| 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 | 59.3 | Low | 86.6 | Confident | 142 Ų | 142 | 35.6 Ų | 35.6 | 70% | 0.7 | 16% | 0.164 | S | C | * | . | 0 | 147.1 | 0 | -158.2 | -178.8 | -84.6 | 0 | 0 | 106.5 | P128 | M1-P128 WeakPolarHBondContact O-CD 3.49Š| |||
| 2 | Y | 77.6 | Confident | 86.7 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 28% | 0.278 | 17% | 0.167 | S | C | . | . | trans | -89.8 | 117.9 | 169.7 | -71.3 | -74.8 | 0 | 0 | 0 | 107.4 | L57 P61 Y125 E126 F127 P128 | Y2-L57 WeakPolarHBondContact O-CB 3.31Å; Y2-L57 PolarHBondContact O-N 2.94Å; Y2-P61 HydrophobicContact CD1-CB 4.49Å; Y2-P61 HydrophobicContact CE1-CB 4.17Å; Y2-Y125 HydrophobicContact CD1-CE2 4.04Å; Y2-Y125 AromaticContact CD1-CZ 3.67Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.33Å; Y2-Y125 WeakPolarHBondContact CE1-OH 3.25Å; Y2-E126 WeakPolarHBondContact CA-O 3.44Å; Y2-F127 HydrophobicContact CD1-CB 3.93Å; Y2-F127 HydrophobicContact CE1-CB 3.73Å; Y2-P128 HydrophobicContact CE1-CG 4.44Å; Y2-P128 HydrophobicContact CE2-CG 4.18Å | ||
| 3 | A | 84.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I54 I55 Y125 E126 | A3-I54 HydrophobicContact CB-CG2 4.07Å; A3-I55 WeakPolarHBondContact CA-O 3.38Å; A3-Y125 WeakPolarHBondContact O-CD2 3.29Å; A3-E126 HydrophobicContact CB-CB 4.3Å; A3-E126 PolarHBondContact N-O 2.7Å; A3-E126 PolarHBondContact O-N 3.26Å |
| 4 | L | 88.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.4 | 170.2 | 177.1 | 65.6 | 0 | 0 | 0 | 108.4 | V6 F31 I55 L57 L62 L91 | L4-V6 HydrophobicContact CD2-CG2 4.18Å; L4-V6 HydrophobicContact CG-CG2 4Å; L4-F31 HydrophobicContact CD2-CD2 4.38Å; L4-I55 HydrophobicContact CB-CB 4.37Å; L4-I55 PolarHBondContact N-O 3.04Å; L4-I55 PolarHBondContact O-N 3.11Å; L4-L57 HydrophobicContact CB-CD2 4.49Å; L4-L62 HydrophobicContact CD1-CD1 4.15Å; L4-L91 HydrophobicContact CD2-CD1 3.79Å; L4-L91 HydrophobicContact CD2-CD2 4.3Å |
| 5 | H | 89.6 | Confident | 86.5 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 9% | 0.088 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.3 | 174.4 | -64 | -114.1 | 0 | 0 | 0 | 108.5 | E52 L123 R124 E126 | H5-E52 IonicContact CE1-OE1 2.89Å; H5-E52 IonicContact CG-OE1 2.75Å; H5-E52 IonicContact ND1-OE1 3.6Å; H5-E52 PolarHBondContact ND1-OE1 3.45Å; H5-L123 CarbonylContact O-C 3.54Å; H5-L123 WeakPolarHBondContact O-CA 3.36Å; H5-R124 HydrophobicContact CB-CB 4.09Å; H5-R124 WeakPolarHBondContact CB-O 3.39Å; H5-R124 PolarHBondContact N-O 3.22Å; H5-R124 PolarHBondContact O-N 2.9Å; H5-E126 IonicContact NE2-OE2 3.92Å; H5-E126 PolarHBondContact NE2-OE2 3.2Å |
| 6 | V | 92.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 99 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | L4 V8 V29 I53 I55 I70 L123 | L4-V6 HydrophobicContact CD2-CG2 4.18Å; L4-V6 HydrophobicContact CG-CG2 4Å; V6-V8 HydrophobicContact CG1-CG2 4.23Å; V6-V29 HydrophobicContact CB-CG1 4.39Å; V6-V29 HydrophobicContact CG1-CG1 4.15Å; V6-V29 HydrophobicContact CG1-CG2 4.16Å; V6-V29 HydrophobicContact CG2-CG1 4.18Å; V6-I53 HydrophobicContact CB-CB 4.39Å; V6-I53 PolarHBondContact N-O 2.94Å; V6-I53 PolarHBondContact O-N 3.04Å; V6-I55 HydrophobicContact CG2-CD1 4.09Å; V6-I70 HydrophobicContact CG1-CD1 4.45Å; V6-L123 HydrophobicContact CB-CD2 4Å; V6-L123 HydrophobicContact CG1-CD2 3.76Å; V6-L123 HydrophobicContact CG2-CD2 3.71Å |
| 7 | N | 92.3 | Very high | 86 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 106.9 | 174.1 | -177.2 | -10.7 | 0 | 0 | 0 | 110 | K9 E51 E52 L121 S122 | N7-K9 PolarHBondContact O-N 3.18Å; N7-E51 WeakPolarHBondContact CA-O 3.34Å; N7-E52 HydrophobicContact CB-CB 4.48Å; N7-L121 CarbonylContact O-C 3.57Å; N7-L121 WeakPolarHBondContact O-CA 3.31Å; N7-L121 WeakPolarHBondContact O-CB 3.2Å; N7-S122 PolarHBondContact N-O 3.08Å; N7-S122 PolarHBondContact O-N 3.39Å |
| 8 | V | 93 | Very high | 85.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 106.7 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | V6 V27 V29 T38 W49 D50 E51 I53 I119 | V6-V8 HydrophobicContact CG1-CG2 4.23Å; V8-V27 HydrophobicContact CG1-CB 4.05Å; V8-V27 HydrophobicContact CG1-CG1 4.16Å; V8-V27 HydrophobicContact CG1-CG2 3.78Å; V8-V27 HydrophobicContact CG2-CG1 4.37Å; V8-V29 HydrophobicContact CG2-CG2 4Å; V8-T38 HydrophobicContact CB-CG2 4.01Å; V8-T38 HydrophobicContact CG1-CG2 4.27Å; V8-T38 HydrophobicContact CG2-CG2 4.16Å; V8-W49 HydrophobicContact CG1-CD2 4.39Å; V8-W49 HydrophobicContact CG1-CE3 3.81Å; V8-W49 HydrophobicContact CG1-CZ3 4.34Å; V8-D50 VanDerWaalsContact O-CA 3.3Å; V8-D50 WeakPolarHBondContact O-CA 3.39Å; V8-D50 PolarHBondContact O-N 3.25Å; V8-E51 PolarHBondContact N-O 3.34Å; V8-E51 PolarHBondContact O-N 3.06Å; V8-E51 VanDerWaalsContact O-N 3.08Å; V8-I53 HydrophobicContact CG2-CD1 4.43Å; V8-I119 HydrophobicContact CG1-CD1 4.36Å |
| 9 | K | 90.6 | Very high | 84.5 | Confident | 69 Ų | 69 | 53.2 Ų | 53.2 | 30% | 0.3 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -66.4 | -172.8 | -63.7 | -171.6 | 176.8 | -177 | 0 | 112 | N7 V48 W49 D50 E120 S122 | N7-K9 PolarHBondContact O-N 3.18Å; K9-V48 CarbonylContact O-C 3.49Å; K9-W49 PolarHBondContact O-N 3.49Å; K9-D50 PolarHBondContact O-N 3.44Å; K9-E120 HydrophobicContact CB-CB 4.46Å; K9-E120 WeakPolarHBondContact CB-O 3.33Å; K9-E120 PolarHBondContact N-O 3.36Å; K9-S122 VanDerWaalsContact CE-OG 3.29Å; K9-S122 WeakPolarHBondContact CE-OG 3.43Å |
| 10 | K | 92.4 | Very high | 83.6 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 162.3 | -175.8 | 62.4 | 173.7 | 179.6 | 167.1 | 0 | 112.6 | P47 V48 E120 | K10-P47 CarbonylContact C-O 3.54Å; K10-P47 WeakPolarHBondContact CA-O 3.45Å; K10-P47 VanDerWaalsContact CB-O 3.24Å; K10-P47 WeakPolarHBondContact CB-O 3.45Å; K10-V48 HydrophobicContact CB-CB 4.28Å; K10-V48 HydrophobicContact CB-CG1 4.36Å; K10-V48 HydrophobicContact CB-CG2 3.91Å; K10-E120 WeakPolarHBondContact CE-OE1 3.3Å; K10-E120 WeakPolarHBondContact CE-OE2 3.45Å; K10-E120 HydrophobicContact CG-CB 4.09Å; K10-E120 PolarHBondContact N-O 2.9Å; K10-E120 IonicContact NZ-OE1 2.64Å; K10-E120 PolarHBondContact NZ-OE1 2.94Å; K10-E120 IonicContact NZ-OE2 3.52Å; K10-E120 PolarHBondContact O-N 3.37Å |
| 11 | A | 92.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 150.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110 | L14 N46 P47 W49 T118 I119 | A11-L14 HydrophobicContact CB-CD1 3.99Å; A11-L14 HydrophobicContact CB-CD2 4.07Å; A11-L14 HydrophobicContact CB-CG 4Å; A11-N46 CarbonylContact O-C 3.59Å; A11-N46 WeakPolarHBondContact O-CA 3.28Å; A11-P47 HydrophobicContact CB-CG 4.09Å; A11-P47 PolarHBondContact N-O 3.01Å; A11-W49 HydrophobicContact CB-CH2 3.81Å; A11-W49 HydrophobicContact CB-CZ3 3.66Å; A11-T118 CarbonylContact C-O 3.43Å; A11-T118 WeakPolarHBondContact CA-O 3.38Å; A11-T118 WeakPolarHBondContact CB-O 3.46Å; A11-I119 HydrophobicContact CB-CG1 4.47Å |
| 12 | N | 88.1 | Confident | 84.3 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 148.6 | 176.2 | -52 | -64.8 | 0 | 0 | 0 | 110.2 | L14 N46 S117 T118 | N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 3.42Å; N12-N46 WeakPolarHBondContact CA-OD1 3.36Å; N12-S117 VanDerWaalsContact O-CA 3.26Å; N12-S117 WeakPolarHBondContact O-CA 3.38Å; N12-T118 PolarHBondContact N-O 2.75Å; N12-T118 PolarHBondContact ND2-OG1 3.29Å; N12-T118 PolarHBondContact O-N 2.83Å |
| 13 | N | 87.8 | Confident | 84.7 | Confident | 98 Ų | 98 | 50.2 Ų | 50.2 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 54.6 | 41.1 | 175.8 | -67.9 | -23.1 | 0 | 0 | 0 | 114.1 | N46 M116 S117 | N13-N46 PolarHBondContact N-OD1 3.44Å; N13-M116 WeakPolarHBondContact CB-O 3.36Å; N13-S117 WeakPolarHBondContact O-CB 3.35Å; N13-S117 PolarHBondContact O-OG 3.05Å |
| 14 | L | 88.2 | Confident | 85 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 141.4 | 171.9 | -66.8 | 176.5 | 0 | 0 | 0 | 110.5 | A11 N12 N16 P25 L45 P47 V72 M84 L107 | A11-L14 HydrophobicContact CB-CD1 3.99Å; A11-L14 HydrophobicContact CB-CD2 4.07Å; A11-L14 HydrophobicContact CB-CG 4Å; N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 3.42Å; L14-N16 PolarHBondContact O-N 2.98Å; L14-P25 HydrophobicContact CD1-CB 3.57Å; L14-P25 HydrophobicContact CD1-CG 3.75Å; L14-L45 HydrophobicContact CB-CB 4.48Å; L14-L45 WeakPolarHBondContact CB-O 3.49Å; L14-L45 PolarHBondContact N-O 3.44Å; L14-P47 HydrophobicContact CD1-CG 3.6Å; L14-V72 HydrophobicContact CD1-CG1 3.99Å; L14-V72 HydrophobicContact CD2-CB 4.5Å; L14-V72 HydrophobicContact CD2-CG1 3.87Å; L14-M84 HydrophobicContact CB-CE 3.82Å; L14-M84 HydrophobicContact CD1-CE 4.34Å; L14-L107 HydrophobicContact CD2-CD1 3.81Å |
| 15 | K | 80.6 | Confident | 85.2 | Confident | 146 Ų | 146 | 51.7 Ų | 51.7 | 64% | 0.635 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 125.5 | 176.3 | -178.7 | -177.5 | 178.2 | -177.9 | 0 | 109.6 | I17 M84 | K15-I17 HydrophobicContact CD-CG2 3.9Å; K15-I17 HydrophobicContact CG-CG2 3.93Å; K15-I17 PolarHBondContact O-N 3.35Å; K15-M84 WeakPolarHBondContact O-CE 3.44Å |
| 16 | N | 82.9 | Confident | 85.5 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 121.2 | 167.5 | -165.9 | 8.4 | 0 | 0 | 0 | 109.7 | L14 E18 G21 K22 S23 L45 | L14-N16 PolarHBondContact O-N 2.98Å; N16-E18 PolarHBondContact OD1-N 3.04Å; N16-G21 PolarHBondContact ND2-O 3.44Å; N16-K22 WeakPolarHBondContact OD1-CA 3.42Å; N16-S23 PolarHBondContact OD1-N 3.22Å; N16-S23 VanDerWaalsContact OD1-N 3.07Å; N16-S23 PolarHBondContact OD1-OG 2.93Å; N16-L45 HydrophobicContact CB-CD1 3.87Å; N16-L45 HydrophobicContact CB-CD2 3.96Å |
| 17 | I | 82 | Confident | 85.7 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | trans | -116.6 | -0.2 | 177.1 | 60.9 | -178.3 | 0 | 0 | 0 | 113.2 | K15 S23 D74 K82 M84 | K15-I17 HydrophobicContact CD-CG2 3.9Å; K15-I17 HydrophobicContact CG-CG2 3.93Å; K15-I17 PolarHBondContact O-N 3.35Å; I17-S23 WeakPolarHBondContact CG1-OG 3.45Å; I17-S23 PolarHBondContact N-OG 2.93Å; I17-D74 HydrophobicContact CD1-CB 3.69Å; I17-D74 HydrophobicContact CG1-CB 4.04Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.3Å; I17-K82 HydrophobicContact CD1-CB 3.36Å; I17-K82 HydrophobicContact CD1-CD 4.05Å; I17-K82 HydrophobicContact CD1-CG 4.37Å; I17-K82 HydrophobicContact CG1-CB 4.4Å; I17-K82 HydrophobicContact CG1-CD 4.28Å; I17-M84 HydrophobicContact CD1-CG 3.89Å | ||
| 18 | E | 72.9 | Confident | 85.8 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | trans | -80.8 | 143.9 | 173 | -76.2 | -50.8 | 119 | 0 | 0 | 112.9 | N16 K82 | N16-E18 PolarHBondContact OD1-N 3.04Å; E18-K82 IonicContact OE1-NZ 3.22Å; E18-K82 PolarHBondContact OE1-NZ 3.43Å; E18-K82 IonicContact OE2-NZ 3.13Å | ||
| 19 | I | 70.8 | Confident | 85.8 | Confident | 176 Ų | 176 | 50.9 Ų | 50.9 | 90% | 0.903 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -77.7 | -31.2 | 179.6 | -61.1 | 173.6 | 0 | 0 | 0 | 110.7 | ||
| 20 | S | 67.4 | Low | 85.9 | Confident | 111 Ų | 111 | 48.9 Ų | 48.9 | 78% | 0.776 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -140.3 | 113.1 | 179.3 | 167.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 21 | G | 75.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 46 Ų | 46 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 108.5 | -172.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N16 | N16-G21 PolarHBondContact ND2-O 3.44Š|
| 22 | K | 81.4 | Confident | 85.3 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | trans | -100.5 | 160.8 | 164.6 | -72.1 | 169.3 | 176.6 | 178.5 | 0 | 108 | N16 D43 L45 | N16-K22 WeakPolarHBondContact OD1-CA 3.42Å; K22-D43 HydrophobicContact CB-CB 4.26Å; K22-D43 WeakPolarHBondContact CD-O 3.49Å; K22-D43 PolarHBondContact N-OD1 3.26Å; K22-L45 HydrophobicContact CB-CD2 4.39Å; K22-L45 HydrophobicContact CB-CG 4.28Å; K22-L45 HydrophobicContact CD-CG 4.37Å; K22-L45 HydrophobicContact CG-CD1 4.36Å; K22-L45 HydrophobicContact CG-CG 4.24Å | ||
| 23 | S | 86.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -59.5 | 149.8 | 170.4 | -69.9 | 0 | 0 | 0 | 0 | 112 | N16 I17 P25 D44 D74 | N16-S23 PolarHBondContact OD1-N 3.22Å; N16-S23 VanDerWaalsContact OD1-N 3.07Å; N16-S23 PolarHBondContact OD1-OG 2.93Å; I17-S23 WeakPolarHBondContact CG1-OG 3.45Å; I17-S23 PolarHBondContact N-OG 2.93Å; S23-P25 WeakPolarHBondContact O-CD 3.45Å; S23-D44 PolarHBondContact O-N 3.22Å; S23-D44 VanDerWaalsContact O-N 3.12Å; S23-D74 WeakPolarHBondContact CA-OD1 3.23Å; S23-D74 VanDerWaalsContact CB-CG 3.41Å; S23-D74 WeakPolarHBondContact CB-OD1 3.36Å; S23-D74 WeakPolarHBondContact CB-OD2 3.2Å; S23-D74 PolarHBondContact OG-OD2 3.41Å | ||
