | Y1754 S1755 | Y1754-P1759 VanDerWaalsContact CD1-O 3.3Å; Y1754-P1759 WeakPolarHBondContact CD1-O 3.2Å; S1755-P1759 WeakPolarHBondContact O-CA 3.37Å; S1755-P1759 VanDerWaalsContact O-N 3.16Å |
| 1760 | N | 64.1 | Low | 84.8 | Confident | 157 Ų | 157 | 44.5 Ų | 44.5 | 84% | 0.84 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 11.4 | 178.1 | -63.7 | -29.7 | 0 | 0 | 0 | 113 | Q1758 | Q1758-N1760 PolarHBondContact O-N 3.48Å |
| 1761 | I | 65.3 | Low | 84.8 | Confident | 41 Ų | 41 | 44.1 Ų | 44.1 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.1 | -170.5 | -56.4 | -170.7 | 0 | 0 | 0 | 110.4 | F251 Y1754 Q1758 | F251-I1761 HydrophobicContact CD2-CG2 4.18Å; F251-I1761 HydrophobicContact CE1-CG2 4.17Å; F251-I1761 HydrophobicContact CE2-CG2 3.29Å; F251-I1761 HydrophobicContact CZ-CD1 4.22Å; F251-I1761 HydrophobicContact CZ-CG2 3.29Å; Y1754-I1761 VanDerWaalsContact CD1-O 3.24Å; Y1754-I1761 WeakPolarHBondContact CD1-O 3.22Å; Q1758-I1761 HydrophobicContact CB-CB 4.04Å; Q1758-I1761 HydrophobicContact CB-CD1 4.15Å; Q1758-I1761 HydrophobicContact CB-CG1 4.23Å; Q1758-I1761 PolarHBondContact O-N 3.26Å |
| 1762 | E | 81.1 | Confident | 84.9 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 131.6 | 175.4 | -174.8 | -173.8 | 159.3 | 0 | 0 | 110.6 | L1752 L1753 K1765 | L1752-E1762 HydrophobicContact CD2-CG 4.44Å; L1753-E1762 WeakPolarHBondContact O-CA 3.31Å; E1762-K1765 WeakPolarHBondContact OE1-CE 3.43Å; E1762-K1765 WeakPolarHBondContact OE1-CG 3.32Å; E1762-K1765 IonicContact OE1-NZ 3.14Å |
| 1763 | Q | 83.9 | Confident | 85 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 19 | -177.4 | -41.4 | -70.5 | -128.9 | 0 | 0 | 112.3 | Q1567 I1635 L1753 | Q1567-Q1763 HydrophobicContact CB-CB 4.23Å; Q1567-Q1763 PolarHBondContact N-O 3.43Å; I1635-Q1763 WeakPolarHBondContact O-CB 3.14Å; I1635-Q1763 VanDerWaalsContact O-CG 3.31Å; I1635-Q1763 WeakPolarHBondContact O-CG 3.19Å; L1753-Q1763 PolarHBondContact O-N 2.84Å |
| 1764 | G | 88.6 | Confident | 85 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.6 | -177.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1565 L1753 | D1565-G1764 VanDerWaalsContact O-CA 3.23Å; D1565-G1764 WeakPolarHBondContact O-CA 3.47Å; L1753-G1764 WeakPolarHBondContact CB-O 3.31Å; L1753-G1764 PolarHBondContact N-O 2.97Å |
| 1765 | K | 94.1 | Very high | 85.3 | Confident | 73 Ų | 73 | 39.6 Ų | 39.6 | 32% | 0.317 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.8 | -174.8 | -53.3 | -177.5 | -175 | 170.7 | 0 | 111.3 | A1563 I1564 T1750 R1751 L1752 E1762 | A1563-K1765 CarbonylContact C-O 3.58Å; A1563-K1765 WeakPolarHBondContact CA-O 3.48Å; A1563-K1765 WeakPolarHBondContact CB-O 3.31Å; I1564-K1765 HydrophobicContact CB-CB 4.47Å; I1564-K1765 PolarHBondContact N-O 3.39Å; I1564-K1765 PolarHBondContact O-N 3.13Å; T1750-K1765 HydrophobicContact CG2-CB 4.04Å; T1750-K1765 HydrophobicContact CG2-CD 4.39Å; R1751-K1765 CarbonylContact O-C 3.53Å; R1751-K1765 WeakPolarHBondContact O-CA 3.35Å; L1752-K1765 HydrophobicContact CD2-CD 4.04Å; L1752-K1765 HydrophobicContact CD2-CG 3.84Å; E1762-K1765 WeakPolarHBondContact OE1-CE 3.43Å; E1762-K1765 WeakPolarHBondContact OE1-CG 3.32Å; E1762-K1765 IonicContact OE1-NZ 3.14Å |
| 1766 | L | 97.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122 | -179.6 | -167.2 | 65.5 | 0 | 0 | 0 | 110.9 | I1560 A1563 F1603 V1621 V1623 T1750 R1751 L1753 M1768 | I1560-L1766 HydrophobicContact CD1-CD2 4.26Å; I1560-L1766 HydrophobicContact CG2-CD1 3.76Å; I1560-L1766 HydrophobicContact CG2-CD2 4.5Å; I1560-L1766 HydrophobicContact CG2-CG 4.31Å; A1563-L1766 HydrophobicContact CB-CD1 3.9Å; F1603-L1766 HydrophobicContact CE2-CD1 4.13Å; V1621-L1766 HydrophobicContact CB-CD2 4.43Å; V1621-L1766 HydrophobicContact CG1-CD2 3.46Å; V1621-L1766 VanDerWaalsContact CG1-CD2 3.46Å; V1623-L1766 HydrophobicContact CG2-CD1 4.17Å; V1623-L1766 HydrophobicContact CG2-CD2 4.39Å; T1750-L1766 WeakPolarHBondContact CA-O 3.42Å; R1751-L1766 PolarHBondContact N-O 3.48Å; R1751-L1766 PolarHBondContact O-N 3.18Å; L1753-L1766 HydrophobicContact CD1-CB 4.4Å; L1753-L1766 HydrophobicContact CD2-CB 4.19Å; L1753-L1766 HydrophobicContact CD2-CD2 4.4Å; L1753-L1766 HydrophobicContact CG-CB 4.36Å; L1766-M1768 HydrophobicContact CD2-SD 4Å |
| 1767 | Q | 97.9 | Very high | 86.6 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.5 | 173.1 | -61.3 | -157.7 | -62.9 | 0 | 0 | 110.1 | I1561 R1562 I1564 V1748 E1749 T1750 | I1561-Q1767 HydrophobicContact CB-CB 4.45Å; I1561-Q1767 WeakPolarHBondContact CB-O 3.45Å; I1561-Q1767 HydrophobicContact CD1-CB 4.28Å; I1561-Q1767 PolarHBondContact N-O 2.91Å; R1562-Q1767 HydrophobicContact CG-CB 4.27Å; R1562-Q1767 VanDerWaalsContact NH2-OE1 3.13Å; R1562-Q1767 PolarHBondContact O-N 2.71Å; I1564-Q1767 HydrophobicContact CD1-CG 3.92Å; V1748-Q1767 HydrophobicContact CG1-CB 4.1Å; E1749-Q1767 WeakPolarHBondContact O-CA 3.48Å; T1750-Q1767 HydrophobicContact CG2-CG 4.17Å; T1750-Q1767 PolarHBondContact OG1-NE2 2.78Å; T1750-Q1767 VanDerWaalsContact OG1-NE2 3.16Å |
| 1768 | M | 97.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 176.4 | -172 | 59.5 | 171.4 | -71.6 | 0 | 0 | 112.3 | V1558 Y1559 I1560 V1621 I1640 E1749 L1766 V1770 | V1558-M1768 HydrophobicContact CG1-CE 3.71Å; Y1559-M1768 CarbonylContact O-C 3.49Å; Y1559-M1768 WeakPolarHBondContact O-CA 3.17Å; Y1559-M1768 WeakPolarHBondContact O-CB 3.48Å; I1560-M1768 HydrophobicContact CD1-CB 3.78Å; I1560-M1768 HydrophobicContact CD1-CE 4.15Å; I1560-M1768 HydrophobicContact CD1-SD 4.01Å; V1621-M1768 HydrophobicContact CG1-SD 4.43Å; V1621-M1768 HydrophobicContact CG2-CE 4.13Å; V1621-M1768 HydrophobicContact CG2-SD 4.28Å; I1640-M1768 HydrophobicContact CD1-CE 3.54Å; I1640-M1768 HydrophobicContact CD1-SD 4.25Å; E1749-M1768 HydrophobicContact CG-CG 4.34Å; E1749-M1768 VanDerWaalsContact CG-O 3.26Å; E1749-M1768 WeakPolarHBondContact CG-O 3.5Å; E1749-M1768 PolarHBondContact N-O 3.36Å; E1749-M1768 PolarHBondContact O-N 2.63Å; L1766-M1768 HydrophobicContact CD2-SD 4Å; M1768-V1770 HydrophobicContact CE-CG2 3.62Å |
| 1769 | W | 96.7 | Very high | 88 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 169.7 | 156.4 | 73.9 | 97.1 | 0 | 0 | 0 | 110.4 | W1453 Y1559 I1561 V1748 F1784 I1786 | W1453-W1769 AromaticContact CE2-CH2 3.72Å; W1453-W1769 HydrophobicContact CH2-CH2 4.21Å; W1453-W1769 AromaticContact CH2-CZ3 3.88Å; W1453-W1769 HydrophobicContact CH2-CZ3 3.88Å; W1453-W1769 AromaticContact CZ2-CH2 3.44Å; W1453-W1769 HydrophobicContact CZ2-CH2 3.44Å; W1453-W1769 VanDerWaalsContact CZ2-CH2 3.44Å; W1453-W1769 AromaticContact CZ2-CZ3 3.39Å; W1453-W1769 HydrophobicContact CZ2-CZ3 3.39Å; W1453-W1769 AromaticContact NE1-CH2 3.89Å; Y1559-W1769 AromaticContact CD1-CH2 3.75Å; Y1559-W1769 HydrophobicContact CD1-CH2 3.75Å; Y1559-W1769 AromaticContact CD1-CZ2 3.38Å; Y1559-W1769 HydrophobicContact CD1-CZ2 3.38Å; Y1559-W1769 AromaticContact CD2-CD1 3.9Å; Y1559-W1769 HydrophobicContact CD2-CD2 4.08Å; Y1559-W1769 AromaticContact CD2-CE2 3.34Å; Y1559-W1769 HydrophobicContact CD2-CG 4.4Å; Y1559-W1769 HydrophobicContact CD2-CH2 4.48Å; Y1559-W1769 AromaticContact CD2-CZ2 3.59Å; Y1559-W1769 HydrophobicContact CD2-CZ2 3.59Å; Y1559-W1769 AromaticContact CD2-NE1 3.19Å; Y1559-W1769 HydrophobicContact CE1-CH2 4.49Å; Y1559-W1769 AromaticContact CE1-CZ2 3.83Å; Y1559-W1769 HydrophobicContact CE1-CZ2 3.83Å; Y1559-W1769 AromaticContact CE2-CE2 3.9Å; Y1559-W1769 HydrophobicContact CE2-CZ2 4Å; Y1559-W1769 AromaticContact CE2-NE1 3.49Å; Y1559-W1769 HydrophobicContact CG-CD2 4.04Å; Y1559-W1769 AromaticContact CG-CE2 3.39Å; Y1559-W1769 HydrophobicContact CG-CE3 4.42Å; Y1559-W1769 AromaticContact CG-CH2 3.72Å; Y1559-W1769 HydrophobicContact CG-CH2 3.72Å; Y1559-W1769 AromaticContact CG-CZ2 3.22Å; Y1559-W1769 HydrophobicContact CG-CZ2 3.22Å; Y1559-W1769 HydrophobicContact CG-CZ3 4.28Å; Y1559-W1769 AromaticContact CG-NE1 3.8Å; Y1559-W1769 PolarHBondContact N-O 2.76Å; Y1559-W1769 PolarHBondContact O-N 2.68Å; I1561-W1769 HydrophobicContact CD1-CE3 3.99Å; I1561-W1769 HydrophobicContact CD1-CZ3 3.78Å; I1561-W1769 HydrophobicContact CG1-CE3 4.22Å; I1561-W1769 HydrophobicContact CG1-CZ3 3.73Å; V1748-W1769 HydrophobicContact CG2-CE3 4.06Å; V1748-W1769 HydrophobicContact CG2-CZ3 4.33Å; W1769-F1784 HydrophobicContact CZ2-CD2 4.04Å; W1769-I1786 HydrophobicContact CH2-CD1 4.46Å; W1769-I1786 HydrophobicContact CH2-CG2 3.95Å |
| 1770 | V | 96.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.4 | 178.5 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | L1556 R1557 V1558 L1619 I1640 L1642 M1768 I1772 | L1556-V1770 HydrophobicContact CD1-CG1 4.12Å; L1556-V1770 HydrophobicContact CD2-CG1 4.07Å; L1556-V1770 HydrophobicContact CG-CG1 3.93Å; R1557-V1770 WeakPolarHBondContact O-CA 3.46Å; V1558-V1770 HydrophobicContact CG1-CG2 4.36Å; L1619-V1770 HydrophobicContact CD2-CG1 4.29Å; L1619-V1770 HydrophobicContact CD2-CG2 3.75Å; I1640-V1770 HydrophobicContact CD1-CG2 3.9Å; L1642-V1770 HydrophobicContact CD2-CG1 4.16Å; M1768-V1770 HydrophobicContact CE-CG2 3.62Å; V1770-I1772 HydrophobicContact CG1-CG1 4.07Å |
| 1771 | D | 96.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137 | 164 | -67.2 | -43.1 | 0 | 0 | 0 | 109.8 | R1557 Y1559 T1653 C1654 R1669 F1773 | R1557-D1771 HydrophobicContact CB-CB 4.38Å; R1557-D1771 PolarHBondContact N-O 2.94Å; R1557-D1771 PolarHBondContact O-N 2.84Å; Y1559-D1771 HydrophobicContact CE2-CB 4.44Å; Y1559-D1771 WeakPolarHBondContact CE2-OD2 3.36Å; T1653-D1771 CarbonylContact O-C 3.42Å; T1653-D1771 VanDerWaalsContact O-CA 3.26Å; T1653-D1771 WeakPolarHBondContact O-CA 3.39Å; C1654-D1771 PolarHBondContact SG-OD1 3.42Å; R1669-D1771 IonicContact CZ-OD1 3.58Å; R1669-D1771 IonicContact CZ-OD2 3.29Å; R1669-D1771 IonicContact NE-OD2 2.82Å; R1669-D1771 PolarHBondContact NE-OD2 3.1Å; R1669-D1771 IonicContact NH2-OD1 2.97Å; R1669-D1771 PolarHBondContact NH2-OD1 3.29Å; R1669-D1771 IonicContact NH2-OD2 2.76Å; R1669-D1771 PolarHBondContact NH2-OD2 2.9Å; R1669-D1771 VanDerWaalsContact NH2-OD2 3.1Å; D1771-F1773 HydrophobicContact CB-CD2 4.35Å; D1771-F1773 HydrophobicContact CB-CE1 4.43Å; D1771-F1773 HydrophobicContact CB-CE2 3.4Å; D1771-F1773 VanDerWaalsContact CB-CE2 3.4Å; D1771-F1773 HydrophobicContact CB-CZ 3.47Å; D1771-F1773 VanDerWaalsContact CB-CZ 3.47Å |
| 1772 | I | 96.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.3 | -177.8 | -50.5 | 175.5 | 0 | 0 | 0 | 109.4 | C1554 L1556 L1613 L1642 R1645 T1653 V1770 | C1554-I1772 HydrophobicContact CB-CG2 4.04Å; L1556-I1772 HydrophobicContact CD1-CG1 4.28Å; L1613-I1772 HydrophobicContact CD1-CG2 4.21Å; L1642-I1772 HydrophobicContact CB-CD1 4.34Å; L1642-I1772 HydrophobicContact CD2-CD1 4.06Å; R1645-I1772 HydrophobicContact CB-CD1 3.93Å; T1653-I1772 WeakPolarHBondContact CB-O 3.43Å; T1653-I1772 HydrophobicContact CG2-CB 4.41Å; T1653-I1772 PolarHBondContact O-N 3.49Å; V1770-I1772 HydrophobicContact CG1-CG1 4.07Å |
| 1773 | F | 95.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 109.9 | -176.2 | -53.4 | -77.2 | 0 | 0 | 0 | 111.7 | C1554 M1555 R1557 C1654 D1771 T1775 P1780 | C1554-F1773 CarbonylContact C-O 3.57Å; C1554-F1773 WeakPolarHBondContact CA-O 3.41Å; M1555-F1773 HydrophobicContact CB-CB 4.41Å; M1555-F1773 PolarHBondContact N-O 3.43Å; M1555-F1773 PolarHBondContact O-N 3.05Å; R1557-F1773 HydrophobicContact CG-CE2 4.24Å; C1654-F1773 HydrophobicContact CB-CE1 3.93Å; C1654-F1773 HydrophobicContact CB-CZ 4.41Å; D1771-F1773 HydrophobicContact CB-CD2 4.35Å; D1771-F1773 HydrophobicContact CB-CE1 4.43Å; D1771-F1773 HydrophobicContact CB-CE2 3.4Å; D1771-F1773 VanDerWaalsContact CB-CE2 3.4Å; D1771-F1773 HydrophobicContact CB-CZ 3.47Å; D1771-F1773 VanDerWaalsContact CB-CZ 3.47Å; F1773-T1775 PolarHBondContact O-N 3.08Å; F1773-P1780 HydrophobicContact CB-CB 4.13Å; F1773-P1780 HydrophobicContact CB-CG 4.33Å; F1773-P1780 HydrophobicContact CD1-CB 3.74Å; F1773-P1780 HydrophobicContact CD2-CB 3.68Å; F1773-P1780 HydrophobicContact CD2-CG 3.94Å; F1773-P1780 HydrophobicContact CE1-CB 3.98Å; F1773-P1780 HydrophobicContact CE2-CB 3.91Å; F1773-P1780 HydrophobicContact CE2-CG 4.4Å; F1773-P1780 HydrophobicContact CG-CB 3.57Å; F1773-P1780 HydrophobicContact CG-CG 4.09Å; F1773-P1780 HydrophobicContact CZ-CB 4.04Å |
| 1774 | P | 93.5 | Very high | 92 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 123.9 | 170.3 | -29.3 | 38.1 | 0 | 0 | 0 | 112.3 | E1552 S1776 L1777 | E1552-P1774 HydrophobicContact CG-CB 4.23Å; E1552-P1774 WeakPolarHBondContact OE1-CB 3.16Å; E1552-P1774 WeakPolarHBondContact OE2-CG 3.44Å; P1774-S1776 WeakPolarHBondContact CB-OG 3.25Å; P1774-S1776 PolarHBondContact O-N 2.65Å; P1774-L1777 HydrophobicContact CB-CD1 4Å; P1774-L1777 HydrophobicContact CB-CG 4.08Å; P1774-L1777 HydrophobicContact CG-CD1 4.06Å; P1774-L1777 WeakPolarHBondContact O-CB 3.48Å; P1774-L1777 PolarHBondContact O-N 2.79Å |
| 1775 | T | 91.7 | Very high | 92 | Very high | 50 Ų | 50 | 40 Ų | 40 | 31% | 0.307 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -64.7 | -23.4 | -179.1 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | E1553 M1555 F1773 L1777 G1778 | E1553-T1775 HydrophobicContact CG-CG2 4.13Å; E1553-T1775 WeakPolarHBondContact O-CB 3.4Å; E1553-T1775 WeakPolarHBondContact O-CG2 3.48Å; E1553-T1775 PolarHBondContact O-N 2.8Å; E1553-T1775 PolarHBondContact O-OG1 3.17Å; E1553-T1775 PolarHBondContact OE2-OG1 2.96Å; M1555-T1775 HydrophobicContact CB-CG2 4.31Å; F1773-T1775 PolarHBondContact O-N 3.08Å; T1775-L1777 PolarHBondContact O-N 3.22Å; T1775-G1778 PolarHBondContact O-N 3.38Å |
| 1776 | S | 88.6 | Confident | 91.8 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 59% | 0.594 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -58.9 | -21.4 | 171.9 | 56.9 | 0 | 0 | 0 | 0 | 114 | E1552 P1774 | E1552-S1776 PolarHBondContact OE1-OG 2.71Å; P1774-S1776 WeakPolarHBondContact CB-OG 3.25Å; P1774-S1776 PolarHBondContact O-N 2.65Å |
| 1777 | L | 87.3 | Confident | 91.4 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 40% | 0.398 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -95.4 | 3.7 | -178.4 | -60.7 | 177.2 | 0 | 0 | 0 | 113.7 | K1672 P1774 T1775 | K1672-L1777 HydrophobicContact CD-CD1 4.49Å; P1774-L1777 HydrophobicContact CB-CD1 4Å; P1774-L1777 HydrophobicContact CB-CG 4.08Å; P1774-L1777 HydrophobicContact CG-CD1 4.06Å; P1774-L1777 WeakPolarHBondContact O-CB 3.48Å; P1774-L1777 PolarHBondContact O-N 2.79Å; T1775-L1777 PolarHBondContact O-N 3.22Å |
| 1778 | G | 84.4 | Confident | 90.7 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | trans | 89.8 | 178.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1775 | T1775-G1778 PolarHBondContact O-N 3.38Š| ||
| 1779 | E | 85.5 | Confident | 90.1 | Very high | 184 Ų | 184 | 43 Ų | 43 | 86% | 0.86 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 134.5 | -176.8 | -63.4 | -171 | 162 | 0 | 0 | 111.3 | ||
| 1780 | P | 88.2 | Confident | 89.2 | Confident | 24 Ų | 24 | 51 Ų | 51 | 16% | 0.156 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 156.9 | 173.7 | 28.3 | -34.4 | 0 | 0 | 0 | 111.4 | S1671 F1773 | S1671-P1780 VanDerWaalsContact OG-CA 3.31Å; S1671-P1780 WeakPolarHBondContact OG-CA 3.37Å; F1773-P1780 HydrophobicContact CB-CB 4.13Å; F1773-P1780 HydrophobicContact CB-CG 4.33Å; F1773-P1780 HydrophobicContact CD1-CB 3.74Å; F1773-P1780 HydrophobicContact CD2-CB 3.68Å; F1773-P1780 HydrophobicContact CD2-CG 3.94Å; F1773-P1780 HydrophobicContact CE1-CB 3.98Å; F1773-P1780 HydrophobicContact CE2-CB 3.91Å; F1773-P1780 HydrophobicContact CE2-CG 4.4Å; F1773-P1780 HydrophobicContact CG-CB 3.57Å; F1773-P1780 HydrophobicContact CG-CG 4.09Å; F1773-P1780 HydrophobicContact CZ-CB 4.04Å |
| 1781 | G | 86.5 | Confident | 88.5 | Confident | 19 Ų | 19 | 52 Ų | 52 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 173.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1557 R1669 | R1557-G1781 VanDerWaalsContact CZ-O 3.28Å; R1557-G1781 PolarHBondContact NH1-O 2.92Å; R1557-G1781 PolarHBondContact NH2-O 3.03Å; R1669-G1781 WeakPolarHBondContact O-CA 3.49Å; R1669-G1781 PolarHBondContact O-N 2.63Å |
| 1782 | P | 89.4 | Confident | 87.9 | Confident | 59 Ų | 59 | 56.2 Ų | 56.2 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 139.2 | -179 | 24.1 | -32.6 | 0 | 0 | 0 | 110.9 | Q1667 | Q1667-P1782 VanDerWaalsContact CD-CG 3.48Å; Q1667-P1782 HydrophobicContact CG-CG 4.1Å |
| 1783 | P | 90.7 | Very high | 87.4 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -67 | 156.8 | 171.5 | 31.2 | -33.8 | 0 | 0 | 0 | 109.6 | Y1559 M1606 | Y1559-P1783 WeakPolarHBondContact OH-CA 3.49Å; M1606-P1783 HydrophobicContact CE-CB 3.87Å; M1606-P1783 HydrophobicContact CE-CG 4.01Å; M1606-P1783 HydrophobicContact CG-CB 4.46Å; M1606-P1783 HydrophobicContact SD-CB 4.48Å |
| 1784 | F | 89.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 136 | 165.7 | -70.5 | -35.3 | 0 | 0 | 0 | 110.4 | W1453 Y1559 P1665 R1669 E1746 W1769 I1786 | W1453-F1784 AromaticContact CD1-CD2 3.43Å; W1453-F1784 VanDerWaalsContact CD1-CD2 3.43Å; W1453-F1784 AromaticContact CD1-CE2 3.83Å; W1453-F1784 AromaticContact CD1-CG 3.75Å; W1453-F1784 AromaticContact NE1-CD2 3.52Å; W1453-F1784 AromaticContact NE1-CE2 3.83Å; Y1559-F1784 HydrophobicContact CE1-CB 4.14Å; Y1559-F1784 PolarHBondContact OH-N 2.99Å; P1665-F1784 WeakPolarHBondContact O-CE1 3.42Å; R1669-F1784 HydrophobicContact CG-CD1 4.42Å; R1669-F1784 HydrophobicContact CG-CE1 4.12Å; R1669-F1784 HydrophobicContact CG-CZ 4.24Å; E1746-F1784 WeakPolarHBondContact OE1-CE2 3.29Å; E1746-F1784 WeakPolarHBondContact OE1-CZ 3.06Å; W1769-F1784 HydrophobicContact CZ2-CD2 4.04Å; F1784-I1786 HydrophobicContact CB-CG2 4Å; F1784-I1786 PolarHBondContact O-N 2.87Å |
| 1785 | D | 87.1 | Confident | 87 | Confident | 118 Ų | 118 | 61.6 Ų | 61.6 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | trans | -76.8 | 112.3 | 160.5 | -170.5 | 2.3 | 0 | 0 | 0 | 108.4 | W1453 S1787 | W1453-D1785 WeakPolarHBondContact CB-O 3.2Å; D1785-S1787 WeakPolarHBondContact OD1-CB 3.4Å; D1785-S1787 PolarHBondContact OD1-N 2.79Å; D1785-S1787 PolarHBondContact OD1-OG 3.18Å | ||
| 1786 | I | 91.4 | Very high | 87 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | trans | -114.5 | 15.7 | 175.7 | 64.3 | 162.2 | 0 | 0 | 0 | 112.1 | W1453 W1454 Y1559 G1604 W1769 F1784 | W1453-I1786 HydrophobicContact CB-CG2 4.31Å; W1453-I1786 HydrophobicContact CD2-CB 4.34Å; W1453-I1786 HydrophobicContact CD2-CG2 3.41Å; W1453-I1786 VanDerWaalsContact CD2-CG2 3.41Å; W1453-I1786 HydrophobicContact CE3-CB 3.99Å; W1453-I1786 HydrophobicContact CE3-CG2 3.56Å; W1453-I1786 HydrophobicContact CG-CG2 3.74Å; W1453-I1786 HydrophobicContact CZ2-CG2 4.38Å; W1453-I1786 HydrophobicContact CZ3-CB 4.36Å; W1453-I1786 HydrophobicContact CZ3-CG2 4.12Å; W1454-I1786 PolarHBondContact NE1-O 2.95Å; W1454-I1786 VanDerWaalsContact NE1-O 3.13Å; Y1559-I1786 HydrophobicContact CD1-CD1 3.89Å; Y1559-I1786 HydrophobicContact CD1-CG1 4.23Å; Y1559-I1786 HydrophobicContact CD1-CG2 4.42Å; Y1559-I1786 HydrophobicContact CG-CD1 4.42Å; G1604-I1786 CarbonylContact C-O 3.56Å; G1604-I1786 WeakPolarHBondContact CA-O 3.49Å; G1604-I1786 CarbonylContact O-C 3.59Å; W1769-I1786 HydrophobicContact CH2-CD1 4.46Å; W1769-I1786 HydrophobicContact CH2-CG2 3.95Å; F1784-I1786 HydrophobicContact CB-CG2 4Å; F1784-I1786 PolarHBondContact O-N 2.87Å | ||
| 1787 | S | 87.8 | Confident | 87.3 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 47% | 0.469 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 136.9 | 175.5 | -54.1 | 0 | 0 | 0 | 0 | 109.7 | W1454 D1785 | W1454-S1787 PolarHBondContact NE1-O 3.09Å; D1785-S1787 WeakPolarHBondContact OD1-CB 3.4Å; D1785-S1787 PolarHBondContact OD1-N 2.79Å; D1785-S1787 PolarHBondContact OD1-OG 3.18Å |
| 1788 | P | 84 | Confident | 87.6 | Confident | 48 Ų | 48 | 52 Ų | 52 | 31% | 0.312 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 145 | 176.3 | -24.3 | 35.9 | 0 | 0 | 0 | 111.1 | E1790 | P1788-E1790 PolarHBondContact O-N 2.81Š|
| 1789 | R | 83.4 | Confident | 88.1 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 130.5 | -177.5 | -66.3 | 170.2 | 165.8 | 169.9 | -6 | 110.8 | D1452 S1455 K1466 L1860 | D1452-R1789 IonicContact OD1-CZ 3.63Å; D1452-R1789 IonicContact OD1-NE 3.74Å; D1452-R1789 IonicContact OD1-NH2 3.76Å; D1452-R1789 PolarHBondContact OD1-NH2 3.14Å; D1452-R1789 WeakPolarHBondContact OD2-CG 3.34Å; D1452-R1789 IonicContact OD2-CZ 3.76Å; D1452-R1789 IonicContact OD2-NE 3.06Å; D1452-R1789 PolarHBondContact OD2-NE 2.87Å; D1452-R1789 IonicContact OD2-NH2 3.82Å; S1455-R1789 VanDerWaalsContact N-NH2 3.2Å; S1455-R1789 PolarHBondContact OG-NH2 2.68Å; S1455-R1789 VanDerWaalsContact OG-NH2 3.09Å; K1466-R1789 PolarHBondContact O-NH1 2.91Å; K1466-R1789 PolarHBondContact O-NH2 3.21Å; R1789-L1860 HydrophobicContact CB-CD1 3.76Å; R1789-L1860 HydrophobicContact CB-CD2 4.04Å; R1789-L1860 HydrophobicContact CB-CG 4.31Å; R1789-L1860 WeakPolarHBondContact O-CD1 3.19Å |
| 1790 | E | 79.2 | Confident | 88.5 | Confident | 174 Ų | 174 | 41.6 Ų | 41.6 | 81% | 0.813 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -87.3 | 138.4 | 176.3 | -65.4 | -168.2 | 162.4 | 0 | 0 | 112.5 | P1788 | P1788-E1790 PolarHBondContact O-N 2.81Š|
| 1791 | P | 81.8 | Confident | 88.8 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -86.4 | 141.7 | 179.9 | 35.4 | -36.6 | 0 | 0 | 0 | 112.5 | F1858 L1860 V1867 | P1791-F1858 HydrophobicContact CB-CB 3.99Å; P1791-F1858 HydrophobicContact CG-CB 4.04Å; P1791-F1858 HydrophobicContact CG-CD1 4.38Å; P1791-L1860 HydrophobicContact CB-CB 4.33Å; P1791-L1860 HydrophobicContact CB-CD1 3.98Å; P1791-V1867 HydrophobicContact CB-CB 4Å; P1791-V1867 HydrophobicContact CB-CG2 3.66Å; P1791-V1867 HydrophobicContact CG-CB 3.88Å; P1791-V1867 HydrophobicContact CG-CG1 4.15Å; P1791-V1867 HydrophobicContact CG-CG2 3.88Å |
| 1792 | N | 82.7 | Confident | 89 | Confident | 91 Ų | 91 | 44 Ų | 44 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 143 | 179.2 | -71.5 | -46.3 | 0 | 0 | 0 | 111.4 | Y1794 F1858 Y1859 | N1792-Y1794 HydrophobicContact CB-CD2 4.19Å; N1792-Y1794 HydrophobicContact CB-CE2 3.72Å; N1792-Y1794 WeakPolarHBondContact O-CD2 3.26Å; N1792-Y1794 PolarHBondContact O-N 3.26Å; N1792-F1858 CarbonylContact O-C 3.59Å; N1792-F1858 WeakPolarHBondContact O-CA 3.32Å; N1792-Y1859 PolarHBondContact N-O 3.09Å; N1792-Y1859 PolarHBondContact O-N 3.42Å |
| 1793 | E | 86.6 | Confident | 89.2 | Confident | 72 Ų | 72 | 41.2 Ų | 41.2 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.5 | 172.1 | -73 | -175.1 | -102 | 0 | 0 | 111.9 | F1858 K1976 | E1793-F1858 HydrophobicContact CG-CD1 3.42Å; E1793-F1858 VanDerWaalsContact CG-CD1 3.42Å; E1793-F1858 HydrophobicContact CG-CE1 3.17Å; E1793-F1858 HydrophobicContact CG-CE2 4.45Å; E1793-F1858 HydrophobicContact CG-CG 4.17Å; E1793-F1858 HydrophobicContact CG-CZ 3.74Å; E1793-K1976 HydrophobicContact CB-CB 3.77Å; E1793-K1976 HydrophobicContact CB-CD 3.79Å; E1793-K1976 HydrophobicContact CB-CG 4.48Å; E1793-K1976 HydrophobicContact CG-CD 4.19Å; E1793-K1976 PolarHBondContact O-N 2.85Å; E1793-K1976 WeakPolarHBondContact OE1-CD 3.33Å; E1793-K1976 IonicContact OE1-NZ 3.7Å; E1793-K1976 PolarHBondContact OE1-NZ 3.02Å; E1793-K1976 WeakPolarHBondContact OE2-CD 3.48Å; E1793-K1976 WeakPolarHBondContact OE2-CE 3.41Å; E1793-K1976 IonicContact OE2-NZ 3.89Å; E1793-K1976 PolarHBondContact OE2-NZ 3.24Å |
| 1794 | Y | 89.1 | Confident | 89.3 | Confident | 24 Ų | 24 | 40 Ų | 40 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 156.9 | 173.4 | -75 | -90.5 | 0 | 0 | 0 | 110.9 | N1792 P1856 F1857 Y1859 L1973 V1974 T1975 | N1792-Y1794 HydrophobicContact CB-CD2 4.19Å; N1792-Y1794 HydrophobicContact CB-CE2 3.72Å; N1792-Y1794 WeakPolarHBondContact O-CD2 3.26Å; N1792-Y1794 PolarHBondContact O-N 3.26Å; Y1794-P1856 WeakPolarHBondContact O-CA 3.2Å; Y1794-F1857 PolarHBondContact N-O 3.38Å; Y1794-F1857 PolarHBondContact O-N 3.1Å; Y1794-F1857 VanDerWaalsContact O-O 3.06Å; Y1794-Y1859 HydrophobicContact CD2-CD1 4.3Å; Y1794-Y1859 AromaticContact CE2-CD1 3.98Å; Y1794-Y1859 HydrophobicContact CE2-CD1 3.98Å; Y1794-L1973 HydrophobicContact CD1-CD1 4.23Å; Y1794-L1973 HydrophobicContact CD1-CD2 3.9Å; Y1794-L1973 HydrophobicContact CD1-CG 3.88Å; Y1794-L1973 HydrophobicContact CE1-CD2 4.21Å; Y1794-L1973 HydrophobicContact CG-CD1 4.5Å; Y1794-V1974 CarbonylContact C-O 3.3Å; Y1794-V1974 WeakPolarHBondContact CA-O 3.46Å; Y1794-V1974 WeakPolarHBondContact CD1-O 3.35Å; Y1794-T1975 HydrophobicContact CD1-CG2 4.17Å; Y1794-T1975 HydrophobicContact CE1-CG2 3.72Å |
| 1795 | I | 91.2 | Very high | 89.2 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 16% | 0.159 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.6 | 171.8 | -55.8 | -170.7 | 0 | 0 | 0 | 108.1 | R1797 V1854 F1855 P1856 V1974 A1979 | I1795-R1797 HydrophobicContact CG2-CG 4.31Å; I1795-V1854 HydrophobicContact CG2-CG1 3.41Å; I1795-V1854 VanDerWaalsContact CG2-CG1 3.41Å; I1795-F1855 WeakPolarHBondContact CA-O 3.22Å; I1795-P1856 HydrophobicContact CG1-CB 4.21Å; I1795-V1974 HydrophobicContact CB-CG2 3.98Å; I1795-V1974 PolarHBondContact N-O 2.73Å; I1795-V1974 WeakPolarHBondContact O-CG2 3.4Å; I1795-V1974 PolarHBondContact O-N 2.65Å; I1795-V1974 VanDerWaalsContact O-N 3.11Å; I1795-A1979 HydrophobicContact CD1-CB 3.68Å; I1795-A1979 HydrophobicContact CG1-CB 4.32Å |
| 1796 | L | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 121 | 169.1 | 175.2 | 63.9 | 0 | 0 | 0 | 108.8 | L1827 F1855 F1857 L1888 L1911 L1941 M1971 L1973 | L1796-L1827 HydrophobicContact CD2-CD2 3.96Å; L1796-F1855 HydrophobicContact CB-CB 4.38Å; L1796-F1855 HydrophobicContact CD2-CD2 4.17Å; L1796-F1855 HydrophobicContact CG-CD2 4.39Å; L1796-F1855 PolarHBondContact N-O 2.89Å; L1796-F1855 PolarHBondContact O-N 3.27Å; L1796-F1857 HydrophobicContact CB-CE1 3.89Å; L1796-L1888 HydrophobicContact CD2-CD1 4.05Å; L1796-L1888 HydrophobicContact CD2-CD2 4.29Å; L1796-L1911 HydrophobicContact CD2-CD1 3.96Å; L1796-L1911 HydrophobicContact CD2-CD2 4.36Å; L1796-L1941 HydrophobicContact CD1-CD2 3.67Å; L1796-M1971 HydrophobicContact CD1-CB 4.26Å; L1796-M1971 HydrophobicContact CD1-CG 4.27Å; L1796-L1973 HydrophobicContact CB-CD1 4.16Å; L1796-L1973 HydrophobicContact CD1-CD1 4.5Å |