| 24 | D | 90.2 | Very high | 84.6 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | trans | -104.1 | 72.3 | 177.8 | -62.9 | -28.6 | 0 | 0 | 0 | 110.3 | V40 K41 D42 D43 D74 F75 | D24-V40 HydrophobicContact CB-CG1 3.89Å; D24-V40 WeakPolarHBondContact O-CG1 3.43Å; D24-K41 CarbonylContact C-O 3.44Å; D24-K41 VanDerWaalsContact CA-O 3.23Å; D24-K41 WeakPolarHBondContact CA-O 3.23Å; D24-D42 WeakPolarHBondContact OD1-CA 3.23Å; D24-D43 PolarHBondContact OD1-N 2.99Å; D24-D74 WeakPolarHBondContact CA-OD1 3.47Å; D24-D74 PolarHBondContact N-OD1 3.13Å; D24-F75 HydrophobicContact CB-CB 4.21Å; D24-F75 WeakPolarHBondContact O-CB 3.45Å; D24-F75 PolarHBondContact O-N 3.39Å | ||
| 25 | P | 92.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 147.7 | -167.7 | 30.5 | -40.4 | 0 | 0 | 0 | 115.4 | L14 S23 K41 D44 P47 W49 V72 M73 M84 | L14-P25 HydrophobicContact CD1-CB 3.57Å; L14-P25 HydrophobicContact CD1-CG 3.75Å; S23-P25 WeakPolarHBondContact O-CD 3.45Å; P25-K41 WeakPolarHBondContact CD-O 3.43Å; P25-K41 PolarHBondContact O-N 2.96Å; P25-D44 WeakPolarHBondContact CD-O 3.35Å; P25-D44 WeakPolarHBondContact CG-O 3.26Å; P25-P47 HydrophobicContact CB-CG 4.2Å; P25-P47 HydrophobicContact CG-CB 3.78Å; P25-P47 HydrophobicContact CG-CG 3.52Å; P25-W49 HydrophobicContact CB-CZ2 4.03Å; P25-W49 HydrophobicContact CG-CZ2 4.32Å; P25-W49 PolarHBondContact O-NE1 3.12Å; P25-V72 HydrophobicContact CB-CG1 4.29Å; P25-M73 CarbonylContact C-O 3.16Å; P25-M73 WeakPolarHBondContact CA-O 3.17Å; P25-M84 HydrophobicContact CB-SD 3.94Å |
| 26 | Y | 95.5 | Very high | 85 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 161.1 | 164.5 | 74.6 | -86.1 | 0 | 0 | 0 | 111.5 | V28 K37 V40 M73 F75 D81 | Y26-V28 HydrophobicContact CD2-CG2 4.26Å; Y26-V28 HydrophobicContact CE2-CG2 3.62Å; Y26-K37 HydrophobicContact CD2-CB 4.25Å; Y26-K37 HydrophobicContact CD2-CD 4.25Å; Y26-K37 HydrophobicContact CD2-CG 4.44Å; Y26-K37 HydrophobicContact CE2-CB 4.38Å; Y26-K37 HydrophobicContact CE2-CD 3.59Å; Y26-K37 HydrophobicContact CE2-CG 4.1Å; Y26-K37 PolarHBondContact OH-NZ 2.85Å; Y26-V40 HydrophobicContact CD1-CG2 4.01Å; Y26-V40 HydrophobicContact CG-CG2 4.23Å; Y26-M73 HydrophobicContact CD1-CB 3.97Å; Y26-M73 HydrophobicContact CD2-CB 4.47Å; Y26-M73 HydrophobicContact CE1-CB 3.5Å; Y26-M73 HydrophobicContact CE1-CG 4.45Å; Y26-M73 HydrophobicContact CE2-CB 4.01Å; Y26-M73 HydrophobicContact CE2-CG 4.2Å; Y26-M73 HydrophobicContact CG-CB 4.46Å; Y26-M73 PolarHBondContact N-O 3.46Å; Y26-M73 PolarHBondContact O-N 3.48Å; Y26-F75 HydrophobicContact CD1-CB 4.01Å; Y26-F75 HydrophobicContact CE1-CB 4.15Å; Y26-D81 HydrophobicContact CE1-CB 4.3Å; Y26-D81 VanDerWaalsContact CE1-OD2 3.29Å; Y26-D81 WeakPolarHBondContact CE1-OD2 3.29Å; Y26-D81 VanDerWaalsContact CZ-OD2 3.3Å; Y26-D81 PolarHBondContact OH-OD2 3.04Å |
| 27 | V | 95.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.6 | -177.4 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | V8 V29 K37 T38 W49 I70 K71 V72 I119 | V8-V27 HydrophobicContact CG1-CB 4.05Å; V8-V27 HydrophobicContact CG1-CG1 4.16Å; V8-V27 HydrophobicContact CG1-CG2 3.78Å; V8-V27 HydrophobicContact CG2-CG1 4.37Å; V27-V29 HydrophobicContact CG1-CG2 4.48Å; V27-K37 CarbonylContact O-C 3.52Å; V27-K37 VanDerWaalsContact O-CA 3.28Å; V27-K37 WeakPolarHBondContact O-CA 3.47Å; V27-T38 WeakPolarHBondContact CA-OG1 3.42Å; V27-T38 HydrophobicContact CB-CG2 4.2Å; V27-T38 PolarHBondContact N-OG1 2.89Å; V27-T38 PolarHBondContact O-N 3.42Å; V27-T38 PolarHBondContact O-OG1 3.24Å; V27-W49 HydrophobicContact CG2-CD2 4.11Å; V27-W49 HydrophobicContact CG2-CE3 3.89Å; V27-W49 HydrophobicContact CG2-CH2 3.35Å; V27-W49 HydrophobicContact CG2-CZ2 3.62Å; V27-W49 HydrophobicContact CG2-CZ3 3.5Å; V27-I70 HydrophobicContact CG1-CG2 3.52Å; V27-K71 CarbonylContact C-O 3.09Å; V27-K71 WeakPolarHBondContact CA-O 3.46Å; V27-V72 HydrophobicContact CG2-CG2 4.24Å; V27-I119 HydrophobicContact CG1-CD1 4.06Å; V27-I119 HydrophobicContact CG2-CD1 3.79Å |
| 28 | V | 95 | Very high | 86 | Confident | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.5 | 168.9 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | Y26 K35 Q36 K37 I70 K71 M73 | Y26-V28 HydrophobicContact CD2-CG2 4.26Å; Y26-V28 HydrophobicContact CE2-CG2 3.62Å; V28-K35 HydrophobicContact CG1-CB 4.5Å; V28-Q36 CarbonylContact C-O 3.58Å; V28-Q36 WeakPolarHBondContact CA-O 3.33Å; V28-K37 HydrophobicContact CG1-CG 4.5Å; V28-K37 HydrophobicContact CG2-CG 4.14Å; V28-I70 WeakPolarHBondContact O-CA 3.42Å; V28-K71 HydrophobicContact CB-CB 4.27Å; V28-K71 PolarHBondContact N-O 3.44Å; V28-K71 PolarHBondContact O-N 3.47Å; V28-M73 HydrophobicContact CG2-CG 3.97Å |
| 29 | V | 93.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.3 | 171.5 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | V6 V8 V27 K35 Q36 I53 I55 V68 I70 | V6-V29 HydrophobicContact CB-CG1 4.39Å; V6-V29 HydrophobicContact CG1-CG1 4.15Å; V6-V29 HydrophobicContact CG1-CG2 4.16Å; V6-V29 HydrophobicContact CG2-CG1 4.18Å; V8-V29 HydrophobicContact CG2-CG2 4Å; V27-V29 HydrophobicContact CG1-CG2 4.48Å; V29-K35 VanDerWaalsContact O-CA 3.3Å; V29-K35 WeakPolarHBondContact O-CA 3.38Å; V29-Q36 PolarHBondContact N-O 3.33Å; V29-Q36 PolarHBondContact O-N 2.95Å; V29-I53 HydrophobicContact CB-CD1 4.23Å; V29-I53 HydrophobicContact CB-CG2 4.48Å; V29-I53 HydrophobicContact CG2-CD1 3.57Å; V29-I55 HydrophobicContact CG1-CD1 3.92Å; V29-V68 HydrophobicContact CG1-CG2 3.76Å; V29-I70 HydrophobicContact CB-CD1 4.19Å; V29-I70 HydrophobicContact CG1-CD1 3.91Å; V29-I70 HydrophobicContact CG2-CD1 3.77Å |
| 30 | D | 92.4 | Very high | 87.8 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 114.2 | -179.7 | -171.1 | -3.5 | 0 | 0 | 0 | 110.1 | G33 Q34 K35 L69 | D30-G33 WeakPolarHBondContact OD1-CA 2.95Å; D30-G33 PolarHBondContact OD1-N 2.81Å; D30-Q34 WeakPolarHBondContact CA-O 3.28Å; D30-K35 HydrophobicContact CB-CG 3.98Å; D30-K35 WeakPolarHBondContact OD2-CE 3.33Å; D30-K35 IonicContact OD2-NZ 2.69Å; D30-L69 HydrophobicContact CB-CB 4.31Å; D30-L69 PolarHBondContact N-O 2.77Å; D30-L69 PolarHBondContact O-N 2.92Å |
| 31 | F | 89.7 | Confident | 88.7 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116 | 175.1 | -177.8 | -101.8 | 0 | 0 | 0 | 109.8 | L4 G33 Q34 I55 L57 L62 D66 V68 L91 | L4-F31 HydrophobicContact CD2-CD2 4.38Å; F31-G33 PolarHBondContact O-N 2.86Å; F31-Q34 PolarHBondContact N-O 3.38Å; F31-Q34 VanDerWaalsContact N-O 3.07Å; F31-Q34 WeakPolarHBondContact O-CB 2.99Å; F31-Q34 PolarHBondContact O-N 3.42Å; F31-I55 HydrophobicContact CB-CD1 3.77Å; F31-I55 HydrophobicContact CB-CG2 4.38Å; F31-I55 HydrophobicContact CD1-CG2 4.07Å; F31-L57 HydrophobicContact CD1-CD2 3.83Å; F31-L57 HydrophobicContact CE1-CD2 3.27Å; F31-L57 HydrophobicContact CZ-CD2 4.05Å; F31-L62 HydrophobicContact CE1-CD2 4.35Å; F31-L62 HydrophobicContact CE2-CD2 3.91Å; F31-L62 HydrophobicContact CZ-CD2 3.48Å; F31-L62 VanDerWaalsContact CZ-CD2 3.48Å; F31-D66 HydrophobicContact CE2-CB 4.13Å; F31-D66 HydrophobicContact CZ-CB 4.42Å; F31-V68 HydrophobicContact CB-CG2 4Å; F31-V68 HydrophobicContact CD2-CB 4.31Å; F31-V68 HydrophobicContact CD2-CG2 4.34Å; F31-L91 HydrophobicContact CD2-CD1 4.02Å; F31-L91 HydrophobicContact CE2-CD1 3.53Å; F31-L91 HydrophobicContact CZ-CD1 4.39Å |
| 32 | Q | 82 | Confident | 89.1 | Confident | 131 Ų | 131 | 56.4 Ų | 56.4 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 37.2 | 179.6 | -61.9 | -175.7 | -6.7 | 0 | 0 | 113.4 | D66 | Q32-D66 PolarHBondContact NE2-OD1 3.3Š|
| 33 | G | 79.3 | Confident | 89.2 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D30 F31 K35 | D30-G33 WeakPolarHBondContact OD1-CA 2.95Å; D30-G33 PolarHBondContact OD1-N 2.81Å; F31-G33 PolarHBondContact O-N 2.86Å; G33-K35 PolarHBondContact O-N 3.33Å |
| 34 | Q | 82.2 | Confident | 89.2 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 111.6 | 169.5 | -64.3 | -167.2 | 29.9 | 0 | 0 | 109.8 | D30 F31 I55 D56 | D30-Q34 WeakPolarHBondContact CA-O 3.28Å; F31-Q34 PolarHBondContact N-O 3.38Å; F31-Q34 VanDerWaalsContact N-O 3.07Å; F31-Q34 WeakPolarHBondContact O-CB 2.99Å; F31-Q34 PolarHBondContact O-N 3.42Å; Q34-I55 HydrophobicContact CB-CG2 4.45Å; Q34-D56 PolarHBondContact NE2-O 3Å |
| 35 | K | 89.4 | Confident | 89.1 | Confident | 142 Ų | 142 | 58.3 Ų | 58.3 | 62% | 0.617 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.8 | -178.3 | -68.4 | 173.9 | 179.1 | 169.6 | 0 | 111.3 | V28 V29 D30 G33 | V28-K35 HydrophobicContact CG1-CB 4.5Å; V29-K35 VanDerWaalsContact O-CA 3.3Å; V29-K35 WeakPolarHBondContact O-CA 3.38Å; D30-K35 HydrophobicContact CB-CG 3.98Å; D30-K35 WeakPolarHBondContact OD2-CE 3.33Å; D30-K35 IonicContact OD2-NZ 2.69Å; G33-K35 PolarHBondContact O-N 3.33Å |
| 36 | Q | 88.7 | Confident | 88.9 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.3 | 168.9 | -70 | -169.6 | 35.9 | 0 | 0 | 110.3 | V28 V29 I53 I54 | V28-Q36 CarbonylContact C-O 3.58Å; V28-Q36 WeakPolarHBondContact CA-O 3.33Å; V29-Q36 PolarHBondContact N-O 3.33Å; V29-Q36 PolarHBondContact O-N 2.95Å; Q36-I53 HydrophobicContact CB-CD1 4.29Å; Q36-I53 HydrophobicContact CB-CG1 4.48Å; Q36-I53 HydrophobicContact CB-CG2 3.78Å; Q36-I53 HydrophobicContact CG-CG2 4.27Å; Q36-I54 PolarHBondContact NE2-O 3.39Å |
| 37 | K | 91.7 | Very high | 88.7 | Confident | 127 Ų | 127 | 61.3 Ų | 61.3 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.4 | -176 | -59.5 | -175.1 | 171.1 | -164.1 | 0 | 110.1 | Y26 V27 V28 | Y26-K37 HydrophobicContact CD2-CB 4.25Å; Y26-K37 HydrophobicContact CD2-CD 4.25Å; Y26-K37 HydrophobicContact CD2-CG 4.44Å; Y26-K37 HydrophobicContact CE2-CB 4.38Å; Y26-K37 HydrophobicContact CE2-CD 3.59Å; Y26-K37 HydrophobicContact CE2-CG 4.1Å; Y26-K37 PolarHBondContact OH-NZ 2.85Å; V27-K37 CarbonylContact O-C 3.52Å; V27-K37 VanDerWaalsContact O-CA 3.28Å; V27-K37 WeakPolarHBondContact O-CA 3.47Å; V28-K37 HydrophobicContact CG1-CG 4.5Å; V28-K37 HydrophobicContact CG2-CG 4.14Å |
| 38 | T | 93.8 | Very high | 88.4 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 169.3 | 168.2 | 51.4 | 0 | 0 | 0 | 0 | 111.4 | V8 V27 W49 E51 I53 | V8-T38 HydrophobicContact CB-CG2 4.01Å; V8-T38 HydrophobicContact CG1-CG2 4.27Å; V8-T38 HydrophobicContact CG2-CG2 4.16Å; V27-T38 WeakPolarHBondContact CA-OG1 3.42Å; V27-T38 HydrophobicContact CB-CG2 4.2Å; V27-T38 PolarHBondContact N-OG1 2.89Å; V27-T38 PolarHBondContact O-N 3.42Å; V27-T38 PolarHBondContact O-OG1 3.24Å; T38-W49 HydrophobicContact CG2-CG 4.48Å; T38-E51 WeakPolarHBondContact CA-OE2 3.21Å; T38-E51 WeakPolarHBondContact CB-OE2 3.35Å; T38-E51 HydrophobicContact CG2-CB 4.11Å; T38-I53 HydrophobicContact CG2-CD1 3.93Å |
| 39 | K | 89.2 | Confident | 88.3 | Confident | 143 Ų | 143 | 65 Ų | 65 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 144.3 | 169 | -70.9 | -177 | -163.3 | 103.7 | 0 | 111.3 | W49 E51 | K39-W49 PolarHBondContact O-NE1 3.32Å; K39-E51 VanDerWaalsContact CD-OE1 3.23Å; K39-E51 WeakPolarHBondContact CD-OE1 3.42Å; K39-E51 WeakPolarHBondContact CE-OE1 3.39Å; K39-E51 WeakPolarHBondContact CG-OE1 3.33Å; K39-E51 PolarHBondContact N-OE2 3.15Å; K39-E51 IonicContact NZ-OE1 3.79Å; K39-E51 PolarHBondContact NZ-OE1 2.98Å |
| 40 | V | 91.9 | Very high | 88.1 | Confident | 48 Ų | 48 | 70 Ų | 70 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 139.9 | 171 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | D24 Y26 F75 | D24-V40 HydrophobicContact CB-CG1 3.89Å; D24-V40 WeakPolarHBondContact O-CG1 3.43Å; Y26-V40 HydrophobicContact CD1-CG2 4.01Å; Y26-V40 HydrophobicContact CG-CG2 4.23Å; V40-F75 HydrophobicContact CB-CB 4.32Å; V40-F75 HydrophobicContact CB-CG 4.49Å; V40-F75 HydrophobicContact CG1-CB 3.53Å; V40-F75 HydrophobicContact CG1-CD1 3.98Å; V40-F75 HydrophobicContact CG1-CG 3.95Å; V40-F75 HydrophobicContact CG2-CB 3.75Å; V40-F75 HydrophobicContact CG2-CD1 4.29Å; V40-F75 HydrophobicContact CG2-CD2 4.07Å; V40-F75 HydrophobicContact CG2-CG 3.77Å |