| 1797 | R | 93.5 | Very high | 89 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.038 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.5 | 173.3 | -60.4 | 172.2 | -180 | -162.2 | -7.5 | 107.7 | I1795 F1853 M1971 E1972 A1979 R1982 | I1795-R1797 HydrophobicContact CG2-CG 4.31Å; R1797-F1853 WeakPolarHBondContact CA-O 3.31Å; R1797-M1971 CarbonylContact O-C 3.09Å; R1797-M1971 WeakPolarHBondContact O-CA 3.19Å; R1797-E1972 HydrophobicContact CB-CB 4.38Å; R1797-E1972 PolarHBondContact N-O 3.39Å; R1797-E1972 PolarHBondContact O-N 2.73Å; R1797-A1979 VanDerWaalsContact NH2-CA 3.34Å; R1797-R1982 PolarHBondContact NH1-O 2.81Å; R1797-R1982 PolarHBondContact NH2-O 2.79Å |
| 1798 | L | 94.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 113.1 | 176.7 | -178.8 | 74 | 0 | 0 | 0 | 109 | V1800 R1852 F1853 L1888 L1890 M1969 E1970 M1971 | L1798-V1800 HydrophobicContact CD2-CG2 4.11Å; L1798-V1800 HydrophobicContact CG-CG2 4.33Å; L1798-R1852 CarbonylContact O-C 3.55Å; L1798-R1852 WeakPolarHBondContact O-CA 3.32Å; L1798-F1853 HydrophobicContact CB-CB 4.31Å; L1798-F1853 HydrophobicContact CD2-CD2 3.88Å; L1798-F1853 HydrophobicContact CD2-CE2 4.42Å; L1798-F1853 PolarHBondContact N-O 3.09Å; L1798-F1853 PolarHBondContact O-N 3.44Å; L1798-L1888 HydrophobicContact CD2-CD2 4.5Å; L1798-L1890 HydrophobicContact CD2-CD1 4.03Å; L1798-L1890 HydrophobicContact CD2-CD2 3.54Å; L1798-L1890 HydrophobicContact CD2-CG 4.37Å; L1798-M1969 HydrophobicContact CD1-CB 3.97Å; L1798-M1969 HydrophobicContact CD1-CG 4.04Å; L1798-M1969 HydrophobicContact CD1-SD 3.72Å; L1798-M1969 HydrophobicContact CD2-SD 4.37Å; L1798-E1970 CarbonylContact C-O 3.58Å; L1798-E1970 WeakPolarHBondContact CA-O 3.39Å; L1798-M1971 HydrophobicContact CD1-CB 4.46Å; L1798-M1971 HydrophobicContact CD1-CG 3.28Å; L1798-M1971 HydrophobicContact CD1-SD 4.27Å |
| 1799 | V | 94.2 | Very high | 87.8 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.2 | 168 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | W1801 W1851 R1852 M1969 E1970 P1995 L1997 | V1799-W1801 HydrophobicContact CG1-CD2 3.8Å; V1799-W1801 HydrophobicContact CG1-CE3 4.31Å; V1799-W1801 HydrophobicContact CG1-CG 4.19Å; V1799-W1801 HydrophobicContact CG1-CH2 4.31Å; V1799-W1801 HydrophobicContact CG1-CZ2 3.8Å; V1799-W1801 PolarHBondContact O-N 3.28Å; V1799-W1851 WeakPolarHBondContact CA-O 3.49Å; V1799-R1852 HydrophobicContact CG2-CG 4.2Å; V1799-M1969 CarbonylContact O-C 3.43Å; V1799-M1969 VanDerWaalsContact O-CA 3.23Å; V1799-M1969 WeakPolarHBondContact O-CA 3.45Å; V1799-M1969 WeakPolarHBondContact O-CB 3.41Å; V1799-E1970 HydrophobicContact CB-CB 4.42Å; V1799-E1970 PolarHBondContact N-O 2.86Å; V1799-E1970 PolarHBondContact O-N 3.07Å; V1799-P1995 HydrophobicContact CG2-CG 4.44Å; V1799-L1997 HydrophobicContact CG1-CD1 4.24Å; V1799-L1997 HydrophobicContact CG1-CD2 3.8Å; V1799-L1997 HydrophobicContact CG2-CD1 4.48Å |
| 1800 | V | 95 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 106.6 | 166.5 | -179.5 | 0 | 0 | 0 | 0 | 107 | L1798 V1823 T1836 F1849 N1850 W1851 F1853 I1967 | L1798-V1800 HydrophobicContact CD2-CG2 4.11Å; L1798-V1800 HydrophobicContact CG-CG2 4.33Å; V1800-V1823 HydrophobicContact CG1-CG2 4.44Å; V1800-T1836 HydrophobicContact CB-CG2 4.27Å; V1800-T1836 HydrophobicContact CG1-CG2 4.28Å; V1800-T1836 HydrophobicContact CG2-CG2 4.48Å; V1800-F1849 HydrophobicContact CG1-CB 4.35Å; V1800-F1849 HydrophobicContact CG1-CD2 3.82Å; V1800-F1849 HydrophobicContact CG1-CG 4.33Å; V1800-N1850 PolarHBondContact O-N 3.18Å; V1800-W1851 PolarHBondContact N-O 2.92Å; V1800-W1851 PolarHBondContact O-N 3.06Å; V1800-F1853 HydrophobicContact CG2-CE2 4.16Å; V1800-F1853 HydrophobicContact CG2-CZ 4.45Å; V1800-I1967 HydrophobicContact CG1-CD1 3.97Å; V1800-I1967 HydrophobicContact CG1-CG1 4.29Å; V1800-I1967 HydrophobicContact CG2-CD1 4.16Å |
| 1801 | W | 92.8 | Very high | 86.6 | Confident | 69 Ų | 69 | 40.3 Ų | 40.3 | 26% | 0.261 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -63.1 | 178.1 | -70.3 | 105.1 | 0 | 0 | 0 | 109.4 | V1799 F1849 N1850 E1968 E1970 L1997 | V1799-W1801 HydrophobicContact CG1-CD2 3.8Å; V1799-W1801 HydrophobicContact CG1-CE3 4.31Å; V1799-W1801 HydrophobicContact CG1-CG 4.19Å; V1799-W1801 HydrophobicContact CG1-CH2 4.31Å; V1799-W1801 HydrophobicContact CG1-CZ2 3.8Å; V1799-W1801 PolarHBondContact O-N 3.28Å; W1801-F1849 PolarHBondContact O-N 3.45Å; W1801-N1850 HydrophobicContact CE3-CB 4.49Å; W1801-N1850 HydrophobicContact CZ3-CB 4.47Å; W1801-N1850 PolarHBondContact O-N 3.29Å; W1801-E1968 HydrophobicContact CB-CB 4.49Å; W1801-E1968 HydrophobicContact CB-CG 4.2Å; W1801-E1968 PolarHBondContact N-O 3.32Å; W1801-E1970 PolarHBondContact NE1-OE2 3.42Å; W1801-L1997 HydrophobicContact CH2-CD2 3.54Å; W1801-L1997 HydrophobicContact CZ2-CD2 4.18Å; W1801-L1997 HydrophobicContact CZ3-CD2 3.87Å |
| 1802 | N | 92.8 | Very high | 85.6 | Confident | 25 Ų | 25 | 40 Ų | 40 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 163.2 | -173.1 | -58.3 | -61.8 | 0 | 0 | 0 | 111.5 | F1804 G1847 N1848 E1968 | N1802-F1804 HydrophobicContact CB-CD2 4.18Å; N1802-F1804 HydrophobicContact CB-CE2 3.45Å; N1802-F1804 VanDerWaalsContact CB-CE2 3.45Å; N1802-F1804 HydrophobicContact CB-CZ 3.75Å; N1802-G1847 CarbonylContact C-O 3.51Å; N1802-G1847 WeakPolarHBondContact CA-O 3.32Å; N1802-G1847 VanDerWaalsContact CB-O 3.27Å; N1802-G1847 WeakPolarHBondContact CB-O 3.49Å; N1802-N1848 WeakPolarHBondContact OD1-CA 3.48Å; N1802-N1848 PolarHBondContact OD1-ND2 2.87Å; N1802-E1968 HydrophobicContact CB-CB 4.23Å; N1802-E1968 PolarHBondContact N-O 2.6Å; N1802-E1968 PolarHBondContact ND2-OE2 3.14Å; N1802-E1968 PolarHBondContact O-N 2.98Å |
| 1803 | T | 92.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 156.8 | 157.7 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | V1823 E1846 G1847 F1849 F1953 K1966 I1967 | T1803-V1823 HydrophobicContact CG2-CG2 3.78Å; T1803-E1846 CarbonylContact O-C 3.58Å; T1803-E1846 VanDerWaalsContact O-CA 3.25Å; T1803-E1846 WeakPolarHBondContact O-CA 3.17Å; T1803-G1847 PolarHBondContact N-O 3.39Å; T1803-G1847 PolarHBondContact O-N 3.35Å; T1803-G1847 VanDerWaalsContact OG1-CA 3.26Å; T1803-G1847 WeakPolarHBondContact OG1-CA 3.48Å; T1803-G1847 PolarHBondContact OG1-N 2.75Å; T1803-G1847 VanDerWaalsContact OG1-N 3.14Å; T1803-F1849 HydrophobicContact CG2-CE2 3.99Å; T1803-F1953 HydrophobicContact CG2-CE2 4.14Å; T1803-K1966 CarbonylContact C-O 3.54Å; T1803-K1966 WeakPolarHBondContact CA-O 3.39Å; T1803-K1966 WeakPolarHBondContact CB-O 3.45Å; T1803-I1967 HydrophobicContact CG2-CB 4.35Å; T1803-I1967 HydrophobicContact CG2-CG1 4.22Å |
| 1804 | F | 91.6 | Very high | 83.3 | Confident | 27 Ų | 27 | 42 Ų | 42 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 153 | -175 | -67.2 | -77.7 | 0 | 0 | 0 | 111 | N1802 V1806 G1845 E1846 R1921 F1950 K1966 E1968 | N1802-F1804 HydrophobicContact CB-CD2 4.18Å; N1802-F1804 HydrophobicContact CB-CE2 3.45Å; N1802-F1804 VanDerWaalsContact CB-CE2 3.45Å; N1802-F1804 HydrophobicContact CB-CZ 3.75Å; F1804-V1806 PolarHBondContact O-N 2.98Å; F1804-V1806 VanDerWaalsContact O-N 3.12Å; F1804-G1845 CarbonylContact C-O 3.57Å; F1804-G1845 VanDerWaalsContact C-O 3.28Å; F1804-G1845 VanDerWaalsContact CA-O 3.32Å; F1804-G1845 WeakPolarHBondContact CA-O 3.26Å; F1804-E1846 HydrophobicContact CD1-CB 4.39Å; F1804-E1846 HydrophobicContact CD1-CG 3.75Å; F1804-E1846 HydrophobicContact CE1-CG 4.27Å; F1804-R1921 HydrophobicContact CB-CG 4.25Å; F1804-F1950 HydrophobicContact CD2-CD1 4.25Å; F1804-F1950 AromaticContact CD2-CE1 3.68Å; F1804-F1950 HydrophobicContact CD2-CE1 3.68Å; F1804-F1950 AromaticContact CE2-CE1 3.66Å; F1804-F1950 HydrophobicContact CE2-CE1 3.66Å; F1804-F1950 HydrophobicContact CE2-CZ 4.43Å; F1804-K1966 HydrophobicContact CB-CB 4.47Å; F1804-K1966 PolarHBondContact N-O 2.9Å; F1804-K1966 PolarHBondContact O-N 3.36Å; F1804-E1968 HydrophobicContact CD2-CB 4.36Å; F1804-E1968 HydrophobicContact CE2-CB 3.98Å |
| 1805 | D | 89.3 | Confident | 82.1 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 55.1 | 26 | 179 | -54.5 | -46.3 | 0 | 0 | 0 | 112.8 | G1845 R1921 K1966 | D1805-G1845 PolarHBondContact N-O 3.44Å; D1805-G1845 VanDerWaalsContact N-O 3.17Å; D1805-R1921 IonicContact OD1-CZ 3.93Å; D1805-R1921 IonicContact OD1-NE 3.09Å; D1805-R1921 PolarHBondContact OD1-NE 3.49Å; D1805-R1921 IonicContact OD1-NH2 3.22Å; D1805-R1921 PolarHBondContact OD1-NH2 2.94Å; D1805-R1921 IonicContact OD2-CZ 3.06Å; D1805-R1921 IonicContact OD2-NE 3.38Å; D1805-R1921 PolarHBondContact OD2-NE 3.16Å; D1805-R1921 IonicContact OD2-NH2 2.84Å; D1805-K1966 HydrophobicContact CB-CD 4.31Å; D1805-K1966 VanDerWaalsContact OD2-CD 3.3Å; D1805-K1966 WeakPolarHBondContact OD2-CD 3.48Å; D1805-K1966 VanDerWaalsContact OD2-CE 3.25Å; D1805-K1966 WeakPolarHBondContact OD2-CE 3.33Å; D1805-K1966 IonicContact OD2-NZ 2.62Å; D1805-K1966 PolarHBondContact OD2-NZ 2.95Å |
| 1806 | V | 88.4 | Confident | 81 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | trans | -69.6 | 137.1 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | F1804 I1821 G1845 V1892 I1904 T1964 | F1804-V1806 PolarHBondContact O-N 2.98Å; F1804-V1806 VanDerWaalsContact O-N 3.12Å; V1806-I1821 HydrophobicContact CB-CD1 3.81Å; V1806-I1821 HydrophobicContact CG1-CD1 3.98Å; V1806-I1821 HydrophobicContact CG1-CG1 4.16Å; V1806-I1821 HydrophobicContact CG1-CG2 4.26Å; V1806-I1821 HydrophobicContact CG2-CD1 4.16Å; V1806-I1821 HydrophobicContact CG2-CG2 4.45Å; V1806-G1845 WeakPolarHBondContact CB-O 3.33Å; V1806-G1845 WeakPolarHBondContact CG2-O 3.33Å; V1806-G1845 PolarHBondContact N-O 3.29Å; V1806-G1845 VanDerWaalsContact O-CA 3.24Å; V1806-G1845 WeakPolarHBondContact O-CA 3.32Å; V1806-V1892 HydrophobicContact CG1-CG2 4.03Å; V1806-V1892 HydrophobicContact CG2-CG2 4.47Å; V1806-I1904 HydrophobicContact CG1-CD1 3.83Å; V1806-I1904 HydrophobicContact CG1-CG2 3.91Å; V1806-T1964 WeakPolarHBondContact CA-O 3.3Å | ||
| 1807 | V | 84.4 | Confident | 80.2 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | trans | -58.6 | 145.3 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 110 | D1809 S1819 I1904 T1964 | V1807-D1809 WeakPolarHBondContact CG1-OD1 3.11Å; V1807-S1819 PolarHBondContact O-OG 2.91Å; V1807-I1904 HydrophobicContact CB-CG2 4.26Å; V1807-T1964 HydrophobicContact CG2-CG2 4.3Å; V1807-T1964 PolarHBondContact N-O 3.02Å; V1807-T1964 VanDerWaalsContact N-O 3.09Å | ||
| 1808 | L | 79.3 | Confident | 79.5 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | trans | -112.8 | 95 | -177 | -62.8 | -177.7 | 0 | 0 | 0 | 109.8 | Q1817 S1819 S1842 | L1808-Q1817 HydrophobicContact CB-CB 4.12Å; L1808-Q1817 HydrophobicContact CD1-CB 4.45Å; L1808-Q1817 PolarHBondContact O-NE2 2.98Å; L1808-Q1817 VanDerWaalsContact O-NE2 3.13Å; L1808-S1819 WeakPolarHBondContact CA-OG 3.34Å; L1808-S1842 WeakPolarHBondContact CD2-O 3.38Å | ||
| 1809 | D | 68.6 | Low | 79 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | trans | -91.7 | -29.2 | -169.7 | -71.6 | -45.9 | 0 | 0 | 0 | 113.4 | V1807 S1819 | V1807-D1809 WeakPolarHBondContact CG1-OD1 3.11Å; D1809-S1819 PolarHBondContact N-OG 2.93Å | ||
| 1810 | E | 68.7 | Low | 78.7 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 158.3 | 172.2 | -72.3 | -154.3 | 137.8 | 0 | 0 | 114 | Q1817 M1818 | E1810-Q1817 VanDerWaalsContact O-CA 3.24Å; E1810-Q1817 WeakPolarHBondContact O-CA 3.41Å; E1810-M1818 WeakPolarHBondContact CA-O 3.15Å; E1810-M1818 HydrophobicContact CB-CG 4.32Å; E1810-M1818 VanDerWaalsContact CB-O 3.29Å; E1810-M1818 WeakPolarHBondContact CB-O 3.48Å; E1810-M1818 PolarHBondContact N-O 2.9Å; E1810-M1818 PolarHBondContact O-N 3.25Å |
| 1811 | K | 67.8 | Low | 78.5 | Confident | 154 Ų | 154 | 51.1 Ų | 51.1 | 67% | 0.67 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.1 | 161.7 | -76.6 | 173.2 | -176.7 | 162.3 | 0 | 110.7 | Q1817 | K1811-Q1817 HydrophobicContact CG-CG 3.8Å |
| 1812 | S | 62 | Low | 78.5 | Confident | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | trans | -59.5 | 161.1 | 175.7 | 73.8 | 0 | 0 | 0 | 0 | 113.2 | T1814 G1815 E1816 M1818 | S1812-T1814 PolarHBondContact O-N 3.2Å; S1812-T1814 PolarHBondContact OG-N 3.07Å; S1812-T1814 PolarHBondContact OG-OG1 3.33Å; S1812-G1815 PolarHBondContact O-N 2.94Å; S1812-E1816 WeakPolarHBondContact CB-O 3.35Å; S1812-E1816 PolarHBondContact N-O 2.67Å; S1812-E1816 PolarHBondContact OG-N 3.18Å; S1812-E1816 PolarHBondContact OG-O 2.71Å; S1812-E1816 VanDerWaalsContact OG-O 3.07Å; S1812-M1818 VanDerWaalsContact CB-CE 3.49Å; S1812-M1818 VanDerWaalsContact CB-SD 3.54Å | ||
| 1813 | I | 61.7 | Low | 78.7 | Confident | 152 Ų | 152 | 46.8 Ų | 46.8 | 78% | 0.779 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -20.8 | 170.3 | -55.9 | 167.6 | 0 | 0 | 0 | 112.7 | W2009 | I1813-W2009 HydrophobicContact CD1-CZ2 4.46Š|
| 1814 | T | 58.3 | Low | 78.7 | Confident | 53 Ų | 53 | 49 Ų | 49 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 9.3 | 177.3 | 76.8 | 0 | 0 | 0 | 0 | 114.8 | S1812 E1816 I2020 K2024 | S1812-T1814 PolarHBondContact O-N 3.2Å; S1812-T1814 PolarHBondContact OG-N 3.07Å; S1812-T1814 PolarHBondContact OG-OG1 3.33Å; T1814-E1816 VanDerWaalsContact C-N 3.31Å; T1814-E1816 PolarHBondContact O-N 2.81Å; T1814-E1816 PolarHBondContact OG1-OE2 3.16Å; T1814-I2020 HydrophobicContact CG2-CG2 4.2Å; T1814-K2024 HydrophobicContact CG2-CD 4.45Å; T1814-K2024 PolarHBondContact OG1-NZ 3.29Å |
| 1815 | G | 63.4 | Low | 78.9 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 82.6 | -7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1812 | S1812-G1815 PolarHBondContact O-N 2.94Š|
| 1816 | E | 68.7 | Low | 79.1 | Confident | 71 Ų | 71 | 46 Ų | 46 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | trans | -73.1 | 129.2 | 176.6 | -66.2 | 167.2 | 171.6 | 0 | 0 | 110.4 | S1812 T1814 M1818 L1843 K2024 | S1812-E1816 WeakPolarHBondContact CB-O 3.35Å; S1812-E1816 PolarHBondContact N-O 2.67Å; S1812-E1816 PolarHBondContact OG-N 3.18Å; S1812-E1816 PolarHBondContact OG-O 2.71Å; S1812-E1816 VanDerWaalsContact OG-O 3.07Å; T1814-E1816 VanDerWaalsContact C-N 3.31Å; T1814-E1816 PolarHBondContact O-N 2.81Å; T1814-E1816 PolarHBondContact OG1-OE2 3.16Å; E1816-M1818 HydrophobicContact CB-CE 4.43Å; E1816-L1843 HydrophobicContact CB-CD2 3.94Å; E1816-K2024 VanDerWaalsContact OE1-CE 3.28Å; E1816-K2024 WeakPolarHBondContact OE1-CE 3.4Å; E1816-K2024 IonicContact OE1-NZ 2.75Å; E1816-K2024 PolarHBondContact OE1-NZ 3.2Å; E1816-K2024 IonicContact OE2-NZ 2.86Å | ||
| 1817 | Q | 75.9 | Confident | 79.2 | Confident | 108 Ų | 108 | 45.7 Ų | 45.7 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 143.1 | 169.9 | -75.7 | -179.9 | -86.9 | 0 | 0 | 110.9 | L1808 E1810 K1811 | L1808-Q1817 HydrophobicContact CB-CB 4.12Å; L1808-Q1817 HydrophobicContact CD1-CB 4.45Å; L1808-Q1817 PolarHBondContact O-NE2 2.98Å; L1808-Q1817 VanDerWaalsContact O-NE2 3.13Å; E1810-Q1817 VanDerWaalsContact O-CA 3.24Å; E1810-Q1817 WeakPolarHBondContact O-CA 3.41Å; K1811-Q1817 HydrophobicContact CG-CG 3.8Å |
| 1818 | M | 79.4 | Confident | 79.1 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 172.5 | 177.9 | 54.4 | -169.8 | 48 | 0 | 0 | 111.3 | E1810 S1812 E1816 R1841 S1842 L1843 | E1810-M1818 WeakPolarHBondContact CA-O 3.15Å; E1810-M1818 HydrophobicContact CB-CG 4.32Å; E1810-M1818 VanDerWaalsContact CB-O 3.29Å; E1810-M1818 WeakPolarHBondContact CB-O 3.48Å; E1810-M1818 PolarHBondContact N-O 2.9Å; E1810-M1818 PolarHBondContact O-N 3.25Å; S1812-M1818 VanDerWaalsContact CB-CE 3.49Å; S1812-M1818 VanDerWaalsContact CB-SD 3.54Å; E1816-M1818 HydrophobicContact CB-CE 4.43Å; M1818-R1841 HydrophobicContact CE-CG 3.6Å; M1818-R1841 HydrophobicContact SD-CG 3.42Å; M1818-R1841 WeakPolarHBondContact SD-CG 3.3Å; M1818-S1842 WeakPolarHBondContact CA-O 3.19Å; M1818-S1842 VanDerWaalsContact CB-O 3.32Å; M1818-S1842 WeakPolarHBondContact CB-O 3.35Å; M1818-L1843 HydrophobicContact CB-CD2 4.36Å; M1818-L1843 HydrophobicContact CE-CD2 3.42Å; M1818-L1843 VanDerWaalsContact CE-CD2 3.42Å; M1818-L1843 HydrophobicContact CE-CG 4.31Å |
| 1819 | S | 84.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 148.3 | 165.8 | -74.6 | 0 | 0 | 0 | 0 | 110 | V1807 L1808 D1809 I1821 S1842 D1894 | V1807-S1819 PolarHBondContact O-OG 2.91Å; L1808-S1819 WeakPolarHBondContact CA-OG 3.34Å; D1809-S1819 PolarHBondContact N-OG 2.93Å; S1819-I1821 PolarHBondContact O-N 3.05Å; S1819-S1842 PolarHBondContact N-O 3.13Å; S1819-S1842 VanDerWaalsContact N-O 3.15Å; S1819-S1842 VanDerWaalsContact O-CB 3.3Å; S1819-S1842 WeakPolarHBondContact O-CB 3.49Å; S1819-S1842 PolarHBondContact O-N 2.8Å; S1819-D1894 WeakPolarHBondContact CA-OD1 3.33Å; S1819-D1894 WeakPolarHBondContact CA-OD2 3.35Å; S1819-D1894 WeakPolarHBondContact CB-OD2 3.29Å; S1819-D1894 PolarHBondContact OG-OD2 3.09Å |
| 1820 | D | 87 | Confident | 79.4 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 67.6 | 174.3 | -74.5 | -13.7 | 0 | 0 | 0 | 108.8 | V1838 Y1840 R1841 D1894 N1895 | D1820-V1838 HydrophobicContact CB-CG1 3.89Å; D1820-V1838 VanDerWaalsContact O-CG1 3.29Å; D1820-V1838 WeakPolarHBondContact O-CG1 3.42Å; D1820-Y1840 HydrophobicContact CB-CD1 4.03Å; D1820-Y1840 HydrophobicContact CB-CE1 4.31Å; D1820-Y1840 VanDerWaalsContact OD1-CA 3.3Å; D1820-Y1840 WeakPolarHBondContact OD1-CA 3.33Å; D1820-Y1840 VanDerWaalsContact OD2-CD1 3.26Å; D1820-Y1840 WeakPolarHBondContact OD2-CD1 3.44Å; D1820-R1841 PolarHBondContact OD1-N 2.96Å; D1820-D1894 WeakPolarHBondContact CA-OD1 3.2Å; D1820-D1894 PolarHBondContact N-OD1 3.11Å; D1820-N1895 HydrophobicContact CB-CB 4Å; D1820-N1895 WeakPolarHBondContact O-CB 3.5Å; D1820-N1895 PolarHBondContact O-N 3.41Å |
| 1821 | I | 90.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.4 | -163.7 | -52 | 164.5 | 0 | 0 | 0 | 112.4 | V1806 S1819 H1839 F1849 V1892 W1893 | V1806-I1821 HydrophobicContact CB-CD1 3.81Å; V1806-I1821 HydrophobicContact CG1-CD1 3.98Å; V1806-I1821 HydrophobicContact CG1-CG1 4.16Å; V1806-I1821 HydrophobicContact CG1-CG2 4.26Å; V1806-I1821 HydrophobicContact CG2-CD1 4.16Å; V1806-I1821 HydrophobicContact CG2-CG2 4.45Å; S1819-I1821 PolarHBondContact O-N 3.05Å; I1821-H1839 PolarHBondContact N-O 2.86Å; I1821-H1839 PolarHBondContact O-N 2.89Å; I1821-F1849 HydrophobicContact CG2-CZ 4.21Å; I1821-F1849 WeakPolarHBondContact O-CE1 3.34Å; I1821-F1849 WeakPolarHBondContact O-CZ 3.38Å; I1821-V1892 HydrophobicContact CG2-CG2 3.61Å; I1821-W1893 WeakPolarHBondContact CA-O 2.85Å |
| 1822 | Y | 93.5 | Very high | 80.1 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 166.6 | 164.8 | 79.9 | -83 | 0 | 0 | 0 | 113.1 | K1824 K1835 V1838 V1892 W1893 N1895 D1901 | Y1822-K1824 HydrophobicContact CD2-CG 4.45Å; Y1822-K1824 HydrophobicContact CE2-CD 4.3Å; Y1822-K1824 VanDerWaalsContact CE2-CE 3.48Å; Y1822-K1824 HydrophobicContact CE2-CG 3.77Å; Y1822-K1824 WeakPolarHBondContact OH-CE 3.22Å; Y1822-K1824 PolarHBondContact OH-NZ 3.29Å; Y1822-K1835 HydrophobicContact CD2-CB 4.28Å; Y1822-K1835 HydrophobicContact CD2-CD 4.43Å; Y1822-K1835 HydrophobicContact CE2-CB 4.26Å; Y1822-K1835 HydrophobicContact CE2-CD 3.97Å; Y1822-V1838 HydrophobicContact CD1-CG2 4.4Å; Y1822-V1838 HydrophobicContact CG-CG2 4.39Å; Y1822-V1892 WeakPolarHBondContact O-CA 3.46Å; Y1822-W1893 HydrophobicContact CD1-CB 3.94Å; Y1822-W1893 HydrophobicContact CE1-CB 3.51Å; Y1822-W1893 HydrophobicContact CE1-CG 4.44Å; Y1822-W1893 HydrophobicContact CE2-CB 4.37Å; Y1822-W1893 PolarHBondContact N-O 3.37Å; Y1822-W1893 PolarHBondContact O-N 2.62Å; Y1822-N1895 HydrophobicContact CD1-CB 3.91Å; Y1822-N1895 HydrophobicContact CE1-CB 4.04Å; Y1822-D1901 HydrophobicContact CE1-CB 4.32Å; Y1822-D1901 PolarHBondContact OH-OD2 2.79Å |
| 1823 | V | 95.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137.5 | -177.3 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | V1800 T1803 K1835 T1836 F1849 L1890 Q1891 F1953 I1967 | V1800-V1823 HydrophobicContact CG1-CG2 4.44Å; T1803-V1823 HydrophobicContact CG2-CG2 3.78Å; V1823-K1835 CarbonylContact O-C 3.55Å; V1823-K1835 WeakPolarHBondContact O-CA 3.2Å; V1823-T1836 HydrophobicContact CB-CG2 4.02Å; V1823-T1836 PolarHBondContact N-OG1 2.75Å; V1823-T1836 PolarHBondContact O-N 3.34Å; V1823-F1849 HydrophobicContact CG2-CE2 4.38Å; V1823-L1890 HydrophobicContact CG1-CD2 4.38Å; V1823-Q1891 CarbonylContact C-O 3.38Å; V1823-Q1891 VanDerWaalsContact CA-O 3.27Å; V1823-Q1891 WeakPolarHBondContact CA-O 3.12Å; V1823-Q1891 WeakPolarHBondContact CG1-O 3.5Å; V1823-F1953 HydrophobicContact CG1-CZ 4.33Å; V1823-F1953 HydrophobicContact CG2-CZ 4.49Å; V1823-I1967 HydrophobicContact CG1-CD1 4.06Å; V1823-I1967 HydrophobicContact CG2-CD1 4.39Å |
| 1824 | K | 94.8 | Very high | 82.9 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 151.2 | 168.8 | -61.3 | 178.2 | -172.8 | 145.2 | 0 | 110.1 | Y1822 W1826 Q1834 K1835 L1890 Q1891 W1893 | Y1822-K1824 HydrophobicContact CD2-CG 4.45Å; Y1822-K1824 HydrophobicContact CE2-CD 4.3Å; Y1822-K1824 VanDerWaalsContact CE2-CE 3.48Å; Y1822-K1824 HydrophobicContact CE2-CG 3.77Å; Y1822-K1824 WeakPolarHBondContact OH-CE 3.22Å; Y1822-K1824 PolarHBondContact OH-NZ 3.29Å; K1824-W1826 HydrophobicContact CB-CZ3 4.4Å; K1824-Q1834 CarbonylContact C-O 3.6Å; K1824-Q1834 VanDerWaalsContact CA-O 3.3Å; K1824-Q1834 WeakPolarHBondContact CA-O 3.07Å; K1824-K1835 HydrophobicContact CG-CB 4.14Å; K1824-L1890 CarbonylContact O-C 3.55Å; K1824-L1890 WeakPolarHBondContact O-CA 3.2Å; K1824-Q1891 HydrophobicContact CB-CB 4.5Å; K1824-Q1891 PolarHBondContact N-O 2.78Å; K1824-Q1891 PolarHBondContact O-N 2.77Å; K1824-W1893 HydrophobicContact CD-CG 4.44Å |
| 1825 | G | 94.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 147.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1834 F1855 V1889 | G1825-Q1834 PolarHBondContact N-O 2.52Å; G1825-Q1834 PolarHBondContact O-N 2.81Å; G1825-F1855 WeakPolarHBondContact O-CE1 3.29Å; G1825-F1855 WeakPolarHBondContact O-CZ 3.09Å; G1825-V1889 VanDerWaalsContact CA-O 3.27Å; G1825-V1889 WeakPolarHBondContact CA-O 3.37Å |
| 1826 | W | 94.1 | Very high | 86.1 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 11% | 0.114 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 167.3 | 174.5 | 64.9 | 99.8 | 0 | 0 | 0 | 111.9 | K1824 R1833 V1889 Q1891 | K1824-W1826 HydrophobicContact CB-CZ3 4.4Å; W1826-R1833 HydrophobicContact CB-CB 4.5Å; W1826-R1833 HydrophobicContact CB-CG 3.98Å; W1826-R1833 HydrophobicContact CD2-CG 4.02Å; W1826-R1833 HydrophobicContact CE3-CG 4.09Å; W1826-R1833 HydrophobicContact CG-CG 3.98Å; W1826-V1889 HydrophobicContact CD2-CB 4.15Å; W1826-V1889 HydrophobicContact CD2-CG1 4.45Å; W1826-V1889 HydrophobicContact CH2-CB 4.46Å; W1826-V1889 HydrophobicContact CH2-CG1 3.73Å; W1826-V1889 HydrophobicContact CZ2-CB 3.93Å; W1826-V1889 HydrophobicContact CZ2-CG1 3.46Å; W1826-V1889 VanDerWaalsContact CZ2-CG1 3.46Å; W1826-V1889 HydrophobicContact CZ3-CG1 4.32Å; W1826-V1889 PolarHBondContact N-O 3.49Å; W1826-V1889 PolarHBondContact O-N 3.41Å; W1826-Q1891 HydrophobicContact CH2-CG 4.09Å; W1826-Q1891 HydrophobicContact CZ3-CG 4.24Å |
| 1827 | L | 90.9 | Very high | 87 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 136.6 | 168.7 | -68.4 | 173.5 | 0 | 0 | 0 | 109.7 | L1796 G1829 L1830 F1855 F1857 I1866 Q1887 L1888 L1911 | L1796-L1827 HydrophobicContact CD2-CD2 3.96Å; L1827-G1829 PolarHBondContact O-N 2.76Å; L1827-L1830 HydrophobicContact CB-CB 4.44Å; L1827-L1830 HydrophobicContact CB-CD1 4Å; L1827-L1830 HydrophobicContact CD1-CD1 4.07Å; L1827-L1830 PolarHBondContact O-N 2.72Å; L1827-F1855 HydrophobicContact CD1-CB 3.8Å; L1827-F1855 HydrophobicContact CG-CB 4.21Å; L1827-F1855 HydrophobicContact CG-CG 4.43Å; L1827-F1857 HydrophobicContact CD1-CB 4.13Å; L1827-F1857 HydrophobicContact CD1-CD1 3.61Å; L1827-F1857 HydrophobicContact CD1-CE1 4.09Å; L1827-F1857 HydrophobicContact CD1-CG 3.87Å; L1827-I1866 HydrophobicContact CB-CD1 4.49Å; L1827-I1866 HydrophobicContact CD1-CD1 4.19Å; L1827-Q1887 CarbonylContact C-O 3.5Å; L1827-Q1887 WeakPolarHBondContact CA-O 3.31Å; L1827-L1888 HydrophobicContact CD2-CB 4.05Å; L1827-L1888 HydrophobicContact CD2-CD1 4.13Å; L1827-L1911 HydrophobicContact CD2-CD1 3.86Å |
| 1828 | A | 81.7 | Confident | 87.6 | Confident | 26 Ų | 26 | 37 Ų | 37 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 131.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1830 Q1887 | A1828-L1830 VanDerWaalsContact C-N 3.32Å; A1828-L1830 PolarHBondContact O-N 3.42Å; A1828-Q1887 HydrophobicContact CB-CB 3.94Å; A1828-Q1887 HydrophobicContact CB-CG 4.47Å; A1828-Q1887 PolarHBondContact N-O 2.69Å |
| 1829 | G | 75 | Confident | 88.1 | Confident | 45 Ų | 45 | 37 Ų | 37 | 46% | 0.464 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -18.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1827 I1868 | L1827-G1829 PolarHBondContact O-N 2.76Å; G1829-I1868 VanDerWaalsContact C-CD1 3.46Å; G1829-I1868 WeakPolarHBondContact O-CD1 3.49Å |
| 1830 | L | 79.8 | Confident | 88 | Confident | 42 Ų | 42 | 39.6 Ų | 39.6 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | trans | -98.8 | 133.3 | 178.1 | -69.2 | 170.1 | 0 | 0 | 0 | 111.9 | L1827 A1828 D1832 F1857 I1868 | L1827-L1830 HydrophobicContact CB-CB 4.44Å; L1827-L1830 HydrophobicContact CB-CD1 4Å; L1827-L1830 HydrophobicContact CD1-CD1 4.07Å; L1827-L1830 PolarHBondContact O-N 2.72Å; A1828-L1830 VanDerWaalsContact C-N 3.32Å; A1828-L1830 PolarHBondContact O-N 3.42Å; L1830-D1832 PolarHBondContact O-N 2.71Å; L1830-F1857 HydrophobicContact CD1-CB 3.74Å; L1830-I1868 HydrophobicContact CD2-CD1 4.41Å; L1830-I1868 HydrophobicContact CD2-CG1 4.22Å; L1830-I1868 HydrophobicContact CD2-CG2 4.19Å; L1830-I1868 HydrophobicContact CG-CD1 4.35Å | ||