| 41 | K | 87 | Confident | 87.9 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | trans | -113.9 | 107.1 | 174.5 | -70.5 | -74.9 | 171.9 | 155.8 | 0 | 109.4 | D24 P25 P47 V48 | D24-K41 CarbonylContact C-O 3.44Å; D24-K41 VanDerWaalsContact CA-O 3.23Å; D24-K41 WeakPolarHBondContact CA-O 3.23Å; P25-K41 WeakPolarHBondContact CD-O 3.43Å; P25-K41 PolarHBondContact O-N 2.96Å; K41-P47 HydrophobicContact CB-CB 3.96Å; K41-P47 HydrophobicContact CG-CB 4.03Å; K41-V48 WeakPolarHBondContact CE-O 3.25Å; K41-V48 PolarHBondContact NZ-O 3.49Å | ||
| 42 | D | 83.7 | Confident | 87.9 | Confident | 115 Ų | 115 | 75 Ų | 75 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 135.4 | -176.2 | -55.8 | -13.5 | 0 | 0 | 0 | 111.7 | D24 D44 | D24-D42 WeakPolarHBondContact OD1-CA 3.23Å; D42-D44 PolarHBondContact O-N 3.32Å |
| 43 | D | 82.8 | Confident | 88.3 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 39.8 | 173.2 | -83.6 | -47.2 | 0 | 0 | 0 | 115.8 | K22 D24 | K22-D43 HydrophobicContact CB-CB 4.26Å; K22-D43 WeakPolarHBondContact CD-O 3.49Å; K22-D43 PolarHBondContact N-OD1 3.26Å; D24-D43 PolarHBondContact OD1-N 2.99Å |
| 44 | D | 87.8 | Confident | 88.6 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | trans | -133.3 | 117.2 | -175.6 | -163.8 | -4 | 0 | 0 | 0 | 114.2 | S23 P25 D42 N46 P47 | S23-D44 PolarHBondContact O-N 3.22Å; S23-D44 VanDerWaalsContact O-N 3.12Å; P25-D44 WeakPolarHBondContact CD-O 3.35Å; P25-D44 WeakPolarHBondContact CG-O 3.26Å; D42-D44 PolarHBondContact O-N 3.32Å; D44-N46 PolarHBondContact OD1-N 3.05Å; D44-P47 WeakPolarHBondContact OD2-CA 3.39Å | ||
| 45 | L | 87.2 | Confident | 88.9 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -90.7 | -4.9 | 176.8 | -57.5 | 177.1 | 0 | 0 | 0 | 113.5 | L14 N16 K22 | L14-L45 HydrophobicContact CB-CB 4.48Å; L14-L45 WeakPolarHBondContact CB-O 3.49Å; L14-L45 PolarHBondContact N-O 3.44Å; N16-L45 HydrophobicContact CB-CD1 3.87Å; N16-L45 HydrophobicContact CB-CD2 3.96Å; K22-L45 HydrophobicContact CB-CD2 4.39Å; K22-L45 HydrophobicContact CB-CG 4.28Å; K22-L45 HydrophobicContact CD-CG 4.37Å; K22-L45 HydrophobicContact CG-CD1 4.36Å; K22-L45 HydrophobicContact CG-CG 4.24Å |
| 46 | N | 89.6 | Confident | 88.5 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -127.1 | 54.4 | 172.4 | -57.5 | -79.8 | 0 | 0 | 0 | 110.2 | A11 N12 N13 D44 | A11-N46 CarbonylContact O-C 3.59Å; A11-N46 WeakPolarHBondContact O-CA 3.28Å; N12-N46 WeakPolarHBondContact CA-OD1 3.36Å; N13-N46 PolarHBondContact N-OD1 3.44Å; D44-N46 PolarHBondContact OD1-N 3.05Å |
| 47 | P | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -64.1 | 138.4 | -170.1 | 31 | -40 | 0 | 0 | 0 | 111.5 | K10 A11 L14 P25 K41 D44 W49 | K10-P47 CarbonylContact C-O 3.54Å; K10-P47 WeakPolarHBondContact CA-O 3.45Å; K10-P47 VanDerWaalsContact CB-O 3.24Å; K10-P47 WeakPolarHBondContact CB-O 3.45Å; A11-P47 HydrophobicContact CB-CG 4.09Å; A11-P47 PolarHBondContact N-O 3.01Å; L14-P47 HydrophobicContact CD1-CG 3.6Å; P25-P47 HydrophobicContact CB-CG 4.2Å; P25-P47 HydrophobicContact CG-CB 3.78Å; P25-P47 HydrophobicContact CG-CG 3.52Å; K41-P47 HydrophobicContact CB-CB 3.96Å; K41-P47 HydrophobicContact CG-CB 4.03Å; D44-P47 WeakPolarHBondContact OD2-CA 3.39Å; P47-W49 HydrophobicContact CB-CD2 4.38Å; P47-W49 HydrophobicContact CB-CH2 3.93Å; P47-W49 HydrophobicContact CB-CZ2 3.7Å; P47-W49 HydrophobicContact CB-CZ3 4.34Å; P47-W49 HydrophobicContact CG-CE3 4.4Å; P47-W49 HydrophobicContact CG-CH2 3.19Å; P47-W49 HydrophobicContact CG-CZ2 3.4Å; P47-W49 HydrophobicContact CG-CZ3 3.75Å | ||
| 48 | V | 90 | Very high | 87.5 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113.5 | 168.9 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | K9 K10 K41 | K9-V48 CarbonylContact O-C 3.49Å; K10-V48 HydrophobicContact CB-CB 4.28Å; K10-V48 HydrophobicContact CB-CG1 4.36Å; K10-V48 HydrophobicContact CB-CG2 3.91Å; K41-V48 WeakPolarHBondContact CE-O 3.25Å; K41-V48 PolarHBondContact NZ-O 3.49Å |
| 49 | W | 92 | Very high | 86.4 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 5% | 0.053 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -52.5 | 177.3 | -63 | -82.4 | 0 | 0 | 0 | 111.1 | V8 K9 A11 P25 V27 T38 K39 P47 E51 V72 I119 | V8-W49 HydrophobicContact CG1-CD2 4.39Å; V8-W49 HydrophobicContact CG1-CE3 3.81Å; V8-W49 HydrophobicContact CG1-CZ3 4.34Å; K9-W49 PolarHBondContact O-N 3.49Å; A11-W49 HydrophobicContact CB-CH2 3.81Å; A11-W49 HydrophobicContact CB-CZ3 3.66Å; P25-W49 HydrophobicContact CB-CZ2 4.03Å; P25-W49 HydrophobicContact CG-CZ2 4.32Å; P25-W49 PolarHBondContact O-NE1 3.12Å; V27-W49 HydrophobicContact CG2-CD2 4.11Å; V27-W49 HydrophobicContact CG2-CE3 3.89Å; V27-W49 HydrophobicContact CG2-CH2 3.35Å; V27-W49 HydrophobicContact CG2-CZ2 3.62Å; V27-W49 HydrophobicContact CG2-CZ3 3.5Å; T38-W49 HydrophobicContact CG2-CG 4.48Å; K39-W49 PolarHBondContact O-NE1 3.32Å; P47-W49 HydrophobicContact CB-CD2 4.38Å; P47-W49 HydrophobicContact CB-CH2 3.93Å; P47-W49 HydrophobicContact CB-CZ2 3.7Å; P47-W49 HydrophobicContact CB-CZ3 4.34Å; P47-W49 HydrophobicContact CG-CE3 4.4Å; P47-W49 HydrophobicContact CG-CH2 3.19Å; P47-W49 HydrophobicContact CG-CZ2 3.4Å; P47-W49 HydrophobicContact CG-CZ3 3.75Å; W49-E51 HydrophobicContact CB-CB 4.47Å; W49-E51 HydrophobicContact CB-CG 4.37Å; W49-E51 PolarHBondContact O-N 3.42Å; W49-V72 HydrophobicContact CH2-CG1 4.47Å; W49-I119 HydrophobicContact CZ3-CD1 4.49Å |
| 50 | D | 89.1 | Confident | 85.7 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 47.2 | -171.7 | -152 | 28.7 | 0 | 0 | 0 | 111.7 | V8 K9 | V8-D50 VanDerWaalsContact O-CA 3.3Å; V8-D50 WeakPolarHBondContact O-CA 3.39Å; V8-D50 PolarHBondContact O-N 3.25Å; K9-D50 PolarHBondContact O-N 3.44Å |
| 51 | E | 88.9 | Confident | 85.1 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.2 | -178 | -73.3 | -165.9 | 155.4 | 0 | 0 | 111.6 | N7 V8 T38 K39 W49 | N7-E51 WeakPolarHBondContact CA-O 3.34Å; V8-E51 PolarHBondContact N-O 3.34Å; V8-E51 PolarHBondContact O-N 3.06Å; V8-E51 VanDerWaalsContact O-N 3.08Å; T38-E51 WeakPolarHBondContact CA-OE2 3.21Å; T38-E51 WeakPolarHBondContact CB-OE2 3.35Å; T38-E51 HydrophobicContact CG2-CB 4.11Å; K39-E51 VanDerWaalsContact CD-OE1 3.23Å; K39-E51 WeakPolarHBondContact CD-OE1 3.42Å; K39-E51 WeakPolarHBondContact CE-OE1 3.39Å; K39-E51 WeakPolarHBondContact CG-OE1 3.33Å; K39-E51 PolarHBondContact N-OE2 3.15Å; K39-E51 IonicContact NZ-OE1 3.79Å; K39-E51 PolarHBondContact NZ-OE1 2.98Å; W49-E51 HydrophobicContact CB-CB 4.47Å; W49-E51 HydrophobicContact CB-CG 4.37Å; W49-E51 PolarHBondContact O-N 3.42Å |
| 52 | E | 89.6 | Confident | 84.8 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 46% | 0.458 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120 | 174.3 | -170.1 | 179.7 | -157.1 | 0 | 0 | 111.1 | H5 N7 I54 | H5-E52 IonicContact CE1-OE1 2.89Å; H5-E52 IonicContact CG-OE1 2.75Å; H5-E52 IonicContact ND1-OE1 3.6Å; H5-E52 PolarHBondContact ND1-OE1 3.45Å; N7-E52 HydrophobicContact CB-CB 4.48Å; E52-I54 HydrophobicContact CG-CG1 4.33Å |
| 53 | I | 88.8 | Confident | 84.6 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.5 | 174.6 | -73.6 | 169.6 | 0 | 0 | 0 | 108.1 | V6 V8 V29 Q36 T38 I55 | V6-I53 HydrophobicContact CB-CB 4.39Å; V6-I53 PolarHBondContact N-O 2.94Å; V6-I53 PolarHBondContact O-N 3.04Å; V8-I53 HydrophobicContact CG2-CD1 4.43Å; V29-I53 HydrophobicContact CB-CD1 4.23Å; V29-I53 HydrophobicContact CB-CG2 4.48Å; V29-I53 HydrophobicContact CG2-CD1 3.57Å; Q36-I53 HydrophobicContact CB-CD1 4.29Å; Q36-I53 HydrophobicContact CB-CG1 4.48Å; Q36-I53 HydrophobicContact CB-CG2 3.78Å; Q36-I53 HydrophobicContact CG-CG2 4.27Å; T38-I53 HydrophobicContact CG2-CD1 3.93Å; I53-I55 HydrophobicContact CG2-CD1 4.49Å; I53-I55 HydrophobicContact CG2-CG1 4.05Å |
| 54 | I | 87.3 | Confident | 84.2 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 43% | 0.431 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.6 | 178.8 | -53.7 | 177 | 0 | 0 | 0 | 108.6 | A3 Q36 E52 | A3-I54 HydrophobicContact CB-CG2 4.07Å; Q36-I54 PolarHBondContact NE2-O 3.39Å; E52-I54 HydrophobicContact CG-CG1 4.33Å |
| 55 | I | 86.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.2 | 178.9 | -57.1 | 173.9 | 0 | 0 | 0 | 108.1 | A3 L4 V6 V29 F31 Q34 I53 L57 | A3-I55 WeakPolarHBondContact CA-O 3.38Å; L4-I55 HydrophobicContact CB-CB 4.37Å; L4-I55 PolarHBondContact N-O 3.04Å; L4-I55 PolarHBondContact O-N 3.11Å; V6-I55 HydrophobicContact CG2-CD1 4.09Å; V29-I55 HydrophobicContact CG1-CD1 3.92Å; F31-I55 HydrophobicContact CB-CD1 3.77Å; F31-I55 HydrophobicContact CB-CG2 4.38Å; F31-I55 HydrophobicContact CD1-CG2 4.07Å; Q34-I55 HydrophobicContact CB-CG2 4.45Å; I53-I55 HydrophobicContact CG2-CD1 4.49Å; I53-I55 HydrophobicContact CG2-CG1 4.05Å; I55-L57 HydrophobicContact CG2-CD2 4.47Å; I55-L57 PolarHBondContact O-N 3.02Å |
| 56 | D | 82.1 | Confident | 83.8 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.4 | 173.6 | 179.9 | 6.4 | 0 | 0 | 0 | 109.9 | Q34 K58 | Q34-D56 PolarHBondContact NE2-O 3Å; D56-K58 PolarHBondContact O-N 3.09Å; D56-K58 PolarHBondContact OD1-N 3.28Å |
| 57 | L | 81.6 | Confident | 83.9 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | trans | -82.8 | 5.9 | -179.1 | -56.8 | 169 | 0 | 0 | 0 | 112.5 | Y2 L4 F31 I55 G59 K60 L62 Y125 | Y2-L57 WeakPolarHBondContact O-CB 3.31Å; Y2-L57 PolarHBondContact O-N 2.94Å; L4-L57 HydrophobicContact CB-CD2 4.49Å; F31-L57 HydrophobicContact CD1-CD2 3.83Å; F31-L57 HydrophobicContact CE1-CD2 3.27Å; F31-L57 HydrophobicContact CZ-CD2 4.05Å; I55-L57 HydrophobicContact CG2-CD2 4.47Å; I55-L57 PolarHBondContact O-N 3.02Å; L57-G59 PolarHBondContact O-N 2.87Å; L57-G59 VanDerWaalsContact O-N 3.11Å; L57-K60 WeakPolarHBondContact CB-O 3.41Å; L57-K60 PolarHBondContact O-N 2.92Å; L57-L62 HydrophobicContact CD1-CD1 4.48Å; L57-L62 HydrophobicContact CD1-CD2 4.43Å; L57-L62 HydrophobicContact CD1-CG 3.95Å; L57-L62 HydrophobicContact CD2-CD2 4.46Å; L57-Y125 HydrophobicContact CD1-CD2 4.15Å; L57-Y125 HydrophobicContact CD1-CE2 3.54Å | ||
| 58 | K | 77.2 | Confident | 83.9 | Confident | 166 Ų | 166 | 60.3 Ų | 60.3 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 39.7 | 174.7 | -59.8 | -173.7 | -179.9 | -178.1 | 0 | 113 | D56 | D56-K58 PolarHBondContact O-N 3.09Å; D56-K58 PolarHBondContact OD1-N 3.28Å |
| 59 | G | 70.6 | Confident | 84 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -3.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L57 | L57-G59 PolarHBondContact O-N 2.87Å; L57-G59 VanDerWaalsContact O-N 3.11Å |
| 60 | K | 75.3 | Confident | 84.2 | Confident | 148 Ų | 148 | 57.7 Ų | 57.7 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -90 | 128.4 | 176.5 | -64.2 | -174.8 | 179.4 | -176.5 | 0 | 111.1 | L57 | L57-K60 WeakPolarHBondContact CB-O 3.41Å; L57-K60 PolarHBondContact O-N 2.92Å |
| 61 | P | 78.8 | Confident | 84.4 | Confident | 74 Ų | 74 | 55.7 Ų | 55.7 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 152 | 173.4 | 30.8 | -33.4 | 0 | 0 | 0 | 111.4 | Y2 Y125 | Y2-P61 HydrophobicContact CD1-CB 4.49Å; Y2-P61 HydrophobicContact CE1-CB 4.17Å; P61-Y125 WeakPolarHBondContact CA-OH 3.37Å; P61-Y125 WeakPolarHBondContact CB-OH 3.49Å |
| 62 | L | 80.6 | Confident | 84.7 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 145.4 | 170.8 | -74.9 | 170 | 0 | 0 | 0 | 111.5 | L4 F31 L57 D66 L91 L95 Y125 | L4-L62 HydrophobicContact CD1-CD1 4.15Å; F31-L62 HydrophobicContact CE1-CD2 4.35Å; F31-L62 HydrophobicContact CE2-CD2 3.91Å; F31-L62 HydrophobicContact CZ-CD2 3.48Å; F31-L62 VanDerWaalsContact CZ-CD2 3.48Å; L57-L62 HydrophobicContact CD1-CD1 4.48Å; L57-L62 HydrophobicContact CD1-CD2 4.43Å; L57-L62 HydrophobicContact CD1-CG 3.95Å; L57-L62 HydrophobicContact CD2-CD2 4.46Å; L62-D66 HydrophobicContact CD2-CB 4.1Å; L62-L91 HydrophobicContact CD1-CD1 4.31Å; L62-L91 HydrophobicContact CD2-CD1 3.58Å; L62-L95 HydrophobicContact CB-CD2 3.57Å; L62-L95 WeakPolarHBondContact O-CD2 3.22Å; L62-Y125 HydrophobicContact CB-CE2 4.35Å; L62-Y125 HydrophobicContact CD1-CD1 4.4Å; L62-Y125 HydrophobicContact CD1-CD2 3.48Å; L62-Y125 VanDerWaalsContact CD1-CD2 3.48Å; L62-Y125 HydrophobicContact CD1-CE2 3.77Å; L62-Y125 HydrophobicContact CD1-CG 3.81Å; L62-Y125 HydrophobicContact CG-CD2 4.16Å; L62-Y125 HydrophobicContact CG-CE2 3.92Å; L62-Y125 PolarHBondContact N-OH 3.36Å |