| 1831 | D | 69.6 | Low | 87.7 | Confident | 117 Ų | 117 | 40.6 Ų | 40.6 | 63% | 0.626 | 20% | 0.201 | S | C | * | . | trans | -80.7 | -4.4 | -175.7 | -77 | -31.2 | 0 | 0 | 0 | 114.7 | R1833 R1870 | D1831-R1833 VanDerWaalsContact C-N 3.3Å; D1831-R1833 PolarHBondContact O-N 2.75Å; D1831-R1870 IonicContact OD2-CZ 2.67Å; D1831-R1870 IonicContact OD2-NH1 3.08Å; D1831-R1870 PolarHBondContact OD2-NH1 3.11Å | ||
| 1832 | D | 81.9 | Confident | 87.4 | Confident | 65 Ų | 65 | 40.7 Ų | 40.7 | 35% | 0.348 | 20% | 0.202 | S | C | . | . | trans | -76.6 | 72 | -180 | -173.8 | 23 | 0 | 0 | 0 | 112.3 | L1830 Q1834 F1855 K1986 | L1830-D1832 PolarHBondContact O-N 2.71Å; D1832-Q1834 PolarHBondContact O-N 3.35Å; D1832-Q1834 PolarHBondContact OD2-NE2 3.12Å; D1832-F1855 WeakPolarHBondContact O-CE1 3.2Å; D1832-K1986 IonicContact OD1-NZ 2.73Å; D1832-K1986 PolarHBondContact OD1-NZ 2.94Å; D1832-K1986 IonicContact OD2-NZ 2.71Å; D1832-K1986 PolarHBondContact OD2-NZ 2.67Å | ||
| 1833 | R | 88.8 | Confident | 86.8 | Confident | 168 Ų | 168 | 44.5 Ų | 44.5 | 63% | 0.634 | 22% | 0.222 | S | C | * | . | trans | -76.4 | 109.7 | 175.3 | -60.2 | -170.9 | -176.1 | -170.2 | 2.1 | 111.4 | W1826 D1831 | W1826-R1833 HydrophobicContact CB-CB 4.5Å; W1826-R1833 HydrophobicContact CB-CG 3.98Å; W1826-R1833 HydrophobicContact CD2-CG 4.02Å; W1826-R1833 HydrophobicContact CE3-CG 4.09Å; W1826-R1833 HydrophobicContact CG-CG 3.98Å; D1831-R1833 VanDerWaalsContact C-N 3.3Å; D1831-R1833 PolarHBondContact O-N 2.75Å | ||
| 1834 | Q | 93.8 | Very high | 86.2 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 154.1 | 180 | -62.4 | 178.5 | 36.9 | 0 | 0 | 111 | K1824 G1825 D1832 F1853 V1854 F1855 K1986 | K1824-Q1834 CarbonylContact C-O 3.6Å; K1824-Q1834 VanDerWaalsContact CA-O 3.3Å; K1824-Q1834 WeakPolarHBondContact CA-O 3.07Å; G1825-Q1834 PolarHBondContact N-O 2.52Å; G1825-Q1834 PolarHBondContact O-N 2.81Å; D1832-Q1834 PolarHBondContact O-N 3.35Å; D1832-Q1834 PolarHBondContact OD2-NE2 3.12Å; Q1834-F1853 HydrophobicContact CB-CB 4.37Å; Q1834-F1853 HydrophobicContact CB-CD1 3.67Å; Q1834-F1853 HydrophobicContact CB-CD2 4.48Å; Q1834-F1853 HydrophobicContact CB-CE1 4.04Å; Q1834-F1853 HydrophobicContact CB-CG 3.94Å; Q1834-F1853 VanDerWaalsContact OE1-CA 3.22Å; Q1834-V1854 PolarHBondContact NE2-O 3.39Å; Q1834-F1855 HydrophobicContact CB-CE1 4.05Å; Q1834-F1855 HydrophobicContact CB-CZ 4.28Å; Q1834-F1855 HydrophobicContact CG-CE1 3.82Å; Q1834-F1855 HydrophobicContact CG-CZ 4.49Å; Q1834-K1986 VanDerWaalsContact NE2-CE 3.29Å |
| 1835 | K | 93.9 | Very high | 85.6 | Confident | 125 Ų | 125 | 46.4 Ų | 46.4 | 54% | 0.543 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 153.7 | 176.7 | 69 | 176.3 | -177 | 173.3 | 0 | 112.7 | Y1822 V1823 K1824 W1851 F1853 | Y1822-K1835 HydrophobicContact CD2-CB 4.28Å; Y1822-K1835 HydrophobicContact CD2-CD 4.43Å; Y1822-K1835 HydrophobicContact CE2-CB 4.26Å; Y1822-K1835 HydrophobicContact CE2-CD 3.97Å; V1823-K1835 CarbonylContact O-C 3.55Å; V1823-K1835 WeakPolarHBondContact O-CA 3.2Å; K1824-K1835 HydrophobicContact CG-CB 4.14Å; K1835-W1851 PolarHBondContact O-NE1 3.42Å; K1835-W1851 VanDerWaalsContact O-NE1 3.14Å; K1835-F1853 VanDerWaalsContact C-CE1 3.44Å |
| 1836 | T | 93.4 | Very high | 85.4 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 173 | 175 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | V1800 V1823 F1849 W1851 F1853 | V1800-T1836 HydrophobicContact CB-CG2 4.27Å; V1800-T1836 HydrophobicContact CG1-CG2 4.28Å; V1800-T1836 HydrophobicContact CG2-CG2 4.48Å; V1823-T1836 HydrophobicContact CB-CG2 4.02Å; V1823-T1836 PolarHBondContact N-OG1 2.75Å; V1823-T1836 PolarHBondContact O-N 3.34Å; T1836-F1849 HydrophobicContact CG2-CB 4.36Å; T1836-F1849 HydrophobicContact CG2-CD1 4.2Å; T1836-F1849 HydrophobicContact CG2-CG 4.22Å; T1836-F1849 WeakPolarHBondContact OG1-CD1 3.2Å; T1836-W1851 HydrophobicContact CG2-CB 3.95Å; T1836-W1851 HydrophobicContact CG2-CG 3.9Å; T1836-F1853 HydrophobicContact CG2-CE1 4.02Å; T1836-F1853 HydrophobicContact CG2-CZ 3.79Å |
| 1837 | D | 89.1 | Confident | 85.1 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 169.4 | 154.9 | 69.6 | -25.9 | 0 | 0 | 0 | 111.1 | F1849 W1851 R1988 R2002 | D1837-F1849 VanDerWaalsContact O-CD1 3.26Å; D1837-F1849 WeakPolarHBondContact O-CD1 3.35Å; D1837-F1849 WeakPolarHBondContact O-CE1 3.17Å; D1837-W1851 HydrophobicContact CB-CE3 4.07Å; D1837-W1851 HydrophobicContact CB-CH2 4.06Å; D1837-W1851 HydrophobicContact CB-CZ3 3.51Å; D1837-R1988 IonicContact OD1-NH2 2.71Å; D1837-R1988 PolarHBondContact OD1-NH2 2.79Å; D1837-R1988 IonicContact OD2-CZ 2.81Å; D1837-R1988 IonicContact OD2-NH2 2.67Å; D1837-R1988 PolarHBondContact OD2-NH2 2.9Å; D1837-R2002 IonicContact OD1-CZ 2.71Å; D1837-R2002 IonicContact OD1-NH1 3.14Å; D1837-R2002 IonicContact OD1-NH2 3.92Å; D1837-R2002 PolarHBondContact OD1-NH2 2.65Å; D1837-R2002 IonicContact OD2-CZ 2.83Å; D1837-R2002 IonicContact OD2-NH1 3.19Å; D1837-R2002 PolarHBondContact OD2-NH1 3.34Å; D1837-R2002 IonicContact OD2-NH2 3.95Å; D1837-R2002 PolarHBondContact OD2-NH2 3.02Å; D1837-R2002 VanDerWaalsContact OD2-NH2 3.09Å |
| 1838 | V | 88.3 | Confident | 85.1 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -93.9 | 128.5 | -173.3 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | D1820 Y1822 Y1840 N1895 R2002 | D1820-V1838 HydrophobicContact CB-CG1 3.89Å; D1820-V1838 VanDerWaalsContact O-CG1 3.29Å; D1820-V1838 WeakPolarHBondContact O-CG1 3.42Å; Y1822-V1838 HydrophobicContact CD1-CG2 4.4Å; Y1822-V1838 HydrophobicContact CG-CG2 4.39Å; V1838-Y1840 VanDerWaalsContact C-N 3.33Å; V1838-Y1840 HydrophobicContact CB-CD2 4.3Å; V1838-Y1840 HydrophobicContact CB-CE1 4.09Å; V1838-Y1840 HydrophobicContact CB-CE2 3.81Å; V1838-Y1840 HydrophobicContact CG1-CD1 3.82Å; V1838-Y1840 HydrophobicContact CG1-CD2 4.27Å; V1838-Y1840 HydrophobicContact CG1-CE1 3.52Å; V1838-Y1840 HydrophobicContact CG1-CE2 4.06Å; V1838-Y1840 HydrophobicContact CG1-CG 4.14Å; V1838-Y1840 PolarHBondContact O-N 3.24Å; V1838-Y1840 VanDerWaalsContact O-N 3.15Å; V1838-N1895 HydrophobicContact CG1-CB 3.8Å; V1838-N1895 HydrophobicContact CG2-CB 3.99Å; V1838-R2002 PolarHBondContact O-NH1 2.87Å; V1838-R2002 VanDerWaalsContact O-NH1 3.08Å |
| 1839 | H | 89.2 | Confident | 85.6 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 82 | 166.4 | -170.2 | -176.6 | 0 | 0 | 0 | 109.5 | I1821 R1841 E1846 G1847 N1848 F1849 S2006 | I1821-H1839 PolarHBondContact N-O 2.86Å; I1821-H1839 PolarHBondContact O-N 2.89Å; H1839-R1841 PolarHBondContact O-N 3.43Å; H1839-E1846 PolarHBondContact CE1-O 3.09Å; H1839-E1846 VanDerWaalsContact CE1-O 3.29Å; H1839-E1846 PolarHBondContact ND1-O 3.47Å; H1839-G1847 WeakPolarHBondContact ND1-CA 3.46Å; H1839-N1848 PolarHBondContact CE1-OD1 2.86Å; H1839-N1848 PolarHBondContact ND1-N 2.96Å; H1839-N1848 VanDerWaalsContact ND1-N 3.17Å; H1839-N1848 PolarHBondContact ND1-OD1 3.45Å; H1839-F1849 HydrophobicContact CB-CE1 4.17Å; H1839-F1849 HydrophobicContact CB-CZ 4.36Å; H1839-S2006 PolarHBondContact CD2-OG 2.74Å |
| 1840 | Y | 83.7 | Confident | 86.4 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 21% | 0.212 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 132.4 | 174.9 | -69.7 | -66 | 0 | 0 | 0 | 112.1 | D1820 V1838 N1895 S2006 L2008 | D1820-Y1840 HydrophobicContact CB-CD1 4.03Å; D1820-Y1840 HydrophobicContact CB-CE1 4.31Å; D1820-Y1840 VanDerWaalsContact OD1-CA 3.3Å; D1820-Y1840 WeakPolarHBondContact OD1-CA 3.33Å; D1820-Y1840 VanDerWaalsContact OD2-CD1 3.26Å; D1820-Y1840 WeakPolarHBondContact OD2-CD1 3.44Å; V1838-Y1840 VanDerWaalsContact C-N 3.33Å; V1838-Y1840 HydrophobicContact CB-CD2 4.3Å; V1838-Y1840 HydrophobicContact CB-CE1 4.09Å; V1838-Y1840 HydrophobicContact CB-CE2 3.81Å; V1838-Y1840 HydrophobicContact CG1-CD1 3.82Å; V1838-Y1840 HydrophobicContact CG1-CD2 4.27Å; V1838-Y1840 HydrophobicContact CG1-CE1 3.52Å; V1838-Y1840 HydrophobicContact CG1-CE2 4.06Å; V1838-Y1840 HydrophobicContact CG1-CG 4.14Å; V1838-Y1840 PolarHBondContact O-N 3.24Å; V1838-Y1840 VanDerWaalsContact O-N 3.15Å; Y1840-N1895 PolarHBondContact OH-OD1 2.81Å; Y1840-N1895 VanDerWaalsContact OH-OD1 3.11Å; Y1840-S2006 WeakPolarHBondContact O-CA 3.47Å; Y1840-S2006 VanDerWaalsContact O-CB 3.27Å; Y1840-S2006 WeakPolarHBondContact O-CB 3.2Å; Y1840-S2006 PolarHBondContact O-OG 3.45Å; Y1840-L2008 HydrophobicContact CD1-CD1 3.77Å; Y1840-L2008 HydrophobicContact CE1-CD1 3.32Å; Y1840-L2008 HydrophobicContact CE2-CB 4.46Å |
| 1841 | R | 80.3 | Confident | 87.1 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 15% | 0.151 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.8 | 41.6 | 164.7 | -135.2 | 170.5 | -178.6 | -103.5 | -12.3 | 114.4 | M1818 D1820 H1839 L1843 | M1818-R1841 HydrophobicContact CE-CG 3.6Å; M1818-R1841 HydrophobicContact SD-CG 3.42Å; M1818-R1841 WeakPolarHBondContact SD-CG 3.3Å; D1820-R1841 PolarHBondContact OD1-N 2.96Å; H1839-R1841 PolarHBondContact O-N 3.43Å; R1841-L1843 PolarHBondContact O-N 3.14Å |
| 1842 | S | 84.1 | Confident | 88.3 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 113 | 175.2 | -168.3 | 0 | 0 | 0 | 0 | 110.8 | L1808 M1818 S1819 N1844 E1846 | L1808-S1842 WeakPolarHBondContact CD2-O 3.38Å; M1818-S1842 WeakPolarHBondContact CA-O 3.19Å; M1818-S1842 VanDerWaalsContact CB-O 3.32Å; M1818-S1842 WeakPolarHBondContact CB-O 3.35Å; S1819-S1842 PolarHBondContact N-O 3.13Å; S1819-S1842 VanDerWaalsContact N-O 3.15Å; S1819-S1842 VanDerWaalsContact O-CB 3.3Å; S1819-S1842 WeakPolarHBondContact O-CB 3.49Å; S1819-S1842 PolarHBondContact O-N 2.8Å; S1842-N1844 PolarHBondContact OG-OD1 3.12Å; S1842-E1846 WeakPolarHBondContact CB-O 3.31Å; S1842-E1846 PolarHBondContact OG-N 3.31Å; S1842-E1846 PolarHBondContact OG-O 3.49Å |
| 1843 | L | 81.4 | Confident | 89 | Confident | 83 Ų | 83 | 38.1 Ų | 38.1 | 44% | 0.435 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -90.8 | -4.3 | -177 | -73.4 | 166.6 | 0 | 0 | 0 | 113.5 | E1816 M1818 R1841 | E1816-L1843 HydrophobicContact CB-CD2 3.94Å; M1818-L1843 HydrophobicContact CB-CD2 4.36Å; M1818-L1843 HydrophobicContact CE-CD2 3.42Å; M1818-L1843 VanDerWaalsContact CE-CD2 3.42Å; M1818-L1843 HydrophobicContact CE-CG 4.31Å; R1841-L1843 PolarHBondContact O-N 3.14Å |
| 1844 | N | 82.3 | Confident | 89.2 | Confident | 86 Ų | 86 | 30.9 Ų | 30.9 | 46% | 0.46 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -139.6 | 12.6 | -169.5 | 65.1 | -22.9 | 0 | 0 | 0 | 113.5 | S1842 E1846 | S1842-N1844 PolarHBondContact OG-OD1 3.12Å; N1844-E1846 VanDerWaalsContact C-N 3.29Å; N1844-E1846 WeakPolarHBondContact ND2-CG 3.31Å; N1844-E1846 PolarHBondContact ND2-OE2 2.86Å; N1844-E1846 PolarHBondContact O-N 3.23Å; N1844-E1846 WeakPolarHBondContact OD1-CB 3.44Å; N1844-E1846 PolarHBondContact OD1-N 2.88Å |
| 1845 | G | 83.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 71.6 | 22.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1804 D1805 V1806 | F1804-G1845 CarbonylContact C-O 3.57Å; F1804-G1845 VanDerWaalsContact C-O 3.28Å; F1804-G1845 VanDerWaalsContact CA-O 3.32Å; F1804-G1845 WeakPolarHBondContact CA-O 3.26Å; D1805-G1845 PolarHBondContact N-O 3.44Å; D1805-G1845 VanDerWaalsContact N-O 3.17Å; V1806-G1845 WeakPolarHBondContact CB-O 3.33Å; V1806-G1845 WeakPolarHBondContact CG2-O 3.33Å; V1806-G1845 PolarHBondContact N-O 3.29Å; V1806-G1845 VanDerWaalsContact O-CA 3.24Å; V1806-G1845 WeakPolarHBondContact O-CA 3.32Å |
| 1846 | E | 88.5 | Confident | 88.9 | Confident | 47 Ų | 47 | 27.9 Ų | 27.9 | 22% | 0.22 | 14% | 0.142 | C | C | . | . | trans | -106.5 | 117.4 | 179.4 | -57.7 | -172.7 | 159.7 | 0 | 0 | 111.2 | T1803 F1804 H1839 S1842 N1844 R1921 | T1803-E1846 CarbonylContact O-C 3.58Å; T1803-E1846 VanDerWaalsContact O-CA 3.25Å; T1803-E1846 WeakPolarHBondContact O-CA 3.17Å; F1804-E1846 HydrophobicContact CD1-CB 4.39Å; F1804-E1846 HydrophobicContact CD1-CG 3.75Å; F1804-E1846 HydrophobicContact CE1-CG 4.27Å; H1839-E1846 PolarHBondContact CE1-O 3.09Å; H1839-E1846 VanDerWaalsContact CE1-O 3.29Å; H1839-E1846 PolarHBondContact ND1-O 3.47Å; S1842-E1846 WeakPolarHBondContact CB-O 3.31Å; S1842-E1846 PolarHBondContact OG-N 3.31Å; S1842-E1846 PolarHBondContact OG-O 3.49Å; N1844-E1846 VanDerWaalsContact C-N 3.29Å; N1844-E1846 WeakPolarHBondContact ND2-CG 3.31Å; N1844-E1846 PolarHBondContact ND2-OE2 2.86Å; N1844-E1846 PolarHBondContact O-N 3.23Å; N1844-E1846 WeakPolarHBondContact OD1-CB 3.44Å; N1844-E1846 PolarHBondContact OD1-N 2.88Å; E1846-R1921 IonicContact OE1-CZ 2.82Å; E1846-R1921 IonicContact OE1-NH1 3.22Å; E1846-R1921 PolarHBondContact OE1-NH1 3.37Å; E1846-R1921 IonicContact OE1-NH2 2.83Å; E1846-R1921 PolarHBondContact OE1-NH2 3.01Å | ||
| 1847 | G | 88.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | N1802 T1803 H1839 | N1802-G1847 CarbonylContact C-O 3.51Å; N1802-G1847 WeakPolarHBondContact CA-O 3.32Å; N1802-G1847 VanDerWaalsContact CB-O 3.27Å; N1802-G1847 WeakPolarHBondContact CB-O 3.49Å; T1803-G1847 PolarHBondContact N-O 3.39Å; T1803-G1847 PolarHBondContact O-N 3.35Å; T1803-G1847 VanDerWaalsContact OG1-CA 3.26Å; T1803-G1847 WeakPolarHBondContact OG1-CA 3.48Å; T1803-G1847 PolarHBondContact OG1-N 2.75Å; T1803-G1847 VanDerWaalsContact OG1-N 3.14Å; H1839-G1847 WeakPolarHBondContact ND1-CA 3.46Å |
| 1848 | N | 91.2 | Very high | 88.7 | Confident | 32 Ų | 32 | 29.1 Ų | 29.1 | 17% | 0.171 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.9 | 174.4 | -54.5 | 107.9 | 0 | 0 | 0 | 108.8 | N1802 H1839 P2000 R2002 | N1802-N1848 WeakPolarHBondContact OD1-CA 3.48Å; N1802-N1848 PolarHBondContact OD1-ND2 2.87Å; H1839-N1848 PolarHBondContact CE1-OD1 2.86Å; H1839-N1848 PolarHBondContact ND1-N 2.96Å; H1839-N1848 VanDerWaalsContact ND1-N 3.17Å; H1839-N1848 PolarHBondContact ND1-OD1 3.45Å; N1848-P2000 HydrophobicContact CB-CB 4.13Å; N1848-P2000 WeakPolarHBondContact O-CB 3.2Å; N1848-R2002 HydrophobicContact CB-CG 4.28Å; N1848-R2002 PolarHBondContact O-NE 2.83Å; N1848-R2002 PolarHBondContact O-NH2 3.12Å |
| 1849 | F | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | -48.2 | -166.4 | -56.7 | -75.2 | 0 | 0 | 0 | 113.8 | V1800 W1801 T1803 I1821 V1823 T1836 D1837 H1839 W1851 | V1800-F1849 HydrophobicContact CG1-CB 4.35Å; V1800-F1849 HydrophobicContact CG1-CD2 3.82Å; V1800-F1849 HydrophobicContact CG1-CG 4.33Å; W1801-F1849 PolarHBondContact O-N 3.45Å; T1803-F1849 HydrophobicContact CG2-CE2 3.99Å; I1821-F1849 HydrophobicContact CG2-CZ 4.21Å; I1821-F1849 WeakPolarHBondContact O-CE1 3.34Å; I1821-F1849 WeakPolarHBondContact O-CZ 3.38Å; V1823-F1849 HydrophobicContact CG2-CE2 4.38Å; T1836-F1849 HydrophobicContact CG2-CB 4.36Å; T1836-F1849 HydrophobicContact CG2-CD1 4.2Å; T1836-F1849 HydrophobicContact CG2-CG 4.22Å; T1836-F1849 WeakPolarHBondContact OG1-CD1 3.2Å; D1837-F1849 VanDerWaalsContact O-CD1 3.26Å; D1837-F1849 WeakPolarHBondContact O-CD1 3.35Å; D1837-F1849 WeakPolarHBondContact O-CE1 3.17Å; H1839-F1849 HydrophobicContact CB-CE1 4.17Å; H1839-F1849 HydrophobicContact CB-CZ 4.36Å; F1849-W1851 VanDerWaalsContact C-N 3.32Å; F1849-W1851 HydrophobicContact CB-CB 3.94Å; F1849-W1851 PolarHBondContact O-N 3Å |
| 1850 | N | 92.3 | Very high | 88.2 | Confident | 25 Ų | 25 | 28.3 Ų | 28.3 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.3 | 54.9 | -168.8 | -61.1 | -1.8 | 0 | 0 | 0 | 111.1 | V1800 W1801 R1988 E1998 | V1800-N1850 PolarHBondContact O-N 3.18Å; W1801-N1850 HydrophobicContact CE3-CB 4.49Å; W1801-N1850 HydrophobicContact CZ3-CB 4.47Å; W1801-N1850 PolarHBondContact O-N 3.29Å; N1850-R1988 WeakPolarHBondContact O-CG 3.32Å; N1850-E1998 WeakPolarHBondContact CB-O 3.46Å; N1850-E1998 PolarHBondContact ND2-O 3.4Å |
| 1851 | W | 94.2 | Very high | 87.8 | Confident | 48 Ų | 48 | 28 Ų | 28 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.9 | -165.4 | -167.4 | -78.8 | 0 | 0 | 0 | 112.6 | V1799 V1800 K1835 T1836 D1837 F1849 F1853 A1987 R1988 | V1799-W1851 WeakPolarHBondContact CA-O 3.49Å; V1800-W1851 PolarHBondContact N-O 2.92Å; V1800-W1851 PolarHBondContact O-N 3.06Å; K1835-W1851 PolarHBondContact O-NE1 3.42Å; K1835-W1851 VanDerWaalsContact O-NE1 3.14Å; T1836-W1851 HydrophobicContact CG2-CB 3.95Å; T1836-W1851 HydrophobicContact CG2-CG 3.9Å; D1837-W1851 HydrophobicContact CB-CE3 4.07Å; D1837-W1851 HydrophobicContact CB-CH2 4.06Å; D1837-W1851 HydrophobicContact CB-CZ3 3.51Å; F1849-W1851 VanDerWaalsContact C-N 3.32Å; F1849-W1851 HydrophobicContact CB-CB 3.94Å; F1849-W1851 PolarHBondContact O-N 3Å; W1851-F1853 AromaticContact CD1-CD1 3.63Å; W1851-F1853 AromaticContact CD1-CE1 3.39Å; W1851-F1853 AromaticContact NE1-CD1 3.83Å; W1851-F1853 AromaticContact NE1-CE1 3.56Å; W1851-A1987 HydrophobicContact CD2-CB 3.81Å; W1851-A1987 HydrophobicContact CE3-CB 4.18Å; W1851-A1987 HydrophobicContact CH2-CB 3.65Å; W1851-A1987 HydrophobicContact CZ2-CB 3.25Å; W1851-A1987 HydrophobicContact CZ3-CB 4.08Å; W1851-R1988 VanDerWaalsContact CZ3-NH2 3.33Å |
| 1852 | R | 95.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.3 | 179.5 | -156.9 | -178.2 | -56.8 | 139.6 | -9.2 | 112.5 | L1798 V1799 V1854 G1985 A1987 E1993 P1995 L1997 | L1798-R1852 CarbonylContact O-C 3.55Å; L1798-R1852 WeakPolarHBondContact O-CA 3.32Å; V1799-R1852 HydrophobicContact CG2-CG 4.2Å; R1852-V1854 HydrophobicContact CG-CG2 4.03Å; R1852-G1985 WeakPolarHBondContact CD-O 3.46Å; R1852-G1985 VanDerWaalsContact NH1-N 3.19Å; R1852-G1985 PolarHBondContact NH1-O 3.39Å; R1852-A1987 WeakPolarHBondContact CB-O 3.05Å; R1852-A1987 PolarHBondContact N-O 3.42Å; R1852-A1987 WeakPolarHBondContact O-CA 3.48Å; R1852-A1987 PolarHBondContact O-N 3.24Å; R1852-E1993 PolarHBondContact NH2-O 2.84Å; R1852-P1995 PolarHBondContact NH2-O 2.79Å; R1852-L1997 HydrophobicContact CB-CD1 3.81Å |
| 1853 | F | 95.6 | Very high | 87 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 146.6 | 156.2 | -54.6 | -26.6 | 0 | 0 | 0 | 110.1 | R1797 L1798 V1800 Q1834 K1835 T1836 W1851 F1855 L1890 | R1797-F1853 WeakPolarHBondContact CA-O 3.31Å; L1798-F1853 HydrophobicContact CB-CB 4.31Å; L1798-F1853 HydrophobicContact CD2-CD2 3.88Å; L1798-F1853 HydrophobicContact CD2-CE2 4.42Å; L1798-F1853 PolarHBondContact N-O 3.09Å; L1798-F1853 PolarHBondContact O-N 3.44Å; V1800-F1853 HydrophobicContact CG2-CE2 4.16Å; V1800-F1853 HydrophobicContact CG2-CZ 4.45Å; Q1834-F1853 HydrophobicContact CB-CB 4.37Å; Q1834-F1853 HydrophobicContact CB-CD1 3.67Å; Q1834-F1853 HydrophobicContact CB-CD2 4.48Å; Q1834-F1853 HydrophobicContact CB-CE1 4.04Å; Q1834-F1853 HydrophobicContact CB-CG 3.94Å; Q1834-F1853 VanDerWaalsContact OE1-CA 3.22Å; K1835-F1853 VanDerWaalsContact C-CE1 3.44Å; T1836-F1853 HydrophobicContact CG2-CE1 4.02Å; T1836-F1853 HydrophobicContact CG2-CZ 3.79Å; W1851-F1853 AromaticContact CD1-CD1 3.63Å; W1851-F1853 AromaticContact CD1-CE1 3.39Å; W1851-F1853 AromaticContact NE1-CD1 3.83Å; W1851-F1853 AromaticContact NE1-CE1 3.56Å; F1853-F1855 HydrophobicContact CB-CD2 4.28Å; F1853-F1855 HydrophobicContact CB-CE1 4.32Å; F1853-F1855 HydrophobicContact CB-CE2 3.5Å; F1853-F1855 VanDerWaalsContact CB-CE2 3.5Å; F1853-F1855 HydrophobicContact CB-CZ 3.52Å; F1853-F1855 HydrophobicContact CD2-CE2 4Å; F1853-F1855 AromaticContact CD2-CZ 3.72Å; F1853-F1855 HydrophobicContact CD2-CZ 3.72Å; F1853-F1855 HydrophobicContact CG-CE2 4.2Å; F1853-F1855 AromaticContact CG-CZ 3.9Å; F1853-F1855 HydrophobicContact CG-CZ 3.9Å; F1853-L1890 HydrophobicContact CE2-CD2 4.22Å |
| 1854 | V | 92.1 | Very high | 86.8 | Confident | 17 Ų | 17 | 26.1 Ų | 26.1 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 105.1 | -178.6 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | I1795 Q1834 R1852 P1856 K1986 | I1795-V1854 HydrophobicContact CG2-CG1 3.41Å; I1795-V1854 VanDerWaalsContact CG2-CG1 3.41Å; Q1834-V1854 PolarHBondContact NE2-O 3.39Å; R1852-V1854 HydrophobicContact CG-CG2 4.03Å; V1854-P1856 WeakPolarHBondContact O-CD 3.49Å; V1854-K1986 HydrophobicContact CB-CG 4.07Å; V1854-K1986 HydrophobicContact CG2-CG 4.18Å |
| 1855 | F | 92.5 | Very high | 86.9 | Confident | 6 Ų | 6 | 23.4 Ų | 23.4 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 104.2 | -177.5 | -53.4 | -70.3 | 0 | 0 | 0 | 110 | I1795 L1796 G1825 L1827 D1832 Q1834 F1853 L1888 | I1795-F1855 WeakPolarHBondContact CA-O 3.22Å; L1796-F1855 HydrophobicContact CB-CB 4.38Å; L1796-F1855 HydrophobicContact CD2-CD2 4.17Å; L1796-F1855 HydrophobicContact CG-CD2 4.39Å; L1796-F1855 PolarHBondContact N-O 2.89Å; L1796-F1855 PolarHBondContact O-N 3.27Å; G1825-F1855 WeakPolarHBondContact O-CE1 3.29Å; G1825-F1855 WeakPolarHBondContact O-CZ 3.09Å; L1827-F1855 HydrophobicContact CD1-CB 3.8Å; L1827-F1855 HydrophobicContact CG-CB 4.21Å; L1827-F1855 HydrophobicContact CG-CG 4.43Å; D1832-F1855 WeakPolarHBondContact O-CE1 3.2Å; Q1834-F1855 HydrophobicContact CB-CE1 4.05Å; Q1834-F1855 HydrophobicContact CB-CZ 4.28Å; Q1834-F1855 HydrophobicContact CG-CE1 3.82Å; Q1834-F1855 HydrophobicContact CG-CZ 4.49Å; F1853-F1855 HydrophobicContact CB-CD2 4.28Å; F1853-F1855 HydrophobicContact CB-CE1 4.32Å; F1853-F1855 HydrophobicContact CB-CE2 3.5Å; F1853-F1855 VanDerWaalsContact CB-CE2 3.5Å; F1853-F1855 HydrophobicContact CB-CZ 3.52Å; F1853-F1855 HydrophobicContact CD2-CE2 4Å; F1853-F1855 AromaticContact CD2-CZ 3.72Å; F1853-F1855 HydrophobicContact CD2-CZ 3.72Å; F1853-F1855 HydrophobicContact CG-CE2 4.2Å; F1853-F1855 AromaticContact CG-CZ 3.9Å; F1853-F1855 HydrophobicContact CG-CZ 3.9Å; F1855-L1888 HydrophobicContact CE2-CD1 4.11Å |
| 1856 | P | 89.7 | Confident | 86.9 | Confident | 72 Ų | 72 | 23.5 Ų | 23.5 | 47% | 0.468 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 139 | 169.1 | 32.1 | -32.9 | 0 | 0 | 0 | 110.6 | Y1794 I1795 V1854 | Y1794-P1856 WeakPolarHBondContact O-CA 3.2Å; I1795-P1856 HydrophobicContact CG1-CB 4.21Å; V1854-P1856 WeakPolarHBondContact O-CD 3.49Å |
| 1857 | F | 89.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 153.6 | 177.9 | 66.5 | -76 | 0 | 0 | 0 | 111.7 | Y1794 L1796 L1827 L1830 Y1859 I1866 F1942 L1973 | Y1794-F1857 PolarHBondContact N-O 3.38Å; Y1794-F1857 PolarHBondContact O-N 3.1Å; Y1794-F1857 VanDerWaalsContact O-O 3.06Å; L1796-F1857 HydrophobicContact CB-CE1 3.89Å; L1827-F1857 HydrophobicContact CD1-CB 4.13Å; L1827-F1857 HydrophobicContact CD1-CD1 3.61Å; L1827-F1857 HydrophobicContact CD1-CE1 4.09Å; L1827-F1857 HydrophobicContact CD1-CG 3.87Å; L1830-F1857 HydrophobicContact CD1-CB 3.74Å; F1857-Y1859 HydrophobicContact CE2-CD2 4.35Å; F1857-Y1859 HydrophobicContact CE2-CG 4.18Å; F1857-I1866 HydrophobicContact CB-CG2 4.25Å; F1857-I1866 HydrophobicContact CD2-CB 4.44Å; F1857-I1866 HydrophobicContact CD2-CD1 3.58Å; F1857-I1866 HydrophobicContact CD2-CG1 3.64Å; F1857-I1866 HydrophobicContact CD2-CG2 4.21Å; F1857-I1866 HydrophobicContact CE2-CD1 3.93Å; F1857-I1866 HydrophobicContact CE2-CG1 3.95Å; F1857-I1866 HydrophobicContact CG-CD1 4.21Å; F1857-F1942 HydrophobicContact CE2-CE1 4.03Å; F1857-F1942 HydrophobicContact CE2-CZ 4.04Å; F1857-F1942 AromaticContact CZ-CE1 3.97Å; F1857-F1942 HydrophobicContact CZ-CE1 3.97Å; F1857-F1942 HydrophobicContact CZ-CZ 4.1Å; F1857-L1973 HydrophobicContact CE1-CD1 3.71Å; F1857-L1973 HydrophobicContact CZ-CD1 3.65Å |
| 1858 | F | 87.7 | Confident | 86.1 | Confident | 64 Ų | 64 | 22 Ų | 22 | 28% | 0.281 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138.3 | 168.7 | -59.7 | -100.2 | 0 | 0 | 0 | 108.9 | P1791 N1792 E1793 I1866 V1867 | P1791-F1858 HydrophobicContact CB-CB 3.99Å; P1791-F1858 HydrophobicContact CG-CB 4.04Å; P1791-F1858 HydrophobicContact CG-CD1 4.38Å; N1792-F1858 CarbonylContact O-C 3.59Å; N1792-F1858 WeakPolarHBondContact O-CA 3.32Å; E1793-F1858 HydrophobicContact CG-CD1 3.42Å; E1793-F1858 VanDerWaalsContact CG-CD1 3.42Å; E1793-F1858 HydrophobicContact CG-CE1 3.17Å; E1793-F1858 HydrophobicContact CG-CE2 4.45Å; E1793-F1858 HydrophobicContact CG-CG 4.17Å; E1793-F1858 HydrophobicContact CG-CZ 3.74Å; F1858-I1866 CarbonylContact O-C 3.24Å; F1858-I1866 VanDerWaalsContact O-CA 3.27Å; F1858-I1866 WeakPolarHBondContact O-CA 3.36Å; F1858-I1866 WeakPolarHBondContact O-CG2 3.3Å; F1858-V1867 HydrophobicContact CB-CB 4.25Å; F1858-V1867 WeakPolarHBondContact CB-O 3.35Å; F1858-V1867 PolarHBondContact O-N 2.94Å |
| 1859 | Y | 85.4 | Confident | 85.4 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 2% | 0.024 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 138.1 | -179.3 | 177 | -109.5 | 0 | 0 | 0 | 111 | N1792 Y1794 F1857 P1861 N1864 N1865 I1866 P1886 F1942 | N1792-Y1859 PolarHBondContact N-O 3.09Å; N1792-Y1859 PolarHBondContact O-N 3.42Å; Y1794-Y1859 HydrophobicContact CD2-CD1 4.3Å; Y1794-Y1859 AromaticContact CE2-CD1 3.98Å; Y1794-Y1859 HydrophobicContact CE2-CD1 3.98Å; F1857-Y1859 HydrophobicContact CE2-CD2 4.35Å; F1857-Y1859 HydrophobicContact CE2-CG 4.18Å; Y1859-P1861 HydrophobicContact CD1-CB 4.34Å; Y1859-P1861 HydrophobicContact CD1-CG 3.84Å; Y1859-P1861 VanDerWaalsContact CE1-CA 3.47Å; Y1859-P1861 HydrophobicContact CE1-CB 3.86Å; Y1859-P1861 HydrophobicContact CE1-CG 3.86Å; Y1859-P1861 WeakPolarHBondContact O-CD 3.45Å; Y1859-N1864 PolarHBondContact OH-OD1 3.04Å; Y1859-N1865 VanDerWaalsContact CD2-C 3.47Å; Y1859-N1865 WeakPolarHBondContact CD2-O 3.1Å; Y1859-I1866 HydrophobicContact CD2-CG1 4.29Å; Y1859-P1886 HydrophobicContact CD2-CB 4.42Å; Y1859-P1886 HydrophobicContact CE2-CB 4.16Å; Y1859-P1886 HydrophobicContact CE2-CG 3.87Å; Y1859-F1942 AromaticContact CD1-CD1 3.5Å; Y1859-F1942 HydrophobicContact CD1-CD1 3.5Å; Y1859-F1942 AromaticContact CD1-CE1 3.24Å; Y1859-F1942 HydrophobicContact CD1-CE1 3.24Å; Y1859-F1942 HydrophobicContact CD1-CG 4.36Å; Y1859-F1942 AromaticContact CD1-CZ 3.9Å; Y1859-F1942 HydrophobicContact CD1-CZ 3.9Å; Y1859-F1942 AromaticContact CD2-CE1 3.91Å; Y1859-F1942 HydrophobicContact CD2-CE1 3.91Å; Y1859-F1942 HydrophobicContact CD2-CE2 4.49Å; Y1859-F1942 AromaticContact CD2-CZ 3.74Å; Y1859-F1942 HydrophobicContact CD2-CZ 3.74Å; Y1859-F1942 HydrophobicContact CE1-CB 4.44Å; Y1859-F1942 AromaticContact CE1-CD1 3.22Å; Y1859-F1942 HydrophobicContact CE1-CD1 3.22Å; Y1859-F1942 HydrophobicContact CE1-CD2 4.01Å; Y1859-F1942 AromaticContact CE1-CE1 3.29Å; Y1859-F1942 HydrophobicContact CE1-CE1 3.29Å; Y1859-F1942 HydrophobicContact CE1-CE2 4.05Å; Y1859-F1942 AromaticContact CE1-CG 3.63Å; Y1859-F1942 HydrophobicContact CE1-CG 3.63Å; Y1859-F1942 AromaticContact CE1-CZ 3.71Å; Y1859-F1942 HydrophobicContact CE1-CZ 3.71Å; Y1859-F1942 AromaticContact CE2-CE1 3.97Å; Y1859-F1942 HydrophobicContact CE2-CE1 3.97Å; Y1859-F1942 AromaticContact CE2-CE2 3.87Å; Y1859-F1942 HydrophobicContact CE2-CE2 3.87Å; Y1859-F1942 AromaticContact CE2-CZ 3.57Å; Y1859-F1942 HydrophobicContact CE2-CZ 3.57Å; Y1859-F1942 HydrophobicContact CG-CD1 4.29Å; Y1859-F1942 AromaticContact CG-CE1 3.56Å; Y1859-F1942 HydrophobicContact CG-CE1 3.56Å; Y1859-F1942 AromaticContact CG-CZ 3.9Å; Y1859-F1942 HydrophobicContact CG-CZ 3.9Å; Y1859-F1942 AromaticContact CZ-CD1 3.85Å; Y1859-F1942 AromaticContact CZ-CD2 3.81Å; Y1859-F1942 AromaticContact CZ-CE1 3.67Å; Y1859-F1942 AromaticContact CZ-CE2 3.61Å; Y1859-F1942 AromaticContact CZ-CG 3.93Å; Y1859-F1942 AromaticContact CZ-CZ 3.54Å |