| 63 | V | 79.6 | Confident | 84.9 | Confident | 77 Ų | 77 | 50.7 Ų | 50.7 | 47% | 0.467 | 28% | 0.284 | S | S | . | . | trans | -114.5 | 159.6 | 172.2 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | S65 D66 | V63-S65 PolarHBondContact O-N 3.41Å; V63-S65 VanDerWaalsContact O-N 3.11Å; V63-D66 HydrophobicContact CG2-CB 4.47Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.39Å; V63-D66 PolarHBondContact N-OD2 3.19Å; V63-D66 WeakPolarHBondContact O-CB 3.4Å; V63-D66 PolarHBondContact O-N 2.93Å | ||
| 64 | A | 75.3 | Confident | 85 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q92 L95 | A64-Q92 HydrophobicContact CB-CG 4.29Å; A64-L95 HydrophobicContact CB-CD1 4.14Å |
| 65 | S | 78.8 | Confident | 85.1 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 66% | 0.657 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -4.8 | 177.3 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | V63 N67 | V63-S65 PolarHBondContact O-N 3.41Å; V63-S65 VanDerWaalsContact O-N 3.11Å; S65-N67 PolarHBondContact O-ND2 2.96Å |
| 66 | D | 87.5 | Confident | 85 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | trans | -69.5 | 140.3 | -179.9 | -80.1 | -38.8 | 0 | 0 | 0 | 111.7 | F31 Q32 L62 V63 L91 | F31-D66 HydrophobicContact CE2-CB 4.13Å; F31-D66 HydrophobicContact CZ-CB 4.42Å; Q32-D66 PolarHBondContact NE2-OD1 3.3Å; L62-D66 HydrophobicContact CD2-CB 4.1Å; V63-D66 HydrophobicContact CG2-CB 4.47Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.39Å; V63-D66 PolarHBondContact N-OD2 3.19Å; V63-D66 WeakPolarHBondContact O-CB 3.4Å; V63-D66 PolarHBondContact O-N 2.93Å; D66-L91 HydrophobicContact CB-CB 4.45Å; D66-L91 HydrophobicContact CB-CD1 4.09Å; D66-L91 WeakPolarHBondContact O-CB 3.46Å; D66-L91 PolarHBondContact O-N 3.48Å | ||
| 67 | N | 90.5 | Very high | 84.7 | Confident | 67 Ų | 67 | 56.6 Ų | 56.6 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 147.6 | 177.1 | -58.5 | -68.1 | 0 | 0 | 0 | 110.1 | S65 L88 I89 P90 | S65-N67 PolarHBondContact O-ND2 2.96Å; N67-L88 HydrophobicContact CB-CD1 3.8Å; N67-L88 HydrophobicContact CB-CD2 4.33Å; N67-L88 HydrophobicContact CB-CG 3.9Å; N67-I89 CarbonylContact C-O 3.6Å; N67-I89 VanDerWaalsContact CA-O 3.29Å; N67-I89 WeakPolarHBondContact CA-O 3.22Å; N67-P90 WeakPolarHBondContact OD1-CA 3.49Å |
| 68 | V | 91 | Very high | 84.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.3 | 169.1 | 76.3 | 0 | 0 | 0 | 0 | 110.2 | V29 F31 I70 I89 L91 | V29-V68 HydrophobicContact CG1-CG2 3.76Å; F31-V68 HydrophobicContact CB-CG2 4Å; F31-V68 HydrophobicContact CD2-CB 4.31Å; F31-V68 HydrophobicContact CD2-CG2 4.34Å; V68-I70 HydrophobicContact CG1-CD1 4.4Å; V68-I89 HydrophobicContact CG1-CB 3.88Å; V68-I89 HydrophobicContact CG1-CG2 4.45Å; V68-I89 PolarHBondContact N-O 3.05Å; V68-I89 PolarHBondContact O-N 3.33Å; V68-L91 HydrophobicContact CB-CD2 4.33Å; V68-L91 HydrophobicContact CG1-CD2 4.09Å |
| 69 | L | 93.6 | Very high | 84.2 | Confident | 37 Ų | 37 | 58 Ų | 58 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123 | 179 | 178.8 | 63.7 | 0 | 0 | 0 | 109.7 | D30 K71 Q86 L88 | D30-L69 HydrophobicContact CB-CB 4.31Å; D30-L69 PolarHBondContact N-O 2.77Å; D30-L69 PolarHBondContact O-N 2.92Å; L69-K71 HydrophobicContact CG-CG 4.42Å; L69-Q86 HydrophobicContact CD1-CB 4.43Å; L69-L88 HydrophobicContact CB-CD1 4Å; L69-L88 HydrophobicContact CD1-CB 4.48Å; L69-L88 HydrophobicContact CD1-CD1 4.14Å |
| 70 | I | 94.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.4 | 177.6 | -55.6 | -62.9 | 0 | 0 | 0 | 108.5 | V6 V27 V28 V29 V68 Q86 A87 I89 I119 L121 | V6-I70 HydrophobicContact CG1-CD1 4.45Å; V27-I70 HydrophobicContact CG1-CG2 3.52Å; V28-I70 WeakPolarHBondContact O-CA 3.42Å; V29-I70 HydrophobicContact CB-CD1 4.19Å; V29-I70 HydrophobicContact CG1-CD1 3.91Å; V29-I70 HydrophobicContact CG2-CD1 3.77Å; V68-I70 HydrophobicContact CG1-CD1 4.4Å; I70-Q86 CarbonylContact O-C 3.58Å; I70-Q86 WeakPolarHBondContact O-CA 3.32Å; I70-Q86 WeakPolarHBondContact O-CB 3.43Å; I70-A87 PolarHBondContact N-O 3.42Å; I70-A87 PolarHBondContact O-N 2.96Å; I70-I89 HydrophobicContact CG1-CD1 3.67Å; I70-I89 HydrophobicContact CG1-CG1 4.45Å; I70-I119 HydrophobicContact CG2-CD1 3.78Å; I70-L121 HydrophobicContact CD1-CD2 4.16Å; I70-L121 HydrophobicContact CG1-CD2 3.92Å |
| 71 | K | 94.7 | Very high | 85.2 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.2 | 174.6 | -66.1 | 178 | 175.8 | 167.4 | 0 | 110.6 | V27 V28 L69 G85 Q86 | V27-K71 CarbonylContact C-O 3.09Å; V27-K71 WeakPolarHBondContact CA-O 3.46Å; V28-K71 HydrophobicContact CB-CB 4.27Å; V28-K71 PolarHBondContact N-O 3.44Å; V28-K71 PolarHBondContact O-N 3.47Å; L69-K71 HydrophobicContact CG-CG 4.42Å; K71-G85 CarbonylContact C-O 3.49Å; K71-G85 WeakPolarHBondContact CA-O 3.4Å; K71-Q86 HydrophobicContact CG-CB 3.85Å |
| 72 | V | 94.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.7 | 173.1 | -171 | 0 | 0 | 0 | 0 | 108.9 | L14 P25 V27 W49 M84 G85 L107 I119 | L14-V72 HydrophobicContact CD1-CG1 3.99Å; L14-V72 HydrophobicContact CD2-CB 4.5Å; L14-V72 HydrophobicContact CD2-CG1 3.87Å; P25-V72 HydrophobicContact CB-CG1 4.29Å; V27-V72 HydrophobicContact CG2-CG2 4.24Å; W49-V72 HydrophobicContact CH2-CG1 4.47Å; V72-M84 HydrophobicContact CB-CB 4.38Å; V72-M84 HydrophobicContact CG1-CB 4.29Å; V72-M84 HydrophobicContact CG1-SD 4.17Å; V72-M84 WeakPolarHBondContact O-CB 3.34Å; V72-M84 PolarHBondContact O-N 2.94Å; V72-G85 PolarHBondContact N-O 2.75Å; V72-G85 PolarHBondContact O-N 3Å; V72-L107 HydrophobicContact CB-CD1 4.16Å; V72-L107 HydrophobicContact CG2-CD1 3.58Å; V72-L107 HydrophobicContact CG2-CD2 3.87Å; V72-L107 HydrophobicContact CG2-CG 4.4Å; V72-I119 HydrophobicContact CG2-CD1 3.79Å |
| 73 | M | 93.6 | Very high | 86.2 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 15% | 0.148 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147.6 | -173.5 | -57.4 | -62.1 | -62.1 | 0 | 0 | 109.4 | P25 Y26 V28 D81 K82 F83 | P25-M73 CarbonylContact C-O 3.16Å; P25-M73 WeakPolarHBondContact CA-O 3.17Å; Y26-M73 HydrophobicContact CD1-CB 3.97Å; Y26-M73 HydrophobicContact CD2-CB 4.47Å; Y26-M73 HydrophobicContact CE1-CB 3.5Å; Y26-M73 HydrophobicContact CE1-CG 4.45Å; Y26-M73 HydrophobicContact CE2-CB 4.01Å; Y26-M73 HydrophobicContact CE2-CG 4.2Å; Y26-M73 HydrophobicContact CG-CB 4.46Å; Y26-M73 PolarHBondContact N-O 3.46Å; Y26-M73 PolarHBondContact O-N 3.48Å; V28-M73 HydrophobicContact CG2-CG 3.97Å; M73-D81 HydrophobicContact CE-CB 4.22Å; M73-K82 CarbonylContact C-O 3.57Å; M73-K82 WeakPolarHBondContact CA-O 3.49Å; M73-F83 HydrophobicContact CE-CB 4.33Å; M73-F83 HydrophobicContact SD-CB 4.24Å; M73-F83 HydrophobicContact SD-CD2 3.93Å |
| 74 | D | 92.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.4 | 170.7 | -167.5 | 8 | 0 | 0 | 0 | 108.9 | I17 S23 D24 D81 K82 M84 | I17-D74 HydrophobicContact CD1-CB 3.69Å; I17-D74 HydrophobicContact CG1-CB 4.04Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.3Å; S23-D74 WeakPolarHBondContact CA-OD1 3.23Å; S23-D74 VanDerWaalsContact CB-CG 3.41Å; S23-D74 WeakPolarHBondContact CB-OD1 3.36Å; S23-D74 WeakPolarHBondContact CB-OD2 3.2Å; S23-D74 PolarHBondContact OG-OD2 3.41Å; D24-D74 WeakPolarHBondContact CA-OD1 3.47Å; D24-D74 PolarHBondContact N-OD1 3.13Å; D74-D81 CarbonylContact O-C 3.38Å; D74-D81 WeakPolarHBondContact O-CA 3.33Å; D74-D81 VanDerWaalsContact O-CB 3.26Å; D74-D81 WeakPolarHBondContact O-CB 3.42Å; D74-K82 HydrophobicContact CB-CB 4.27Å; D74-K82 PolarHBondContact N-O 3.21Å; D74-K82 PolarHBondContact O-N 3.18Å; D74-M84 HydrophobicContact CB-CG 3.96Å; D74-M84 HydrophobicContact CB-SD 3.77Å |
| 75 | F | 88.5 | Confident | 87.2 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | trans | -83.7 | 127.3 | -178.6 | 177.1 | -103.7 | 0 | 0 | 0 | 111.1 | D24 Y26 V40 K77 | D24-F75 HydrophobicContact CB-CB 4.21Å; D24-F75 WeakPolarHBondContact O-CB 3.45Å; D24-F75 PolarHBondContact O-N 3.39Å; Y26-F75 HydrophobicContact CD1-CB 4.01Å; Y26-F75 HydrophobicContact CE1-CB 4.15Å; V40-F75 HydrophobicContact CB-CB 4.32Å; V40-F75 HydrophobicContact CB-CG 4.49Å; V40-F75 HydrophobicContact CG1-CB 3.53Å; V40-F75 HydrophobicContact CG1-CD1 3.98Å; V40-F75 HydrophobicContact CG1-CG 3.95Å; V40-F75 HydrophobicContact CG2-CB 3.75Å; V40-F75 HydrophobicContact CG2-CD1 4.29Å; V40-F75 HydrophobicContact CG2-CD2 4.07Å; V40-F75 HydrophobicContact CG2-CG 3.77Å; F75-K77 HydrophobicContact CE1-CG 3.95Å | ||
| 76 | D | 84 | Confident | 88 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | trans | -117.8 | 130.1 | 177.2 | -98.8 | -55 | 0 | 0 | 0 | 110.4 | V78 T79 D81 K82 | D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 2.8Å; D76-T79 WeakPolarHBondContact CB-O 3.49Å; D76-T79 WeakPolarHBondContact CB-OG1 3.32Å; D76-T79 PolarHBondContact OD1-OG1 2.99Å; D76-T79 PolarHBondContact OD2-OG1 3.12Å; D76-D81 PolarHBondContact N-OD1 3.11Å; D76-K82 IonicContact OD1-NZ 3.49Å; D76-K82 VanDerWaalsContact OD2-CE 3.22Å; D76-K82 WeakPolarHBondContact OD2-CE 3.04Å; D76-K82 IonicContact OD2-NZ 3.56Å; D76-K82 PolarHBondContact OD2-NZ 2.97Å | ||
| 77 | K | 76.7 | Confident | 88.2 | Confident | 187 Ų | 187 | 49.4 Ų | 49.4 | 81% | 0.813 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -68.5 | -27.5 | 177.8 | -83.9 | 178.4 | -178.8 | 158.6 | 0 | 114 | F75 | F75-K77 HydrophobicContact CE1-CG 3.95Š|
| 78 | V | 74.1 | Confident | 88.3 | Confident | 141 Ų | 141 | 51.2 Ų | 51.2 | 86% | 0.855 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -120 | -32.7 | -169.6 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | D76 | D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 2.8Å |
| 79 | T | 73.9 | Confident | 88.3 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -105.7 | 164.2 | 178.8 | 41.9 | 0 | 0 | 0 | 0 | 111.9 | D76 D81 | D76-T79 WeakPolarHBondContact CB-O 3.49Å; D76-T79 WeakPolarHBondContact CB-OG1 3.32Å; D76-T79 PolarHBondContact OD1-OG1 2.99Å; D76-T79 PolarHBondContact OD2-OG1 3.12Å; T79-D81 PolarHBondContact O-N 2.95Å |
| 80 | P | 77.8 | Confident | 88 | Confident | 116 Ų | 116 | 53.2 Ų | 53.2 | 75% | 0.753 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 135.7 | 173.4 | -19.1 | 31.3 | 0 | 0 | 0 | 111.3 | K82 | P80-K82 PolarHBondContact O-N 2.81Š|
| 81 | D | 89.4 | Confident | 87.6 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -47.7 | 130.5 | 176.2 | -61.8 | -9.4 | 0 | 0 | 0 | 112.1 | Y26 M73 D74 D76 T79 | Y26-D81 HydrophobicContact CE1-CB 4.3Å; Y26-D81 VanDerWaalsContact CE1-OD2 3.29Å; Y26-D81 WeakPolarHBondContact CE1-OD2 3.29Å; Y26-D81 VanDerWaalsContact CZ-OD2 3.3Å; Y26-D81 PolarHBondContact OH-OD2 3.04Å; M73-D81 HydrophobicContact CE-CB 4.22Å; D74-D81 CarbonylContact O-C 3.38Å; D74-D81 WeakPolarHBondContact O-CA 3.33Å; D74-D81 VanDerWaalsContact O-CB 3.26Å; D74-D81 WeakPolarHBondContact O-CB 3.42Å; D76-D81 PolarHBondContact N-OD1 3.11Å; T79-D81 PolarHBondContact O-N 2.95Å |
| 82 | K | 87.5 | Confident | 86.9 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 30% | 0.296 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.5 | -171.9 | -60.2 | 173 | -175 | 115.6 | 0 | 110.6 | I17 E18 M73 D74 D76 P80 | I17-K82 HydrophobicContact CD1-CB 3.36Å; I17-K82 HydrophobicContact CD1-CD 4.05Å; I17-K82 HydrophobicContact CD1-CG 4.37Å; I17-K82 HydrophobicContact CG1-CB 4.4Å; I17-K82 HydrophobicContact CG1-CD 4.28Å; E18-K82 IonicContact OE1-NZ 3.22Å; E18-K82 PolarHBondContact OE1-NZ 3.43Å; E18-K82 IonicContact OE2-NZ 3.13Å; M73-K82 CarbonylContact C-O 3.57Å; M73-K82 WeakPolarHBondContact CA-O 3.49Å; D74-K82 HydrophobicContact CB-CB 4.27Å; D74-K82 PolarHBondContact N-O 3.21Å; D74-K82 PolarHBondContact O-N 3.18Å; D76-K82 IonicContact OD1-NZ 3.49Å; D76-K82 VanDerWaalsContact OD2-CE 3.22Å; D76-K82 WeakPolarHBondContact OD2-CE 3.04Å; D76-K82 IonicContact OD2-NZ 3.56Å; D76-K82 PolarHBondContact OD2-NZ 2.97Å; P80-K82 PolarHBondContact O-N 2.81Å |