| 1860 | L | 82.6 | Confident | 84.4 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 97.5 | 177.9 | -156.7 | 108.8 | 0 | 0 | 0 | 109.3 | R1789 P1791 A1862 E1863 N1864 N1865 V1867 | R1789-L1860 HydrophobicContact CB-CD1 3.76Å; R1789-L1860 HydrophobicContact CB-CD2 4.04Å; R1789-L1860 HydrophobicContact CB-CG 4.31Å; R1789-L1860 WeakPolarHBondContact O-CD1 3.19Å; P1791-L1860 HydrophobicContact CB-CB 4.33Å; P1791-L1860 HydrophobicContact CB-CD1 3.98Å; L1860-A1862 PolarHBondContact O-N 2.94Å; L1860-A1862 VanDerWaalsContact O-N 3.13Å; L1860-E1863 HydrophobicContact CD2-CB 3.65Å; L1860-E1863 HydrophobicContact CD2-CG 3.45Å; L1860-E1863 VanDerWaalsContact CD2-CG 3.45Å; L1860-E1863 VanDerWaalsContact CD2-OE1 3.25Å; L1860-E1863 WeakPolarHBondContact CD2-OE1 3.46Å; L1860-E1863 PolarHBondContact O-N 3.06Å; L1860-N1864 PolarHBondContact O-N 3.18Å; L1860-N1864 VanDerWaalsContact O-N 3.11Å; L1860-N1865 PolarHBondContact N-O 2.85Å; L1860-V1867 HydrophobicContact CB-CG2 4.3Å |
| 1861 | P | 74.2 | Confident | 83 | Confident | 48 Ų | 48 | 34 Ų | 34 | 31% | 0.312 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.3 | -171.2 | -22.8 | 33.5 | 0 | 0 | 0 | 114.3 | Y1859 | Y1859-P1861 HydrophobicContact CD1-CB 4.34Å; Y1859-P1861 HydrophobicContact CD1-CG 3.84Å; Y1859-P1861 VanDerWaalsContact CE1-CA 3.47Å; Y1859-P1861 HydrophobicContact CE1-CB 3.86Å; Y1859-P1861 HydrophobicContact CE1-CG 3.86Å; Y1859-P1861 WeakPolarHBondContact O-CD 3.45Å |
| 1862 | A | 72.4 | Confident | 81.3 | Confident | 16 Ų | 16 | 34.2 Ų | 34.2 | 13% | 0.132 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -15.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1466 L1468 L1860 | K1466-A1862 WeakPolarHBondContact CA-O 3.28Å; L1468-A1862 HydrophobicContact CD1-CB 4.17Å; L1468-A1862 HydrophobicContact CD2-CB 3.76Å; L1468-A1862 HydrophobicContact CG-CB 4.04Å; L1860-A1862 PolarHBondContact O-N 2.94Å; L1860-A1862 VanDerWaalsContact O-N 3.13Å |
| 1863 | E | 75.8 | Confident | 79.6 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 0.2 | 173.8 | -68.4 | 172.6 | -147.3 | 0 | 0 | 112.5 | K1466 L1860 N1865 R1883 | K1466-E1863 HydrophobicContact CB-CG 4.41Å; K1466-E1863 HydrophobicContact CD-CG 4.11Å; K1466-E1863 HydrophobicContact CG-CG 4.08Å; L1860-E1863 HydrophobicContact CD2-CB 3.65Å; L1860-E1863 HydrophobicContact CD2-CG 3.45Å; L1860-E1863 VanDerWaalsContact CD2-CG 3.45Å; L1860-E1863 VanDerWaalsContact CD2-OE1 3.25Å; L1860-E1863 WeakPolarHBondContact CD2-OE1 3.46Å; L1860-E1863 PolarHBondContact O-N 3.06Å; E1863-N1865 VanDerWaalsContact C-N 3.28Å; E1863-N1865 PolarHBondContact O-N 2.74Å; E1863-N1865 PolarHBondContact O-ND2 2.77Å; E1863-R1883 VanDerWaalsContact CD-NH1 3.35Å; E1863-R1883 IonicContact OE1-NH1 2.72Å; E1863-R1883 PolarHBondContact OE1-NH1 3.03Å; E1863-R1883 VanDerWaalsContact OE1-NH1 3.16Å; E1863-R1883 WeakPolarHBondContact OE2-CD 3.47Å; E1863-R1883 IonicContact OE2-CZ 2.61Å; E1863-R1883 IonicContact OE2-NE 2.89Å; E1863-R1883 IonicContact OE2-NH1 3.25Å; E1863-R1883 PolarHBondContact OE2-NH1 2.76Å |
| 1864 | N | 77.9 | Confident | 77.7 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 39.2 | -178 | -166.7 | 13.4 | 0 | 0 | 0 | 114.1 | Y1859 L1860 P1886 S1912 | Y1859-N1864 PolarHBondContact OH-OD1 3.04Å; L1860-N1864 PolarHBondContact O-N 3.18Å; L1860-N1864 VanDerWaalsContact O-N 3.11Å; N1864-P1886 WeakPolarHBondContact O-CD 3.47Å; N1864-S1912 WeakPolarHBondContact ND2-CB 3.4Å; N1864-S1912 PolarHBondContact ND2-OG 3.04Å; N1864-S1912 WeakPolarHBondContact OD1-CB 3.43Å; N1864-S1912 PolarHBondContact OD1-OG 3.03Å |
| 1865 | N | 83.1 | Confident | 75.8 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.2 | -178 | -71.9 | -42.3 | 0 | 0 | 0 | 112.3 | Y1859 L1860 E1863 R1883 V1884 | Y1859-N1865 VanDerWaalsContact CD2-C 3.47Å; Y1859-N1865 WeakPolarHBondContact CD2-O 3.1Å; L1860-N1865 PolarHBondContact N-O 2.85Å; E1863-N1865 VanDerWaalsContact C-N 3.28Å; E1863-N1865 PolarHBondContact O-N 2.74Å; E1863-N1865 PolarHBondContact O-ND2 2.77Å; N1865-R1883 HydrophobicContact CB-CB 4.16Å; N1865-V1884 CarbonylContact C-O 3.25Å; N1865-V1884 WeakPolarHBondContact CA-O 3.13Å |
| 1866 | I | 83.4 | Confident | 73.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 136.5 | 158.4 | -62 | -170.5 | 0 | 0 | 0 | 108.1 | L1827 F1857 F1858 Y1859 I1868 R1883 V1884 P1886 | L1827-I1866 HydrophobicContact CB-CD1 4.49Å; L1827-I1866 HydrophobicContact CD1-CD1 4.19Å; F1857-I1866 HydrophobicContact CB-CG2 4.25Å; F1857-I1866 HydrophobicContact CD2-CB 4.44Å; F1857-I1866 HydrophobicContact CD2-CD1 3.58Å; F1857-I1866 HydrophobicContact CD2-CG1 3.64Å; F1857-I1866 HydrophobicContact CD2-CG2 4.21Å; F1857-I1866 HydrophobicContact CE2-CD1 3.93Å; F1857-I1866 HydrophobicContact CE2-CG1 3.95Å; F1857-I1866 HydrophobicContact CG-CD1 4.21Å; F1858-I1866 CarbonylContact O-C 3.24Å; F1858-I1866 VanDerWaalsContact O-CA 3.27Å; F1858-I1866 WeakPolarHBondContact O-CA 3.36Å; F1858-I1866 WeakPolarHBondContact O-CG2 3.3Å; Y1859-I1866 HydrophobicContact CD2-CG1 4.29Å; I1866-I1868 HydrophobicContact CG2-CG1 3.91Å; I1866-R1883 WeakPolarHBondContact O-CA 3.35Å; I1866-V1884 HydrophobicContact CB-CG2 4.43Å; I1866-V1884 PolarHBondContact N-O 2.73Å; I1866-V1884 PolarHBondContact O-N 2.6Å; I1866-P1886 HydrophobicContact CD1-CB 3.97Å; I1866-P1886 HydrophobicContact CG1-CB 3.78Å |
| 1867 | V | 81.7 | Confident | 72.5 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.5 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | P1791 F1858 L1860 K1869 E1881 R1883 | P1791-V1867 HydrophobicContact CB-CB 4Å; P1791-V1867 HydrophobicContact CB-CG2 3.66Å; P1791-V1867 HydrophobicContact CG-CB 3.88Å; P1791-V1867 HydrophobicContact CG-CG1 4.15Å; P1791-V1867 HydrophobicContact CG-CG2 3.88Å; F1858-V1867 HydrophobicContact CB-CB 4.25Å; F1858-V1867 WeakPolarHBondContact CB-O 3.35Å; F1858-V1867 PolarHBondContact O-N 2.94Å; L1860-V1867 HydrophobicContact CB-CG2 4.3Å; V1867-K1869 HydrophobicContact CG1-CG 4.49Å; V1867-E1881 HydrophobicContact CG1-CB 4.3Å; V1867-R1883 HydrophobicContact CG2-CG 4.4Å |
| 1868 | I | 78.2 | Confident | 71.5 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 115.7 | -178.5 | -57.5 | 179.2 | 0 | 0 | 0 | 107.7 | G1829 L1830 I1866 R1870 E1881 Q1882 V1884 | G1829-I1868 VanDerWaalsContact C-CD1 3.46Å; G1829-I1868 WeakPolarHBondContact O-CD1 3.49Å; L1830-I1868 HydrophobicContact CD2-CD1 4.41Å; L1830-I1868 HydrophobicContact CD2-CG1 4.22Å; L1830-I1868 HydrophobicContact CD2-CG2 4.19Å; L1830-I1868 HydrophobicContact CG-CD1 4.35Å; I1866-I1868 HydrophobicContact CG2-CG1 3.91Å; I1868-R1870 HydrophobicContact CG2-CB 4.48Å; I1868-E1881 WeakPolarHBondContact O-CA 3.38Å; I1868-Q1882 HydrophobicContact CB-CB 4.46Å; I1868-Q1882 PolarHBondContact N-O 3.08Å; I1868-Q1882 PolarHBondContact O-N 2.71Å; I1868-V1884 HydrophobicContact CD1-CG2 3.43Å; I1868-V1884 VanDerWaalsContact CD1-CG2 3.43Å; I1868-V1884 HydrophobicContact CG1-CG2 4.06Å |
| 1869 | K | 76.6 | Confident | 70.6 | Confident | 93 Ų | 93 | 65.2 Ų | 65.2 | 40% | 0.404 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 112.6 | 176.3 | -53.5 | -158.2 | -174.6 | -145.1 | 0 | 108.8 | V1867 V1879 T1880 E1881 | V1867-K1869 HydrophobicContact CG1-CG 4.49Å; K1869-V1879 HydrophobicContact CB-CG1 3.74Å; K1869-T1880 WeakPolarHBondContact CA-O 3.37Å; K1869-E1881 HydrophobicContact CD-CG 4.5Å; K1869-E1881 WeakPolarHBondContact CD-OE1 3.45Å; K1869-E1881 WeakPolarHBondContact CE-OE1 3.42Å; K1869-E1881 HydrophobicContact CG-CG 4.22Å; K1869-E1881 IonicContact NZ-OE1 3.33Å; K1869-E1881 PolarHBondContact NZ-OE1 2.75Å |
| 1870 | R | 72.9 | Confident | 69.9 | Low | 122 Ų | 122 | 66.9 Ų | 66.9 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.4 | -173.2 | 173.2 | 171.2 | 178.6 | 152.4 | 4.2 | 111.8 | D1831 I1868 V1879 T1880 | D1831-R1870 IonicContact OD2-CZ 2.67Å; D1831-R1870 IonicContact OD2-NH1 3.08Å; D1831-R1870 PolarHBondContact OD2-NH1 3.11Å; I1868-R1870 HydrophobicContact CG2-CB 4.48Å; R1870-V1879 CarbonylContact O-C 3.51Å; R1870-V1879 WeakPolarHBondContact O-CA 3.26Å; R1870-T1880 PolarHBondContact N-O 2.81Å; R1870-T1880 PolarHBondContact O-N 2.85Å; R1870-T1880 PolarHBondContact O-OG1 3.33Å |
| 1871 | K | 62.4 | Low | 69.6 | Low | 93 Ų | 93 | 71.7 Ų | 71.7 | 40% | 0.404 | 34% | 0.339 | S | S | . | . | trans | -87.7 | 128.8 | 159.5 | -68.7 | 177.7 | 163.6 | -103.9 | 0 | 107.7 | H1873 S1876 M1877 D1878 V1879 | K1871-H1873 VanDerWaalsContact C-N 3.29Å; K1871-H1873 PolarHBondContact O-N 3.35Å; K1871-S1876 PolarHBondContact NZ-O 3.13Å; K1871-M1877 VanDerWaalsContact NZ-C 3.29Å; K1871-M1877 PolarHBondContact NZ-O 3.01Å; K1871-D1878 WeakPolarHBondContact CG-O 3.45Å; K1871-V1879 HydrophobicContact CG-CG2 3.98Å | ||
| 1872 | E | 57.9 | Low | 69.7 | Low | 53 Ų | 53 | 75.1 Ų | 75.1 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -52.3 | -51.1 | -177.9 | -80.6 | -150.5 | 122.2 | 0 | 0 | 111.7 | K199 | K199-E1872 WeakPolarHBondContact CE-OE1 3.37Å; K199-E1872 WeakPolarHBondContact CE-OE2 3.3Å; K199-E1872 IonicContact NZ-OE1 3.48Å; K199-E1872 IonicContact NZ-OE2 3.86Å; K199-E1872 PolarHBondContact NZ-OE2 3.3Å |
| 1873 | H | 59.4 | Low | 70.1 | Confident | 112 Ų | 112 | 78.7 Ų | 78.7 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -133.1 | 165.5 | -178.1 | -54.1 | -56.6 | 0 | 0 | 0 | 110.5 | K199 K1871 W1875 S1876 | K199-H1873 WeakPolarHBondContact CD-NE2 3.2Å; K199-H1873 WeakPolarHBondContact CE-NE2 3.28Å; K199-H1873 PolarHBondContact NZ-NE2 3.06Å; K1871-H1873 VanDerWaalsContact C-N 3.29Å; K1871-H1873 PolarHBondContact O-N 3.35Å; H1873-W1875 PolarHBondContact O-N 3.1Å; H1873-S1876 WeakPolarHBondContact O-CB 3.21Å; H1873-S1876 PolarHBondContact O-N 3.25Å |
| 1874 | F | 55.8 | Low | 70.3 | Confident | 185 Ų | 185 | 80 Ų | 80 | 81% | 0.811 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.6 | -179.4 | -163.8 | -94.8 | 0 | 0 | 0 | 114.3 | ||
| 1875 | W | 52.7 | Low | 70.6 | Confident | 228 Ų | 228 | 85.4 Ų | 85.4 | 86% | 0.864 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -6.3 | 179.8 | -51.8 | 112.8 | 0 | 0 | 0 | 114.5 | H1873 M1877 | H1873-W1875 PolarHBondContact O-N 3.1Å; W1875-M1877 PolarHBondContact O-N 3.11Å |
| 1876 | S | 52.2 | Low | 70.7 | Confident | 35 Ų | 35 | 84 Ų | 84 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | trans | -65.5 | 124.7 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | K1871 H1873 D1878 | K1871-S1876 PolarHBondContact NZ-O 3.13Å; H1873-S1876 WeakPolarHBondContact O-CB 3.21Å; H1873-S1876 PolarHBondContact O-N 3.25Å; S1876-D1878 PolarHBondContact OG-O 3.11Å | ||
| 1877 | M | 60 | Low | 71 | Confident | 141 Ų | 141 | 86.8 Ų | 86.8 | 70% | 0.695 | 39% | 0.392 | S | S | * | . | trans | -69.4 | -39.4 | 180 | -82 | 179.8 | 45.3 | 0 | 0 | 111.8 | K1871 W1875 | K1871-M1877 VanDerWaalsContact NZ-C 3.29Å; K1871-M1877 PolarHBondContact NZ-O 3.01Å; W1875-M1877 PolarHBondContact O-N 3.11Å | ||
| 1878 | D | 69.3 | Low | 71.6 | Confident | 47 Ų | 47 | 86.7 Ų | 86.7 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -100.5 | 159.8 | -170.2 | -60.9 | -43.7 | 0 | 0 | 0 | 113.7 | Y1594 P1596 K1871 S1876 | Y1594-D1878 PolarHBondContact OH-OD1 3.39Å; Y1594-D1878 PolarHBondContact OH-OD2 2.84Å; P1596-D1878 HydrophobicContact CB-CB 3.97Å; P1596-D1878 HydrophobicContact CG-CB 4.09Å; K1871-D1878 WeakPolarHBondContact CG-O 3.45Å; S1876-D1878 PolarHBondContact OG-O 3.11Å |
| 1879 | V | 69.7 | Low | 72.4 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 42% | 0.424 | 39% | 0.39 | S | S | . | . | trans | -110.2 | 112.5 | -179.7 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | K1869 R1870 K1871 | K1869-V1879 HydrophobicContact CB-CG1 3.74Å; R1870-V1879 CarbonylContact O-C 3.51Å; R1870-V1879 WeakPolarHBondContact O-CA 3.26Å; K1871-V1879 HydrophobicContact CG-CG2 3.98Å | ||
| 1880 | T | 70.8 | Confident | 73.3 | Confident | 42 Ų | 42 | 82 Ų | 82 | 26% | 0.258 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 152.1 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | N1597 K1869 R1870 | N1597-T1880 HydrophobicContact CB-CG2 4.01Å; K1869-T1880 WeakPolarHBondContact CA-O 3.37Å; R1870-T1880 PolarHBondContact N-O 2.81Å; R1870-T1880 PolarHBondContact O-N 2.85Å; R1870-T1880 PolarHBondContact O-OG1 3.33Å |
| 1881 | E | 74.7 | Confident | 74.3 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.9 | 179.5 | -59.8 | -157.8 | 172.7 | 0 | 0 | 111.6 | V1867 I1868 K1869 | V1867-E1881 HydrophobicContact CG1-CB 4.3Å; I1868-E1881 WeakPolarHBondContact O-CA 3.38Å; K1869-E1881 HydrophobicContact CD-CG 4.5Å; K1869-E1881 WeakPolarHBondContact CD-OE1 3.45Å; K1869-E1881 WeakPolarHBondContact CE-OE1 3.42Å; K1869-E1881 HydrophobicContact CG-CG 4.22Å; K1869-E1881 IonicContact NZ-OE1 3.33Å; K1869-E1881 PolarHBondContact NZ-OE1 2.75Å |
| 1882 | Q | 76.7 | Confident | 75.8 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.4 | 175 | -168 | -179.9 | 21.5 | 0 | 0 | 110.6 | I1868 | I1868-Q1882 HydrophobicContact CB-CB 4.46Å; I1868-Q1882 PolarHBondContact N-O 3.08Å; I1868-Q1882 PolarHBondContact O-N 2.71Å |
| 1883 | R | 80.2 | Confident | 77.5 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.6 | 175.5 | -55.3 | -169.2 | -168.2 | 156.8 | 16.3 | 110.3 | E1602 E1863 N1865 I1866 V1867 | E1602-R1883 IonicContact OE2-CZ 2.66Å; E1602-R1883 IonicContact OE2-NH1 2.68Å; E1602-R1883 PolarHBondContact OE2-NH1 3.31Å; E1602-R1883 VanDerWaalsContact OE2-NH1 3.1Å; E1602-R1883 IonicContact OE2-NH2 3.25Å; E1602-R1883 PolarHBondContact OE2-NH2 2.54Å; E1863-R1883 VanDerWaalsContact CD-NH1 3.35Å; E1863-R1883 IonicContact OE1-NH1 2.72Å; E1863-R1883 PolarHBondContact OE1-NH1 3.03Å; E1863-R1883 VanDerWaalsContact OE1-NH1 3.16Å; E1863-R1883 WeakPolarHBondContact OE2-CD 3.47Å; E1863-R1883 IonicContact OE2-CZ 2.61Å; E1863-R1883 IonicContact OE2-NE 2.89Å; E1863-R1883 IonicContact OE2-NH1 3.25Å; E1863-R1883 PolarHBondContact OE2-NH1 2.76Å; N1865-R1883 HydrophobicContact CB-CB 4.16Å; I1866-R1883 WeakPolarHBondContact O-CA 3.35Å; V1867-R1883 HydrophobicContact CG2-CG 4.4Å |
| 1884 | V | 81.6 | Confident | 78.9 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.4 | 179.2 | -84.7 | 0 | 0 | 0 | 0 | 111.8 | N1865 I1866 I1868 | N1865-V1884 CarbonylContact C-O 3.25Å; N1865-V1884 WeakPolarHBondContact CA-O 3.13Å; I1866-V1884 HydrophobicContact CB-CG2 4.43Å; I1866-V1884 PolarHBondContact N-O 2.73Å; I1866-V1884 PolarHBondContact O-N 2.6Å; I1868-V1884 HydrophobicContact CD1-CG2 3.43Å; I1868-V1884 VanDerWaalsContact CD1-CG2 3.43Å; I1868-V1884 HydrophobicContact CG1-CG2 4.06Å |
| 1885 | R | 82.8 | Confident | 80.3 | Confident | 172 Ų | 172 | 60.4 Ų | 60.4 | 65% | 0.649 | 28% | 0.278 | S | S | * | . | trans | -64.9 | 145.9 | -179.4 | -67.4 | 179.1 | 177.5 | 176.4 | -0.9 | 111.9 | Q1887 | R1885-Q1887 VanDerWaalsContact C-N 3.32Å; R1885-Q1887 PolarHBondContact O-N 3.36Å | ||
| 1886 | P | 86 | Confident | 81.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -74.3 | 79.2 | -178.8 | 32.5 | -38.5 | 0 | 0 | 0 | 111.8 | Y1859 N1864 I1866 N1910 L1911 F1942 | Y1859-P1886 HydrophobicContact CD2-CB 4.42Å; Y1859-P1886 HydrophobicContact CE2-CB 4.16Å; Y1859-P1886 HydrophobicContact CE2-CG 3.87Å; N1864-P1886 WeakPolarHBondContact O-CD 3.47Å; I1866-P1886 HydrophobicContact CD1-CB 3.97Å; I1866-P1886 HydrophobicContact CG1-CB 3.78Å; P1886-N1910 CarbonylContact O-C 2.99Å; P1886-N1910 PolarHBondContact O-OD1 3.46Å; P1886-L1911 HydrophobicContact CB-CB 4.23Å; P1886-L1911 HydrophobicContact CB-CD1 4.38Å; P1886-L1911 WeakPolarHBondContact O-CB 3.35Å; P1886-L1911 WeakPolarHBondContact O-CG 3.37Å; P1886-L1911 PolarHBondContact O-N 3.21Å; P1886-F1942 HydrophobicContact CB-CE2 3.92Å; P1886-F1942 HydrophobicContact CB-CZ 3.84Å; P1886-F1942 HydrophobicContact CG-CE2 3.84Å; P1886-F1942 HydrophobicContact CG-CZ 4.21Å | ||
| 1887 | Q | 90.2 | Very high | 82.6 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 28% | 0.28 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 115.2 | -174.5 | -174.5 | 165.3 | -11.5 | 0 | 0 | 110.8 | L1827 A1828 R1885 E1908 L1909 | L1827-Q1887 CarbonylContact C-O 3.5Å; L1827-Q1887 WeakPolarHBondContact CA-O 3.31Å; A1828-Q1887 HydrophobicContact CB-CB 3.94Å; A1828-Q1887 HydrophobicContact CB-CG 4.47Å; A1828-Q1887 PolarHBondContact N-O 2.69Å; R1885-Q1887 VanDerWaalsContact C-N 3.32Å; R1885-Q1887 PolarHBondContact O-N 3.36Å; Q1887-E1908 PolarHBondContact NE2-OE2 2.85Å; Q1887-L1909 CarbonylContact C-O 3.52Å; Q1887-L1909 WeakPolarHBondContact CA-O 3.21Å |
| 1888 | L | 93.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.8 | 173 | 174.7 | 70.2 | 0 | 0 | 0 | 109.4 | L1796 L1798 L1827 F1855 L1890 E1908 L1909 L1911 M1971 | L1796-L1888 HydrophobicContact CD2-CD1 4.05Å; L1796-L1888 HydrophobicContact CD2-CD2 4.29Å; L1798-L1888 HydrophobicContact CD2-CD2 4.5Å; L1827-L1888 HydrophobicContact CD2-CB 4.05Å; L1827-L1888 HydrophobicContact CD2-CD1 4.13Å; F1855-L1888 HydrophobicContact CE2-CD1 4.11Å; L1888-L1890 HydrophobicContact CD2-CD1 4Å; L1888-L1890 HydrophobicContact CD2-CG 4.38Å; L1888-L1890 HydrophobicContact CG-CD1 4.34Å; L1888-L1890 HydrophobicContact CG-CG 4.21Å; L1888-E1908 CarbonylContact O-C 3.53Å; L1888-E1908 WeakPolarHBondContact O-CA 3.48Å; L1888-L1909 PolarHBondContact N-O 3.16Å; L1888-L1909 PolarHBondContact O-N 2.85Å; L1888-L1911 HydrophobicContact CB-CD2 3.77Å; L1888-L1911 HydrophobicContact CB-CG 4.3Å; L1888-L1911 HydrophobicContact CD2-CD2 4.27Å; L1888-M1971 HydrophobicContact CD2-SD 3.78Å |
| 1889 | V | 94.2 | Very high | 83.3 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.3 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | G1825 W1826 E1908 | G1825-V1889 VanDerWaalsContact CA-O 3.27Å; G1825-V1889 WeakPolarHBondContact CA-O 3.37Å; W1826-V1889 HydrophobicContact CD2-CB 4.15Å; W1826-V1889 HydrophobicContact CD2-CG1 4.45Å; W1826-V1889 HydrophobicContact CH2-CB 4.46Å; W1826-V1889 HydrophobicContact CH2-CG1 3.73Å; W1826-V1889 HydrophobicContact CZ2-CB 3.93Å; W1826-V1889 HydrophobicContact CZ2-CG1 3.46Å; W1826-V1889 VanDerWaalsContact CZ2-CG1 3.46Å; W1826-V1889 HydrophobicContact CZ3-CG1 4.32Å; W1826-V1889 PolarHBondContact N-O 3.49Å; W1826-V1889 PolarHBondContact O-N 3.41Å; V1889-E1908 HydrophobicContact CG1-CG 4.25Å; V1889-E1908 HydrophobicContact CG2-CG 4.21Å |
| 1890 | L | 96.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.9 | 176.8 | -69.1 | 164.5 | 0 | 0 | 0 | 109.4 | L1798 V1823 K1824 F1853 L1888 T1906 L1907 F1953 M1969 | L1798-L1890 HydrophobicContact CD2-CD1 4.03Å; L1798-L1890 HydrophobicContact CD2-CD2 3.54Å; L1798-L1890 HydrophobicContact CD2-CG 4.37Å; V1823-L1890 HydrophobicContact CG1-CD2 4.38Å; K1824-L1890 CarbonylContact O-C 3.55Å; K1824-L1890 WeakPolarHBondContact O-CA 3.2Å; F1853-L1890 HydrophobicContact CE2-CD2 4.22Å; L1888-L1890 HydrophobicContact CD2-CD1 4Å; L1888-L1890 HydrophobicContact CD2-CG 4.38Å; L1888-L1890 HydrophobicContact CG-CD1 4.34Å; L1888-L1890 HydrophobicContact CG-CG 4.21Å; L1890-T1906 CarbonylContact O-C 3.46Å; L1890-T1906 VanDerWaalsContact O-CA 3.3Å; L1890-T1906 WeakPolarHBondContact O-CA 3.49Å; L1890-T1906 PolarHBondContact O-OG1 2.66Å; L1890-L1907 HydrophobicContact CB-CB 4.33Å; L1890-L1907 HydrophobicContact CD1-CD2 4.23Å; L1890-L1907 PolarHBondContact N-O 3.2Å; L1890-L1907 PolarHBondContact O-N 3.07Å; L1890-F1953 HydrophobicContact CB-CE1 3.97Å; L1890-F1953 HydrophobicContact CB-CZ 4.38Å; L1890-M1969 HydrophobicContact CD1-CE 3.7Å; L1890-M1969 HydrophobicContact CD1-SD 3.42Å; L1890-M1969 WeakPolarHBondContact CD1-SD 3.36Å |
| 1891 | Q | 94.5 | Very high | 84.3 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.6 | 177.1 | -62.3 | -178.3 | -30.8 | 0 | 0 | 111.6 | V1823 K1824 W1826 W1893 F1903 G1905 | V1823-Q1891 CarbonylContact C-O 3.38Å; V1823-Q1891 VanDerWaalsContact CA-O 3.27Å; V1823-Q1891 WeakPolarHBondContact CA-O 3.12Å; V1823-Q1891 WeakPolarHBondContact CG1-O 3.5Å; K1824-Q1891 HydrophobicContact CB-CB 4.5Å; K1824-Q1891 PolarHBondContact N-O 2.78Å; K1824-Q1891 PolarHBondContact O-N 2.77Å; W1826-Q1891 HydrophobicContact CH2-CG 4.09Å; W1826-Q1891 HydrophobicContact CZ3-CG 4.24Å; Q1891-W1893 VanDerWaalsContact CB-NE1 3.27Å; Q1891-F1903 HydrophobicContact CB-CE2 4.26Å; Q1891-F1903 HydrophobicContact CG-CE2 4.13Å; Q1891-G1905 CarbonylContact C-O 3.55Å; Q1891-G1905 WeakPolarHBondContact CA-O 3.48Å |
| 1892 | V | 93.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.2 | 171.9 | 56.2 | 0 | 0 | 0 | 0 | 110 | V1806 I1821 Y1822 I1904 G1905 F1953 | V1806-V1892 HydrophobicContact CG1-CG2 4.03Å; V1806-V1892 HydrophobicContact CG2-CG2 4.47Å; I1821-V1892 HydrophobicContact CG2-CG2 3.61Å; Y1822-V1892 WeakPolarHBondContact O-CA 3.46Å; V1892-I1904 HydrophobicContact CG1-CB 4.04Å; V1892-I1904 HydrophobicContact CG1-CG2 4.15Å; V1892-I1904 HydrophobicContact CG2-CD1 4.46Å; V1892-I1904 PolarHBondContact O-N 2.82Å; V1892-G1905 PolarHBondContact N-O 2.76Å; V1892-G1905 PolarHBondContact O-N 2.95Å; V1892-F1953 HydrophobicContact CB-CD2 3.85Å; V1892-F1953 HydrophobicContact CB-CE1 4.45Å; V1892-F1953 HydrophobicContact CB-CE2 3.62Å; V1892-F1953 HydrophobicContact CB-CG 4.34Å; V1892-F1953 HydrophobicContact CB-CZ 3.96Å; V1892-F1953 HydrophobicContact CG1-CB 3.96Å; V1892-F1953 HydrophobicContact CG1-CD1 4.01Å; V1892-F1953 HydrophobicContact CG1-CD2 3.39Å; V1892-F1953 HydrophobicContact CG1-CE1 4.33Å; V1892-F1953 HydrophobicContact CG1-CE2 3.73Å; V1892-F1953 HydrophobicContact CG1-CG 3.54Å; V1892-F1953 HydrophobicContact CG1-CZ 4.2Å; V1892-F1953 HydrophobicContact CG2-CE2 4.48Å |
| 1893 | W | 92.8 | Very high | 85.4 | Confident | 48 Ų | 48 | 54.2 Ų | 54.2 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 149.8 | -171.9 | -68 | 76.4 | 0 | 0 | 0 | 110.4 | I1821 Y1822 K1824 Q1891 D1901 D1902 F1903 | I1821-W1893 WeakPolarHBondContact CA-O 2.85Å; Y1822-W1893 HydrophobicContact CD1-CB 3.94Å; Y1822-W1893 HydrophobicContact CE1-CB 3.51Å; Y1822-W1893 HydrophobicContact CE1-CG 4.44Å; Y1822-W1893 HydrophobicContact CE2-CB 4.37Å; Y1822-W1893 PolarHBondContact N-O 3.37Å; Y1822-W1893 PolarHBondContact O-N 2.62Å; K1824-W1893 HydrophobicContact CD-CG 4.44Å; Q1891-W1893 VanDerWaalsContact CB-NE1 3.27Å; W1893-D1901 HydrophobicContact CE3-CB 3.91Å; W1893-D1901 VanDerWaalsContact CE3-O 3.25Å; W1893-D1901 WeakPolarHBondContact CZ3-O 3.48Å; W1893-D1902 CarbonylContact C-O 3.58Å; W1893-D1902 VanDerWaalsContact CA-O 3.28Å; W1893-D1902 WeakPolarHBondContact CA-O 3.42Å; W1893-F1903 HydrophobicContact CD2-CB 4.33Å; W1893-F1903 HydrophobicContact CD2-CD2 4.39Å; W1893-F1903 AromaticContact CE2-CD2 3.84Å; W1893-F1903 HydrophobicContact CE3-CB 4.03Å; W1893-F1903 HydrophobicContact CH2-CB 3.91Å; W1893-F1903 HydrophobicContact CH2-CD2 4.39Å; W1893-F1903 HydrophobicContact CZ2-CB 4.21Å; W1893-F1903 AromaticContact CZ2-CD2 3.85Å; W1893-F1903 HydrophobicContact CZ2-CD2 3.85Å; W1893-F1903 HydrophobicContact CZ2-CG 4.44Å; W1893-F1903 HydrophobicContact CZ3-CB 3.81Å |
| 1894 | D | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -83 | 151.5 | 162.7 | -144.6 | -28.3 | 0 | 0 | 0 | 109.3 | S1819 D1820 D1901 D1902 I1904 | S1819-D1894 WeakPolarHBondContact CA-OD1 3.33Å; S1819-D1894 WeakPolarHBondContact CA-OD2 3.35Å; S1819-D1894 WeakPolarHBondContact CB-OD2 3.29Å; S1819-D1894 PolarHBondContact OG-OD2 3.09Å; D1820-D1894 WeakPolarHBondContact CA-OD1 3.2Å; D1820-D1894 PolarHBondContact N-OD1 3.11Å; D1894-D1901 WeakPolarHBondContact O-CA 3.13Å; D1894-D1901 WeakPolarHBondContact O-CB 3.35Å; D1894-D1902 HydrophobicContact CB-CB 4.16Å; D1894-D1902 PolarHBondContact N-O 3.47Å; D1894-I1904 HydrophobicContact CB-CD1 4.05Å; D1894-I1904 HydrophobicContact CB-CG1 4.5Å | ||
| 1895 | N | 84.4 | Confident | 86.1 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | trans | -111.5 | 93.2 | 179.1 | 177 | -135.9 | 0 | 0 | 0 | 112.2 | D1820 Y1822 V1838 Y1840 D1901 | D1820-N1895 HydrophobicContact CB-CB 4Å; D1820-N1895 WeakPolarHBondContact O-CB 3.5Å; D1820-N1895 PolarHBondContact O-N 3.41Å; Y1822-N1895 HydrophobicContact CD1-CB 3.91Å; Y1822-N1895 HydrophobicContact CE1-CB 4.04Å; V1838-N1895 HydrophobicContact CG1-CB 3.8Å; V1838-N1895 HydrophobicContact CG2-CB 3.99Å; Y1840-N1895 PolarHBondContact OH-OD1 2.81Å; Y1840-N1895 VanDerWaalsContact OH-OD1 3.11Å; N1895-D1901 WeakPolarHBondContact CA-OD1 3.2Å; N1895-D1901 PolarHBondContact ND2-OD1 3.43Å | ||
| 1896 | D | 82.7 | Confident | 86.6 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | trans | -71.8 | 133.6 | 174.7 | -79.1 | -99.3 | 0 | 0 | 0 | 112.8 | S1899 D1901 D1902 | D1896-S1899 WeakPolarHBondContact CB-O 3.49Å; D1896-S1899 VanDerWaalsContact CG-CB 3.5Å; D1896-S1899 WeakPolarHBondContact OD1-CB 3.49Å; D1896-S1899 PolarHBondContact OD1-OG 2.81Å; D1896-D1901 PolarHBondContact N-OD1 3.19Å; D1896-D1902 PolarHBondContact OD2-N 3.24Å | ||
| 1897 | L | 70 | Confident | 87 | Confident | 79 Ų | 79 | 41.9 Ų | 41.9 | 41% | 0.414 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -81.1 | -25.2 | 177.4 | -170.7 | 61.8 | 0 | 0 | 0 | 113.2 | L2008 | L1897-L2008 HydrophobicContact CD1-CD1 4.33Å; L1897-L2008 HydrophobicContact CD1-CD2 4.1Å; L1897-L2008 HydrophobicContact CD2-CD1 4.49Å; L1897-L2008 HydrophobicContact CD2-CD2 4.38Å |