| 83 | F | 91.7 | Very high | 86 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.5 | -178.6 | 173.6 | -94.2 | 0 | 0 | 0 | 112.1 | M73 G85 Q86 K110 | M73-F83 HydrophobicContact CE-CB 4.33Å; M73-F83 HydrophobicContact SD-CB 4.24Å; M73-F83 HydrophobicContact SD-CD2 3.93Å; F83-G85 VanDerWaalsContact CE2-C 3.47Å; F83-G85 VanDerWaalsContact CE2-O 3.29Å; F83-G85 WeakPolarHBondContact CE2-O 3.46Å; F83-Q86 HydrophobicContact CE2-CB 3.92Å; F83-Q86 HydrophobicContact CE2-CG 4.36Å; F83-Q86 HydrophobicContact CZ-CB 3.92Å; F83-Q86 HydrophobicContact CZ-CG 3.97Å; F83-K110 HydrophobicContact CD1-CD 4.31Å; F83-K110 HydrophobicContact CD1-CG 3.56Å; F83-K110 HydrophobicContact CE1-CG 3.62Å; F83-K110 HydrophobicContact CG-CG 4.29Å; F83-K110 HydrophobicContact CZ-CG 4.39Å |
| 84 | M | 86.1 | Confident | 85.4 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -33.4 | 179.9 | -55.2 | 179.6 | 86.8 | 0 | 0 | 113.2 | L14 K15 I17 P25 V72 D74 | L14-M84 HydrophobicContact CB-CE 3.82Å; L14-M84 HydrophobicContact CD1-CE 4.34Å; K15-M84 WeakPolarHBondContact O-CE 3.44Å; I17-M84 HydrophobicContact CD1-CG 3.89Å; P25-M84 HydrophobicContact CB-SD 3.94Å; V72-M84 HydrophobicContact CB-CB 4.38Å; V72-M84 HydrophobicContact CG1-CB 4.29Å; V72-M84 HydrophobicContact CG1-SD 4.17Å; V72-M84 WeakPolarHBondContact O-CB 3.34Å; V72-M84 PolarHBondContact O-N 2.94Å; D74-M84 HydrophobicContact CB-CG 3.96Å; D74-M84 HydrophobicContact CB-SD 3.77Å |
| 85 | G | 91 | Very high | 84.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.4 | 167.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | K71 V72 F83 Q108 | K71-G85 CarbonylContact C-O 3.49Å; K71-G85 WeakPolarHBondContact CA-O 3.4Å; V72-G85 PolarHBondContact N-O 2.75Å; V72-G85 PolarHBondContact O-N 3Å; F83-G85 VanDerWaalsContact CE2-C 3.47Å; F83-G85 VanDerWaalsContact CE2-O 3.29Å; F83-G85 WeakPolarHBondContact CE2-O 3.46Å; G85-Q108 CarbonylContact C-O 3.52Å; G85-Q108 VanDerWaalsContact CA-O 3.3Å; G85-Q108 WeakPolarHBondContact CA-O 3.2Å |
| 86 | Q | 95.5 | Very high | 83.7 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 154.8 | 175.9 | 69.8 | -175.8 | 4.2 | 0 | 0 | 113.2 | L69 I70 K71 F83 Q108 | L69-Q86 HydrophobicContact CD1-CB 4.43Å; I70-Q86 CarbonylContact O-C 3.58Å; I70-Q86 WeakPolarHBondContact O-CA 3.32Å; I70-Q86 WeakPolarHBondContact O-CB 3.43Å; K71-Q86 HydrophobicContact CG-CB 3.85Å; F83-Q86 HydrophobicContact CE2-CB 3.92Å; F83-Q86 HydrophobicContact CE2-CG 4.36Å; F83-Q86 HydrophobicContact CZ-CB 3.92Å; F83-Q86 HydrophobicContact CZ-CG 3.97Å; Q86-Q108 PolarHBondContact N-O 2.9Å; Q86-Q108 WeakPolarHBondContact O-CA 3.36Å; Q86-Q108 WeakPolarHBondContact O-CB 3.18Å; Q86-Q108 PolarHBondContact O-N 2.94Å |
| 87 | A | 92.2 | Very high | 82.7 | Confident | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I70 V105 L107 | I70-A87 PolarHBondContact N-O 3.42Å; I70-A87 PolarHBondContact O-N 2.96Å; A87-V105 HydrophobicContact CB-CB 4.36Å; A87-V105 HydrophobicContact CB-CG2 3.64Å; A87-L107 HydrophobicContact CB-CD2 4.27Å |
| 88 | L | 92.3 | Very high | 82.1 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 55% | 0.55 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.7 | 172.9 | -171 | 72.8 | 0 | 0 | 0 | 108.4 | N67 L69 | N67-L88 HydrophobicContact CB-CD1 3.8Å; N67-L88 HydrophobicContact CB-CD2 4.33Å; N67-L88 HydrophobicContact CB-CG 3.9Å; L69-L88 HydrophobicContact CB-CD1 4Å; L69-L88 HydrophobicContact CD1-CB 4.48Å; L69-L88 HydrophobicContact CD1-CD1 4.14Å |
| 89 | I | 90.3 | Very high | 82.2 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.3 | -169.7 | -58.8 | 175.9 | 0 | 0 | 0 | 109.7 | N67 V68 I70 I103 V105 L121 L123 | N67-I89 CarbonylContact C-O 3.6Å; N67-I89 VanDerWaalsContact CA-O 3.29Å; N67-I89 WeakPolarHBondContact CA-O 3.22Å; V68-I89 HydrophobicContact CG1-CB 3.88Å; V68-I89 HydrophobicContact CG1-CG2 4.45Å; V68-I89 PolarHBondContact N-O 3.05Å; V68-I89 PolarHBondContact O-N 3.33Å; I70-I89 HydrophobicContact CG1-CD1 3.67Å; I70-I89 HydrophobicContact CG1-CG1 4.45Å; I89-I103 HydrophobicContact CD1-CG2 4.16Å; I89-I103 HydrophobicContact CG2-CD1 3.5Å; I89-I103 VanDerWaalsContact CG2-CD1 3.5Å; I89-I103 HydrophobicContact CG2-CG2 4.16Å; I89-V105 HydrophobicContact CD1-CG2 4.02Å; I89-V105 HydrophobicContact CG1-CG2 4.29Å; I89-L121 HydrophobicContact CD1-CD1 3.96Å; I89-L121 HydrophobicContact CD1-CD2 3.65Å; I89-L121 HydrophobicContact CD1-CG 4.24Å; I89-L123 HydrophobicContact CG2-CD1 4.11Å |
| 90 | P | 86.7 | Confident | 82.4 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 134.2 | 174.8 | -17.6 | 30.6 | 0 | 0 | 0 | 112.5 | N67 | N67-P90 WeakPolarHBondContact OD1-CA 3.49Å |
| 91 | L | 86.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -91.4 | 1.6 | -177.7 | -60.9 | -179 | 0 | 0 | 0 | 113.6 | L4 F31 L62 D66 V68 S93 V94 L123 | L4-L91 HydrophobicContact CD2-CD1 3.79Å; L4-L91 HydrophobicContact CD2-CD2 4.3Å; F31-L91 HydrophobicContact CD2-CD1 4.02Å; F31-L91 HydrophobicContact CE2-CD1 3.53Å; F31-L91 HydrophobicContact CZ-CD1 4.39Å; L62-L91 HydrophobicContact CD1-CD1 4.31Å; L62-L91 HydrophobicContact CD2-CD1 3.58Å; D66-L91 HydrophobicContact CB-CB 4.45Å; D66-L91 HydrophobicContact CB-CD1 4.09Å; D66-L91 WeakPolarHBondContact O-CB 3.46Å; D66-L91 PolarHBondContact O-N 3.48Å; V68-L91 HydrophobicContact CB-CD2 4.33Å; V68-L91 HydrophobicContact CG1-CD2 4.09Å; L91-S93 PolarHBondContact O-N 2.7Å; L91-V94 HydrophobicContact CD2-CG2 4.25Å; L91-V94 WeakPolarHBondContact O-CB 3.37Å; L91-V94 PolarHBondContact O-N 3.32Å; L91-L123 HydrophobicContact CD2-CD1 3.43Å; L91-L123 VanDerWaalsContact CD2-CD1 3.43Å | ||
| 92 | Q | 80.9 | Confident | 82.6 | Confident | 129 Ų | 129 | 56.7 Ų | 56.7 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -38.1 | -179.7 | -171.5 | 179.7 | 9.6 | 0 | 0 | 112.8 | A64 V94 | A64-Q92 HydrophobicContact CB-CG 4.29Å; Q92-V94 VanDerWaalsContact C-N 3.26Å; Q92-V94 PolarHBondContact O-N 3.34Å |
| 93 | S | 76.1 | Confident | 82.5 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.8 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | L91 | L91-S93 PolarHBondContact O-N 2.7Š|
| 94 | V | 81.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -27.3 | -177.6 | -166.4 | 0 | 0 | 0 | 0 | 111.4 | L91 Q92 S96 A97 L123 | L91-V94 HydrophobicContact CD2-CG2 4.25Å; L91-V94 WeakPolarHBondContact O-CB 3.37Å; L91-V94 PolarHBondContact O-N 3.32Å; Q92-V94 VanDerWaalsContact C-N 3.26Å; Q92-V94 PolarHBondContact O-N 3.34Å; V94-S96 VanDerWaalsContact C-N 3.26Å; V94-S96 PolarHBondContact O-N 2.79Å; V94-A97 PolarHBondContact O-N 3.37Å; V94-A97 VanDerWaalsContact O-N 3.16Å; V94-L123 HydrophobicContact CG1-CB 4.25Å; V94-L123 HydrophobicContact CG2-CB 3.71Å; V94-L123 HydrophobicContact CG2-CD1 3.78Å; V94-L123 HydrophobicContact CG2-CG 4.41Å |
| 95 | L | 75.4 | Confident | 82.7 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.6 | -177.6 | -72.8 | 172.1 | 0 | 0 | 0 | 113.9 | L62 A64 Y125 | L62-L95 HydrophobicContact CB-CD2 3.57Å; L62-L95 WeakPolarHBondContact O-CD2 3.22Å; A64-L95 HydrophobicContact CB-CD1 4.14Å; L95-Y125 HydrophobicContact CD2-CE1 4.43Å |
| 96 | S | 68.5 | Low | 82.7 | Confident | 108 Ų | 108 | 60 Ų | 60 | 76% | 0.755 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -6.7 | -179.8 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | V94 | V94-S96 VanDerWaalsContact C-N 3.26Å; V94-S96 PolarHBondContact O-N 2.79Å |
| 97 | A | 63.4 | Low | 82.6 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 22% | 0.223 | 35% | 0.346 | C | S | . | . | trans | -90.1 | 123.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V94 V99 V101 | V94-A97 PolarHBondContact O-N 3.37Å; V94-A97 VanDerWaalsContact O-N 3.16Å; A97-V99 VanDerWaalsContact C-N 3.33Å; A97-V101 HydrophobicContact CB-CG2 3.3Å | ||
| 98 | T | 64.2 | Low | 82.5 | Confident | 121 Ų | 121 | 60.6 Ų | 60.6 | 74% | 0.742 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -85.9 | -9.2 | 170 | 36.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 99 | V | 75.4 | Confident | 82.1 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -120.6 | 157.5 | -177.5 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | A97 V101 | A97-V99 VanDerWaalsContact C-N 3.33Å; V99-V101 PolarHBondContact O-N 2.95Å |
| 100 | E | 78.4 | Confident | 81.4 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | trans | -52.3 | 128.6 | 171 | -90.7 | -179.7 | -146.6 | 0 | 0 | 112.2 | P102 S122 L123 R124 | E100-P102 WeakPolarHBondContact O-CD 3.34Å; E100-S122 WeakPolarHBondContact OE2-CB 3.24Å; E100-S122 PolarHBondContact OE2-OG 2.91Å; E100-L123 WeakPolarHBondContact CA-O 3.39Å; E100-R124 HydrophobicContact CG-CB 3.69Å; E100-R124 HydrophobicContact CG-CG 4.47Å | ||
| 101 | V | 83.9 | Confident | 80.8 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 17% | 0.17 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 110.9 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | A97 V99 I103 S122 L123 | A97-V101 HydrophobicContact CB-CG2 3.3Å; V99-V101 PolarHBondContact O-N 2.95Å; V101-I103 HydrophobicContact CG1-CG1 4.27Å; V101-S122 CarbonylContact O-C 3.51Å; V101-S122 VanDerWaalsContact O-CA 3.26Å; V101-S122 WeakPolarHBondContact O-CA 3.18Å; V101-L123 PolarHBondContact N-O 2.78Å; V101-L123 PolarHBondContact O-N 2.65Å |
| 102 | P | 87.3 | Confident | 80.3 | Confident | 103 Ų | 103 | 71.4 Ų | 71.4 | 67% | 0.669 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 136.1 | 173.8 | 30.1 | -33 | 0 | 0 | 0 | 110.6 | E100 | E100-P102 WeakPolarHBondContact O-CD 3.34Å |
| 103 | I | 86.8 | Confident | 79.7 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.2 | -178.7 | -60.5 | -174.6 | 0 | 0 | 0 | 108.2 | I89 V101 V105 E120 L121 L123 | I89-I103 HydrophobicContact CD1-CG2 4.16Å; I89-I103 HydrophobicContact CG2-CD1 3.5Å; I89-I103 VanDerWaalsContact CG2-CD1 3.5Å; I89-I103 HydrophobicContact CG2-CG2 4.16Å; V101-I103 HydrophobicContact CG1-CG1 4.27Å; I103-V105 HydrophobicContact CG2-CG1 3.67Å; I103-E120 CarbonylContact O-C 3.53Å; I103-E120 WeakPolarHBondContact O-CA 3.22Å; I103-L121 HydrophobicContact CB-CD1 3.91Å; I103-L121 HydrophobicContact CB-CG 4.34Å; I103-L121 HydrophobicContact CD1-CD1 4.34Å; I103-L121 HydrophobicContact CG1-CD1 4.49Å; I103-L121 HydrophobicContact CG2-CD1 4.38Å; I103-L121 PolarHBondContact N-O 2.96Å; I103-L121 PolarHBondContact O-N 3.31Å; I103-L121 VanDerWaalsContact O-O 3.06Å; I103-L123 HydrophobicContact CD1-CB 4.48Å; I103-L123 HydrophobicContact CD1-CD1 3.34Å; I103-L123 HydrophobicContact CD1-CG 3.76Å |
| 104 | C | 91.1 | Very high | 79.9 | Confident | 82 Ų | 82 | 71.8 Ų | 71.8 | 55% | 0.554 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 115.8 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | I119 E120 | C104-I119 WeakPolarHBondContact CA-O 3.41Å; C104-E120 HydrophobicContact CB-CG 3.93Å; C104-E120 VanDerWaalsContact SG-CG 3.6Å |
| 105 | V | 90.3 | Very high | 79.9 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.2 | -176.1 | -70.8 | 0 | 0 | 0 | 0 | 110.9 | A87 I89 I103 T118 I119 | A87-V105 HydrophobicContact CB-CB 4.36Å; A87-V105 HydrophobicContact CB-CG2 3.64Å; I89-V105 HydrophobicContact CD1-CG2 4.02Å; I89-V105 HydrophobicContact CG1-CG2 4.29Å; I103-V105 HydrophobicContact CG2-CG1 3.67Å; V105-T118 CarbonylContact O-C 3.53Å; V105-T118 WeakPolarHBondContact O-CA 3.36Å; V105-I119 HydrophobicContact CG2-CG2 3.57Å; V105-I119 PolarHBondContact N-O 3.25Å; V105-I119 PolarHBondContact O-N 2.76Å |
| 106 | V | 91.5 | Very high | 79.9 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 35% | 0.352 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 133.6 | 172.7 | -178 | 0 | 0 | 0 | 0 | 108.7 | D114 T115 T118 | V106-D114 HydrophobicContact CG1-CB 3.75Å; V106-T115 WeakPolarHBondContact CG1-O 3.49Å; V106-T118 HydrophobicContact CG2-CG2 4.04Å |
| 107 | L | 92.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 142.1 | 176.6 | -68.5 | 171.3 | 0 | 0 | 0 | 110.1 | L14 V72 A87 T115 S117 I119 | L14-L107 HydrophobicContact CD2-CD1 3.81Å; V72-L107 HydrophobicContact CB-CD1 4.16Å; V72-L107 HydrophobicContact CG2-CD1 3.58Å; V72-L107 HydrophobicContact CG2-CD2 3.87Å; V72-L107 HydrophobicContact CG2-CG 4.4Å; A87-L107 HydrophobicContact CB-CD2 4.27Å; L107-T115 VanDerWaalsContact O-CB 3.28Å; L107-T115 WeakPolarHBondContact O-CB 3.16Å; L107-T115 WeakPolarHBondContact O-CG2 3.26Å; L107-T115 PolarHBondContact O-N 2.88Å; L107-T115 PolarHBondContact O-OG1 3.15Å; L107-S117 PolarHBondContact N-O 2.73Å; L107-I119 HydrophobicContact CD2-CB 4.23Å; L107-I119 HydrophobicContact CD2-CG2 3.71Å; L107-I119 HydrophobicContact CG-CB 4.38Å; L107-I119 HydrophobicContact CG-CG2 4.18Å |