| 1898 | F | 72.3 | Confident | 87 | Confident | 190 Ų | 190 | 43.8 Ų | 43.8 | 83% | 0.833 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -133 | -2.8 | -174.8 | -58.8 | -67.6 | 0 | 0 | 0 | 114.2 | ||
| 1899 | S | 72.8 | Confident | 86.9 | Confident | 62 Ų | 62 | 43.9 Ų | 43.9 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -112.9 | 167.8 | 175.8 | -20.3 | 0 | 0 | 0 | 0 | 109.1 | D1896 | D1896-S1899 WeakPolarHBondContact CB-O 3.49Å; D1896-S1899 VanDerWaalsContact CG-CB 3.5Å; D1896-S1899 WeakPolarHBondContact OD1-CB 3.49Å; D1896-S1899 PolarHBondContact OD1-OG 2.81Å |
| 1900 | P | 78.2 | Confident | 86.6 | Confident | 116 Ų | 116 | 45.4 Ų | 45.4 | 75% | 0.753 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -61.6 | 136.8 | 156.1 | -13.5 | 29.7 | 0 | 0 | 0 | 109.4 | D1902 | P1900-D1902 PolarHBondContact O-N 3.42Š|
| 1901 | D | 82.9 | Confident | 86.2 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -48.2 | 127.8 | 172.9 | -66.4 | -26.3 | 0 | 0 | 0 | 111.9 | Y1822 W1893 D1894 N1895 D1896 | Y1822-D1901 HydrophobicContact CE1-CB 4.32Å; Y1822-D1901 PolarHBondContact OH-OD2 2.79Å; W1893-D1901 HydrophobicContact CE3-CB 3.91Å; W1893-D1901 VanDerWaalsContact CE3-O 3.25Å; W1893-D1901 WeakPolarHBondContact CZ3-O 3.48Å; D1894-D1901 WeakPolarHBondContact O-CA 3.13Å; D1894-D1901 WeakPolarHBondContact O-CB 3.35Å; N1895-D1901 WeakPolarHBondContact CA-OD1 3.2Å; N1895-D1901 PolarHBondContact ND2-OD1 3.43Å; D1896-D1901 PolarHBondContact N-OD1 3.19Å |
| 1902 | D | 85.3 | Confident | 85.6 | Confident | 90 Ų | 90 | 44.1 Ų | 44.1 | 48% | 0.481 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -75.3 | 138.8 | 176.8 | -83.9 | -25 | 0 | 0 | 0 | 113 | W1893 D1894 D1896 P1900 | W1893-D1902 CarbonylContact C-O 3.58Å; W1893-D1902 VanDerWaalsContact CA-O 3.28Å; W1893-D1902 WeakPolarHBondContact CA-O 3.42Å; D1894-D1902 HydrophobicContact CB-CB 4.16Å; D1894-D1902 PolarHBondContact N-O 3.47Å; D1896-D1902 PolarHBondContact OD2-N 3.24Å; P1900-D1902 PolarHBondContact O-N 3.42Å |
| 1903 | F | 88.4 | Confident | 85.1 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 25% | 0.25 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.9 | 177.8 | 168.9 | -105.4 | 0 | 0 | 0 | 110.9 | Q1891 W1893 G1905 T1906 N1955 | Q1891-F1903 HydrophobicContact CB-CE2 4.26Å; Q1891-F1903 HydrophobicContact CG-CE2 4.13Å; W1893-F1903 HydrophobicContact CD2-CB 4.33Å; W1893-F1903 HydrophobicContact CD2-CD2 4.39Å; W1893-F1903 AromaticContact CE2-CD2 3.84Å; W1893-F1903 HydrophobicContact CE3-CB 4.03Å; W1893-F1903 HydrophobicContact CH2-CB 3.91Å; W1893-F1903 HydrophobicContact CH2-CD2 4.39Å; W1893-F1903 HydrophobicContact CZ2-CB 4.21Å; W1893-F1903 AromaticContact CZ2-CD2 3.85Å; W1893-F1903 HydrophobicContact CZ2-CD2 3.85Å; W1893-F1903 HydrophobicContact CZ2-CG 4.44Å; W1893-F1903 HydrophobicContact CZ3-CB 3.81Å; F1903-G1905 VanDerWaalsContact CE2-O 3.29Å; F1903-G1905 WeakPolarHBondContact CE2-O 3.27Å; F1903-G1905 VanDerWaalsContact CZ-CA 3.45Å; F1903-T1906 HydrophobicContact CZ-CG2 4.33Å; F1903-N1955 HydrophobicContact CE1-CB 4.4Å |
| 1904 | I | 86.3 | Confident | 84.8 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -38.6 | -178.2 | -58.3 | 171.3 | 0 | 0 | 0 | 111.3 | V1806 V1807 V1892 D1894 T1964 | V1806-I1904 HydrophobicContact CG1-CD1 3.83Å; V1806-I1904 HydrophobicContact CG1-CG2 3.91Å; V1807-I1904 HydrophobicContact CB-CG2 4.26Å; V1892-I1904 HydrophobicContact CG1-CB 4.04Å; V1892-I1904 HydrophobicContact CG1-CG2 4.15Å; V1892-I1904 HydrophobicContact CG2-CD1 4.46Å; V1892-I1904 PolarHBondContact O-N 2.82Å; D1894-I1904 HydrophobicContact CB-CD1 4.05Å; D1894-I1904 HydrophobicContact CB-CG1 4.5Å; I1904-T1964 WeakPolarHBondContact O-CB 3.14Å; I1904-T1964 WeakPolarHBondContact O-CG2 3.44Å; I1904-T1964 PolarHBondContact O-OG1 3.16Å |
| 1905 | G | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | 166.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q1891 V1892 F1903 V1954 T1964 | Q1891-G1905 CarbonylContact C-O 3.55Å; Q1891-G1905 WeakPolarHBondContact CA-O 3.48Å; V1892-G1905 PolarHBondContact N-O 2.76Å; V1892-G1905 PolarHBondContact O-N 2.95Å; F1903-G1905 VanDerWaalsContact CE2-O 3.29Å; F1903-G1905 WeakPolarHBondContact CE2-O 3.27Å; F1903-G1905 VanDerWaalsContact CZ-CA 3.45Å; G1905-V1954 CarbonylContact C-O 3.55Å; G1905-V1954 WeakPolarHBondContact CA-O 3.26Å; G1905-T1964 WeakPolarHBondContact CA-OG1 3.11Å |
| 1906 | T | 94 | Very high | 84.6 | Confident | 37 Ų | 37 | 47 Ų | 47 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 158.2 | -177.7 | -165.2 | 0 | 0 | 0 | 0 | 112.4 | L1890 F1903 V1954 | L1890-T1906 CarbonylContact O-C 3.46Å; L1890-T1906 VanDerWaalsContact O-CA 3.3Å; L1890-T1906 WeakPolarHBondContact O-CA 3.49Å; L1890-T1906 PolarHBondContact O-OG1 2.66Å; F1903-T1906 HydrophobicContact CZ-CG2 4.33Å; T1906-V1954 PolarHBondContact N-O 2.9Å; T1906-V1954 PolarHBondContact O-N 2.94Å |
| 1907 | L | 93.9 | Very high | 84.9 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 120.3 | 176.7 | 166.4 | 61.5 | 0 | 0 | 0 | 107.9 | L1890 L1909 L1929 W1951 F1953 I1967 M1969 | L1890-L1907 HydrophobicContact CB-CB 4.33Å; L1890-L1907 HydrophobicContact CD1-CD2 4.23Å; L1890-L1907 PolarHBondContact N-O 3.2Å; L1890-L1907 PolarHBondContact O-N 3.07Å; L1907-L1909 HydrophobicContact CD1-CD1 4.43Å; L1907-L1909 HydrophobicContact CD1-CD2 3.89Å; L1907-L1909 HydrophobicContact CD1-CG 3.91Å; L1907-L1909 HydrophobicContact CD2-CD1 4.24Å; L1907-L1909 HydrophobicContact CG-CD1 4.34Å; L1907-L1909 HydrophobicContact CG-CG 4.11Å; L1907-L1929 HydrophobicContact CD1-CD1 4.34Å; L1907-L1929 HydrophobicContact CD1-CD2 3.99Å; L1907-W1951 HydrophobicContact CD1-CB 4.38Å; L1907-W1951 HydrophobicContact CD2-CB 3.55Å; L1907-W1951 HydrophobicContact CD2-CG 4.3Å; L1907-F1953 HydrophobicContact CB-CD1 3.63Å; L1907-F1953 HydrophobicContact CB-CE1 3.76Å; L1907-I1967 HydrophobicContact CD2-CG2 3.8Å; L1907-M1969 HydrophobicContact CD2-CE 3.89Å |
| 1908 | E | 91.4 | Very high | 85.8 | Confident | 101 Ų | 101 | 43.3 Ų | 43.3 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.8 | 176.6 | -58.3 | -166.6 | -178 | 0 | 0 | 110.5 | Q1887 L1888 V1889 | Q1887-E1908 PolarHBondContact NE2-OE2 2.85Å; L1888-E1908 CarbonylContact O-C 3.53Å; L1888-E1908 WeakPolarHBondContact O-CA 3.48Å; V1889-E1908 HydrophobicContact CG1-CG 4.25Å; V1889-E1908 HydrophobicContact CG2-CG 4.21Å |
| 1909 | L | 91.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 113.5 | -176.6 | -67 | 177 | 0 | 0 | 0 | 110.1 | Q1887 L1888 L1907 L1911 M1914 P1915 W1951 M1969 M1971 | Q1887-L1909 CarbonylContact C-O 3.52Å; Q1887-L1909 WeakPolarHBondContact CA-O 3.21Å; L1888-L1909 PolarHBondContact N-O 3.16Å; L1888-L1909 PolarHBondContact O-N 2.85Å; L1907-L1909 HydrophobicContact CD1-CD1 4.43Å; L1907-L1909 HydrophobicContact CD1-CD2 3.89Å; L1907-L1909 HydrophobicContact CD1-CG 3.91Å; L1907-L1909 HydrophobicContact CD2-CD1 4.24Å; L1907-L1909 HydrophobicContact CG-CD1 4.34Å; L1907-L1909 HydrophobicContact CG-CG 4.11Å; L1909-L1911 PolarHBondContact O-N 2.94Å; L1909-L1911 VanDerWaalsContact O-N 3.17Å; L1909-M1914 HydrophobicContact CB-CB 4.35Å; L1909-M1914 HydrophobicContact CD1-CE 4.47Å; L1909-M1914 HydrophobicContact CD2-CB 4.15Å; L1909-P1915 HydrophobicContact CD2-CG 4.15Å; L1909-W1951 HydrophobicContact CD1-CD2 4.48Å; L1909-W1951 HydrophobicContact CD1-CG 4.42Å; L1909-M1969 HydrophobicContact CD1-CE 3.63Å; L1909-M1971 HydrophobicContact CD1-CE 4.2Å |
| 1910 | N | 88.2 | Confident | 87.1 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 108.6 | 164.1 | -179.6 | -4.5 | 0 | 0 | 0 | 108.6 | P1886 S1912 N1913 M1914 | P1886-N1910 CarbonylContact O-C 2.99Å; P1886-N1910 PolarHBondContact O-OD1 3.46Å; N1910-S1912 PolarHBondContact ND2-OG 3.5Å; N1910-S1912 PolarHBondContact O-N 3.21Å; N1910-S1912 VanDerWaalsContact O-N 3.1Å; N1910-S1912 PolarHBondContact OD1-N 2.68Å; N1910-S1912 PolarHBondContact OD1-OG 2.83Å; N1910-N1913 CarbonylContact O-C 3.52Å; N1910-N1913 PolarHBondContact O-N 3.48Å; N1910-M1914 VanDerWaalsContact O-CB 3.23Å; N1910-M1914 WeakPolarHBondContact O-CB 3.15Å; N1910-M1914 WeakPolarHBondContact O-CG 3.31Å; N1910-M1914 PolarHBondContact O-N 3.27Å; N1910-M1914 VanDerWaalsContact O-N 3.13Å |
| 1911 | L | 87.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.4 | -174.4 | -60.4 | 179.9 | 0 | 0 | 0 | 113.1 | L1796 L1827 P1886 L1888 L1909 L1941 F1942 M1971 | L1796-L1911 HydrophobicContact CD2-CD1 3.96Å; L1796-L1911 HydrophobicContact CD2-CD2 4.36Å; L1827-L1911 HydrophobicContact CD2-CD1 3.86Å; P1886-L1911 HydrophobicContact CB-CB 4.23Å; P1886-L1911 HydrophobicContact CB-CD1 4.38Å; P1886-L1911 WeakPolarHBondContact O-CB 3.35Å; P1886-L1911 WeakPolarHBondContact O-CG 3.37Å; P1886-L1911 PolarHBondContact O-N 3.21Å; L1888-L1911 HydrophobicContact CB-CD2 3.77Å; L1888-L1911 HydrophobicContact CB-CG 4.3Å; L1888-L1911 HydrophobicContact CD2-CD2 4.27Å; L1909-L1911 PolarHBondContact O-N 2.94Å; L1909-L1911 VanDerWaalsContact O-N 3.17Å; L1911-L1941 HydrophobicContact CB-CB 4.4Å; L1911-L1941 HydrophobicContact CB-CD2 4.41Å; L1911-L1941 HydrophobicContact CD1-CD2 4.48Å; L1911-L1941 HydrophobicContact CD2-CD2 3.86Å; L1911-L1941 HydrophobicContact CG-CD2 4.48Å; L1911-L1941 VanDerWaalsContact O-CB 3.26Å; L1911-L1941 WeakPolarHBondContact O-CB 3.43Å; L1911-L1941 PolarHBondContact O-N 2.98Å; L1911-F1942 HydrophobicContact CB-CE2 3.83Å; L1911-F1942 HydrophobicContact CB-CZ 4.37Å; L1911-M1971 HydrophobicContact CD2-SD 4.16Å |
| 1912 | S | 81.1 | Confident | 87.4 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -19.4 | 175.9 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | N1864 N1910 N1940 | N1864-S1912 WeakPolarHBondContact ND2-CB 3.4Å; N1864-S1912 PolarHBondContact ND2-OG 3.04Å; N1864-S1912 WeakPolarHBondContact OD1-CB 3.43Å; N1864-S1912 PolarHBondContact OD1-OG 3.03Å; N1910-S1912 PolarHBondContact ND2-OG 3.5Å; N1910-S1912 PolarHBondContact O-N 3.21Å; N1910-S1912 VanDerWaalsContact O-N 3.1Å; N1910-S1912 PolarHBondContact OD1-N 2.68Å; N1910-S1912 PolarHBondContact OD1-OG 2.83Å; S1912-N1940 WeakPolarHBondContact O-CA 3.49Å; S1912-N1940 VanDerWaalsContact O-CB 3.24Å; S1912-N1940 WeakPolarHBondContact O-CB 3.36Å |
| 1913 | N | 83.6 | Confident | 87.4 | Confident | 83 Ų | 83 | 44.3 Ų | 44.3 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -153.4 | 71.5 | -174.6 | -164.9 | 27.6 | 0 | 0 | 0 | 111 | N1910 L1938 | N1910-N1913 CarbonylContact O-C 3.52Å; N1910-N1913 PolarHBondContact O-N 3.48Å; N1913-L1938 VanDerWaalsContact OD1-CB 3.24Å; N1913-L1938 WeakPolarHBondContact OD1-CB 3.48Å; N1913-L1938 VanDerWaalsContact OD1-CD1 3.24Å; N1913-L1938 WeakPolarHBondContact OD1-CD1 3.5Å |
| 1914 | M | 86 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 145.8 | -173.5 | 40.7 | 171.2 | -69.8 | 0 | 0 | 111.7 | L1909 N1910 S1916 L1938 V1939 L1941 L1947 W1951 M1971 | L1909-M1914 HydrophobicContact CB-CB 4.35Å; L1909-M1914 HydrophobicContact CD1-CE 4.47Å; L1909-M1914 HydrophobicContact CD2-CB 4.15Å; N1910-M1914 VanDerWaalsContact O-CB 3.23Å; N1910-M1914 WeakPolarHBondContact O-CB 3.15Å; N1910-M1914 WeakPolarHBondContact O-CG 3.31Å; N1910-M1914 PolarHBondContact O-N 3.27Å; N1910-M1914 VanDerWaalsContact O-N 3.13Å; M1914-S1916 PolarHBondContact O-N 2.77Å; M1914-L1938 CarbonylContact O-C 3.56Å; M1914-L1938 WeakPolarHBondContact O-CA 3.35Å; M1914-V1939 WeakPolarHBondContact CG-O 3.23Å; M1914-V1939 PolarHBondContact N-O 3.35Å; M1914-V1939 PolarHBondContact O-N 3.34Å; M1914-L1941 HydrophobicContact SD-CB 4.27Å; M1914-L1947 HydrophobicContact CE-CD1 4.05Å; M1914-L1947 HydrophobicContact SD-CD1 4.31Å; M1914-W1951 HydrophobicContact CE-CH2 4.36Å; M1914-W1951 HydrophobicContact CE-CZ2 3.4Å; M1914-M1971 HydrophobicContact CE-CE 3.54Å; M1914-M1971 HydrophobicContact SD-CE 4.13Å |
| 1915 | P | 84.7 | Confident | 87.4 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 135.4 | 175.6 | 24.3 | -32.7 | 0 | 0 | 0 | 111.5 | L1909 M1928 L1929 T1936 W1951 | L1909-P1915 HydrophobicContact CD2-CG 4.15Å; P1915-M1928 WeakPolarHBondContact CB-O 3.49Å; P1915-M1928 WeakPolarHBondContact CG-O 3.42Å; P1915-L1929 HydrophobicContact CG-CD2 4.08Å; P1915-T1936 HydrophobicContact CB-CG2 4.49Å; P1915-W1951 PolarHBondContact O-NE1 3.14Å |
| 1916 | S | 85.1 | Confident | 87.1 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 134.4 | -179.4 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | M1914 M1928 K1937 | M1914-S1916 PolarHBondContact O-N 2.77Å; S1916-M1928 VanDerWaalsContact O-CE 3.31Å; S1916-M1928 WeakPolarHBondContact O-CE 3.48Å; S1916-K1937 VanDerWaalsContact CB-O 3.29Å; S1916-K1937 WeakPolarHBondContact CB-O 3.11Å; S1916-K1937 PolarHBondContact N-O 2.69Å; S1916-K1937 PolarHBondContact OG-O 2.92Å |
| 1917 | P | 89.8 | Confident | 86.5 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 141.6 | 179.1 | 16.5 | -24.3 | 0 | 0 | 0 | 111.6 | K1919 L1947 N1948 W1951 | P1917-K1919 PolarHBondContact O-N 3.43Å; P1917-L1947 HydrophobicContact CG-CD2 3.83Å; P1917-N1948 WeakPolarHBondContact CG-O 3.3Å; P1917-W1951 HydrophobicContact CB-CD2 4.1Å; P1917-W1951 HydrophobicContact CB-CE3 4.11Å; P1917-W1951 HydrophobicContact CB-CH2 3.49Å; P1917-W1951 VanDerWaalsContact CB-CH2 3.49Å; P1917-W1951 HydrophobicContact CB-CZ2 3.39Å; P1917-W1951 HydrophobicContact CB-CZ3 3.83Å; P1917-W1951 HydrophobicContact CG-CH2 3.63Å; P1917-W1951 HydrophobicContact CG-CZ2 3.51Å; P1917-W1951 HydrophobicContact CG-CZ3 4.42Å |
| 1918 | S | 89 | Confident | 85.9 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 137.5 | 165.3 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | T1920 K1923 G1949 F1950 | S1918-T1920 VanDerWaalsContact C-N 3.3Å; S1918-T1920 PolarHBondContact OG-N 2.94Å; S1918-T1920 PolarHBondContact OG-O 3.47Å; S1918-K1923 WeakPolarHBondContact OG-CB 3.47Å; S1918-G1949 WeakPolarHBondContact O-CA 3.24Å; S1918-F1950 PolarHBondContact N-O 2.79Å; S1918-F1950 WeakPolarHBondContact O-CD2 3.35Å; S1918-F1950 PolarHBondContact O-N 3.07Å |
| 1919 | K | 86.6 | Confident | 85.2 | Confident | 136 Ų | 136 | 46.6 Ų | 46.6 | 59% | 0.591 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -80.8 | -8 | 174.3 | -65.8 | -58.8 | -175.9 | -169.8 | 0 | 113.8 | P1917 N1948 | P1917-K1919 PolarHBondContact O-N 3.43Å; K1919-N1948 PolarHBondContact NZ-O 3.05Å; K1919-N1948 PolarHBondContact NZ-OD1 2.79Å |
| 1920 | T | 86.7 | Confident | 84 | Confident | 76 Ų | 76 | 52 Ų | 52 | 47% | 0.466 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -143 | 141.7 | 174.9 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | S1918 G1922 K1923 C1924 | S1918-T1920 VanDerWaalsContact C-N 3.3Å; S1918-T1920 PolarHBondContact OG-N 2.94Å; S1918-T1920 PolarHBondContact OG-O 3.47Å; T1920-G1922 PolarHBondContact O-N 3.49Å; T1920-G1922 VanDerWaalsContact O-N 3.1Å; T1920-K1923 PolarHBondContact O-N 2.86Å; T1920-C1924 PolarHBondContact O-N 2.92Å |
| 1921 | R | 84.9 | Confident | 82.2 | Confident | 72 Ų | 72 | 51.8 Ų | 51.8 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -47.3 | -38.4 | 175.8 | 174.9 | -176.3 | 172.5 | 175.4 | 4.9 | 114 | F1804 D1805 E1846 K1923 C1924 F1950 K1966 | F1804-R1921 HydrophobicContact CB-CG 4.25Å; D1805-R1921 IonicContact OD1-CZ 3.93Å; D1805-R1921 IonicContact OD1-NE 3.09Å; D1805-R1921 PolarHBondContact OD1-NE 3.49Å; D1805-R1921 IonicContact OD1-NH2 3.22Å; D1805-R1921 PolarHBondContact OD1-NH2 2.94Å; D1805-R1921 IonicContact OD2-CZ 3.06Å; D1805-R1921 IonicContact OD2-NE 3.38Å; D1805-R1921 PolarHBondContact OD2-NE 3.16Å; D1805-R1921 IonicContact OD2-NH2 2.84Å; E1846-R1921 IonicContact OE1-CZ 2.82Å; E1846-R1921 IonicContact OE1-NH1 3.22Å; E1846-R1921 PolarHBondContact OE1-NH1 3.37Å; E1846-R1921 IonicContact OE1-NH2 2.83Å; E1846-R1921 PolarHBondContact OE1-NH2 3.01Å; R1921-K1923 VanDerWaalsContact C-N 3.32Å; R1921-K1923 PolarHBondContact O-N 3.01Å; R1921-C1924 PolarHBondContact O-N 2.83Å; R1921-F1950 HydrophobicContact CB-CD1 4.14Å; R1921-F1950 HydrophobicContact CB-CE1 3.92Å; R1921-F1950 HydrophobicContact CB-CZ 4.28Å; R1921-K1966 HydrophobicContact CG-CD 4.11Å; R1921-K1966 PolarHBondContact O-NZ 3.09Å; R1921-K1966 VanDerWaalsContact O-NZ 3.09Å |
| 1922 | G | 81.7 | Confident | 80.5 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 74% | 0.742 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -70.5 | -20.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1920 | T1920-G1922 PolarHBondContact O-N 3.49Å; T1920-G1922 VanDerWaalsContact O-N 3.1Å |
| 1923 | K | 85.5 | Confident | 78.9 | Confident | 164 Ų | 164 | 58.7 Ų | 58.7 | 71% | 0.713 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -98.9 | -2 | 174.9 | -71.1 | -172 | 176.9 | -170.5 | 0 | 113.5 | S1918 T1920 R1921 | S1918-K1923 WeakPolarHBondContact OG-CB 3.47Å; T1920-K1923 PolarHBondContact O-N 2.86Å; R1921-K1923 VanDerWaalsContact C-N 3.32Å; R1921-K1923 PolarHBondContact O-N 3.01Å |
| 1924 | C | 89.2 | Confident | 77.5 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.02 | 36% | 0.362 | C | S | . | . | trans | -82.7 | 115.2 | 176.6 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | T1920 R1921 M1928 F1950 P1952 K1966 | T1920-C1924 PolarHBondContact O-N 2.92Å; R1921-C1924 PolarHBondContact O-N 2.83Å; C1924-M1928 HydrophobicContact CB-SD 4.37Å; C1924-F1950 HydrophobicContact CB-CB 3.84Å; C1924-P1952 VanDerWaalsContact SG-N 3.4Å; C1924-K1966 HydrophobicContact CB-CD 4Å; C1924-K1966 HydrophobicContact CB-CG 4.41Å; C1924-K1966 WeakPolarHBondContact O-CE 3.26Å | ||
| 1925 | S | 86.1 | Confident | 76 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 32% | 0.322 | 40% | 0.402 | S | S | . | . | trans | -147.3 | 164.9 | -176.7 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | N1927 M1928 | S1925-N1927 PolarHBondContact O-N 2.89Å; S1925-N1927 VanDerWaalsContact O-N 3.16Å; S1925-M1928 WeakPolarHBondContact O-CB 3.41Å; S1925-M1928 WeakPolarHBondContact O-CG 3.37Å; S1925-M1928 PolarHBondContact O-N 3.32Å | ||
| 1926 | L | 83.7 | Confident | 75 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 15% | 0.147 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -32.9 | -178.4 | -159.6 | 80.6 | 0 | 0 | 0 | 113.7 | M1928 L1929 Q1930 V1954 P1961 L1963 | L1926-M1928 PolarHBondContact O-N 2.95Å; L1926-L1929 PolarHBondContact O-N 2.69Å; L1926-Q1930 PolarHBondContact O-N 2.7Å; L1926-V1954 HydrophobicContact CD1-CB 4.4Å; L1926-V1954 HydrophobicContact CD1-CG1 4.07Å; L1926-V1954 HydrophobicContact CD1-CG2 3.51Å; L1926-P1961 HydrophobicContact CD1-CB 4.42Å; L1926-P1961 HydrophobicContact CD2-CB 4.14Å; L1926-P1961 HydrophobicContact CD2-CG 4.16Å; L1926-P1961 WeakPolarHBondContact CD2-O 3.13Å; L1926-L1963 HydrophobicContact CD1-CB 4.32Å |
| 1927 | N | 80.5 | Confident | 74.2 | Confident | 105 Ų | 105 | 78.2 Ų | 78.2 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -55.1 | -24.4 | 177.9 | -61.7 | 24.1 | 0 | 0 | 0 | 112.8 | S1925 L1929 S1931 | S1925-N1927 PolarHBondContact O-N 2.89Å; S1925-N1927 VanDerWaalsContact O-N 3.16Å; N1927-L1929 PolarHBondContact O-N 3.09Å; N1927-S1931 VanDerWaalsContact O-CB 3.29Å; N1927-S1931 WeakPolarHBondContact O-CB 3.38Å; N1927-S1931 PolarHBondContact O-N 2.77Å; N1927-S1931 PolarHBondContact O-OG 3.37Å |
| 1928 | M | 81.1 | Confident | 73.8 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 9% | 0.089 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.2 | -26.3 | 175.7 | -66.3 | 177.5 | 61.3 | 0 | 0 | 113.6 | P1915 S1916 C1924 S1925 L1926 P1952 | P1915-M1928 WeakPolarHBondContact CB-O 3.49Å; P1915-M1928 WeakPolarHBondContact CG-O 3.42Å; S1916-M1928 VanDerWaalsContact O-CE 3.31Å; S1916-M1928 WeakPolarHBondContact O-CE 3.48Å; C1924-M1928 HydrophobicContact CB-SD 4.37Å; S1925-M1928 WeakPolarHBondContact O-CB 3.41Å; S1925-M1928 WeakPolarHBondContact O-CG 3.37Å; S1925-M1928 PolarHBondContact O-N 3.32Å; L1926-M1928 PolarHBondContact O-N 2.95Å; M1928-P1952 HydrophobicContact CB-CG 4.42Å |
| 1929 | L | 77.1 | Confident | 73.4 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -100.1 | -32.3 | 179.7 | -62.8 | 175 | 0 | 0 | 0 | 112.3 | L1907 P1915 L1926 N1927 V1932 P1952 V1954 | L1907-L1929 HydrophobicContact CD1-CD1 4.34Å; L1907-L1929 HydrophobicContact CD1-CD2 3.99Å; P1915-L1929 HydrophobicContact CG-CD2 4.08Å; L1926-L1929 PolarHBondContact O-N 2.69Å; N1927-L1929 PolarHBondContact O-N 3.09Å; L1929-V1932 WeakPolarHBondContact O-CG2 3.38Å; L1929-P1952 HydrophobicContact CD1-CG 3.78Å; L1929-P1952 HydrophobicContact CG-CG 3.9Å; L1929-V1954 HydrophobicContact CD1-CG2 3.46Å; L1929-V1954 VanDerWaalsContact CD1-CG2 3.46Å |
| 1930 | Q | 65.9 | Low | 73.2 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 54% | 0.537 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -80.6 | -25.9 | -176.9 | -67.5 | -179.6 | -30.3 | 0 | 0 | 114.4 | L1926 V1932 | L1926-Q1930 PolarHBondContact O-N 2.7Å; Q1930-V1932 PolarHBondContact O-N 3.27Å |
| 1931 | S | 50.9 | Low | 73.2 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | trans | -91.5 | 21.6 | -166.2 | 63.4 | 0 | 0 | 0 | 0 | 116.1 | N1927 G1933 N1934 T1936 | N1927-S1931 VanDerWaalsContact O-CB 3.29Å; N1927-S1931 WeakPolarHBondContact O-CB 3.38Å; N1927-S1931 PolarHBondContact O-N 2.77Å; N1927-S1931 PolarHBondContact O-OG 3.37Å; S1931-G1933 PolarHBondContact O-N 2.97Å; S1931-N1934 PolarHBondContact O-N 2.73Å; S1931-T1936 PolarHBondContact O-OG1 3.37Å; S1931-T1936 WeakPolarHBondContact OG-CG2 3.33Å; S1931-T1936 PolarHBondContact OG-OG1 2.93Å | ||
| 1932 | V | 50.3 | Low | 73.1 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -10.8 | -173.5 | 179.8 | 0 | 0 | 0 | 0 | 114 | L1929 Q1930 L1938 | L1929-V1932 WeakPolarHBondContact O-CG2 3.38Å; Q1930-V1932 PolarHBondContact O-N 3.27Å; V1932-L1938 HydrophobicContact CG1-CD1 4.35Å |
| 1933 | G | 49.4 | Very low | 73 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 73% | 0.732 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | S1931 | S1931-G1933 PolarHBondContact O-N 2.97Š|
| 1934 | N | 52.9 | Low | 72.7 | Confident | 164 Ų | 164 | 69.4 Ų | 69.4 | 88% | 0.877 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.2 | -23.3 | -159.7 | -84.4 | -29.5 | 0 | 0 | 0 | 118.7 | S1931 | S1931-N1934 PolarHBondContact O-N 2.73Š|
| 1935 | E | 55.8 | Low | 72.5 | Confident | 181 Ų | 181 | 74 Ų | 74 | 85% | 0.846 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | -18.7 | -174 | -70.3 | -165.1 | 161.3 | 0 | 0 | 115.9 | ||
| 1936 | T | 62.3 | Low | 72.7 | Confident | 36 Ų | 36 | 77.9 Ų | 77.9 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | trans | -82.4 | 128.5 | 178.3 | 15.4 | 0 | 0 | 0 | 0 | 112.2 | P1915 S1931 L1938 | P1915-T1936 HydrophobicContact CB-CG2 4.49Å; S1931-T1936 PolarHBondContact O-OG1 3.37Å; S1931-T1936 WeakPolarHBondContact OG-CG2 3.33Å; S1931-T1936 PolarHBondContact OG-OG1 2.93Å; T1936-L1938 PolarHBondContact O-N 2.96Å | ||
| 1937 | K | 69.8 | Low | 73 | Confident | 166 Ų | 166 | 77.3 Ų | 77.3 | 72% | 0.722 | 40% | 0.4 | S | S | * | . | trans | -73.6 | 113.9 | 169.3 | -174.1 | 176.4 | -179.7 | -180 | 0 | 109.8 | S1916 | S1916-K1937 VanDerWaalsContact CB-O 3.29Å; S1916-K1937 WeakPolarHBondContact CB-O 3.11Å; S1916-K1937 PolarHBondContact N-O 2.69Å; S1916-K1937 PolarHBondContact OG-O 2.92Å | ||
| 1938 | L | 79.8 | Confident | 73.5 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 29% | 0.293 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 156.4 | 172.8 | -58.8 | 167.4 | 0 | 0 | 0 | 110.9 | N1913 M1914 V1932 T1936 | N1913-L1938 VanDerWaalsContact OD1-CB 3.24Å; N1913-L1938 WeakPolarHBondContact OD1-CB 3.48Å; N1913-L1938 VanDerWaalsContact OD1-CD1 3.24Å; N1913-L1938 WeakPolarHBondContact OD1-CD1 3.5Å; M1914-L1938 CarbonylContact O-C 3.56Å; M1914-L1938 WeakPolarHBondContact O-CA 3.35Å; V1932-L1938 HydrophobicContact CG1-CD1 4.35Å; T1936-L1938 PolarHBondContact O-N 2.96Å |
| 1939 | V | 81.5 | Confident | 74.1 | Confident | 28 Ų | 28 | 75.8 Ų | 75.8 | 17% | 0.17 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142.3 | -176.9 | -166 | 0 | 0 | 0 | 0 | 109.7 | M1914 C1944 L1947 | M1914-V1939 WeakPolarHBondContact CG-O 3.23Å; M1914-V1939 PolarHBondContact N-O 3.35Å; M1914-V1939 PolarHBondContact O-N 3.34Å; V1939-C1944 HydrophobicContact CG1-CB 3.9Å; V1939-L1947 HydrophobicContact CB-CD1 4.41Å; V1939-L1947 HydrophobicContact CG1-CD1 3.83Å; V1939-L1947 HydrophobicContact CG1-CD2 4.29Å |
| 1940 | N | 82.8 | Confident | 74.9 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 19% | 0.187 | 39% | 0.386 | C | S | . | . | trans | -101.8 | 117.7 | 172.7 | -176.9 | -9.1 | 0 | 0 | 0 | 109.6 | S1912 F1942 E1943 C1944 | S1912-N1940 WeakPolarHBondContact O-CA 3.49Å; S1912-N1940 VanDerWaalsContact O-CB 3.24Å; S1912-N1940 WeakPolarHBondContact O-CB 3.36Å; N1940-F1942 VanDerWaalsContact C-N 3.3Å; N1940-F1942 PolarHBondContact O-N 3.37Å; N1940-F1942 WeakPolarHBondContact OD1-CB 3.2Å; N1940-F1942 WeakPolarHBondContact OD1-CD2 3.5Å; N1940-F1942 PolarHBondContact OD1-N 2.97Å; N1940-E1943 HydrophobicContact CB-CB 4.29Å; N1940-E1943 HydrophobicContact CB-CG 4.26Å; N1940-E1943 PolarHBondContact ND2-OE1 2.91Å; N1940-E1943 PolarHBondContact O-N 2.64Å; N1940-C1944 WeakPolarHBondContact O-CB 3.5Å; N1940-C1944 PolarHBondContact O-N 3.04Å | ||