| 108 | Q | 89.3 | Confident | 82.1 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 146.1 | 175.8 | -66.1 | -178.5 | -19.3 | 0 | 0 | 112 | G85 Q86 G112 Q113 D114 | G85-Q108 CarbonylContact C-O 3.52Å; G85-Q108 VanDerWaalsContact CA-O 3.3Å; G85-Q108 WeakPolarHBondContact CA-O 3.2Å; Q86-Q108 PolarHBondContact N-O 2.9Å; Q86-Q108 WeakPolarHBondContact O-CA 3.36Å; Q86-Q108 WeakPolarHBondContact O-CB 3.18Å; Q86-Q108 PolarHBondContact O-N 2.94Å; Q108-G112 PolarHBondContact NE2-O 3.25Å; Q108-Q113 CarbonylContact C-O 3.54Å; Q108-Q113 WeakPolarHBondContact CA-O 3.21Å; Q108-D114 VanDerWaalsContact CG-OD1 3.24Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.37Å; Q108-D114 PolarHBondContact NE2-OD1 2.75Å |
| 109 | N | 83.9 | Confident | 83.5 | Confident | 49 Ų | 49 | 67.9 Ų | 67.9 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | trans | -75.4 | 179.6 | 172.3 | 72.1 | 20.6 | 0 | 0 | 0 | 111.8 | K111 G112 Q113 T115 | N109-K111 PolarHBondContact O-N 2.88Å; N109-K111 WeakPolarHBondContact OD1-CA 3.28Å; N109-K111 PolarHBondContact OD1-N 3.38Å; N109-G112 PolarHBondContact O-N 2.84Å; N109-G112 PolarHBondContact OD1-N 2.69Å; N109-Q113 PolarHBondContact N-O 2.79Å; N109-Q113 PolarHBondContact ND2-OE1 2.77Å; N109-Q113 PolarHBondContact OD1-N 3.5Å; N109-T115 HydrophobicContact CB-CG2 4.19Å | ||
| 110 | K | 77.3 | Confident | 84.3 | Confident | 166 Ų | 166 | 65.6 Ų | 65.6 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.9 | -179.5 | -69.5 | -172.7 | 179 | 178.7 | 0 | 114.7 | F83 | F83-K110 HydrophobicContact CD1-CD 4.31Å; F83-K110 HydrophobicContact CD1-CG 3.56Å; F83-K110 HydrophobicContact CE1-CG 3.62Å; F83-K110 HydrophobicContact CG-CG 4.29Å; F83-K110 HydrophobicContact CZ-CG 4.39Å |
| 111 | K | 73.8 | Confident | 85 | Confident | 161 Ų | 161 | 62.2 Ų | 62.2 | 70% | 0.7 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 4 | 178.2 | -63.3 | -173.1 | 179.5 | -177.9 | 0 | 113.1 | N109 | N109-K111 PolarHBondContact O-N 2.88Å; N109-K111 WeakPolarHBondContact OD1-CA 3.28Å; N109-K111 PolarHBondContact OD1-N 3.38Å |
| 112 | G | 74.5 | Confident | 85.3 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 82.8 | 16.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q108 N109 | Q108-G112 PolarHBondContact NE2-O 3.25Å; N109-G112 PolarHBondContact O-N 2.84Å; N109-G112 PolarHBondContact OD1-N 2.69Å |
| 113 | Q | 69.6 | Low | 85.5 | Confident | 88 Ų | 88 | 56 Ų | 56 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | trans | -94.1 | 135.2 | 177.5 | -59.6 | 170.5 | -40.2 | 0 | 0 | 111 | Q108 N109 | Q108-Q113 CarbonylContact C-O 3.54Å; Q108-Q113 WeakPolarHBondContact CA-O 3.21Å; N109-Q113 PolarHBondContact N-O 2.79Å; N109-Q113 PolarHBondContact ND2-OE1 2.77Å; N109-Q113 PolarHBondContact OD1-N 3.5Å | ||
| 114 | D | 80.6 | Confident | 85.5 | Confident | 109 Ų | 109 | 60.4 Ų | 60.4 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 136.6 | 175.5 | -68 | -4.2 | 0 | 0 | 0 | 111.8 | V106 Q108 | V106-D114 HydrophobicContact CG1-CB 3.75Å; Q108-D114 VanDerWaalsContact CG-OD1 3.24Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.37Å; Q108-D114 PolarHBondContact NE2-OD1 2.75Å |
| 115 | T | 79.7 | Confident | 85.3 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 175.4 | 177.7 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | V106 L107 N109 S117 | V106-T115 WeakPolarHBondContact CG1-O 3.49Å; L107-T115 VanDerWaalsContact O-CB 3.28Å; L107-T115 WeakPolarHBondContact O-CB 3.16Å; L107-T115 WeakPolarHBondContact O-CG2 3.26Å; L107-T115 PolarHBondContact O-N 2.88Å; L107-T115 PolarHBondContact O-OG1 3.15Å; N109-T115 HydrophobicContact CB-CG2 4.19Å; T115-S117 PolarHBondContact O-N 3.23Å; T115-S117 WeakPolarHBondContact OG1-CB 3.43Å; T115-S117 PolarHBondContact OG1-N 2.89Å; T115-S117 PolarHBondContact OG1-O 3.27Å |
| 116 | M | 76.4 | Confident | 84.8 | Confident | 159 Ų | 159 | 60.1 Ų | 60.1 | 78% | 0.783 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -3.6 | 170 | -68.6 | -64.9 | -68.4 | 0 | 0 | 112.8 | N13 | N13-M116 WeakPolarHBondContact CB-O 3.36Å |
| 117 | S | 88 | Confident | 83.8 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.5 | -178 | -48.5 | 0 | 0 | 0 | 0 | 110.3 | N12 N13 L107 T115 | N12-S117 VanDerWaalsContact O-CA 3.26Å; N12-S117 WeakPolarHBondContact O-CA 3.38Å; N13-S117 WeakPolarHBondContact O-CB 3.35Å; N13-S117 PolarHBondContact O-OG 3.05Å; L107-S117 PolarHBondContact N-O 2.73Å; T115-S117 PolarHBondContact O-N 3.23Å; T115-S117 WeakPolarHBondContact OG1-CB 3.43Å; T115-S117 PolarHBondContact OG1-N 2.89Å; T115-S117 PolarHBondContact OG1-O 3.27Å |
| 118 | T | 89.8 | Confident | 82.4 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 152.8 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | A11 N12 V105 V106 | A11-T118 CarbonylContact C-O 3.43Å; A11-T118 WeakPolarHBondContact CA-O 3.38Å; A11-T118 WeakPolarHBondContact CB-O 3.46Å; N12-T118 PolarHBondContact N-O 2.75Å; N12-T118 PolarHBondContact ND2-OG1 3.29Å; N12-T118 PolarHBondContact O-N 2.83Å; V105-T118 CarbonylContact O-C 3.53Å; V105-T118 WeakPolarHBondContact O-CA 3.36Å; V106-T118 HydrophobicContact CG2-CG2 4.04Å |
| 119 | I | 93.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.6 | 171.8 | -170 | 159.4 | 0 | 0 | 0 | 109.8 | V8 A11 V27 W49 I70 V72 C104 V105 L107 | V8-I119 HydrophobicContact CG1-CD1 4.36Å; A11-I119 HydrophobicContact CB-CG1 4.47Å; V27-I119 HydrophobicContact CG1-CD1 4.06Å; V27-I119 HydrophobicContact CG2-CD1 3.79Å; W49-I119 HydrophobicContact CZ3-CD1 4.49Å; I70-I119 HydrophobicContact CG2-CD1 3.78Å; V72-I119 HydrophobicContact CG2-CD1 3.79Å; C104-I119 WeakPolarHBondContact CA-O 3.41Å; V105-I119 HydrophobicContact CG2-CG2 3.57Å; V105-I119 PolarHBondContact N-O 3.25Å; V105-I119 PolarHBondContact O-N 2.76Å; L107-I119 HydrophobicContact CD2-CB 4.23Å; L107-I119 HydrophobicContact CD2-CG2 3.71Å; L107-I119 HydrophobicContact CG-CB 4.38Å; L107-I119 HydrophobicContact CG-CG2 4.18Å |
| 120 | E | 92.2 | Very high | 78.3 | Confident | 57 Ų | 57 | 75 Ų | 75 | 27% | 0.266 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.5 | 176.2 | -74 | 177.8 | -145.2 | 0 | 0 | 109.7 | K9 K10 I103 C104 | K9-E120 HydrophobicContact CB-CB 4.46Å; K9-E120 WeakPolarHBondContact CB-O 3.33Å; K9-E120 PolarHBondContact N-O 3.36Å; K10-E120 WeakPolarHBondContact CE-OE1 3.3Å; K10-E120 WeakPolarHBondContact CE-OE2 3.45Å; K10-E120 HydrophobicContact CG-CB 4.09Å; K10-E120 PolarHBondContact N-O 2.9Å; K10-E120 IonicContact NZ-OE1 2.64Å; K10-E120 PolarHBondContact NZ-OE1 2.94Å; K10-E120 IonicContact NZ-OE2 3.52Å; K10-E120 PolarHBondContact O-N 3.37Å; I103-E120 CarbonylContact O-C 3.53Å; I103-E120 WeakPolarHBondContact O-CA 3.22Å; C104-E120 HydrophobicContact CB-CG 3.93Å; C104-E120 VanDerWaalsContact SG-CG 3.6Å |
| 121 | L | 93.5 | Very high | 76.2 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 162.7 | 176.8 | 55.3 | 95.8 | 0 | 0 | 0 | 110.9 | N7 I70 I89 I103 L123 | N7-L121 CarbonylContact O-C 3.57Å; N7-L121 WeakPolarHBondContact O-CA 3.31Å; N7-L121 WeakPolarHBondContact O-CB 3.2Å; I70-L121 HydrophobicContact CD1-CD2 4.16Å; I70-L121 HydrophobicContact CG1-CD2 3.92Å; I89-L121 HydrophobicContact CD1-CD1 3.96Å; I89-L121 HydrophobicContact CD1-CD2 3.65Å; I89-L121 HydrophobicContact CD1-CG 4.24Å; I103-L121 HydrophobicContact CB-CD1 3.91Å; I103-L121 HydrophobicContact CB-CG 4.34Å; I103-L121 HydrophobicContact CD1-CD1 4.34Å; I103-L121 HydrophobicContact CG1-CD1 4.49Å; I103-L121 HydrophobicContact CG2-CD1 4.38Å; I103-L121 PolarHBondContact N-O 2.96Å; I103-L121 PolarHBondContact O-N 3.31Å; I103-L121 VanDerWaalsContact O-O 3.06Å; L121-L123 HydrophobicContact CD1-CD1 4.43Å; L121-L123 HydrophobicContact CD1-CD2 3.75Å; L121-L123 HydrophobicContact CD1-CG 3.8Å |
| 122 | S | 90.2 | Very high | 73.9 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.007 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.6 | 167.9 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | N7 K9 E100 V101 | N7-S122 PolarHBondContact N-O 3.08Å; N7-S122 PolarHBondContact O-N 3.39Å; K9-S122 VanDerWaalsContact CE-OG 3.29Å; K9-S122 WeakPolarHBondContact CE-OG 3.43Å; E100-S122 WeakPolarHBondContact OE2-CB 3.24Å; E100-S122 PolarHBondContact OE2-OG 2.91Å; V101-S122 CarbonylContact O-C 3.51Å; V101-S122 VanDerWaalsContact O-CA 3.26Å; V101-S122 WeakPolarHBondContact O-CA 3.18Å |
| 123 | L | 91.5 | Very high | 71.6 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134 | 179 | -61.6 | -175.1 | 0 | 0 | 0 | 110.4 | H5 V6 I89 L91 V94 E100 V101 I103 L121 | H5-L123 CarbonylContact O-C 3.54Å; H5-L123 WeakPolarHBondContact O-CA 3.36Å; V6-L123 HydrophobicContact CB-CD2 4Å; V6-L123 HydrophobicContact CG1-CD2 3.76Å; V6-L123 HydrophobicContact CG2-CD2 3.71Å; I89-L123 HydrophobicContact CG2-CD1 4.11Å; L91-L123 HydrophobicContact CD2-CD1 3.43Å; L91-L123 VanDerWaalsContact CD2-CD1 3.43Å; V94-L123 HydrophobicContact CG1-CB 4.25Å; V94-L123 HydrophobicContact CG2-CB 3.71Å; V94-L123 HydrophobicContact CG2-CD1 3.78Å; V94-L123 HydrophobicContact CG2-CG 4.41Å; E100-L123 WeakPolarHBondContact CA-O 3.39Å; V101-L123 PolarHBondContact N-O 2.78Å; V101-L123 PolarHBondContact O-N 2.65Å; I103-L123 HydrophobicContact CD1-CB 4.48Å; I103-L123 HydrophobicContact CD1-CD1 3.34Å; I103-L123 HydrophobicContact CD1-CG 3.76Å; L121-L123 HydrophobicContact CD1-CD1 4.43Å; L121-L123 HydrophobicContact CD1-CD2 3.75Å; L121-L123 HydrophobicContact CD1-CG 3.8Å |
| 124 | R | 86.2 | Confident | 69.4 | Low | 115 Ų | 115 | 81 Ų | 81 | 43% | 0.434 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 133.4 | 171.5 | 174 | -179.3 | -178.6 | -166.9 | -3 | 110 | H5 E100 | H5-R124 HydrophobicContact CB-CB 4.09Å; H5-R124 WeakPolarHBondContact CB-O 3.39Å; H5-R124 PolarHBondContact N-O 3.22Å; H5-R124 PolarHBondContact O-N 2.9Å; E100-R124 HydrophobicContact CG-CB 3.69Å; E100-R124 HydrophobicContact CG-CG 4.47Å |
| 125 | Y | 86.8 | Confident | 66.7 | Low | 24 Ų | 24 | 81.1 Ų | 81.1 | 9% | 0.094 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.6 | 176.7 | 177.4 | -131.7 | 0 | 0 | 0 | 110 | Y2 A3 L57 P61 L62 L95 | Y2-Y125 HydrophobicContact CD1-CE2 4.04Å; Y2-Y125 AromaticContact CD1-CZ 3.67Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.33Å; Y2-Y125 WeakPolarHBondContact CE1-OH 3.25Å; A3-Y125 WeakPolarHBondContact O-CD2 3.29Å; L57-Y125 HydrophobicContact CD1-CD2 4.15Å; L57-Y125 HydrophobicContact CD1-CE2 3.54Å; P61-Y125 WeakPolarHBondContact CA-OH 3.37Å; P61-Y125 WeakPolarHBondContact CB-OH 3.49Å; L62-Y125 HydrophobicContact CB-CE2 4.35Å; L62-Y125 HydrophobicContact CD1-CD1 4.4Å; L62-Y125 HydrophobicContact CD1-CD2 3.48Å; L62-Y125 VanDerWaalsContact CD1-CD2 3.48Å; L62-Y125 HydrophobicContact CD1-CE2 3.77Å; L62-Y125 HydrophobicContact CD1-CG 3.81Å; L62-Y125 HydrophobicContact CG-CD2 4.16Å; L62-Y125 HydrophobicContact CG-CE2 3.92Å; L62-Y125 PolarHBondContact N-OH 3.36Å; L95-Y125 HydrophobicContact CD2-CE1 4.43Å |
| 126 | E | 79.6 | Confident | 64 | Low | 91 Ų | 91 | 83.7 Ų | 83.7 | 43% | 0.425 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.9 | 175 | -170 | 179.3 | -166 | 0 | 0 | 109.6 | Y2 A3 H5 | Y2-E126 WeakPolarHBondContact CA-O 3.44Å; A3-E126 HydrophobicContact CB-CB 4.3Å; A3-E126 PolarHBondContact N-O 2.7Å; A3-E126 PolarHBondContact O-N 3.26Å; H5-E126 IonicContact NE2-OE2 3.92Å; H5-E126 PolarHBondContact NE2-OE2 3.2Å |
| 127 | F | 71.8 | Confident | 61.5 | Low | 103 Ų | 103 | 82.4 Ų | 82.4 | 45% | 0.452 | 45% | 0.447 | S | S | . | . | trans | -118.8 | 147.3 | 173.3 | 52.2 | -90.7 | 0 | 0 | 0 | 109.6 | Y2 Q129 | Y2-F127 HydrophobicContact CD1-CB 3.93Å; Y2-F127 HydrophobicContact CE1-CB 3.73Å; F127-Q129 PolarHBondContact O-N 2.9Å; F127-Q129 VanDerWaalsContact O-N 3.13Å | ||
| 128 | P | 61.5 | Low | 58.5 | Low | 65 Ų | 65 | 89.1 Ų | 89.1 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | trans | -59.1 | 118.3 | -176.5 | 13.8 | -20.6 | 0 | 0 | 0 | 112.2 | M1 Y2 | M1-P128 WeakPolarHBondContact O-CD 3.49Å; Y2-P128 HydrophobicContact CE1-CG 4.44Å; Y2-P128 HydrophobicContact CE2-CG 4.18Å | ||