| 1941 | L | 86 | Confident | 76.2 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.9 | 178.5 | -176.5 | 69.4 | 0 | 0 | 0 | 112.4 | L1796 L1911 M1914 E1943 C1944 R1945 L1947 M1971 L1973 | L1796-L1941 HydrophobicContact CD1-CD2 3.67Å; L1911-L1941 HydrophobicContact CB-CB 4.4Å; L1911-L1941 HydrophobicContact CB-CD2 4.41Å; L1911-L1941 HydrophobicContact CD1-CD2 4.48Å; L1911-L1941 HydrophobicContact CD2-CD2 3.86Å; L1911-L1941 HydrophobicContact CG-CD2 4.48Å; L1911-L1941 VanDerWaalsContact O-CB 3.26Å; L1911-L1941 WeakPolarHBondContact O-CB 3.43Å; L1911-L1941 PolarHBondContact O-N 2.98Å; M1914-L1941 HydrophobicContact SD-CB 4.27Å; L1941-E1943 VanDerWaalsContact C-N 3.3Å; L1941-E1943 PolarHBondContact O-N 3.08Å; L1941-C1944 CarbonylContact O-C 3.51Å; L1941-C1944 VanDerWaalsContact O-C 3.24Å; L1941-R1945 VanDerWaalsContact O-CA 3.27Å; L1941-R1945 WeakPolarHBondContact O-CA 3.38Å; L1941-R1945 PolarHBondContact O-N 3.49Å; L1941-L1947 HydrophobicContact CB-CD1 4.44Å; L1941-L1947 HydrophobicContact CD1-CB 4.22Å; L1941-L1947 HydrophobicContact CD1-CD1 3.8Å; L1941-L1947 HydrophobicContact CD1-CG 4.4Å; L1941-M1971 HydrophobicContact CD1-CB 3.97Å; L1941-M1971 HydrophobicContact CD2-CB 4.19Å; L1941-M1971 HydrophobicContact CD2-SD 4.24Å; L1941-L1973 HydrophobicContact CD2-CB 4.25Å; L1941-L1973 HydrophobicContact CG-CB 4.09Å |
| 1942 | F | 82.8 | Confident | 78.2 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28 | 177.1 | -61.6 | -86.1 | 0 | 0 | 0 | 112.3 | F1857 Y1859 P1886 L1911 N1940 L1973 | F1857-F1942 HydrophobicContact CE2-CE1 4.03Å; F1857-F1942 HydrophobicContact CE2-CZ 4.04Å; F1857-F1942 AromaticContact CZ-CE1 3.97Å; F1857-F1942 HydrophobicContact CZ-CE1 3.97Å; F1857-F1942 HydrophobicContact CZ-CZ 4.1Å; Y1859-F1942 AromaticContact CD1-CD1 3.5Å; Y1859-F1942 HydrophobicContact CD1-CD1 3.5Å; Y1859-F1942 AromaticContact CD1-CE1 3.24Å; Y1859-F1942 HydrophobicContact CD1-CE1 3.24Å; Y1859-F1942 HydrophobicContact CD1-CG 4.36Å; Y1859-F1942 AromaticContact CD1-CZ 3.9Å; Y1859-F1942 HydrophobicContact CD1-CZ 3.9Å; Y1859-F1942 AromaticContact CD2-CE1 3.91Å; Y1859-F1942 HydrophobicContact CD2-CE1 3.91Å; Y1859-F1942 HydrophobicContact CD2-CE2 4.49Å; Y1859-F1942 AromaticContact CD2-CZ 3.74Å; Y1859-F1942 HydrophobicContact CD2-CZ 3.74Å; Y1859-F1942 HydrophobicContact CE1-CB 4.44Å; Y1859-F1942 AromaticContact CE1-CD1 3.22Å; Y1859-F1942 HydrophobicContact CE1-CD1 3.22Å; Y1859-F1942 HydrophobicContact CE1-CD2 4.01Å; Y1859-F1942 AromaticContact CE1-CE1 3.29Å; Y1859-F1942 HydrophobicContact CE1-CE1 3.29Å; Y1859-F1942 HydrophobicContact CE1-CE2 4.05Å; Y1859-F1942 AromaticContact CE1-CG 3.63Å; Y1859-F1942 HydrophobicContact CE1-CG 3.63Å; Y1859-F1942 AromaticContact CE1-CZ 3.71Å; Y1859-F1942 HydrophobicContact CE1-CZ 3.71Å; Y1859-F1942 AromaticContact CE2-CE1 3.97Å; Y1859-F1942 HydrophobicContact CE2-CE1 3.97Å; Y1859-F1942 AromaticContact CE2-CE2 3.87Å; Y1859-F1942 HydrophobicContact CE2-CE2 3.87Å; Y1859-F1942 AromaticContact CE2-CZ 3.57Å; Y1859-F1942 HydrophobicContact CE2-CZ 3.57Å; Y1859-F1942 HydrophobicContact CG-CD1 4.29Å; Y1859-F1942 AromaticContact CG-CE1 3.56Å; Y1859-F1942 HydrophobicContact CG-CE1 3.56Å; Y1859-F1942 AromaticContact CG-CZ 3.9Å; Y1859-F1942 HydrophobicContact CG-CZ 3.9Å; Y1859-F1942 AromaticContact CZ-CD1 3.85Å; Y1859-F1942 AromaticContact CZ-CD2 3.81Å; Y1859-F1942 AromaticContact CZ-CE1 3.67Å; Y1859-F1942 AromaticContact CZ-CE2 3.61Å; Y1859-F1942 AromaticContact CZ-CG 3.93Å; Y1859-F1942 AromaticContact CZ-CZ 3.54Å; P1886-F1942 HydrophobicContact CB-CE2 3.92Å; P1886-F1942 HydrophobicContact CB-CZ 3.84Å; P1886-F1942 HydrophobicContact CG-CE2 3.84Å; P1886-F1942 HydrophobicContact CG-CZ 4.21Å; L1911-F1942 HydrophobicContact CB-CE2 3.83Å; L1911-F1942 HydrophobicContact CB-CZ 4.37Å; N1940-F1942 VanDerWaalsContact C-N 3.3Å; N1940-F1942 PolarHBondContact O-N 3.37Å; N1940-F1942 WeakPolarHBondContact OD1-CB 3.2Å; N1940-F1942 WeakPolarHBondContact OD1-CD2 3.5Å; N1940-F1942 PolarHBondContact OD1-N 2.97Å; F1942-L1973 HydrophobicContact CB-CD2 4.4Å; F1942-L1973 HydrophobicContact CD1-CD2 3.2Å; F1942-L1973 HydrophobicContact CE1-CD2 3.48Å; F1942-L1973 VanDerWaalsContact CE1-CD2 3.48Å; F1942-L1973 HydrophobicContact CG-CD2 3.91Å; F1942-L1973 HydrophobicContact CZ-CD2 4.39Å |
| 1943 | E | 79 | Confident | 80.3 | Confident | 157 Ų | 157 | 63.2 Ų | 63.2 | 73% | 0.734 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -55.6 | 168.7 | -67.8 | 168.5 | -150.5 | 0 | 0 | 110.9 | N1940 L1941 R1945 | N1940-E1943 HydrophobicContact CB-CB 4.29Å; N1940-E1943 HydrophobicContact CB-CG 4.26Å; N1940-E1943 PolarHBondContact ND2-OE1 2.91Å; N1940-E1943 PolarHBondContact O-N 2.64Å; L1941-E1943 VanDerWaalsContact C-N 3.3Å; L1941-E1943 PolarHBondContact O-N 3.08Å; E1943-R1945 VanDerWaalsContact C-N 3.35Å; E1943-R1945 PolarHBondContact O-N 3.06Å; E1943-R1945 VanDerWaalsContact O-N 3.13Å |
| 1944 | C | 80.7 | Confident | 82.2 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 37% | 0.365 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -88.4 | 70.1 | 179.6 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | V1939 N1940 L1941 R1946 L1947 | V1939-C1944 HydrophobicContact CG1-CB 3.9Å; N1940-C1944 WeakPolarHBondContact O-CB 3.5Å; N1940-C1944 PolarHBondContact O-N 3.04Å; L1941-C1944 CarbonylContact O-C 3.51Å; L1941-C1944 VanDerWaalsContact O-C 3.24Å; C1944-R1946 PolarHBondContact O-N 2.92Å; C1944-L1947 HydrophobicContact CB-CD1 4.37Å |
| 1945 | R | 83.8 | Confident | 83.8 | Confident | 99 Ų | 99 | 53.7 Ų | 53.7 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | trans | -51.8 | -9.5 | -171 | -64.4 | -157 | -174.9 | -170.7 | 9.8 | 117.7 | L1941 E1943 E1972 L1973 E1978 | L1941-R1945 VanDerWaalsContact O-CA 3.27Å; L1941-R1945 WeakPolarHBondContact O-CA 3.38Å; L1941-R1945 PolarHBondContact O-N 3.49Å; E1943-R1945 VanDerWaalsContact C-N 3.35Å; E1943-R1945 PolarHBondContact O-N 3.06Å; E1943-R1945 VanDerWaalsContact O-N 3.13Å; R1945-E1972 CarbonylContact O-C 3.58Å; R1945-E1972 WeakPolarHBondContact O-CA 3.23Å; R1945-L1973 PolarHBondContact O-N 3.16Å; R1945-E1978 IonicContact CZ-OE1 3.44Å; R1945-E1978 IonicContact NH1-OE1 3.19Å; R1945-E1978 PolarHBondContact NH1-OE1 3.41Å; R1945-E1978 IonicContact NH1-OE2 2.76Å; R1945-E1978 PolarHBondContact NH1-OE2 2.76Å; R1945-E1978 IonicContact NH2-OE1 2.67Å | ||
| 1946 | R | 89.5 | Confident | 84.9 | Confident | 129 Ų | 129 | 51.3 Ų | 51.3 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 127.8 | 174.4 | -167.7 | 169.7 | 174.2 | 166.6 | -0.1 | 111.1 | C1944 E1970 M1971 E1972 | C1944-R1946 PolarHBondContact O-N 2.92Å; R1946-E1970 IonicContact CZ-OE1 3.68Å; R1946-E1970 IonicContact NE-OE1 2.68Å; R1946-E1970 PolarHBondContact NE-OE1 2.83Å; R1946-E1970 IonicContact NH2-OE1 2.69Å; R1946-E1970 PolarHBondContact NH2-OE1 2.79Å; R1946-E1970 IonicContact NH2-OE2 2.68Å; R1946-M1971 CarbonylContact C-O 3.59Å; R1946-M1971 VanDerWaalsContact CA-O 3.27Å; R1946-M1971 WeakPolarHBondContact CA-O 3.18Å; R1946-E1972 HydrophobicContact CG-CB 4.37Å |
| 1947 | L | 90.9 | Very high | 85.3 | Confident | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 128 | -175.9 | -90.1 | 158.6 | 0 | 0 | 0 | 110.4 | M1914 P1917 V1939 L1941 C1944 E1970 M1971 | M1914-L1947 HydrophobicContact CE-CD1 4.05Å; M1914-L1947 HydrophobicContact SD-CD1 4.31Å; P1917-L1947 HydrophobicContact CG-CD2 3.83Å; V1939-L1947 HydrophobicContact CB-CD1 4.41Å; V1939-L1947 HydrophobicContact CG1-CD1 3.83Å; V1939-L1947 HydrophobicContact CG1-CD2 4.29Å; L1941-L1947 HydrophobicContact CB-CD1 4.44Å; L1941-L1947 HydrophobicContact CD1-CB 4.22Å; L1941-L1947 HydrophobicContact CD1-CD1 3.8Å; L1941-L1947 HydrophobicContact CD1-CG 4.4Å; C1944-L1947 HydrophobicContact CB-CD1 4.37Å; L1947-E1970 CarbonylContact O-C 3.59Å; L1947-E1970 WeakPolarHBondContact O-CA 3.31Å; L1947-M1971 PolarHBondContact N-O 2.99Å; L1947-M1971 PolarHBondContact O-N 2.96Å |
| 1948 | N | 91.1 | Very high | 85 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146.9 | 177.9 | 70.3 | -16.2 | 0 | 0 | 0 | 113 | P1917 K1919 M1969 E1970 | P1917-N1948 WeakPolarHBondContact CG-O 3.3Å; K1919-N1948 PolarHBondContact NZ-O 3.05Å; K1919-N1948 PolarHBondContact NZ-OD1 2.79Å; N1948-M1969 WeakPolarHBondContact CA-O 3.44Å; N1948-E1970 HydrophobicContact CB-CB 4.17Å; N1948-E1970 HydrophobicContact CB-CG 4.13Å |
| 1949 | G | 93 | Very high | 84.4 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.3 | -150.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1918 M1969 | S1918-G1949 WeakPolarHBondContact O-CA 3.24Å; G1949-M1969 PolarHBondContact N-O 3.03Å; G1949-M1969 VanDerWaalsContact N-O 3.12Å; G1949-M1969 PolarHBondContact O-N 2.9Å |
| 1950 | F | 93.7 | Very high | 84.1 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.6 | -170.3 | -58.7 | -96.6 | 0 | 0 | 0 | 112.1 | F1804 S1918 R1921 C1924 I1967 E1968 | F1804-F1950 HydrophobicContact CD2-CD1 4.25Å; F1804-F1950 AromaticContact CD2-CE1 3.68Å; F1804-F1950 HydrophobicContact CD2-CE1 3.68Å; F1804-F1950 AromaticContact CE2-CE1 3.66Å; F1804-F1950 HydrophobicContact CE2-CE1 3.66Å; F1804-F1950 HydrophobicContact CE2-CZ 4.43Å; S1918-F1950 PolarHBondContact N-O 2.79Å; S1918-F1950 WeakPolarHBondContact O-CD2 3.35Å; S1918-F1950 PolarHBondContact O-N 3.07Å; R1921-F1950 HydrophobicContact CB-CD1 4.14Å; R1921-F1950 HydrophobicContact CB-CE1 3.92Å; R1921-F1950 HydrophobicContact CB-CZ 4.28Å; C1924-F1950 HydrophobicContact CB-CB 3.84Å; F1950-I1967 VanDerWaalsContact CA-O 3.27Å; F1950-I1967 WeakPolarHBondContact CA-O 3.5Å; F1950-E1968 HydrophobicContact CD1-CB 3.91Å; F1950-E1968 HydrophobicContact CD1-CG 4.35Å; F1950-E1968 HydrophobicContact CE1-CB 3.64Å; F1950-E1968 HydrophobicContact CE1-CG 3.86Å; F1950-E1968 HydrophobicContact CE2-CG 4.46Å; F1950-E1968 HydrophobicContact CZ-CB 4.22Å; F1950-E1968 HydrophobicContact CZ-CG 3.9Å; F1950-E1968 WeakPolarHBondContact CZ-OE1 3.36Å |
| 1951 | W | 94 | Very high | 83.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148.9 | 168.7 | -70.5 | -94.4 | 0 | 0 | 0 | 111.1 | L1907 L1909 M1914 P1915 P1917 K1966 I1967 M1969 M1971 | L1907-W1951 HydrophobicContact CD1-CB 4.38Å; L1907-W1951 HydrophobicContact CD2-CB 3.55Å; L1907-W1951 HydrophobicContact CD2-CG 4.3Å; L1909-W1951 HydrophobicContact CD1-CD2 4.48Å; L1909-W1951 HydrophobicContact CD1-CG 4.42Å; M1914-W1951 HydrophobicContact CE-CH2 4.36Å; M1914-W1951 HydrophobicContact CE-CZ2 3.4Å; P1915-W1951 PolarHBondContact O-NE1 3.14Å; P1917-W1951 HydrophobicContact CB-CD2 4.1Å; P1917-W1951 HydrophobicContact CB-CE3 4.11Å; P1917-W1951 HydrophobicContact CB-CH2 3.49Å; P1917-W1951 VanDerWaalsContact CB-CH2 3.49Å; P1917-W1951 HydrophobicContact CB-CZ2 3.39Å; P1917-W1951 HydrophobicContact CB-CZ3 3.83Å; P1917-W1951 HydrophobicContact CG-CH2 3.63Å; P1917-W1951 HydrophobicContact CG-CZ2 3.51Å; P1917-W1951 HydrophobicContact CG-CZ3 4.42Å; W1951-K1966 CarbonylContact O-C 3.56Å; W1951-K1966 VanDerWaalsContact O-CA 3.32Å; W1951-K1966 WeakPolarHBondContact O-CA 3.29Å; W1951-I1967 HydrophobicContact CB-CG2 4.13Å; W1951-I1967 PolarHBondContact N-O 3.46Å; W1951-I1967 PolarHBondContact O-N 3.12Å; W1951-M1969 HydrophobicContact CB-CE 4.38Å; W1951-M1969 HydrophobicContact CD2-CE 3.65Å; W1951-M1969 HydrophobicContact CE3-CE 3.34Å; W1951-M1969 HydrophobicContact CE3-CG 3.6Å; W1951-M1969 HydrophobicContact CE3-SD 4.26Å; W1951-M1969 HydrophobicContact CG-CE 4.14Å; W1951-M1969 HydrophobicContact CH2-CE 4.37Å; W1951-M1969 HydrophobicContact CZ3-CE 3.75Å; W1951-M1969 HydrophobicContact CZ3-CG 3.48Å; W1951-M1969 VanDerWaalsContact CZ3-CG 3.48Å; W1951-M1969 HydrophobicContact CZ3-SD 4.47Å; W1951-M1971 HydrophobicContact CH2-CE 3.34Å; W1951-M1971 HydrophobicContact CZ2-CE 3.53Å; W1951-M1971 HydrophobicContact CZ3-CE 4.05Å |
| 1952 | P | 93.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 144.3 | 177.7 | 32.8 | -34.1 | 0 | 0 | 0 | 112 | C1924 M1928 L1929 L1963 | C1924-P1952 VanDerWaalsContact SG-N 3.4Å; M1928-P1952 HydrophobicContact CB-CG 4.42Å; L1929-P1952 HydrophobicContact CD1-CG 3.78Å; L1929-P1952 HydrophobicContact CG-CG 3.9Å; P1952-L1963 HydrophobicContact CB-CD1 3.33Å |
| 1953 | F | 93.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 146.9 | 161.3 | -78.9 | -61.9 | 0 | 0 | 0 | 110.1 | T1803 V1823 L1890 V1892 L1907 T1964 G1965 I1967 | T1803-F1953 HydrophobicContact CG2-CE2 4.14Å; V1823-F1953 HydrophobicContact CG1-CZ 4.33Å; V1823-F1953 HydrophobicContact CG2-CZ 4.49Å; L1890-F1953 HydrophobicContact CB-CE1 3.97Å; L1890-F1953 HydrophobicContact CB-CZ 4.38Å; V1892-F1953 HydrophobicContact CB-CD2 3.85Å; V1892-F1953 HydrophobicContact CB-CE1 4.45Å; V1892-F1953 HydrophobicContact CB-CE2 3.62Å; V1892-F1953 HydrophobicContact CB-CG 4.34Å; V1892-F1953 HydrophobicContact CB-CZ 3.96Å; V1892-F1953 HydrophobicContact CG1-CB 3.96Å; V1892-F1953 HydrophobicContact CG1-CD1 4.01Å; V1892-F1953 HydrophobicContact CG1-CD2 3.39Å; V1892-F1953 HydrophobicContact CG1-CE1 4.33Å; V1892-F1953 HydrophobicContact CG1-CE2 3.73Å; V1892-F1953 HydrophobicContact CG1-CG 3.54Å; V1892-F1953 HydrophobicContact CG1-CZ 4.2Å; V1892-F1953 HydrophobicContact CG2-CE2 4.48Å; L1907-F1953 HydrophobicContact CB-CD1 3.63Å; L1907-F1953 HydrophobicContact CB-CE1 3.76Å; F1953-T1964 PolarHBondContact O-N 3Å; F1953-T1964 VanDerWaalsContact O-N 3.12Å; F1953-G1965 PolarHBondContact N-O 2.83Å; F1953-I1967 HydrophobicContact CD2-CB 4.32Å; F1953-I1967 HydrophobicContact CE2-CB 3.66Å; F1953-I1967 HydrophobicContact CE2-CD1 4.16Å; F1953-I1967 HydrophobicContact CE2-CG1 4.37Å; F1953-I1967 HydrophobicContact CE2-CG2 4.24Å; F1953-I1967 HydrophobicContact CZ-CB 4.08Å; F1953-I1967 HydrophobicContact CZ-CD1 3.9Å; F1953-I1967 HydrophobicContact CZ-CG2 4.33Å |
| 1954 | V | 89.8 | Confident | 84.7 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 141.2 | -177.1 | -173.5 | 0 | 0 | 0 | 0 | 111 | G1905 T1906 L1926 L1929 E1956 P1961 L1962 | G1905-V1954 CarbonylContact C-O 3.55Å; G1905-V1954 WeakPolarHBondContact CA-O 3.26Å; T1906-V1954 PolarHBondContact N-O 2.9Å; T1906-V1954 PolarHBondContact O-N 2.94Å; L1926-V1954 HydrophobicContact CD1-CB 4.4Å; L1926-V1954 HydrophobicContact CD1-CG1 4.07Å; L1926-V1954 HydrophobicContact CD1-CG2 3.51Å; L1929-V1954 HydrophobicContact CD1-CG2 3.46Å; L1929-V1954 VanDerWaalsContact CD1-CG2 3.46Å; V1954-E1956 HydrophobicContact CG1-CG 4.07Å; V1954-P1961 HydrophobicContact CG1-CB 3.52Å; V1954-L1962 VanDerWaalsContact CA-O 3.27Å; V1954-L1962 WeakPolarHBondContact CA-O 3.46Å |
| 1955 | N | 86.8 | Confident | 85.2 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.3 | 162.3 | -170.6 | -12 | 0 | 0 | 0 | 108.9 | F1903 E1957 L1962 T1964 | F1903-N1955 HydrophobicContact CE1-CB 4.4Å; N1955-E1957 PolarHBondContact ND2-OE2 3.15Å; N1955-E1957 VanDerWaalsContact ND2-OE2 3.09Å; N1955-E1957 WeakPolarHBondContact OD1-CB 2.98Å; N1955-E1957 VanDerWaalsContact OD1-CG 3.31Å; N1955-E1957 WeakPolarHBondContact OD1-CG 3.44Å; N1955-E1957 PolarHBondContact OD1-N 3.39Å; N1955-L1962 PolarHBondContact N-O 2.91Å; N1955-L1962 VanDerWaalsContact N-O 3.09Å; N1955-L1962 PolarHBondContact O-N 3.09Å; N1955-T1964 HydrophobicContact CB-CG2 3.65Å |
| 1956 | E | 78.5 | Confident | 85.7 | Confident | 130 Ų | 130 | 50 Ų | 50 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | trans | -117.7 | 8.6 | -178.5 | -60.3 | -162.4 | 155.1 | 0 | 0 | 113.5 | V1954 S1958 G1959 P1961 | V1954-E1956 HydrophobicContact CG1-CG 4.07Å; E1956-S1958 PolarHBondContact O-N 3.16Å; E1956-G1959 WeakPolarHBondContact O-CA 3.4Å; E1956-G1959 PolarHBondContact O-N 3.45Å; E1956-P1961 HydrophobicContact CG-CB 4.07Å | ||
| 1957 | E | 69.7 | Low | 86 | Confident | 157 Ų | 157 | 43.9 Ų | 43.9 | 73% | 0.734 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28 | -177.3 | -80.5 | 176.6 | 150.4 | 0 | 0 | 114.6 | N1955 G1959 | N1955-E1957 PolarHBondContact ND2-OE2 3.15Å; N1955-E1957 VanDerWaalsContact ND2-OE2 3.09Å; N1955-E1957 WeakPolarHBondContact OD1-CB 2.98Å; N1955-E1957 VanDerWaalsContact OD1-CG 3.31Å; N1955-E1957 WeakPolarHBondContact OD1-CG 3.44Å; N1955-E1957 PolarHBondContact OD1-N 3.39Å; E1957-G1959 VanDerWaalsContact C-N 3.32Å |
| 1958 | S | 63.8 | Low | 86.2 | Confident | 77 Ų | 77 | 45.7 Ų | 45.7 | 54% | 0.538 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 13.6 | 174.4 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | E1956 T1960 L1962 | E1956-S1958 PolarHBondContact O-N 3.16Å; S1958-T1960 PolarHBondContact O-N 3.47Å; S1958-T1960 VanDerWaalsContact O-N 3.16Å; S1958-T1960 PolarHBondContact O-OG1 3.38Å; S1958-T1960 PolarHBondContact OG-OG1 2.91Å; S1958-L1962 WeakPolarHBondContact OG-CD1 3.41Å |
| 1959 | G | 68 | Low | 86.4 | Confident | 71 Ų | 71 | 41.8 Ų | 41.8 | 73% | 0.732 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 68.2 | 7.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1956 E1957 | E1956-G1959 WeakPolarHBondContact O-CA 3.4Å; E1956-G1959 PolarHBondContact O-N 3.45Å; E1957-G1959 VanDerWaalsContact C-N 3.32Å |
| 1960 | T | 75.6 | Confident | 86.5 | Confident | 85 Ų | 85 | 42.4 Ų | 42.4 | 52% | 0.521 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -135.6 | 124.8 | 178.4 | 34.4 | 0 | 0 | 0 | 0 | 108.6 | S1958 L1962 | S1958-T1960 PolarHBondContact O-N 3.47Å; S1958-T1960 VanDerWaalsContact O-N 3.16Å; S1958-T1960 PolarHBondContact O-OG1 3.38Å; S1958-T1960 PolarHBondContact OG-OG1 2.91Å; T1960-L1962 PolarHBondContact O-N 2.89Å; T1960-L1962 VanDerWaalsContact O-N 3.17Å |
| 1961 | P | 78.8 | Confident | 86.5 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | trans | -67.5 | 115 | -176.6 | 24.4 | -33.7 | 0 | 0 | 0 | 111.3 | L1926 V1954 E1956 | L1926-P1961 HydrophobicContact CD1-CB 4.42Å; L1926-P1961 HydrophobicContact CD2-CB 4.14Å; L1926-P1961 HydrophobicContact CD2-CG 4.16Å; L1926-P1961 WeakPolarHBondContact CD2-O 3.13Å; V1954-P1961 HydrophobicContact CG1-CB 3.52Å; E1956-P1961 HydrophobicContact CG-CB 4.07Å | ||
| 1962 | L | 85 | Confident | 86.5 | Confident | 98 Ų | 98 | 42.6 Ų | 42.6 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 135 | 178.3 | -81.9 | 150.5 | 0 | 0 | 0 | 110.2 | V1954 N1955 S1958 T1960 T1964 | V1954-L1962 VanDerWaalsContact CA-O 3.27Å; V1954-L1962 WeakPolarHBondContact CA-O 3.46Å; N1955-L1962 PolarHBondContact N-O 2.91Å; N1955-L1962 VanDerWaalsContact N-O 3.09Å; N1955-L1962 PolarHBondContact O-N 3.09Å; S1958-L1962 WeakPolarHBondContact OG-CD1 3.41Å; T1960-L1962 PolarHBondContact O-N 2.89Å; T1960-L1962 VanDerWaalsContact O-N 3.17Å; L1962-T1964 HydrophobicContact CB-CG2 4.28Å; L1962-T1964 PolarHBondContact O-N 3.2Å; L1962-T1964 VanDerWaalsContact O-N 3.16Å |
| 1963 | L | 88.9 | Confident | 86.4 | Confident | 67 Ų | 67 | 42.7 Ų | 42.7 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 101.8 | 171.3 | 176.5 | 69.3 | 0 | 0 | 0 | 108.9 | L1926 P1952 G1965 K1966 | L1926-L1963 HydrophobicContact CD1-CB 4.32Å; P1952-L1963 HydrophobicContact CB-CD1 3.33Å; L1963-G1965 WeakPolarHBondContact CD1-O 3.26Å; L1963-K1966 HydrophobicContact CD1-CG 4.47Å |
| 1964 | T | 90.2 | Very high | 86.3 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -2.4 | -176 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | V1806 V1807 I1904 G1905 F1953 N1955 L1962 | V1806-T1964 WeakPolarHBondContact CA-O 3.3Å; V1807-T1964 HydrophobicContact CG2-CG2 4.3Å; V1807-T1964 PolarHBondContact N-O 3.02Å; V1807-T1964 VanDerWaalsContact N-O 3.09Å; I1904-T1964 WeakPolarHBondContact O-CB 3.14Å; I1904-T1964 WeakPolarHBondContact O-CG2 3.44Å; I1904-T1964 PolarHBondContact O-OG1 3.16Å; G1905-T1964 WeakPolarHBondContact CA-OG1 3.11Å; F1953-T1964 PolarHBondContact O-N 3Å; F1953-T1964 VanDerWaalsContact O-N 3.12Å; N1955-T1964 HydrophobicContact CB-CG2 3.65Å; L1962-T1964 HydrophobicContact CB-CG2 4.28Å; L1962-T1964 PolarHBondContact O-N 3.2Å; L1962-T1964 VanDerWaalsContact O-N 3.16Å |
| 1965 | G | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -178.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1953 L1963 | F1953-G1965 PolarHBondContact N-O 2.83Å; L1963-G1965 WeakPolarHBondContact CD1-O 3.26Å |
| 1966 | K | 94.5 | Very high | 86.2 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 138 | 173.8 | -59.2 | 167.2 | -172.3 | 170.8 | 0 | 108.9 | T1803 F1804 D1805 R1921 C1924 W1951 L1963 | T1803-K1966 CarbonylContact C-O 3.54Å; T1803-K1966 WeakPolarHBondContact CA-O 3.39Å; T1803-K1966 WeakPolarHBondContact CB-O 3.45Å; F1804-K1966 HydrophobicContact CB-CB 4.47Å; F1804-K1966 PolarHBondContact N-O 2.9Å; F1804-K1966 PolarHBondContact O-N 3.36Å; D1805-K1966 HydrophobicContact CB-CD 4.31Å; D1805-K1966 VanDerWaalsContact OD2-CD 3.3Å; D1805-K1966 WeakPolarHBondContact OD2-CD 3.48Å; D1805-K1966 VanDerWaalsContact OD2-CE 3.25Å; D1805-K1966 WeakPolarHBondContact OD2-CE 3.33Å; D1805-K1966 IonicContact OD2-NZ 2.62Å; D1805-K1966 PolarHBondContact OD2-NZ 2.95Å; R1921-K1966 HydrophobicContact CG-CD 4.11Å; R1921-K1966 PolarHBondContact O-NZ 3.09Å; R1921-K1966 VanDerWaalsContact O-NZ 3.09Å; C1924-K1966 HydrophobicContact CB-CD 4Å; C1924-K1966 HydrophobicContact CB-CG 4.41Å; C1924-K1966 WeakPolarHBondContact O-CE 3.26Å; W1951-K1966 CarbonylContact O-C 3.56Å; W1951-K1966 VanDerWaalsContact O-CA 3.32Å; W1951-K1966 WeakPolarHBondContact O-CA 3.29Å; L1963-K1966 HydrophobicContact CD1-CG 4.47Å |
| 1967 | I | 95.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.1 | 174.9 | -169.3 | 164.8 | 0 | 0 | 0 | 110.4 | V1800 T1803 V1823 L1907 F1950 W1951 F1953 M1969 | V1800-I1967 HydrophobicContact CG1-CD1 3.97Å; V1800-I1967 HydrophobicContact CG1-CG1 4.29Å; V1800-I1967 HydrophobicContact CG2-CD1 4.16Å; T1803-I1967 HydrophobicContact CG2-CB 4.35Å; T1803-I1967 HydrophobicContact CG2-CG1 4.22Å; V1823-I1967 HydrophobicContact CG1-CD1 4.06Å; V1823-I1967 HydrophobicContact CG2-CD1 4.39Å; L1907-I1967 HydrophobicContact CD2-CG2 3.8Å; F1950-I1967 VanDerWaalsContact CA-O 3.27Å; F1950-I1967 WeakPolarHBondContact CA-O 3.5Å; W1951-I1967 HydrophobicContact CB-CG2 4.13Å; W1951-I1967 PolarHBondContact N-O 3.46Å; W1951-I1967 PolarHBondContact O-N 3.12Å; F1953-I1967 HydrophobicContact CD2-CB 4.32Å; F1953-I1967 HydrophobicContact CE2-CB 3.66Å; F1953-I1967 HydrophobicContact CE2-CD1 4.16Å; F1953-I1967 HydrophobicContact CE2-CG1 4.37Å; F1953-I1967 HydrophobicContact CE2-CG2 4.24Å; F1953-I1967 HydrophobicContact CZ-CB 4.08Å; F1953-I1967 HydrophobicContact CZ-CD1 3.9Å; F1953-I1967 HydrophobicContact CZ-CG2 4.33Å; I1967-M1969 HydrophobicContact CD1-CB 4.47Å; I1967-M1969 HydrophobicContact CD1-SD 3.94Å; I1967-M1969 HydrophobicContact CG1-CB 4.18Å; I1967-M1969 HydrophobicContact CG1-CG 4.38Å; I1967-M1969 HydrophobicContact CG1-SD 4.19Å; I1967-M1969 HydrophobicContact CG2-CE 4.18Å; I1967-M1969 HydrophobicContact CG2-CG 4.31Å; I1967-M1969 HydrophobicContact CG2-SD 3.81Å |
| 1968 | E | 95.8 | Very high | 87.3 | Confident | 52 Ų | 52 | 38.6 Ų | 38.6 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 112.8 | 164.4 | -174.5 | 177.6 | -145.7 | 0 | 0 | 108.1 | W1801 N1802 F1804 F1950 | W1801-E1968 HydrophobicContact CB-CB 4.49Å; W1801-E1968 HydrophobicContact CB-CG 4.2Å; W1801-E1968 PolarHBondContact N-O 3.32Å; N1802-E1968 HydrophobicContact CB-CB 4.23Å; N1802-E1968 PolarHBondContact N-O 2.6Å; N1802-E1968 PolarHBondContact ND2-OE2 3.14Å; N1802-E1968 PolarHBondContact O-N 2.98Å; F1804-E1968 HydrophobicContact CD2-CB 4.36Å; F1804-E1968 HydrophobicContact CE2-CB 3.98Å; F1950-E1968 HydrophobicContact CD1-CB 3.91Å; F1950-E1968 HydrophobicContact CD1-CG 4.35Å; F1950-E1968 HydrophobicContact CE1-CB 3.64Å; F1950-E1968 HydrophobicContact CE1-CG 3.86Å; F1950-E1968 HydrophobicContact CE2-CG 4.46Å; F1950-E1968 HydrophobicContact CZ-CB 4.22Å; F1950-E1968 HydrophobicContact CZ-CG 3.9Å; F1950-E1968 WeakPolarHBondContact CZ-OE1 3.36Å |
| 1969 | M | 95 | Very high | 88.5 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 159.9 | -177.4 | 63.5 | -172.4 | -173.8 | 0 | 0 | 112.8 | L1798 V1799 L1890 L1907 L1909 N1948 G1949 W1951 I1967 M1971 | L1798-M1969 HydrophobicContact CD1-CB 3.97Å; L1798-M1969 HydrophobicContact CD1-CG 4.04Å; L1798-M1969 HydrophobicContact CD1-SD 3.72Å; L1798-M1969 HydrophobicContact CD2-SD 4.37Å; V1799-M1969 CarbonylContact O-C 3.43Å; V1799-M1969 VanDerWaalsContact O-CA 3.23Å; V1799-M1969 WeakPolarHBondContact O-CA 3.45Å; V1799-M1969 WeakPolarHBondContact O-CB 3.41Å; L1890-M1969 HydrophobicContact CD1-CE 3.7Å; L1890-M1969 HydrophobicContact CD1-SD 3.42Å; L1890-M1969 WeakPolarHBondContact CD1-SD 3.36Å; L1907-M1969 HydrophobicContact CD2-CE 3.89Å; L1909-M1969 HydrophobicContact CD1-CE 3.63Å; N1948-M1969 WeakPolarHBondContact CA-O 3.44Å; G1949-M1969 PolarHBondContact N-O 3.03Å; G1949-M1969 VanDerWaalsContact N-O 3.12Å; G1949-M1969 PolarHBondContact O-N 2.9Å; W1951-M1969 HydrophobicContact CB-CE 4.38Å; W1951-M1969 HydrophobicContact CD2-CE 3.65Å; W1951-M1969 HydrophobicContact CE3-CE 3.34Å; W1951-M1969 HydrophobicContact CE3-CG 3.6Å; W1951-M1969 HydrophobicContact CE3-SD 4.26Å; W1951-M1969 HydrophobicContact CG-CE 4.14Å; W1951-M1969 HydrophobicContact CH2-CE 4.37Å; W1951-M1969 HydrophobicContact CZ3-CE 3.75Å; W1951-M1969 HydrophobicContact CZ3-CG 3.48Å; W1951-M1969 VanDerWaalsContact CZ3-CG 3.48Å; W1951-M1969 HydrophobicContact CZ3-SD 4.47Å; I1967-M1969 HydrophobicContact CD1-CB 4.47Å; I1967-M1969 HydrophobicContact CD1-SD 3.94Å; I1967-M1969 HydrophobicContact CG1-CB 4.18Å; I1967-M1969 HydrophobicContact CG1-CG 4.38Å; I1967-M1969 HydrophobicContact CG1-SD 4.19Å; I1967-M1969 HydrophobicContact CG2-CE 4.18Å; I1967-M1969 HydrophobicContact CG2-CG 4.31Å; I1967-M1969 HydrophobicContact CG2-SD 3.81Å; M1969-M1971 HydrophobicContact CE-CE 4.02Å |
| 1970 | E | 94.1 | Very high | 89.3 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.4 | 175.4 | 177.9 | 167.4 | -148.6 | 0 | 0 | 109.4 | L1798 V1799 W1801 R1946 L1947 N1948 | L1798-E1970 CarbonylContact C-O 3.58Å; L1798-E1970 WeakPolarHBondContact CA-O 3.39Å; V1799-E1970 HydrophobicContact CB-CB 4.42Å; V1799-E1970 PolarHBondContact N-O 2.86Å; V1799-E1970 PolarHBondContact O-N 3.07Å; W1801-E1970 PolarHBondContact NE1-OE2 3.42Å; R1946-E1970 IonicContact CZ-OE1 3.68Å; R1946-E1970 IonicContact NE-OE1 2.68Å; R1946-E1970 PolarHBondContact NE-OE1 2.83Å; R1946-E1970 IonicContact NH2-OE1 2.69Å; R1946-E1970 PolarHBondContact NH2-OE1 2.79Å; R1946-E1970 IonicContact NH2-OE2 2.68Å; L1947-E1970 CarbonylContact O-C 3.59Å; L1947-E1970 WeakPolarHBondContact O-CA 3.31Å; N1948-E1970 HydrophobicContact CB-CB 4.17Å; N1948-E1970 HydrophobicContact CB-CG 4.13Å |
| 1971 | M | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.1 | 171.7 | -74.8 | 176.5 | -77.8 | 0 | 0 | 109.5 | L1796 R1797 L1798 L1888 L1909 L1911 M1914 L1941 R1946 L1947 W1951 M1969 | L1796-M1971 HydrophobicContact CD1-CB 4.26Å; L1796-M1971 HydrophobicContact CD1-CG 4.27Å; R1797-M1971 CarbonylContact O-C 3.09Å; R1797-M1971 WeakPolarHBondContact O-CA 3.19Å; L1798-M1971 HydrophobicContact CD1-CB 4.46Å; L1798-M1971 HydrophobicContact CD1-CG 3.28Å; L1798-M1971 HydrophobicContact CD1-SD 4.27Å; L1888-M1971 HydrophobicContact CD2-SD 3.78Å; L1909-M1971 HydrophobicContact CD1-CE 4.2Å; L1911-M1971 HydrophobicContact CD2-SD 4.16Å; M1914-M1971 HydrophobicContact CE-CE 3.54Å; M1914-M1971 HydrophobicContact SD-CE 4.13Å; L1941-M1971 HydrophobicContact CD1-CB 3.97Å; L1941-M1971 HydrophobicContact CD2-CB 4.19Å; L1941-M1971 HydrophobicContact CD2-SD 4.24Å; R1946-M1971 CarbonylContact C-O 3.59Å; R1946-M1971 VanDerWaalsContact CA-O 3.27Å; R1946-M1971 WeakPolarHBondContact CA-O 3.18Å; L1947-M1971 PolarHBondContact N-O 2.99Å; L1947-M1971 PolarHBondContact O-N 2.96Å; W1951-M1971 HydrophobicContact CH2-CE 3.34Å; W1951-M1971 HydrophobicContact CZ2-CE 3.53Å; W1951-M1971 HydrophobicContact CZ3-CE 4.05Å; M1969-M1971 HydrophobicContact CE-CE 4.02Å |
| 1972 | E | 93.7 | Very high | 90.3 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.4 | 164.1 | -173.7 | -175.1 | -152.1 | 0 | 0 | 108.6 | R1797 R1945 R1946 V1974 R1982 | R1797-E1972 HydrophobicContact CB-CB 4.38Å; R1797-E1972 PolarHBondContact N-O 3.39Å; R1797-E1972 PolarHBondContact O-N 2.73Å; R1945-E1972 CarbonylContact O-C 3.58Å; R1945-E1972 WeakPolarHBondContact O-CA 3.23Å; R1946-E1972 HydrophobicContact CG-CB 4.37Å; E1972-V1974 HydrophobicContact CG-CG1 3.95Å; E1972-R1982 IonicContact OE1-CZ 3.44Å; E1972-R1982 VanDerWaalsContact OE1-CZ 3.24Å; E1972-R1982 IonicContact OE1-NH1 3.41Å; E1972-R1982 PolarHBondContact OE1-NH1 3.37Å; E1972-R1982 IonicContact OE1-NH2 3.24Å; E1972-R1982 PolarHBondContact OE1-NH2 3.12Å; E1972-R1982 IonicContact OE2-NH1 2.77Å; E1972-R1982 PolarHBondContact OE2-NH1 2.76Å |
| 1973 | L | 91.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.5 | 173.3 | -173.8 | 75.1 | 0 | 0 | 0 | 109.6 | Y1794 L1796 F1857 L1941 F1942 R1945 | Y1794-L1973 HydrophobicContact CD1-CD1 4.23Å; Y1794-L1973 HydrophobicContact CD1-CD2 3.9Å; Y1794-L1973 HydrophobicContact CD1-CG 3.88Å; Y1794-L1973 HydrophobicContact CE1-CD2 4.21Å; Y1794-L1973 HydrophobicContact CG-CD1 4.5Å; L1796-L1973 HydrophobicContact CB-CD1 4.16Å; L1796-L1973 HydrophobicContact CD1-CD1 4.5Å; F1857-L1973 HydrophobicContact CE1-CD1 3.71Å; F1857-L1973 HydrophobicContact CZ-CD1 3.65Å; L1941-L1973 HydrophobicContact CD2-CB 4.25Å; L1941-L1973 HydrophobicContact CG-CB 4.09Å; F1942-L1973 HydrophobicContact CB-CD2 4.4Å; F1942-L1973 HydrophobicContact CD1-CD2 3.2Å; F1942-L1973 HydrophobicContact CE1-CD2 3.48Å; F1942-L1973 VanDerWaalsContact CE1-CD2 3.48Å; F1942-L1973 HydrophobicContact CG-CD2 3.91Å; F1942-L1973 HydrophobicContact CZ-CD2 4.39Å; R1945-L1973 PolarHBondContact O-N 3.16Å |
| 1974 | V | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 150.9 | 178.7 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | Y1794 I1795 E1972 E1978 A1979 | Y1794-V1974 CarbonylContact C-O 3.3Å; Y1794-V1974 WeakPolarHBondContact CA-O 3.46Å; Y1794-V1974 WeakPolarHBondContact CD1-O 3.35Å; I1795-V1974 HydrophobicContact CB-CG2 3.98Å; I1795-V1974 PolarHBondContact N-O 2.73Å; I1795-V1974 WeakPolarHBondContact O-CG2 3.4Å; I1795-V1974 PolarHBondContact O-N 2.65Å; I1795-V1974 VanDerWaalsContact O-N 3.11Å; E1972-V1974 HydrophobicContact CG-CG1 3.95Å; V1974-E1978 WeakPolarHBondContact CA-OE2 3.38Å; V1974-E1978 HydrophobicContact CB-CB 4.02Å; V1974-A1979 HydrophobicContact CG2-CB 3.82Å |
| 1975 | T | 88 | Confident | 90.3 | Very high | 30 Ų | 30 | 38 Ų | 38 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 161.6 | 165.6 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | Y1794 A1977 E1978 A1979 | Y1794-T1975 HydrophobicContact CD1-CG2 4.17Å; Y1794-T1975 HydrophobicContact CE1-CG2 3.72Å; T1975-A1977 VanDerWaalsContact C-N 3.33Å; T1975-A1977 PolarHBondContact O-N 3.45Å; T1975-E1978 PolarHBondContact N-OE2 3.44Å; T1975-E1978 VanDerWaalsContact N-OE2 3.16Å; T1975-E1978 WeakPolarHBondContact O-CB 3.47Å; T1975-E1978 PolarHBondContact O-N 2.66Å; T1975-E1978 VanDerWaalsContact O-N 3.15Å; T1975-E1978 WeakPolarHBondContact OG1-CB 3.08Å; T1975-E1978 VanDerWaalsContact OG1-CG 3.26Å; T1975-E1978 WeakPolarHBondContact OG1-CG 3.34Å; T1975-E1978 PolarHBondContact OG1-N 2.96Å; T1975-E1978 PolarHBondContact OG1-OE1 2.84Å; T1975-A1979 PolarHBondContact O-N 3.21Å |
| 1976 | K | 87.2 | Confident | 90.2 | Very high | 85 Ų | 85 | 42 Ų | 42 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54 | -47 | 173.4 | 179.1 | 162.9 | 177.4 | 173.9 | 0 | 112.9 | E1793 E1978 A1979 D1980 | E1793-K1976 HydrophobicContact CB-CB 3.77Å; E1793-K1976 HydrophobicContact CB-CD 3.79Å; E1793-K1976 HydrophobicContact CB-CG 4.48Å; E1793-K1976 HydrophobicContact CG-CD 4.19Å; E1793-K1976 PolarHBondContact O-N 2.85Å; E1793-K1976 WeakPolarHBondContact OE1-CD 3.33Å; E1793-K1976 IonicContact OE1-NZ 3.7Å; E1793-K1976 PolarHBondContact OE1-NZ 3.02Å; E1793-K1976 WeakPolarHBondContact OE2-CD 3.48Å; E1793-K1976 WeakPolarHBondContact OE2-CE 3.41Å; E1793-K1976 IonicContact OE2-NZ 3.89Å; E1793-K1976 PolarHBondContact OE2-NZ 3.24Å; K1976-E1978 VanDerWaalsContact C-N 3.31Å; K1976-E1978 PolarHBondContact O-N 3.33Å; K1976-A1979 CarbonylContact O-C 3.57Å; K1976-A1979 WeakPolarHBondContact O-CA 3.32Å; K1976-A1979 WeakPolarHBondContact O-CB 3.48Å; K1976-A1979 PolarHBondContact O-N 3.33Å; K1976-D1980 VanDerWaalsContact O-CG 3.26Å; K1976-D1980 PolarHBondContact O-N 2.73Å |
| 1977 | A | 83.7 | Confident | 90.1 | Very high | 65 Ų | 65 | 41.4 Ų | 41.4 | 54% | 0.537 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.3 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1975 L1981 | T1975-A1977 VanDerWaalsContact C-N 3.33Å; T1975-A1977 PolarHBondContact O-N 3.45Å; A1977-L1981 WeakPolarHBondContact O-CG 3.23Å; A1977-L1981 PolarHBondContact O-N 2.85Å |
| 1978 | E | 88.1 | Confident | 89.8 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.9 | -31.5 | 172.3 | -73.5 | 156.2 | -146.1 | 0 | 0 | 112.8 | R1945 V1974 T1975 K1976 R1982 | R1945-E1978 IonicContact CZ-OE1 3.44Å; R1945-E1978 IonicContact NH1-OE1 3.19Å; R1945-E1978 PolarHBondContact NH1-OE1 3.41Å; R1945-E1978 IonicContact NH1-OE2 2.76Å; R1945-E1978 PolarHBondContact NH1-OE2 2.76Å; R1945-E1978 IonicContact NH2-OE1 2.67Å; V1974-E1978 WeakPolarHBondContact CA-OE2 3.38Å; V1974-E1978 HydrophobicContact CB-CB 4.02Å; T1975-E1978 PolarHBondContact N-OE2 3.44Å; T1975-E1978 VanDerWaalsContact N-OE2 3.16Å; T1975-E1978 WeakPolarHBondContact O-CB 3.47Å; T1975-E1978 PolarHBondContact O-N 2.66Å; T1975-E1978 VanDerWaalsContact O-N 3.15Å; T1975-E1978 WeakPolarHBondContact OG1-CB 3.08Å; T1975-E1978 VanDerWaalsContact OG1-CG 3.26Å; T1975-E1978 WeakPolarHBondContact OG1-CG 3.34Å; T1975-E1978 PolarHBondContact OG1-N 2.96Å; T1975-E1978 PolarHBondContact OG1-OE1 2.84Å; K1976-E1978 VanDerWaalsContact C-N 3.31Å; K1976-E1978 PolarHBondContact O-N 3.33Å; E1978-R1982 WeakPolarHBondContact O-CB 3.34Å; E1978-R1982 PolarHBondContact O-N 2.84Å |
| 1979 | A | 87.3 | Confident | 89.5 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.6 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1795 R1797 V1974 T1975 K1976 L1981 R1982 P1983 | I1795-A1979 HydrophobicContact CD1-CB 3.68Å; I1795-A1979 HydrophobicContact CG1-CB 4.32Å; R1797-A1979 VanDerWaalsContact NH2-CA 3.34Å; V1974-A1979 HydrophobicContact CG2-CB 3.82Å; T1975-A1979 PolarHBondContact O-N 3.21Å; K1976-A1979 CarbonylContact O-C 3.57Å; K1976-A1979 WeakPolarHBondContact O-CA 3.32Å; K1976-A1979 WeakPolarHBondContact O-CB 3.48Å; K1976-A1979 PolarHBondContact O-N 3.33Å; A1979-L1981 VanDerWaalsContact C-N 3.28Å; A1979-L1981 PolarHBondContact O-N 2.73Å; A1979-R1982 CarbonylContact O-C 3.03Å; A1979-R1982 PolarHBondContact O-N 3.28Å; A1979-P1983 VanDerWaalsContact O-CA 3.26Å; A1979-P1983 WeakPolarHBondContact O-CA 3.47Å |
| 1980 | D | 85 | Confident | 88.9 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.9 | -35.7 | 174.9 | -62.7 | -30.7 | 0 | 0 | 0 | 111.1 | K1976 | K1976-D1980 VanDerWaalsContact O-CG 3.26Å; K1976-D1980 PolarHBondContact O-N 2.73Å |
| 1981 | L | 86.1 | Confident | 88.5 | Confident | 149 Ų | 149 | 56.7 Ų | 56.7 | 78% | 0.78 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -74.5 | -29.4 | 173.1 | -72.8 | 169.7 | 0 | 0 | 0 | 113.9 | A1977 A1979 | A1977-L1981 WeakPolarHBondContact O-CG 3.23Å; A1977-L1981 PolarHBondContact O-N 2.85Å; A1979-L1981 VanDerWaalsContact C-N 3.28Å; A1979-L1981 PolarHBondContact O-N 2.73Å |
| 1982 | R | 90.7 | Very high | 88.2 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -127.3 | 66.2 | -179.4 | -64.6 | -168.1 | -63.3 | 134.6 | -9.2 | 110.4 | R1797 E1972 E1978 A1979 N1994 | R1797-R1982 PolarHBondContact NH1-O 2.81Å; R1797-R1982 PolarHBondContact NH2-O 2.79Å; E1972-R1982 IonicContact OE1-CZ 3.44Å; E1972-R1982 VanDerWaalsContact OE1-CZ 3.24Å; E1972-R1982 IonicContact OE1-NH1 3.41Å; E1972-R1982 PolarHBondContact OE1-NH1 3.37Å; E1972-R1982 IonicContact OE1-NH2 3.24Å; E1972-R1982 PolarHBondContact OE1-NH2 3.12Å; E1972-R1982 IonicContact OE2-NH1 2.77Å; E1972-R1982 PolarHBondContact OE2-NH1 2.76Å; E1978-R1982 WeakPolarHBondContact O-CB 3.34Å; E1978-R1982 PolarHBondContact O-N 2.84Å; A1979-R1982 CarbonylContact O-C 3.03Å; A1979-R1982 PolarHBondContact O-N 3.28Å; R1982-N1994 HydrophobicContact CB-CB 4.46Å |
| 1983 | P | 87 | Confident | 87.8 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | trans | -64 | 150.4 | -173.8 | 29 | -37 | 0 | 0 | 0 | 111.1 | A1979 P1991 N1994 | A1979-P1983 VanDerWaalsContact O-CA 3.26Å; A1979-P1983 WeakPolarHBondContact O-CA 3.47Å; P1983-P1991 HydrophobicContact CB-CG 3.84Å; P1983-P1991 HydrophobicContact CG-CG 4.24Å; P1983-N1994 PolarHBondContact O-ND2 2.92Å | ||
| 1984 | A | 88 | Confident | 87.5 | Confident | 18 Ų | 18 | 64 Ų | 64 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | trans | -150.9 | 115 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1985 | G | 87.8 | Confident | 87.2 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | trans | -65.4 | 163.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1852 P1991 | R1852-G1985 WeakPolarHBondContact CD-O 3.46Å; R1852-G1985 VanDerWaalsContact NH1-N 3.19Å; R1852-G1985 PolarHBondContact NH1-O 3.39Å; G1985-P1991 PolarHBondContact N-O 3.48Å | ||
| 1986 | K | 90.9 | Very high | 87.1 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -71.5 | 158.9 | 168.7 | -71.3 | -171.4 | 176.4 | -169.3 | 0 | 109.5 | D1832 Q1834 V1854 R1988 E1989 | D1832-K1986 IonicContact OD1-NZ 2.73Å; D1832-K1986 PolarHBondContact OD1-NZ 2.94Å; D1832-K1986 IonicContact OD2-NZ 2.71Å; D1832-K1986 PolarHBondContact OD2-NZ 2.67Å; Q1834-K1986 VanDerWaalsContact NE2-CE 3.29Å; V1854-K1986 HydrophobicContact CB-CG 4.07Å; V1854-K1986 HydrophobicContact CG2-CG 4.18Å; K1986-R1988 PolarHBondContact O-N 3.41Å; K1986-E1989 WeakPolarHBondContact O-CB 3.48Å; K1986-E1989 PolarHBondContact O-N 3.13Å |
| 1987 | A | 90.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | 55.1 | -108.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | W1851 R1852 L1997 | W1851-A1987 HydrophobicContact CD2-CB 3.81Å; W1851-A1987 HydrophobicContact CE3-CB 4.18Å; W1851-A1987 HydrophobicContact CH2-CB 3.65Å; W1851-A1987 HydrophobicContact CZ2-CB 3.25Å; W1851-A1987 HydrophobicContact CZ3-CB 4.08Å; R1852-A1987 WeakPolarHBondContact CB-O 3.05Å; R1852-A1987 PolarHBondContact N-O 3.42Å; R1852-A1987 WeakPolarHBondContact O-CA 3.48Å; R1852-A1987 PolarHBondContact O-N 3.24Å; A1987-L1997 WeakPolarHBondContact O-CD1 3.44Å |
| 1988 | R | 90 | Very high | 87.5 | Confident | 66 Ų | 66 | 68 Ų | 68 | 25% | 0.249 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 17.8 | 174 | -74.8 | 169.7 | -83.9 | 160.8 | -13.5 | 110.6 | D1837 N1850 W1851 K1986 N1992 L1997 | D1837-R1988 IonicContact OD1-NH2 2.71Å; D1837-R1988 PolarHBondContact OD1-NH2 2.79Å; D1837-R1988 IonicContact OD2-CZ 2.81Å; D1837-R1988 IonicContact OD2-NH2 2.67Å; D1837-R1988 PolarHBondContact OD2-NH2 2.9Å; N1850-R1988 WeakPolarHBondContact O-CG 3.32Å; W1851-R1988 VanDerWaalsContact CZ3-NH2 3.33Å; K1986-R1988 PolarHBondContact O-N 3.41Å; R1988-N1992 PolarHBondContact O-ND2 2.96Å; R1988-L1997 HydrophobicContact CG-CB 3.92Å |
| 1989 | E | 89.2 | Confident | 87.3 | Confident | 127 Ų | 127 | 69.7 Ų | 69.7 | 59% | 0.593 | 36% | 0.363 | S | S | * | . | trans | -79.1 | 161.1 | -176.9 | -60 | 178.2 | 160.6 | 0 | 0 | 111.4 | K1986 P1991 N1992 | K1986-E1989 WeakPolarHBondContact O-CB 3.48Å; K1986-E1989 PolarHBondContact O-N 3.13Å; E1989-P1991 CarbonylContact O-C 3.41Å; E1989-P1991 VanDerWaalsContact O-C 3.3Å; E1989-N1992 PolarHBondContact O-N 3.17Å | ||
| 1990 | D | 83.3 | Confident | 87.2 | Confident | 148 Ų | 148 | 70.4 Ų | 70.4 | 79% | 0.791 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -72.3 | 139.1 | 179.2 | -77.8 | -46.4 | 0 | 0 | 0 | 112.9 | N1992 | D1990-N1992 PolarHBondContact OD1-N 2.89Š|
| 1991 | P | 84.8 | Confident | 86.9 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | S | Bend | cis | -77.1 | 114.9 | -0.5 | 28.1 | -30.4 | 0 | 0 | 0 | 112.2 | P1983 G1985 E1989 E1993 | P1983-P1991 HydrophobicContact CB-CG 3.84Å; P1983-P1991 HydrophobicContact CG-CG 4.24Å; G1985-P1991 PolarHBondContact N-O 3.48Å; E1989-P1991 CarbonylContact O-C 3.41Å; E1989-P1991 VanDerWaalsContact O-C 3.3Å; P1991-E1993 PolarHBondContact O-N 2.95Å |
| 1992 | N | 88.9 | Confident | 86.8 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | trans | -83.6 | 62.7 | 177.8 | -171.8 | 1.6 | 0 | 0 | 0 | 109.6 | R1988 E1989 D1990 H1996 L1997 | R1988-N1992 PolarHBondContact O-ND2 2.96Å; E1989-N1992 PolarHBondContact O-N 3.17Å; D1990-N1992 PolarHBondContact OD1-N 2.89Å; N1992-H1996 WeakPolarHBondContact O-CA 3.42Å; N1992-H1996 PolarHBondContact O-ND1 3.05Å; N1992-L1997 PolarHBondContact ND2-O 2.9Å; N1992-L1997 PolarHBondContact OD1-N 2.85Å | ||
| 1993 | E | 84.8 | Confident | 86 | Confident | 110 Ų | 110 | 68.3 Ų | 68.3 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | trans | -127.7 | 165.9 | -178.5 | -84.3 | -70.2 | 176.5 | 0 | 0 | 109.3 | R1852 P1991 | R1852-E1993 PolarHBondContact NH2-O 2.84Å; P1991-E1993 PolarHBondContact O-N 2.95Å | ||
| 1994 | N | 85.3 | Confident | 85.1 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 55.5 | 61.2 | 171.9 | -56.4 | -69.9 | 0 | 0 | 0 | 116.6 | R1982 P1983 | R1982-N1994 HydrophobicContact CB-CB 4.46Å; P1983-N1994 PolarHBondContact O-ND2 2.92Å |
| 1995 | P | 84.7 | Confident | 84.2 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 26% | 0.26 | 37% | 0.368 | S | S | . | . | S | Bend | cis | -93.7 | 156.5 | -6.4 | 36.4 | -33.2 | 0 | 0 | 0 | 111.6 | V1799 R1852 L1997 | V1799-P1995 HydrophobicContact CG2-CG 4.44Å; R1852-P1995 PolarHBondContact NH2-O 2.79Å; P1995-L1997 HydrophobicContact CG-CD2 4.23Å; P1995-L1997 PolarHBondContact O-N 2.79Å |
| 1996 | H | 87.2 | Confident | 83.4 | Confident | 119 Ų | 119 | 73.1 Ų | 73.1 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | trans | -61.1 | 125.7 | 173.3 | -174 | 75.2 | 0 | 0 | 0 | 111.6 | N1992 | N1992-H1996 WeakPolarHBondContact O-CA 3.42Å; N1992-H1996 PolarHBondContact O-ND1 3.05Å | ||
| 1997 | L | 90.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | trans | -107 | 102.6 | -177.6 | -63.6 | 178.7 | 0 | 0 | 0 | 111 | V1799 W1801 R1852 A1987 R1988 N1992 P1995 | V1799-L1997 HydrophobicContact CG1-CD1 4.24Å; V1799-L1997 HydrophobicContact CG1-CD2 3.8Å; V1799-L1997 HydrophobicContact CG2-CD1 4.48Å; W1801-L1997 HydrophobicContact CH2-CD2 3.54Å; W1801-L1997 HydrophobicContact CZ2-CD2 4.18Å; W1801-L1997 HydrophobicContact CZ3-CD2 3.87Å; R1852-L1997 HydrophobicContact CB-CD1 3.81Å; A1987-L1997 WeakPolarHBondContact O-CD1 3.44Å; R1988-L1997 HydrophobicContact CG-CB 3.92Å; N1992-L1997 PolarHBondContact ND2-O 2.9Å; N1992-L1997 PolarHBondContact OD1-N 2.85Å; P1995-L1997 HydrophobicContact CG-CD2 4.23Å; P1995-L1997 PolarHBondContact O-N 2.79Å | ||
| 1998 | E | 87.2 | Confident | 81.3 | Confident | 104 Ų | 104 | 71.2 Ų | 71.2 | 49% | 0.486 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 148.4 | 167.8 | -70.8 | -175.1 | -177.2 | 0 | 0 | 110.9 | N1850 K2001 | N1850-E1998 WeakPolarHBondContact CB-O 3.46Å; N1850-E1998 PolarHBondContact ND2-O 3.4Å; E1998-K2001 IonicContact OE2-NZ 3.18Å; E1998-K2001 PolarHBondContact OE2-NZ 2.85Å |
| 1999 | P | 83.9 | Confident | 80.1 | Confident | 91 Ų | 91 | 73.7 Ų | 73.7 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 141.9 | 167.5 | -24.9 | 34.5 | 0 | 0 | 0 | 112.5 | ||
| 2000 | P | 85.3 | Confident | 78.9 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 139.3 | -174.6 | 27 | -34.3 | 0 | 0 | 0 | 112 | N1848 R2002 | N1848-P2000 HydrophobicContact CB-CB 4.13Å; N1848-P2000 WeakPolarHBondContact O-CB 3.2Å; P2000-R2002 HydrophobicContact CB-CG 4.24Å; P2000-R2002 HydrophobicContact CG-CG 4.29Å; P2000-R2002 PolarHBondContact O-N 2.91Å |
| 2001 | K | 80.1 | Confident | 78 | Confident | 173 Ų | 173 | 72.6 Ų | 72.6 | 75% | 0.752 | 37% | 0.366 | S | S | * | . | trans | -79.2 | 63.1 | -179.8 | -70.1 | 173.3 | -177.5 | 157 | 0 | 111.5 | E1998 | E1998-K2001 IonicContact OE2-NZ 3.18Å; E1998-K2001 PolarHBondContact OE2-NZ 2.85Å | ||
| 2002 | R | 82.7 | Confident | 77.1 | Confident | 55 Ų | 55 | 71.2 Ų | 71.2 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | trans | -73 | 150.8 | 177.1 | -62.9 | 179.6 | -179.6 | 147.3 | 10.2 | 111.1 | D1837 V1838 N1848 P2000 | D1837-R2002 IonicContact OD1-CZ 2.71Å; D1837-R2002 IonicContact OD1-NH1 3.14Å; D1837-R2002 IonicContact OD1-NH2 3.92Å; D1837-R2002 PolarHBondContact OD1-NH2 2.65Å; D1837-R2002 IonicContact OD2-CZ 2.83Å; D1837-R2002 IonicContact OD2-NH1 3.19Å; D1837-R2002 PolarHBondContact OD2-NH1 3.34Å; D1837-R2002 IonicContact OD2-NH2 3.95Å; D1837-R2002 PolarHBondContact OD2-NH2 3.02Å; D1837-R2002 VanDerWaalsContact OD2-NH2 3.09Å; V1838-R2002 PolarHBondContact O-NH1 2.87Å; V1838-R2002 VanDerWaalsContact O-NH1 3.08Å; N1848-R2002 HydrophobicContact CB-CG 4.28Å; N1848-R2002 PolarHBondContact O-NE 2.83Å; N1848-R2002 PolarHBondContact O-NH2 3.12Å; P2000-R2002 HydrophobicContact CB-CG 4.24Å; P2000-R2002 HydrophobicContact CG-CG 4.29Å; P2000-R2002 PolarHBondContact O-N 2.91Å | ||
| 2003 | P | 73.3 | Confident | 76 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 46% | 0.461 | 38% | 0.38 | S | S | . | . | trans | -55.9 | 150.4 | 171.8 | -24.9 | 35 | 0 | 0 | 0 | 112.7 | T2005 S2006 | P2003-T2005 WeakPolarHBondContact CB-OG1 3.24Å; P2003-T2005 PolarHBondContact O-N 3.16Å; P2003-S2006 WeakPolarHBondContact O-CB 3.31Å; P2003-S2006 PolarHBondContact O-N 2.84Å | ||
| 2004 | E | 69.7 | Low | 75.2 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 60% | 0.603 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.9 | 175 | -68.5 | -164 | 133.6 | 0 | 0 | 113.9 | F2007 F2019 | E2004-F2007 WeakPolarHBondContact O-CD1 3.34Å; E2004-F2007 WeakPolarHBondContact O-CE1 3.21Å; E2004-F2019 HydrophobicContact CB-CE1 4.42Å; E2004-F2019 HydrophobicContact CB-CE2 4.33Å; E2004-F2019 HydrophobicContact CB-CZ 4.04Å; E2004-F2019 WeakPolarHBondContact OE2-CE1 3.25Å; E2004-F2019 WeakPolarHBondContact OE2-CZ 3.14Å |
| 2005 | T | 67.9 | Low | 74.3 | Confident | 42 Ų | 42 | 81.6 Ų | 81.6 | 26% | 0.258 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.5 | 172.2 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | P2003 F2007 F2019 | P2003-T2005 WeakPolarHBondContact CB-OG1 3.24Å; P2003-T2005 PolarHBondContact O-N 3.16Å; T2005-F2007 PolarHBondContact O-N 2.62Å; T2005-F2019 HydrophobicContact CG2-CB 3.91Å; T2005-F2019 HydrophobicContact CG2-CG 4.4Å |
| 2006 | S | 71.1 | Confident | 73.3 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | trans | -84.9 | 94.4 | 176.9 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | H1839 Y1840 P2003 | H1839-S2006 PolarHBondContact CD2-OG 2.74Å; Y1840-S2006 WeakPolarHBondContact O-CA 3.47Å; Y1840-S2006 VanDerWaalsContact O-CB 3.27Å; Y1840-S2006 WeakPolarHBondContact O-CB 3.2Å; Y1840-S2006 PolarHBondContact O-OG 3.45Å; P2003-S2006 WeakPolarHBondContact O-CB 3.31Å; P2003-S2006 PolarHBondContact O-N 2.84Å | ||
| 2007 | F | 69.5 | Low | 72.3 | Confident | 18 Ų | 18 | 78.3 Ų | 78.3 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -162.6 | 150.4 | 173.9 | 55 | -92.7 | 0 | 0 | 0 | 109.2 | E2004 T2005 W2009 S2012 K2015 T2016 I2020 | E2004-F2007 WeakPolarHBondContact O-CD1 3.34Å; E2004-F2007 WeakPolarHBondContact O-CE1 3.21Å; T2005-F2007 PolarHBondContact O-N 2.62Å; F2007-W2009 PolarHBondContact O-N 3.36Å; F2007-W2009 VanDerWaalsContact O-N 3.11Å; F2007-S2012 WeakPolarHBondContact CD2-OG 3.36Å; F2007-S2012 WeakPolarHBondContact CG-OG 3.26Å; F2007-K2015 HydrophobicContact CD1-CB 4.08Å; F2007-K2015 HydrophobicContact CD1-CD 3.76Å; F2007-K2015 HydrophobicContact CD2-CB 4.38Å; F2007-K2015 HydrophobicContact CE1-CB 3.46Å; F2007-K2015 VanDerWaalsContact CE1-CB 3.46Å; F2007-K2015 HydrophobicContact CE1-CD 3.93Å; F2007-K2015 HydrophobicContact CE1-CG 4.35Å; F2007-K2015 HydrophobicContact CE2-CB 3.84Å; F2007-K2015 HydrophobicContact CG-CD 4.23Å; F2007-K2015 VanDerWaalsContact CZ-C 3.5Å; F2007-K2015 HydrophobicContact CZ-CB 3.36Å; F2007-T2016 WeakPolarHBondContact CE2-OG1 3.05Å; F2007-I2020 HydrophobicContact CZ-CD1 4.4Å |
| 2008 | L | 68.3 | Low | 71.2 | Confident | 34 Ų | 34 | 84.2 Ų | 84.2 | 18% | 0.178 | 41% | 0.408 | C | S | . | . | trans | -64.9 | 113.6 | 171.4 | -162.1 | 85.6 | 0 | 0 | 0 | 109 | Y1840 L1897 F2010 T2011 | Y1840-L2008 HydrophobicContact CD1-CD1 3.77Å; Y1840-L2008 HydrophobicContact CE1-CD1 3.32Å; Y1840-L2008 HydrophobicContact CE2-CB 4.46Å; L1897-L2008 HydrophobicContact CD1-CD1 4.33Å; L1897-L2008 HydrophobicContact CD1-CD2 4.1Å; L1897-L2008 HydrophobicContact CD2-CD1 4.49Å; L1897-L2008 HydrophobicContact CD2-CD2 4.38Å; L2008-F2010 PolarHBondContact O-N 3.04Å; L2008-T2011 HydrophobicContact CB-CG2 4.01Å; L2008-T2011 HydrophobicContact CD2-CG2 3.9Å; L2008-T2011 HydrophobicContact CG-CG2 4.49Å; L2008-T2011 PolarHBondContact O-N 2.65Å; L2008-T2011 PolarHBondContact O-OG1 2.93Å | ||
| 2009 | W | 63.5 | Low | 70 | Confident | 119 Ų | 119 | 81.4 Ų | 81.4 | 45% | 0.451 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.7 | -165.6 | 72.4 | -82.2 | 0 | 0 | 0 | 115.2 | I1813 F2007 T2016 | I1813-W2009 HydrophobicContact CD1-CZ2 4.46Å; F2007-W2009 PolarHBondContact O-N 3.36Å; F2007-W2009 VanDerWaalsContact O-N 3.11Å; W2009-T2016 HydrophobicContact CB-CG2 4.28Å; W2009-T2016 HydrophobicContact CE3-CG2 4.16Å; W2009-T2016 PolarHBondContact O-OG1 2.8Å |
| 2010 | F | 65.1 | Low | 69 | Low | 152 Ų | 152 | 78.3 Ų | 78.3 | 67% | 0.667 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -26 | 177 | -147.6 | -91.9 | 0 | 0 | 0 | 113.4 | L2008 | L2008-F2010 PolarHBondContact O-N 3.04Š|
| 2011 | T | 64.4 | Low | 68.1 | Low | 99 Ų | 99 | 80.4 Ų | 80.4 | 61% | 0.607 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -23.6 | -177.1 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | L2008 | L2008-T2011 HydrophobicContact CB-CG2 4.01Å; L2008-T2011 HydrophobicContact CD2-CG2 3.9Å; L2008-T2011 HydrophobicContact CG-CG2 4.49Å; L2008-T2011 PolarHBondContact O-N 2.65Å; L2008-T2011 PolarHBondContact O-OG1 2.93Å |
| 2012 | S | 65.9 | Low | 67.4 | Low | 28 Ų | 28 | 77 Ų | 77 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | trans | -137.7 | 62.9 | -172.6 | 37 | 0 | 0 | 0 | 0 | 112.3 | F2007 W2014 K2015 T2016 | F2007-S2012 WeakPolarHBondContact CD2-OG 3.36Å; F2007-S2012 WeakPolarHBondContact CG-OG 3.26Å; S2012-W2014 PolarHBondContact O-N 2.66Å; S2012-K2015 WeakPolarHBondContact O-CA 3.4Å; S2012-K2015 WeakPolarHBondContact O-CB 3.49Å; S2012-K2015 PolarHBondContact O-N 3.3Å; S2012-T2016 PolarHBondContact O-N 3.23Å; S2012-T2016 VanDerWaalsContact O-N 3.12Å; S2012-T2016 PolarHBondContact O-OG1 2.83Å | ||
| 2013 | P | 65.2 | Low | 66.4 | Low | 85 Ų | 85 | 82.6 Ų | 82.6 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.2 | -26.2 | -172 | 20.5 | -33.5 | 0 | 0 | 0 | 114.9 | T2016 F2017 | P2013-T2016 WeakPolarHBondContact O-CB 3.43Å; P2013-T2016 PolarHBondContact O-N 3.44Å; P2013-F2017 PolarHBondContact O-N 2.95Å |
| 2014 | W | 68.8 | Low | 65.9 | Low | 216 Ų | 216 | 84.6 Ų | 84.6 | 82% | 0.818 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71.6 | -34.9 | 174 | -117.3 | -147.6 | 0 | 0 | 0 | 113.6 | S2012 K2018 | S2012-W2014 PolarHBondContact O-N 2.66Å; W2014-K2018 WeakPolarHBondContact O-CB 3.16Å; W2014-K2018 PolarHBondContact O-N 2.98Å |
| 2015 | K | 66.1 | Low | 65.8 | Low | 94 Ų | 94 | 82.9 Ų | 82.9 | 41% | 0.409 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.9 | -43 | 169.3 | -66.8 | -170.8 | 175.8 | -175.7 | 0 | 110 | F2007 S2012 F2017 K2018 F2019 | F2007-K2015 HydrophobicContact CD1-CB 4.08Å; F2007-K2015 HydrophobicContact CD1-CD 3.76Å; F2007-K2015 HydrophobicContact CD2-CB 4.38Å; F2007-K2015 HydrophobicContact CE1-CB 3.46Å; F2007-K2015 VanDerWaalsContact CE1-CB 3.46Å; F2007-K2015 HydrophobicContact CE1-CD 3.93Å; F2007-K2015 HydrophobicContact CE1-CG 4.35Å; F2007-K2015 HydrophobicContact CE2-CB 3.84Å; F2007-K2015 HydrophobicContact CG-CD 4.23Å; F2007-K2015 VanDerWaalsContact CZ-C 3.5Å; F2007-K2015 HydrophobicContact CZ-CB 3.36Å; S2012-K2015 WeakPolarHBondContact O-CA 3.4Å; S2012-K2015 WeakPolarHBondContact O-CB 3.49Å; S2012-K2015 PolarHBondContact O-N 3.3Å; K2015-F2017 VanDerWaalsContact C-N 3.34Å; K2015-F2017 PolarHBondContact O-N 3.39Å; K2015-K2018 PolarHBondContact O-N 2.97Å; K2015-F2019 HydrophobicContact CB-CD2 4.01Å; K2015-F2019 HydrophobicContact CB-CE2 4.29Å; K2015-F2019 HydrophobicContact CG-CE2 4.29Å; K2015-F2019 WeakPolarHBondContact O-CB 2.96Å; K2015-F2019 VanDerWaalsContact O-CD2 3.31Å; K2015-F2019 WeakPolarHBondContact O-CD2 3.44Å; K2015-F2019 PolarHBondContact O-N 2.94Å |