| 129 | Q | 50.2 | Low | 55.3 | Low | 166 Ų | 166 | 94.2 Ų | 94.2 | 78% | 0.776 | 50% | 0.502 | S | S | * | . | trans | -76.6 | 123.4 | 170.5 | -66.7 | -169.5 | -1.6 | 0 | 0 | 110.1 | F127 T131 | F127-Q129 PolarHBondContact O-N 2.9Å; F127-Q129 VanDerWaalsContact O-N 3.13Å; Q129-T131 PolarHBondContact O-N 3.26Å; Q129-T131 PolarHBondContact O-OG1 3.15Å | ||
| 130 | T | 36.7 | Very low | 51.9 | Low | 151 Ų | 151 | 102.6 Ų | 102.6 | 93% | 0.926 | 54% | 0.541 | S | S | * | . | trans | -63 | 95.6 | 178.3 | 24.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 131 | T | 33.5 | Very low | 48.6 | Very low | 138 Ų | 138 | 109.3 Ų | 109.3 | 85% | 0.847 | 57% | 0.573 | S | S | * | * | trans | -112.7 | 129 | 169.6 | 15.4 | 0 | 0 | 0 | 0 | 111.2 | Q129 | Q129-T131 PolarHBondContact O-N 3.26Å; Q129-T131 PolarHBondContact O-OG1 3.15Å | ||
| 132 | K | 27 | Very low | 45.3 | Very low | 212 Ų | 212 | 112.7 Ų | 112.7 | 92% | 0.922 | 61% | 0.608 | S | S | * | * | trans | -68.9 | 134.3 | -177.9 | -71.2 | 170.4 | 171.4 | 176 | 0 | 111.4 | ||||
| 133 | G | 25.7 | Very low | 42.2 | Very low | 62 Ų | 62 | 118.2 Ų | 118.2 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | trans | 104.8 | 131 | 139.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 134 | L | 24 | Very low | 39.1 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | trans | 72.8 | 148.6 | 149.6 | -56.1 | 155.9 | 0 | 0 | 0 | 115.4 | ||||
| 135 | T | 23.5 | Very low | 36.1 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | cis | -169.3 | 140.5 | -21 | 22.4 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 136 | S | 23.3 | Very low | 33.4 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | trans | 36.6 | 144 | 144.5 | 62.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 137 | N | 23.9 | Very low | 30.7 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | 89.6 | 143.2 | 161.7 | -61 | 5.7 | 0 | 0 | 0 | 114.9 | ||||
| 138 | E | 23.6 | Very low | 28.6 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | cis | -167.2 | 132 | 0.9 | -104.4 | 157 | 176.3 | 0 | 0 | 104.2 | ||||
| 139 | I | 22.7 | Very low | 26.8 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | 65 | 142 | 113.4 | -43.9 | 176.5 | 0 | 0 | 0 | 116.7 | |||||
| 140 | E | 23.5 | Very low | 25.8 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 110.4 | 103.8 | 154.5 | -58.6 | -169.8 | 160.8 | 0 | 0 | 115.1 | ||||
| 141 | Q | 22.6 | Very low | 25.2 | Very low | 198 Ų | 198 | 134.9 Ų | 134.9 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | 69.1 | 123.7 | 68 | -73.4 | -166 | -2.2 | 0 | 0 | 115.8 | |||||
| 142 | G | 24.6 | Very low | 24.7 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 141.6 | 96.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 143 | S | 23.7 | Very low | 24.6 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | 60.5 | 128 | 64.6 | -165.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 144 | V | 26.2 | Very low | 24.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 142.7 | 105.6 | 157 | 172.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 145 | S | 22.8 | Very low | 24.7 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | 68.4 | 104.3 | 53.4 | 82.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 146 | D | 30.5 | Very low | 24.8 | Very low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | 176 | 110.6 | 147.8 | -86.6 | -21.9 | 0 | 0 | 0 | 107.9 | ||||
| 147 | K | 22.9 | Very low | 24.9 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | 62.2 | 125.1 | 71.6 | -80.2 | -167.1 | 176.6 | -177.8 | 0 | 116.2 | |||||
| 148 | V | 27.6 | Very low | 24.9 | Very low | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | 145.8 | 101.4 | 147.5 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 149 | D | 23.6 | Very low | 25 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | 78.5 | 120.2 | 74.1 | -86 | -17.3 | 0 | 0 | 0 | 117.6 | |||||
| 150 | A | 29.6 | Very low | 25 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | 132.5 | 99.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 151 | G | 24.2 | Very low | 25 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 92% | 0.918 | 82% | 0.816 | S | S | * | * | 85.7 | 126.4 | 86.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 152 | G | 23.6 | Very low | 25 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | cis | 162.4 | 120 | 1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 153 | A | 25.4 | Very low | 24.9 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -172 | 103.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 154 | V | 23.9 | Very low | 24.9 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 87% | 0.873 | 82% | 0.816 | S | S | * | * | trans | 32.9 | 103 | 147 | -144.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 155 | D | 27.2 | Very low | 24.8 | Very low | 143 Ų | 143 | 123 Ų | 123 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | cis | 82.7 | 92.6 | 44.8 | -157.1 | 25.8 | 0 | 0 | 0 | 116.2 | ||||
| 156 | V | 25.3 | Very low | 24.9 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | trans | -163.2 | 123.8 | 133 | -172.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 157 | G | 24.9 | Very low | 24.5 | Very low | 53 Ų | 53 | 124.6 Ų | 124.6 | 55% | 0.546 | 82% | 0.818 | S | S | . | * | cis | 115.5 | 91.6 | 12.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 158 | L | 24.9 | Very low | 24.5 | Very low | 170 Ų | 170 | 120.1 Ų | 120.1 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | 175.4 | 89.8 | 152.1 | -96 | 157.8 | 0 | 0 | 0 | 107.3 | ||||
| 159 | R | 24.7 | Very low | 24.3 | Very low | 253 Ų | 253 | 119.4 Ų | 119.4 | 96% | 0.955 | 80% | 0.799 | S | S | * | * | 57 | 121.4 | 69 | -92.3 | -169.4 | 178.3 | -142.8 | 1.1 | 115.6 | |||||
| 160 | G | 23.3 | Very low | 24.2 | Very low | 66 Ų | 66 | 117.8 Ų | 117.8 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | 148.2 | 79 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 161 | S | 24.3 | Very low | 24 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | 80.5 | 109.5 | 99 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 162 | G | 21.7 | Very low | 24 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | 87.2 | 111 | 88.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 163 | G | 23.3 | Very low | 24 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | 94.7 | 130.4 | 50.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 164 | T | 23.8 | Very low | 24 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 98% | 0.982 | 76% | 0.758 | S | S | * | * | trans | 100.2 | 139.8 | 155.2 | 72 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 165 | G | 22.5 | Very low | 24.1 | Very low | 65 Ų | 65 | 127 Ų | 127 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 113.1 | 84.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 166 | T | 24.8 | Very low | 24.1 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | 42.1 | 110.5 | 59.3 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 167 | D | 23.8 | Very low | 24.1 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | 160.4 | 150.5 | 136.1 | -83.9 | -9.9 | 0 | 0 | 0 | 108.5 | ||||
| 168 | V | 22.7 | Very low | 24.2 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 65% | 0.648 | 76% | 0.76 | S | S | * | * | cis | 177 | 157.1 | -17.5 | 136.6 | 0 | 0 | 0 | 0 | 104 | ||||
| 169 | N | 22.2 | Very low | 24.1 | Very low | 121 Ų | 121 | 125 Ų | 125 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | trans | 81.3 | 111 | 155.8 | -85 | 8 | 0 | 0 | 0 | 120.3 | ||||
| 170 | E | 22.7 | Very low | 24.1 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 59% | 0.589 | 75% | 0.752 | S | S | * | * | 87.6 | 105.4 | 76.3 | -84.2 | -168.6 | 138.8 | 0 | 0 | 109.6 | |||||
| 171 | K | 24.6 | Very low | 24.3 | Very low | 156 Ų | 156 | 119 Ų | 119 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | 94 | 125.9 | 99.1 | -88.2 | -179.7 | 180 | 151.3 | 0 | 111 | |||||
| 172 | D | 24.8 | Very low | 24.4 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | 144.9 | 111.4 | 125.2 | -80.5 | -22.4 | 0 | 0 | 0 | 111.7 | |||||
| 173 | I | 24.3 | Very low | 24.6 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | 94.4 | 100.1 | 104.5 | -68.8 | 169 | 0 | 0 | 0 | 109.1 | |||||
| 174 | L | 25.1 | Very low | 24.8 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | 65.4 | 140.1 | 87.4 | -91.2 | 156.8 | 0 | 0 | 0 | 114.1 | |||||
| 175 | D | 26.3 | Very low | 25 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 101.9 | 141 | 170.2 | -69.8 | -4.8 | 0 | 0 | 0 | 116.2 | ||||
| 176 | D | 26.6 | Very low | 25.3 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -172.5 | 147.5 | -24 | -143.5 | 3.7 | 0 | 0 | 0 | 105.3 | ||||
| 177 | Q | 24.7 | Very low | 25.4 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 68.5 | 152.1 | 145.6 | -69.1 | -180 | 41.4 | 0 | 0 | 124.9 | ||||
| 178 | A | 26.2 | Very low | 25.5 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | 77.1 | 129.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 179 | G | 24.3 | Very low | 25.8 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | cis | 158.5 | 132 | 5.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 180 | A | 24.6 | Very low | 26.3 | Very low | 115 Ų | 115 | 145 Ų | 145 | 95% | 0.95 | 81% | 0.81 | S | S | * | * | trans | 65.6 | 116.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 181 | G | 27.7 | Very low | 27 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 167.8 | 64.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R183 | G181-R183 PolarHBondContact O-N 2.86Š| ||
| 182 | K | 24.7 | Very low | 27.7 | Very low | 220 Ų | 220 | 142.1 Ų | 142.1 | 96% | 0.957 | 82% | 0.822 | S | S | * | * | trans | -58.2 | 104.7 | 179 | -74.5 | 173.8 | 175.9 | 172.7 | 0 | 111.8 | ||||
| 183 | R | 27.6 | Very low | 28.6 | Very low | 249 Ų | 249 | 144.7 Ų | 144.7 | 94% | 0.94 | 82% | 0.822 | S | S | * | * | trans | -112.2 | 141.4 | 156.7 | -102.8 | 179.3 | 174.5 | 172.4 | -1.2 | 110.1 | G181 | G181-R183 PolarHBondContact O-N 2.86Š| ||
| 184 | I | 27.1 | Very low | 30 | Very low | 167 Ų | 167 | 142 Ų | 142 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -51.3 | 133.3 | -163.5 | -67.6 | 159.8 | 0 | 0 | 0 | 113.1 | K186 | I184-K186 PolarHBondContact O-N 2.92Å; I184-K186 VanDerWaalsContact O-N 3.07Å | ||
| 185 | K | 27.3 | Very low | 31.6 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -55.6 | 103.1 | 177.4 | -69.4 | 175.1 | 174 | -179.7 | 0 | 111.2 | ||||
| 186 | K | 29.3 | Very low | 33.6 | Very low | 211 Ų | 211 | 140.1 Ų | 140.1 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -75.7 | 125.3 | 155.8 | -97.9 | -176 | 174.1 | -178.4 | 0 | 108.1 | I184 | I184-K186 PolarHBondContact O-N 2.92Å; I184-K186 VanDerWaalsContact O-N 3.07Å | ||
| 187 | L | 26.8 | Very low | 35.7 | Very low | 170 Ų | 170 | 137 Ų | 137 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -57.2 | 131.2 | -179.8 | -90 | 80 | 0 | 0 | 0 | 112 | ||||
| 188 | G | 26.2 | Very low | 38 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 56.7 | 106.2 | 134.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 189 | G | 29 | Very low | 40.1 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | 99.7 | 55.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | A191 | G189-A191 PolarHBondContact O-N 2.76Å; G189-A191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | L | 32.8 | Very low | 42.4 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | trans | -69.2 | 104.7 | 166 | -93.2 | 146.6 | 0 | 0 | 0 | 109.3 | V192 | L190-V192 PolarHBondContact O-N 3.11Š| ||
| 191 | A | 36.7 | Very low | 44.4 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | trans | -55.1 | 128.6 | 156 | 0 | 0 | 0 | 0 | 0 | 107.7 | G189 R193 | G189-A191 PolarHBondContact O-N 2.76Å; G189-A191 VanDerWaalsContact O-N 3.13Å; A191-R193 PolarHBondContact O-N 2.79Å | ||
| 192 | V | 39 | Very low | 46.2 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | trans | -56.1 | 112.2 | 179.6 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | L190 | L190-V192 PolarHBondContact O-N 3.11Š| ||
| 193 | R | 43.5 | Very low | 48.8 | Very low | 180 Ų | 180 | 118.4 Ų | 118.4 | 68% | 0.679 | 63% | 0.625 | S | S | * | * | trans | -53.1 | 132.6 | 169.9 | -93.5 | -174.8 | 173.1 | -164.1 | -6.7 | 107.4 | A191 Q195 D263 | A191-R193 PolarHBondContact O-N 2.79Å; R193-Q195 PolarHBondContact O-N 3.4Å; R193-Q195 VanDerWaalsContact O-N 3.13Å; R193-D263 IonicContact NH1-OD1 3Å | ||