| 2016 | T | 63.2 | Low | 65.5 | Low | 14 Ų | 14 | 85 Ų | 85 | 9% | 0.086 | 39% | 0.39 | C | S | . | . | I | π-helix | trans | -52 | -50.9 | 173.7 | -48.2 | 0 | 0 | 0 | 0 | 111.1 | F2007 W2009 S2012 P2013 I2020 I2021 | F2007-T2016 WeakPolarHBondContact CE2-OG1 3.05Å; W2009-T2016 HydrophobicContact CB-CG2 4.28Å; W2009-T2016 HydrophobicContact CE3-CG2 4.16Å; W2009-T2016 PolarHBondContact O-OG1 2.8Å; S2012-T2016 PolarHBondContact O-N 3.23Å; S2012-T2016 VanDerWaalsContact O-N 3.12Å; S2012-T2016 PolarHBondContact O-OG1 2.83Å; P2013-T2016 WeakPolarHBondContact O-CB 3.43Å; P2013-T2016 PolarHBondContact O-N 3.44Å; T2016-I2020 HydrophobicContact CG2-CD1 4.06Å; T2016-I2020 WeakPolarHBondContact O-CA 3.44Å; T2016-I2020 WeakPolarHBondContact O-CB 3.28Å; T2016-I2020 PolarHBondContact O-N 3.26Å; T2016-I2021 PolarHBondContact O-N 2.83Å |
| 2017 | F | 67.3 | Low | 65.5 | Low | 76 Ų | 76 | 92.9 Ų | 92.9 | 33% | 0.333 | 42% | 0.417 | S | S | . | . | I | π-helix | trans | -63.8 | -51.2 | 178.2 | -175.1 | -98.7 | 0 | 0 | 0 | 112.5 | P2013 K2015 I2021 W2022 I2029 | P2013-F2017 PolarHBondContact O-N 2.95Å; K2015-F2017 VanDerWaalsContact C-N 3.34Å; K2015-F2017 PolarHBondContact O-N 3.39Å; F2017-I2021 HydrophobicContact CD2-CB 4.04Å; F2017-I2021 HydrophobicContact CD2-CD1 4.12Å; F2017-I2021 HydrophobicContact CD2-CG2 4.02Å; F2017-I2021 HydrophobicContact CE2-CG2 4.07Å; F2017-I2021 PolarHBondContact O-N 3.11Å; F2017-W2022 AromaticContact CE1-CE3 3.73Å; F2017-W2022 HydrophobicContact CE1-CE3 3.73Å; F2017-W2022 HydrophobicContact CE1-CZ3 4.38Å; F2017-W2022 AromaticContact CZ-CE3 3.72Å; F2017-W2022 HydrophobicContact CZ-CE3 3.72Å; F2017-W2022 HydrophobicContact CZ-CZ3 4.27Å; F2017-W2022 VanDerWaalsContact O-CB 3.3Å; F2017-W2022 WeakPolarHBondContact O-CB 3.29Å; F2017-W2022 PolarHBondContact O-N 2.98Å; F2017-I2029 HydrophobicContact CE2-CD1 4.45Å; F2017-I2029 HydrophobicContact CZ-CD1 4.42Å |
| 2018 | K | 66.3 | Low | 65.6 | Low | 125 Ų | 125 | 96.5 Ų | 96.5 | 54% | 0.543 | 44% | 0.44 | S | S | . | . | I | π-helix | trans | -62.1 | -46.4 | -176.3 | -178.9 | -175 | 172.6 | -164.9 | 0 | 113.1 | W2014 K2015 | W2014-K2018 WeakPolarHBondContact O-CB 3.16Å; W2014-K2018 PolarHBondContact O-N 2.98Å; K2015-K2018 PolarHBondContact O-N 2.97Å |
| 2019 | F | 63.2 | Low | 65.8 | Low | 46 Ų | 46 | 96.5 Ų | 96.5 | 20% | 0.202 | 44% | 0.44 | C | S | . | . | I | π-helix | trans | -96 | -27.9 | -169.7 | -63.7 | -71.2 | 0 | 0 | 0 | 114.1 | E2004 T2005 K2015 K2023 | E2004-F2019 HydrophobicContact CB-CE1 4.42Å; E2004-F2019 HydrophobicContact CB-CE2 4.33Å; E2004-F2019 HydrophobicContact CB-CZ 4.04Å; E2004-F2019 WeakPolarHBondContact OE2-CE1 3.25Å; E2004-F2019 WeakPolarHBondContact OE2-CZ 3.14Å; T2005-F2019 HydrophobicContact CG2-CB 3.91Å; T2005-F2019 HydrophobicContact CG2-CG 4.4Å; K2015-F2019 HydrophobicContact CB-CD2 4.01Å; K2015-F2019 HydrophobicContact CB-CE2 4.29Å; K2015-F2019 HydrophobicContact CG-CE2 4.29Å; K2015-F2019 WeakPolarHBondContact O-CB 2.96Å; K2015-F2019 VanDerWaalsContact O-CD2 3.31Å; K2015-F2019 WeakPolarHBondContact O-CD2 3.44Å; K2015-F2019 PolarHBondContact O-N 2.94Å; F2019-K2023 WeakPolarHBondContact O-CB 2.96Å |
| 2020 | I | 62.7 | Low | 66.3 | Low | 25 Ų | 25 | 93.2 Ų | 93.2 | 13% | 0.128 | 43% | 0.431 | C | S | . | . | I | π-helix | trans | -103.8 | -60.8 | -175.2 | -45.3 | -179.9 | 0 | 0 | 0 | 110.2 | T1814 F2007 T2016 | T1814-I2020 HydrophobicContact CG2-CG2 4.2Å; F2007-I2020 HydrophobicContact CZ-CD1 4.4Å; T2016-I2020 HydrophobicContact CG2-CD1 4.06Å; T2016-I2020 WeakPolarHBondContact O-CA 3.44Å; T2016-I2020 WeakPolarHBondContact O-CB 3.28Å; T2016-I2020 PolarHBondContact O-N 3.26Å |
| 2021 | I | 65.7 | Low | 66.8 | Low | 65 Ų | 65 | 87.7 Ų | 87.7 | 33% | 0.333 | 42% | 0.417 | S | S | . | . | I | π-helix | trans | -71.2 | -53.8 | -172 | -57.9 | 176.8 | 0 | 0 | 0 | 111 | T2016 F2017 K2023 M2025 I2029 | T2016-I2021 PolarHBondContact O-N 2.83Å; F2017-I2021 HydrophobicContact CD2-CB 4.04Å; F2017-I2021 HydrophobicContact CD2-CD1 4.12Å; F2017-I2021 HydrophobicContact CD2-CG2 4.02Å; F2017-I2021 HydrophobicContact CE2-CG2 4.07Å; F2017-I2021 PolarHBondContact O-N 3.11Å; I2021-K2023 VanDerWaalsContact C-N 3.34Å; I2021-K2023 PolarHBondContact O-N 2.91Å; I2021-M2025 HydrophobicContact CG2-CE 3.81Å; I2021-M2025 WeakPolarHBondContact O-CB 3.28Å; I2021-M2025 PolarHBondContact O-N 3.15Å; I2021-I2029 HydrophobicContact CG2-CD1 4.21Å |
| 2022 | W | 65.5 | Low | 67.5 | Low | 101 Ų | 101 | 88 Ų | 88 | 38% | 0.383 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | -176.2 | -173.1 | -94.3 | 0 | 0 | 0 | 112.6 | F2017 K2024 K2026 I2029 | F2017-W2022 AromaticContact CE1-CE3 3.73Å; F2017-W2022 HydrophobicContact CE1-CE3 3.73Å; F2017-W2022 HydrophobicContact CE1-CZ3 4.38Å; F2017-W2022 AromaticContact CZ-CE3 3.72Å; F2017-W2022 HydrophobicContact CZ-CE3 3.72Å; F2017-W2022 HydrophobicContact CZ-CZ3 4.27Å; F2017-W2022 VanDerWaalsContact O-CB 3.3Å; F2017-W2022 WeakPolarHBondContact O-CB 3.29Å; F2017-W2022 PolarHBondContact O-N 2.98Å; W2022-K2024 PolarHBondContact O-N 3.04Å; W2022-K2026 VanDerWaalsContact O-CA 3.29Å; W2022-K2026 WeakPolarHBondContact O-CA 3.22Å; W2022-K2026 WeakPolarHBondContact O-CB 3.17Å; W2022-K2026 PolarHBondContact O-N 3.36Å; W2022-I2029 HydrophobicContact CE3-CD1 4.03Å; W2022-I2029 HydrophobicContact CE3-CG2 4.28Å; W2022-I2029 HydrophobicContact CZ3-CB 4.49Å; W2022-I2029 HydrophobicContact CZ3-CG2 3.74Å |
| 2023 | K | 62.3 | Low | 68 | Low | 173 Ų | 173 | 90.8 Ų | 90.8 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.5 | -38.2 | -174.7 | -156.8 | -178.3 | -176.1 | -173.1 | 0 | 112.8 | F2019 I2021 | F2019-K2023 WeakPolarHBondContact O-CB 2.96Å; I2021-K2023 VanDerWaalsContact C-N 3.34Å; I2021-K2023 PolarHBondContact O-N 2.91Å |
| 2024 | K | 62.4 | Low | 68.7 | Low | 113 Ų | 113 | 91 Ų | 91 | 49% | 0.491 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -89.9 | -41.5 | 176 | -72.5 | -175.1 | 177.2 | 178 | 0 | 113 | T1814 E1816 W2022 | T1814-K2024 HydrophobicContact CG2-CD 4.45Å; T1814-K2024 PolarHBondContact OG1-NZ 3.29Å; E1816-K2024 VanDerWaalsContact OE1-CE 3.28Å; E1816-K2024 WeakPolarHBondContact OE1-CE 3.4Å; E1816-K2024 IonicContact OE1-NZ 2.75Å; E1816-K2024 PolarHBondContact OE1-NZ 3.2Å; E1816-K2024 IonicContact OE2-NZ 2.86Å; W2022-K2024 PolarHBondContact O-N 3.04Å |
| 2025 | M | 66.7 | Low | 69.2 | Low | 94 Ų | 94 | 88.5 Ų | 88.5 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -96.4 | 7.2 | -174.6 | -62.2 | -152.3 | -68.1 | 0 | 0 | 115.2 | I2021 W2027 V2028 I2029 | I2021-M2025 HydrophobicContact CG2-CE 3.81Å; I2021-M2025 WeakPolarHBondContact O-CB 3.28Å; I2021-M2025 PolarHBondContact O-N 3.15Å; M2025-W2027 VanDerWaalsContact C-N 3.28Å; M2025-W2027 PolarHBondContact O-N 2.78Å; M2025-W2027 VanDerWaalsContact O-N 3.08Å; M2025-V2028 HydrophobicContact CB-CB 4.41Å; M2025-V2028 WeakPolarHBondContact O-CA 3.28Å; M2025-V2028 WeakPolarHBondContact O-CB 3.43Å; M2025-V2028 PolarHBondContact O-N 2.85Å; M2025-I2029 HydrophobicContact CB-CD1 3.99Å; M2025-I2029 HydrophobicContact CB-CG1 4.19Å; M2025-I2029 WeakPolarHBondContact O-CG1 3.36Å; M2025-I2029 PolarHBondContact O-N 2.9Å |
| 2026 | K | 62.3 | Low | 69.8 | Low | 85 Ų | 85 | 89.1 Ų | 89.1 | 37% | 0.37 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -38 | -53.1 | 178.1 | 148.2 | 177.5 | 169.6 | 179.4 | 0 | 113.7 | W2022 I2029 I2030 | W2022-K2026 VanDerWaalsContact O-CA 3.29Å; W2022-K2026 WeakPolarHBondContact O-CA 3.22Å; W2022-K2026 WeakPolarHBondContact O-CB 3.17Å; W2022-K2026 PolarHBondContact O-N 3.36Å; K2026-I2029 PolarHBondContact O-N 2.88Å; K2026-I2030 HydrophobicContact CG-CD1 3.86Å; K2026-I2030 WeakPolarHBondContact O-CB 3.28Å; K2026-I2030 WeakPolarHBondContact O-CG1 3.35Å; K2026-I2030 PolarHBondContact O-N 3.37Å |
| 2027 | W | 70.8 | Confident | 70.6 | Confident | 189 Ų | 189 | 93.1 Ų | 93.1 | 72% | 0.716 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -75.5 | -29.8 | -174.7 | -69.1 | 114.4 | 0 | 0 | 0 | 112.7 | M2025 G2031 | M2025-W2027 VanDerWaalsContact C-N 3.28Å; M2025-W2027 PolarHBondContact O-N 2.78Å; M2025-W2027 VanDerWaalsContact O-N 3.08Å; W2027-G2031 PolarHBondContact O-N 3.09Å |
| 2028 | V | 71.6 | Confident | 71.2 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 56% | 0.564 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.3 | -46.4 | 171.9 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | M2025 G2031 L2032 | M2025-V2028 HydrophobicContact CB-CB 4.41Å; M2025-V2028 WeakPolarHBondContact O-CA 3.28Å; M2025-V2028 WeakPolarHBondContact O-CB 3.43Å; M2025-V2028 PolarHBondContact O-N 2.85Å; V2028-G2031 PolarHBondContact O-N 2.92Å; V2028-L2032 WeakPolarHBondContact O-CB 3.28Å; V2028-L2032 PolarHBondContact O-N 3.29Å |
| 2029 | I | 72.1 | Confident | 71.9 | Confident | 34 Ų | 34 | 89.2 Ų | 89.2 | 17% | 0.174 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.3 | -46 | 179.1 | -62.7 | 164.1 | 0 | 0 | 0 | 111.2 | F2017 I2021 W2022 M2025 K2026 G2031 L2032 L2033 | F2017-I2029 HydrophobicContact CE2-CD1 4.45Å; F2017-I2029 HydrophobicContact CZ-CD1 4.42Å; I2021-I2029 HydrophobicContact CG2-CD1 4.21Å; W2022-I2029 HydrophobicContact CE3-CD1 4.03Å; W2022-I2029 HydrophobicContact CE3-CG2 4.28Å; W2022-I2029 HydrophobicContact CZ3-CB 4.49Å; W2022-I2029 HydrophobicContact CZ3-CG2 3.74Å; M2025-I2029 HydrophobicContact CB-CD1 3.99Å; M2025-I2029 HydrophobicContact CB-CG1 4.19Å; M2025-I2029 WeakPolarHBondContact O-CG1 3.36Å; M2025-I2029 PolarHBondContact O-N 2.9Å; K2026-I2029 PolarHBondContact O-N 2.88Å; I2029-G2031 VanDerWaalsContact C-N 3.35Å; I2029-L2032 PolarHBondContact O-N 2.97Å; I2029-L2033 HydrophobicContact CG2-CD1 4.29Å; I2029-L2033 WeakPolarHBondContact O-CB 3.22Å; I2029-L2033 PolarHBondContact O-N 3.36Å |
| 2030 | I | 75.1 | Confident | 72.7 | Confident | 50 Ų | 50 | 92.3 Ų | 92.3 | 26% | 0.256 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.1 | -69.5 | 170.8 | 0 | 0 | 0 | 110.6 | K2026 L2033 I2034 | K2026-I2030 HydrophobicContact CG-CD1 3.86Å; K2026-I2030 WeakPolarHBondContact O-CB 3.28Å; K2026-I2030 WeakPolarHBondContact O-CG1 3.35Å; K2026-I2030 PolarHBondContact O-N 3.37Å; I2030-L2033 PolarHBondContact O-N 3.27Å; I2030-I2034 HydrophobicContact CG2-CD1 3.7Å; I2030-I2034 HydrophobicContact CG2-CG1 4.3Å; I2030-I2034 WeakPolarHBondContact O-CB 3.46Å; I2030-I2034 VanDerWaalsContact O-CG1 3.3Å; I2030-I2034 WeakPolarHBondContact O-CG1 3.02Å; I2030-I2034 PolarHBondContact O-N 2.95Å |
| 2031 | G | 75.3 | Confident | 73.4 | Confident | 36 Ų | 36 | 96 Ų | 96 | 37% | 0.371 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W2027 V2028 I2029 I2034 F2035 | W2027-G2031 PolarHBondContact O-N 3.09Å; V2028-G2031 PolarHBondContact O-N 2.92Å; I2029-G2031 VanDerWaalsContact C-N 3.35Å; G2031-I2034 PolarHBondContact O-N 3.09Å; G2031-F2035 VanDerWaalsContact O-CB 3.28Å; G2031-F2035 WeakPolarHBondContact O-CB 3.44Å; G2031-F2035 PolarHBondContact O-N 3.06Å |
| 2032 | L | 78.2 | Confident | 74 | Confident | 106 Ų | 106 | 97.8 Ų | 97.8 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 175 | -123.2 | 161.3 | 0 | 0 | 0 | 112 | V2028 I2029 F2035 L2036 | V2028-L2032 WeakPolarHBondContact O-CB 3.28Å; V2028-L2032 PolarHBondContact O-N 3.29Å; I2029-L2032 PolarHBondContact O-N 2.97Å; L2032-F2035 PolarHBondContact O-N 2.99Å; L2032-L2036 HydrophobicContact CD2-CD1 4.27Å; L2032-L2036 WeakPolarHBondContact O-CB 3.41Å; L2032-L2036 WeakPolarHBondContact O-CG 3.25Å; L2032-L2036 PolarHBondContact O-N 2.83Å |
| 2033 | L | 78 | Confident | 74.7 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 174.7 | -90.4 | 161.9 | 0 | 0 | 0 | 112.6 | I2029 I2030 L2036 I2037 | I2029-L2033 HydrophobicContact CG2-CD1 4.29Å; I2029-L2033 WeakPolarHBondContact O-CB 3.22Å; I2029-L2033 PolarHBondContact O-N 3.36Å; I2030-L2033 PolarHBondContact O-N 3.27Å; L2033-L2036 PolarHBondContact O-N 2.89Å; L2033-I2037 WeakPolarHBondContact O-CB 3.45Å; L2033-I2037 WeakPolarHBondContact O-CD1 3.3Å; L2033-I2037 VanDerWaalsContact O-CG1 3.24Å; L2033-I2037 WeakPolarHBondContact O-CG1 3.31Å; L2033-I2037 PolarHBondContact O-N 2.84Å |
| 2034 | I | 78.2 | Confident | 75.2 | Confident | 89 Ų | 89 | 94.1 Ų | 94.1 | 46% | 0.456 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176 | -70.4 | 169.6 | 0 | 0 | 0 | 110.2 | I2030 G2031 L2036 I2037 I2038 | I2030-I2034 HydrophobicContact CG2-CD1 3.7Å; I2030-I2034 HydrophobicContact CG2-CG1 4.3Å; I2030-I2034 WeakPolarHBondContact O-CB 3.46Å; I2030-I2034 VanDerWaalsContact O-CG1 3.3Å; I2030-I2034 WeakPolarHBondContact O-CG1 3.02Å; I2030-I2034 PolarHBondContact O-N 2.95Å; G2031-I2034 PolarHBondContact O-N 3.09Å; I2034-L2036 PolarHBondContact O-N 2.88Å; I2034-I2037 PolarHBondContact O-N 2.83Å; I2034-I2038 HydrophobicContact CG2-CD1 3.68Å; I2034-I2038 HydrophobicContact CG2-CG1 4.31Å; I2034-I2038 WeakPolarHBondContact O-CB 3.49Å; I2034-I2038 VanDerWaalsContact O-CG1 3.3Å; I2034-I2038 WeakPolarHBondContact O-CG1 3.31Å; I2034-I2038 PolarHBondContact O-N 2.74Å |
| 2035 | F | 79.9 | Confident | 75.7 | Confident | 164 Ų | 164 | 95.5 Ų | 95.5 | 72% | 0.719 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 176.4 | -168.6 | -94.1 | 0 | 0 | 0 | 111.7 | G2031 L2032 I2038 G2039 | G2031-F2035 VanDerWaalsContact O-CB 3.28Å; G2031-F2035 WeakPolarHBondContact O-CB 3.44Å; G2031-F2035 PolarHBondContact O-N 3.06Å; L2032-F2035 PolarHBondContact O-N 2.99Å; F2035-I2038 PolarHBondContact O-N 2.69Å; F2035-G2039 PolarHBondContact O-N 2.88Å |
| 2036 | L | 79.8 | Confident | 75.8 | Confident | 107 Ų | 107 | 95.4 Ų | 95.4 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.8 | -44.9 | 171.7 | -86.4 | 163.5 | 0 | 0 | 0 | 112.4 | L2032 L2033 I2034 G2039 L2040 | L2032-L2036 HydrophobicContact CD2-CD1 4.27Å; L2032-L2036 WeakPolarHBondContact O-CB 3.41Å; L2032-L2036 WeakPolarHBondContact O-CG 3.25Å; L2032-L2036 PolarHBondContact O-N 2.83Å; L2033-L2036 PolarHBondContact O-N 2.89Å; I2034-L2036 PolarHBondContact O-N 2.88Å; L2036-G2039 PolarHBondContact O-N 2.77Å; L2036-L2040 VanDerWaalsContact O-CB 3.23Å; L2036-L2040 WeakPolarHBondContact O-CB 3.4Å; L2036-L2040 PolarHBondContact O-N 2.84Å |
| 2037 | I | 79.9 | Confident | 76.2 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.5 | -70.7 | 163.5 | 0 | 0 | 0 | 111.2 | L2033 I2034 L2040 L2041 | L2033-I2037 WeakPolarHBondContact O-CB 3.45Å; L2033-I2037 WeakPolarHBondContact O-CD1 3.3Å; L2033-I2037 VanDerWaalsContact O-CG1 3.24Å; L2033-I2037 WeakPolarHBondContact O-CG1 3.31Å; L2033-I2037 PolarHBondContact O-N 2.84Å; I2034-I2037 PolarHBondContact O-N 2.83Å; I2037-L2040 PolarHBondContact O-N 3.39Å; I2037-L2041 HydrophobicContact CG2-CD1 4.04Å; I2037-L2041 WeakPolarHBondContact O-CB 3.4Å; I2037-L2041 WeakPolarHBondContact O-CG 3.46Å; I2037-L2041 PolarHBondContact O-N 2.99Å |
| 2038 | I | 79 | Confident | 76 | Confident | 87 Ų | 87 | 93.2 Ų | 93.2 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.4 | -70 | 170.1 | 0 | 0 | 0 | 110.2 | I2034 F2035 L2040 L2041 I2042 | I2034-I2038 HydrophobicContact CG2-CD1 3.68Å; I2034-I2038 HydrophobicContact CG2-CG1 4.31Å; I2034-I2038 WeakPolarHBondContact O-CB 3.49Å; I2034-I2038 VanDerWaalsContact O-CG1 3.3Å; I2034-I2038 WeakPolarHBondContact O-CG1 3.31Å; I2034-I2038 PolarHBondContact O-N 2.74Å; F2035-I2038 PolarHBondContact O-N 2.69Å; I2038-L2040 VanDerWaalsContact C-N 3.33Å; I2038-L2040 PolarHBondContact O-N 2.78Å; I2038-L2041 PolarHBondContact O-N 2.75Å; I2038-I2042 HydrophobicContact CG2-CD1 3.84Å; I2038-I2042 HydrophobicContact CG2-CG1 4.49Å; I2038-I2042 VanDerWaalsContact O-CG1 3.29Å; I2038-I2042 WeakPolarHBondContact O-CG1 3.45Å; I2038-I2042 PolarHBondContact O-N 3.41Å |
| 2039 | G | 80.6 | Confident | 75.7 | Confident | 33 Ų | 33 | 91.9 Ų | 91.9 | 34% | 0.34 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | F2035 L2036 I2042 V2043 | F2035-G2039 PolarHBondContact O-N 2.88Å; L2036-G2039 PolarHBondContact O-N 2.77Å; G2039-I2042 PolarHBondContact O-N 3.39Å; G2039-V2043 WeakPolarHBondContact O-CG2 3.46Å; G2039-V2043 PolarHBondContact O-N 2.84Å |
| 2040 | L | 79.6 | Confident | 75.1 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.9 | -36.6 | 178.8 | -161.1 | 153 | 0 | 0 | 0 | 111.9 | L2036 I2037 I2038 V2043 L2044 | L2036-L2040 VanDerWaalsContact O-CB 3.23Å; L2036-L2040 WeakPolarHBondContact O-CB 3.4Å; L2036-L2040 PolarHBondContact O-N 2.84Å; I2037-L2040 PolarHBondContact O-N 3.39Å; I2038-L2040 VanDerWaalsContact C-N 3.33Å; I2038-L2040 PolarHBondContact O-N 2.78Å; L2040-V2043 PolarHBondContact O-N 3.22Å; L2040-L2044 HydrophobicContact CD2-CD1 3.6Å; L2040-L2044 HydrophobicContact CD2-CG 4.1Å; L2040-L2044 WeakPolarHBondContact O-CB 3.41Å; L2040-L2044 WeakPolarHBondContact O-CG 3.44Å; L2040-L2044 PolarHBondContact O-N 2.8Å |
| 2041 | L | 78.6 | Confident | 74.1 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 170.9 | -83.6 | 167.7 | 0 | 0 | 0 | 112.4 | I2037 I2038 L2044 F2045 | I2037-L2041 HydrophobicContact CG2-CD1 4.04Å; I2037-L2041 WeakPolarHBondContact O-CB 3.4Å; I2037-L2041 WeakPolarHBondContact O-CG 3.46Å; I2037-L2041 PolarHBondContact O-N 2.99Å; I2038-L2041 PolarHBondContact O-N 2.75Å; L2041-L2044 PolarHBondContact O-N 2.84Å; L2041-F2045 WeakPolarHBondContact O-CB 3.45Å; L2041-F2045 PolarHBondContact O-N 2.85Å |
| 2042 | I | 77.8 | Confident | 73.2 | Confident | 102 Ų | 102 | 99.9 Ų | 99.9 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 174.9 | -69.8 | 165.4 | 0 | 0 | 0 | 110.1 | I2038 G2039 F2045 V2046 | I2038-I2042 HydrophobicContact CG2-CD1 3.84Å; I2038-I2042 HydrophobicContact CG2-CG1 4.49Å; I2038-I2042 VanDerWaalsContact O-CG1 3.29Å; I2038-I2042 WeakPolarHBondContact O-CG1 3.45Å; I2038-I2042 PolarHBondContact O-N 3.41Å; G2039-I2042 PolarHBondContact O-N 3.39Å; I2042-F2045 PolarHBondContact O-N 2.99Å; I2042-V2046 WeakPolarHBondContact O-CG2 3.46Å; I2042-V2046 PolarHBondContact O-N 3.36Å |
| 2043 | V | 79.6 | Confident | 72.3 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -46.4 | 175.2 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | G2039 L2040 F2045 V2046 Y2047 | G2039-V2043 WeakPolarHBondContact O-CG2 3.46Å; G2039-V2043 PolarHBondContact O-N 2.84Å; L2040-V2043 PolarHBondContact O-N 3.22Å; V2043-F2045 VanDerWaalsContact C-N 3.34Å; V2043-F2045 PolarHBondContact O-N 3.34Å; V2043-V2046 PolarHBondContact O-N 3.5Å; V2043-Y2047 VanDerWaalsContact O-CB 3.25Å; V2043-Y2047 WeakPolarHBondContact O-CB 3.03Å; V2043-Y2047 PolarHBondContact O-N 2.85Å |
| 2044 | L | 74.1 | Confident | 71.4 | Confident | 96 Ų | 96 | 98.2 Ų | 98.2 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 174.7 | -80.5 | 173.1 | 0 | 0 | 0 | 112.5 | L2040 L2041 Y2047 A2048 | L2040-L2044 HydrophobicContact CD2-CD1 3.6Å; L2040-L2044 HydrophobicContact CD2-CG 4.1Å; L2040-L2044 WeakPolarHBondContact O-CB 3.41Å; L2040-L2044 WeakPolarHBondContact O-CG 3.44Å; L2040-L2044 PolarHBondContact O-N 2.8Å; L2041-L2044 PolarHBondContact O-N 2.84Å; L2044-Y2047 PolarHBondContact O-N 3.23Å; L2044-A2048 WeakPolarHBondContact O-CB 3.39Å; L2044-A2048 PolarHBondContact O-N 2.77Å |
| 2045 | F | 71.7 | Confident | 70.3 | Confident | 142 Ų | 142 | 104 Ų | 104 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.6 | -47.2 | 178.9 | -173.5 | -103.1 | 0 | 0 | 0 | 111.2 | L2041 I2042 V2043 Y2047 A2048 I2049 | L2041-F2045 WeakPolarHBondContact O-CB 3.45Å; L2041-F2045 PolarHBondContact O-N 2.85Å; I2042-F2045 PolarHBondContact O-N 2.99Å; V2043-F2045 VanDerWaalsContact C-N 3.34Å; V2043-F2045 PolarHBondContact O-N 3.34Å; F2045-Y2047 VanDerWaalsContact C-N 3.3Å; F2045-Y2047 PolarHBondContact O-N 3.48Å; F2045-A2048 PolarHBondContact O-N 3.04Å; F2045-I2049 HydrophobicContact CD1-CD1 3.92Å; F2045-I2049 HydrophobicContact CE1-CD1 3.75Å; F2045-I2049 HydrophobicContact CE1-CG1 4.41Å; F2045-I2049 HydrophobicContact CZ-CD1 4.42Å; F2045-I2049 WeakPolarHBondContact O-CG1 3.49Å; F2045-I2049 PolarHBondContact O-N 2.93Å; F2045-I2049 VanDerWaalsContact O-N 3.15Å |
| 2046 | V | 69.9 | Low | 69.1 | Low | 93 Ų | 93 | 105.4 Ų | 105.4 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.8 | -39.9 | 174 | 173 | 0 | 0 | 0 | 0 | 111.2 | I2042 V2043 P2050 | I2042-V2046 WeakPolarHBondContact O-CG2 3.46Å; I2042-V2046 PolarHBondContact O-N 3.36Å; V2043-V2046 PolarHBondContact O-N 3.5Å; V2046-P2050 WeakPolarHBondContact O-CD 3.47Å |
| 2047 | Y | 71.4 | Confident | 67.9 | Low | 190 Ų | 190 | 108.3 Ų | 108.3 | 75% | 0.745 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.2 | -32.7 | 175.8 | -172.6 | -96.9 | 0 | 0 | 0 | 113.4 | V2043 L2044 F2045 P2050 | V2043-Y2047 VanDerWaalsContact O-CB 3.25Å; V2043-Y2047 WeakPolarHBondContact O-CB 3.03Å; V2043-Y2047 PolarHBondContact O-N 2.85Å; L2044-Y2047 PolarHBondContact O-N 3.23Å; F2045-Y2047 VanDerWaalsContact C-N 3.3Å; F2045-Y2047 PolarHBondContact O-N 3.48Å; Y2047-P2050 WeakPolarHBondContact O-CD 3.15Å |
| 2048 | A | 65.6 | Low | 66.4 | Low | 38 Ų | 38 | 108 Ų | 108 | 31% | 0.314 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -85.2 | -14.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L2044 F2045 P2051 L2052 | L2044-A2048 WeakPolarHBondContact O-CB 3.39Å; L2044-A2048 PolarHBondContact O-N 2.77Å; F2045-A2048 PolarHBondContact O-N 3.04Å; A2048-P2051 WeakPolarHBondContact O-CD 3.47Å; A2048-L2052 PolarHBondContact O-N 2.94Å |
| 2049 | I | 64.8 | Low | 64.6 | Low | 64 Ų | 64 | 108 Ų | 108 | 33% | 0.328 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.2 | -47.6 | -179.4 | -79.6 | 165.3 | 0 | 0 | 0 | 113.7 | F2045 L2052 L2053 | F2045-I2049 HydrophobicContact CD1-CD1 3.92Å; F2045-I2049 HydrophobicContact CE1-CD1 3.75Å; F2045-I2049 HydrophobicContact CE1-CG1 4.41Å; F2045-I2049 HydrophobicContact CZ-CD1 4.42Å; F2045-I2049 WeakPolarHBondContact O-CG1 3.49Å; F2045-I2049 PolarHBondContact O-N 2.93Å; F2045-I2049 VanDerWaalsContact O-N 3.15Å; I2049-L2052 PolarHBondContact O-N 3.35Å; I2049-L2053 HydrophobicContact CG2-CD1 3.54Å; I2049-L2053 HydrophobicContact CG2-CG 4.19Å; I2049-L2053 PolarHBondContact O-N 3.09Å |
| 2050 | P | 59.7 | Low | 62.5 | Low | 84 Ų | 84 | 115 Ų | 115 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60 | -45.1 | -175.4 | -20.6 | 30.7 | 0 | 0 | 0 | 114.2 | V2046 Y2047 L2052 L2053 A2054 | V2046-P2050 WeakPolarHBondContact O-CD 3.47Å; Y2047-P2050 WeakPolarHBondContact O-CD 3.15Å; P2050-L2052 PolarHBondContact O-N 3.46Å; P2050-L2053 PolarHBondContact O-N 3.01Å; P2050-A2054 WeakPolarHBondContact O-CB 3.5Å; P2050-A2054 PolarHBondContact O-N 2.76Å |
| 2051 | P | 53.9 | Low | 61.7 | Low | 81 Ų | 81 | 115.3 Ų | 115.3 | 53% | 0.526 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.2 | -37.2 | 173.8 | -19.8 | 29.9 | 0 | 0 | 0 | 113.8 | A2048 R2055 | A2048-P2051 WeakPolarHBondContact O-CD 3.47Å; P2051-R2055 PolarHBondContact O-N 3.3Å |
| 2052 | L | 57.3 | Low | 60.8 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.1 | -34.5 | -179.1 | -86.7 | 165 | 0 | 0 | 0 | 112.8 | A2048 I2049 P2050 | A2048-L2052 PolarHBondContact O-N 2.94Å; I2049-L2052 PolarHBondContact O-N 3.35Å; P2050-L2052 PolarHBondContact O-N 3.46Å |
| 2053 | L | 58.4 | Low | 59.8 | Low | 100 Ų | 100 | 116.7 Ų | 116.7 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.5 | -41 | 173 | -74.2 | 172.6 | 0 | 0 | 0 | 111.9 | I2049 P2050 R2055 K2056 M2057 | I2049-L2053 HydrophobicContact CG2-CD1 3.54Å; I2049-L2053 HydrophobicContact CG2-CG 4.19Å; I2049-L2053 PolarHBondContact O-N 3.09Å; P2050-L2053 PolarHBondContact O-N 3.01Å; L2053-R2055 PolarHBondContact O-N 3.22Å; L2053-K2056 PolarHBondContact O-N 2.74Å; L2053-M2057 PolarHBondContact O-N 2.87Å; L2053-M2057 VanDerWaalsContact O-N 3.14Å |
| 2054 | A | 59.2 | Low | 58.7 | Low | 59 Ų | 59 | 117.6 Ų | 117.6 | 49% | 0.488 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -57.1 | -47.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P2050 K2056 M2057 V2058 | P2050-A2054 WeakPolarHBondContact O-CB 3.5Å; P2050-A2054 PolarHBondContact O-N 2.76Å; A2054-K2056 PolarHBondContact O-N 3.44Å; A2054-M2057 PolarHBondContact O-N 3.25Å; A2054-V2058 PolarHBondContact O-N 2.86Å; A2054-V2058 VanDerWaalsContact O-N 3.14Å |
| 2055 | R | 56.1 | Low | 57.7 | Low | 211 Ų | 211 | 119 Ų | 119 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66 | -12.7 | 176.4 | -91.8 | -175.4 | 168.5 | 169.9 | -1.5 | 115.5 | P2051 L2053 | P2051-R2055 PolarHBondContact O-N 3.3Å; L2053-R2055 PolarHBondContact O-N 3.22Å |
| 2056 | K | 54.6 | Low | 56.8 | Low | 192 Ų | 192 | 117.5 Ų | 117.5 | 84% | 0.835 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -101.6 | -20.2 | 178.1 | -125.8 | -176.7 | -177.4 | -176.3 | 0 | 113.6 | L2053 A2054 | L2053-K2056 PolarHBondContact O-N 2.74Å; A2054-K2056 PolarHBondContact O-N 3.44Å |
| 2057 | M | 53.8 | Low | 55.8 | Low | 169 Ų | 169 | 119.2 Ų | 119.2 | 83% | 0.833 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -91 | -27.5 | 174 | -71.8 | -167.2 | 177.5 | 0 | 0 | 113.3 | L2053 A2054 | L2053-M2057 PolarHBondContact O-N 2.87Å; L2053-M2057 VanDerWaalsContact O-N 3.14Å; A2054-M2057 PolarHBondContact O-N 3.25Å |
| 2058 | V | 47.7 | Very low | 54.7 | Low | 89 Ų | 89 | 113.8 Ų | 113.8 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -113.7 | 117.5 | 175.5 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | A2054 V2060 | A2054-V2058 PolarHBondContact O-N 2.86Å; A2054-V2058 VanDerWaalsContact O-N 3.14Å; V2058-V2060 HydrophobicContact CG1-CB 4.06Å; V2058-V2060 HydrophobicContact CG1-CG2 3.97Å; V2058-V2060 PolarHBondContact O-N 3.4Å |
| 2059 | G | 42.4 | Very low | 53.7 | Low | 89 Ų | 89 | 120.1 Ų | 120.1 | 92% | 0.918 | 67% | 0.672 | S | S | * | * | trans | -78.2 | 52.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2060 | V | 36.9 | Very low | 52.7 | Low | 180 Ų | 180 | 125.2 Ų | 125.2 | 100% | 1.091 | 70% | 0.703 | S | S | * | * | trans | -137.7 | 0 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | V2058 | V2058-V2060 HydrophobicContact CG1-CB 4.06Å; V2058-V2060 HydrophobicContact CG1-CG2 3.97Å; V2058-V2060 PolarHBondContact O-N 3.4Å |
Retrieved 2,060 of 2,060 residues in 576.9 ms
(Link to these results)