| 194 | P | 54.2 | Low | 51.3 | Low | 75 Ų | 75 | 106.8 Ų | 106.8 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | trans | -50.3 | 124.8 | 169.9 | -20.9 | 30.3 | 0 | 0 | 0 | 108.2 | Y196 | P194-Y196 VanDerWaalsContact C-N 3.25Å; P194-Y196 HydrophobicContact CB-CE1 4.18Å; P194-Y196 HydrophobicContact CB-CE2 4.32Å; P194-Y196 PolarHBondContact O-N 2.8Å | ||
| 195 | Q | 59.5 | Low | 54.1 | Low | 199 Ų | 199 | 98.8 Ų | 98.8 | 93% | 0.93 | 54% | 0.54 | S | S | * | . | trans | -71.2 | 92.2 | 171.9 | -93.5 | 178.6 | -27 | 0 | 0 | 107.2 | R193 | R193-Q195 PolarHBondContact O-N 3.4Å; R193-Q195 VanDerWaalsContact O-N 3.13Å | ||
| 196 | Y | 68.2 | Low | 56.8 | Low | 58 Ų | 58 | 90.4 Ų | 90.4 | 23% | 0.227 | 50% | 0.503 | C | S | . | . | trans | -61.1 | 146.7 | 171.2 | -67.8 | -61 | 0 | 0 | 0 | 110.1 | P194 T198 L262 E294 | P194-Y196 VanDerWaalsContact C-N 3.25Å; P194-Y196 HydrophobicContact CB-CE1 4.18Å; P194-Y196 HydrophobicContact CB-CE2 4.32Å; P194-Y196 PolarHBondContact O-N 2.8Å; Y196-T198 PolarHBondContact O-N 2.66Å; Y196-T198 VanDerWaalsContact O-N 3.13Å; Y196-L262 HydrophobicContact CD1-CD1 3.61Å; Y196-L262 HydrophobicContact CD2-CD1 4.16Å; Y196-L262 HydrophobicContact CE1-CD1 3.81Å; Y196-L262 HydrophobicContact CE2-CD1 4.31Å; Y196-L262 HydrophobicContact CG-CD1 3.83Å; Y196-E294 WeakPolarHBondContact OH-CG 3.47Å; Y196-E294 PolarHBondContact OH-OE1 2.88Å | ||
| 197 | S | 69.5 | Low | 59.7 | Low | 52 Ų | 52 | 80.3 Ų | 80.3 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | trans | -54.8 | 121.1 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | K199 Q201 A258 A259 | S197-K199 PolarHBondContact O-N 2.7Å; S197-K199 VanDerWaalsContact OG-CB 3.28Å; S197-K199 WeakPolarHBondContact OG-CB 3.27Å; S197-K199 PolarHBondContact OG-N 3.29Å; S197-Q201 PolarHBondContact OG-NE2 2.95Å; S197-A258 PolarHBondContact O-N 3.35Å; S197-A259 PolarHBondContact O-N 3.5Å; S197-A259 VanDerWaalsContact O-N 3.16Å | ||
| 198 | T | 73.6 | Confident | 62.6 | Low | 122 Ų | 122 | 73.3 Ų | 73.3 | 75% | 0.748 | 42% | 0.422 | S | S | * | . | trans | -77.2 | -2.6 | 170 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | Y196 S257 A259 | Y196-T198 PolarHBondContact O-N 2.66Å; Y196-T198 VanDerWaalsContact O-N 3.13Å; T198-S257 VanDerWaalsContact C-CB 3.45Å; T198-S257 WeakPolarHBondContact O-CB 3.34Å; T198-A259 HydrophobicContact CG2-CB 4.21Å | ||
| 199 | K | 71.2 | Confident | 65.7 | Low | 116 Ų | 116 | 69.4 Ų | 69.4 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -76.1 | 124.7 | 173.7 | -167.6 | -172.2 | 176.1 | -164.6 | 0 | 109.5 | S197 Q201 S257 | S197-K199 PolarHBondContact O-N 2.7Å; S197-K199 VanDerWaalsContact OG-CB 3.28Å; S197-K199 WeakPolarHBondContact OG-CB 3.27Å; S197-K199 PolarHBondContact OG-N 3.29Å; K199-Q201 PolarHBondContact O-N 3.46Å; K199-Q201 PolarHBondContact O-NE2 3.15Å; K199-S257 WeakPolarHBondContact O-CA 3.3Å |
| 200 | K | 72.1 | Confident | 68.4 | Low | 96 Ų | 96 | 65.7 Ų | 65.7 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128.3 | 174.5 | -58.5 | -166.5 | -179.6 | -100.1 | 0 | 110.3 | F255 D256 E260 | K200-F255 HydrophobicContact CB-CE1 4.27Å; K200-F255 HydrophobicContact CB-CE2 4.13Å; K200-F255 HydrophobicContact CB-CZ 3.95Å; K200-D256 IonicContact NZ-OD1 2.98Å; K200-D256 PolarHBondContact NZ-OD1 2.88Å; K200-E260 IonicContact NZ-OE2 3.76Å; K200-E260 PolarHBondContact NZ-OE2 2.84Å |
| 201 | Q | 66.7 | Low | 71 | Confident | 37 Ų | 37 | 59.2 Ų | 59.2 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 168.4 | 177.9 | -73.3 | 161.4 | 89.3 | 0 | 0 | 107.1 | S197 K199 F203 F255 D256 P330 S1595 | S197-Q201 PolarHBondContact OG-NE2 2.95Å; K199-Q201 PolarHBondContact O-N 3.46Å; K199-Q201 PolarHBondContact O-NE2 3.15Å; Q201-F203 HydrophobicContact CB-CE2 3.76Å; Q201-F203 HydrophobicContact CB-CZ 4.07Å; Q201-F203 WeakPolarHBondContact O-CD2 3.41Å; Q201-F255 CarbonylContact O-C 3.47Å; Q201-D256 CarbonylContact C-O 3.6Å; Q201-D256 PolarHBondContact N-O 3.11Å; Q201-D256 CarbonylContact O-C 3.52Å; Q201-D256 PolarHBondContact O-N 3.35Å; Q201-P330 HydrophobicContact CB-CG 4.03Å; Q201-P330 HydrophobicContact CG-CG 4.19Å; Q201-S1595 CarbonylContact C-O 3.53Å; Q201-S1595 WeakPolarHBondContact CA-O 3.38Å |
| 202 | D | 65.7 | Low | 73.3 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 155.8 | 173 | -26.6 | -141.3 | 0 | 0 | 0 | 112.1 | F254 F255 P330 P1591 S1595 G1596 L1597 | D202-F254 CarbonylContact C-O 3.48Å; D202-F254 WeakPolarHBondContact CA-O 3.45Å; D202-F254 WeakPolarHBondContact CB-O 3.43Å; D202-F255 HydrophobicContact CB-CB 4.43Å; D202-F255 HydrophobicContact CB-CD2 4.37Å; D202-F255 VanDerWaalsContact CG-CD2 3.42Å; D202-F255 VanDerWaalsContact OD1-CB 3.23Å; D202-F255 WeakPolarHBondContact OD1-CB 3.45Å; D202-F255 WeakPolarHBondContact OD2-CD2 3.17Å; D202-P330 VanDerWaalsContact O-CD 3.32Å; D202-P330 WeakPolarHBondContact O-CD 3.46Å; D202-P1591 HydrophobicContact CB-CG 4.31Å; D202-S1595 PolarHBondContact N-O 3.37Å; D202-S1595 VanDerWaalsContact OD2-C 3.29Å; D202-G1596 WeakPolarHBondContact CB-O 3.45Å; D202-G1596 VanDerWaalsContact CG-CA 3.42Å; D202-G1596 WeakPolarHBondContact O-CA 3.33Å; D202-G1596 WeakPolarHBondContact OD2-CA 3.43Å; D202-G1596 PolarHBondContact OD2-N 3.3Å; D202-L1597 VanDerWaalsContact CG-CA 3.48Å; D202-L1597 WeakPolarHBondContact OD1-CA 3.49Å; D202-L1597 WeakPolarHBondContact OD1-CD2 3.18Å; D202-L1597 WeakPolarHBondContact OD1-CG 3Å; D202-L1597 VanDerWaalsContact OD2-CA 3.3Å; D202-L1597 WeakPolarHBondContact OD2-CA 3.38Å; D202-L1597 WeakPolarHBondContact OD2-CG 3.19Å; D202-L1597 PolarHBondContact OD2-N 2.96Å |
| 203 | F | 78.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 132.7 | -172.6 | -62.8 | -93.3 | 0 | 0 | 0 | 107.1 | Q201 N253 F254 A258 M261 Y293 I327 L328 | Q201-F203 HydrophobicContact CB-CE2 3.76Å; Q201-F203 HydrophobicContact CB-CZ 4.07Å; Q201-F203 WeakPolarHBondContact O-CD2 3.41Å; F203-N253 WeakPolarHBondContact O-CA 3.43Å; F203-F254 PolarHBondContact N-O 3.26Å; F203-F254 PolarHBondContact O-N 2.9Å; F203-A258 HydrophobicContact CE2-CB 4.43Å; F203-A258 HydrophobicContact CZ-CB 3.87Å; F203-M261 HydrophobicContact CB-CE 3.36Å; F203-M261 HydrophobicContact CB-SD 4.35Å; F203-M261 HydrophobicContact CD1-CE 3.33Å; F203-M261 HydrophobicContact CD2-CE 3.29Å; F203-M261 HydrophobicContact CE1-CE 3.83Å; F203-M261 HydrophobicContact CE2-CE 3.79Å; F203-M261 HydrophobicContact CG-CE 3.02Å; F203-M261 HydrophobicContact CG-SD 4.49Å; F203-M261 HydrophobicContact CZ-CE 4.04Å; F203-Y293 HydrophobicContact CD1-CE2 4.09Å; F203-Y293 AromaticContact CE1-CE2 3.73Å; F203-Y293 HydrophobicContact CE1-CE2 3.73Å; F203-Y293 AromaticContact CE1-CZ 3.94Å; F203-I327 HydrophobicContact CB-CG2 4.26Å; F203-I327 HydrophobicContact CD1-CG2 4.1Å; F203-L328 CarbonylContact C-O 3.6Å; F203-L328 VanDerWaalsContact CA-O 3.28Å; F203-L328 WeakPolarHBondContact CA-O 3.21Å |
| 204 | Q | 80.1 | Confident | 76.6 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.6 | 167.5 | 171.5 | 169.5 | 86.4 | 0 | 0 | 109.4 | R206 F252 N253 I327 L328 Q1590 P1591 | Q204-R206 HydrophobicContact CG-CG 4.13Å; Q204-R206 VanDerWaalsContact OE1-CZ 3.25Å; Q204-F252 CarbonylContact C-O 3.6Å; Q204-N253 VanDerWaalsContact CG-OD1 3.29Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.35Å; Q204-N253 PolarHBondContact NE2-OD1 3.09Å; Q204-I327 CarbonylContact O-C 3.57Å; Q204-I327 WeakPolarHBondContact O-CA 2.94Å; Q204-L328 PolarHBondContact N-O 2.75Å; Q204-L328 PolarHBondContact O-N 2.82Å; Q204-Q1590 VanDerWaalsContact NE2-CG 3.29Å; Q204-P1591 HydrophobicContact CB-CB 4.36Å; Q204-P1591 HydrophobicContact CB-CG 4.26Å |
| 205 | I | 86.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 113.2 | 178.5 | -56.8 | 157.5 | 0 | 0 | 0 | 108.2 | V207 F251 F252 F254 M261 L289 V325 V326 I327 | I205-V207 HydrophobicContact CG2-CG2 4.09Å; I205-F251 CarbonylContact O-C 3.54Å; I205-F251 WeakPolarHBondContact O-CA 3.5Å; I205-F252 HydrophobicContact CB-CB 4.35Å; I205-F252 PolarHBondContact N-O 3.45Å; I205-F252 PolarHBondContact O-N 3.06Å; I205-F254 HydrophobicContact CD1-CD2 3.64Å; I205-F254 HydrophobicContact CD1-CE2 3.69Å; I205-M261 HydrophobicContact CD1-SD 4.39Å; I205-L289 HydrophobicContact CD1-CD1 3.48Å; I205-L289 VanDerWaalsContact CD1-CD1 3.48Å; I205-L289 HydrophobicContact CD1-CD2 3.66Å; I205-L289 HydrophobicContact CD1-CG 4.21Å; I205-L289 HydrophobicContact CG1-CD2 4.28Å; I205-L289 HydrophobicContact CG2-CD2 4.19Å; I205-V325 HydrophobicContact CG2-CG1 3.87Å; I205-V326 CarbonylContact C-O 3.58Å; I205-V326 WeakPolarHBondContact CA-O 3.37Å; I205-I327 HydrophobicContact CG1-CD1 4.48Å; I205-I327 HydrophobicContact CG1-CG1 4.07Å; I205-I327 HydrophobicContact CG1-CG2 4.28Å; I205-I327 HydrophobicContact CG2-CG1 4.42Å |
| 206 | R | 84.3 | Confident | 78.2 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.9 | 177.5 | -49.3 | -172.9 | 168.6 | 172.8 | 0.2 | 109 | Q204 F250 F251 V325 V326 Q1590 | Q204-R206 HydrophobicContact CG-CG 4.13Å; Q204-R206 VanDerWaalsContact OE1-CZ 3.25Å; R206-F250 CarbonylContact C-O 3.52Å; R206-F250 WeakPolarHBondContact CA-O 3.38Å; R206-F251 HydrophobicContact CB-CD1 4.2Å; R206-F251 HydrophobicContact CB-CE1 4.06Å; R206-F251 HydrophobicContact CG-CD1 3.63Å; R206-F251 HydrophobicContact CG-CE1 3.56Å; R206-V325 CarbonylContact O-C 3.54Å; R206-V325 WeakPolarHBondContact O-CA 3.32Å; R206-V326 HydrophobicContact CB-CB 4.23Å; R206-V326 PolarHBondContact N-O 2.96Å; R206-V326 PolarHBondContact O-N 3.1Å; R206-Q1590 VanDerWaalsContact NH2-NE2 3.19Å |
| 207 | V | 89.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 112.6 | -176.3 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I205 I226 T249 F250 F252 L266 F268 S324 V325 | I205-V207 HydrophobicContact CG2-CG2 4.09Å; V207-I226 HydrophobicContact CB-CG2 4.44Å; V207-I226 HydrophobicContact CG1-CG1 4.34Å; V207-I226 HydrophobicContact CG1-CG2 3.97Å; V207-I226 HydrophobicContact CG2-CG2 4.45Å; V207-T249 CarbonylContact O-C 3.52Å; V207-T249 WeakPolarHBondContact O-CA 3.41Å; V207-F250 HydrophobicContact CB-CB 4.47Å; V207-F250 PolarHBondContact N-O 3.37Å; V207-F250 PolarHBondContact O-N 2.64Å; V207-F252 HydrophobicContact CB-CE2 4.41Å; V207-F252 HydrophobicContact CG2-CD2 4.16Å; V207-F252 HydrophobicContact CG2-CE2 3.98Å; V207-L266 HydrophobicContact CG2-CD1 4.13Å; V207-L266 HydrophobicContact CG2-CD2 3.85Å; V207-F268 HydrophobicContact CG1-CE1 3.3Å; V207-F268 HydrophobicContact CG1-CZ 3.43Å; V207-F268 VanDerWaalsContact CG1-CZ 3.43Å; V207-S324 CarbonylContact C-O 3.33Å; V207-S324 WeakPolarHBondContact CA-O 3.49Å; V207-V325 HydrophobicContact CG1-CG2 4.49Å; V207-V325 HydrophobicContact CG2-CG1 4.2Å; V207-V325 HydrophobicContact CG2-CG2 4.34Å |
| 208 | K | 88.4 | Confident | 77.2 | Confident | 23 Ų | 23 | 30.1 Ų | 30.1 | 10% | 0.1 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.8 | 172.9 | -174 | 172.3 | -174.1 | -173.1 | 0 | 110.6 | I210 D247 Q248 T249 I323 S324 M337 | K208-I210 HydrophobicContact CD-CG1 4.35Å; K208-I210 HydrophobicContact CG-CG1 4.09Å; K208-D247 WeakPolarHBondContact CE-OD1 3.39Å; K208-D247 IonicContact NZ-OD1 2.89Å; K208-D247 PolarHBondContact NZ-OD1 3.09Å; K208-Q248 CarbonylContact C-O 3.59Å; K208-Q248 VanDerWaalsContact CA-O 3.3Å; K208-Q248 WeakPolarHBondContact CA-O 3.4Å; K208-Q248 WeakPolarHBondContact CG-O 3.37Å; K208-T249 HydrophobicContact CB-CG2 4.14Å; K208-T249 WeakPolarHBondContact CG-OG1 2.96Å; K208-I323 CarbonylContact O-C 3.47Å; K208-I323 WeakPolarHBondContact O-CA 3.17Å; K208-I323 WeakPolarHBondContact O-CB 2.98Å; K208-S324 PolarHBondContact N-O 2.81Å; K208-S324 PolarHBondContact O-N 3.13Å; K208-M337 HydrophobicContact CB-CE 3.35Å; K208-M337 HydrophobicContact CD-CE 4.03Å; K208-M337 HydrophobicContact CG-CE 4.31Å |
| 209 | V | 90.6 | Very high | 76.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.9 | 172.2 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | C224 I226 T235 W246 D247 Q248 F250 F268 L321 I323 | V209-C224 HydrophobicContact CG1-CB 4.3Å; V209-I226 HydrophobicContact CG2-CD1 3.86Å; V209-I226 HydrophobicContact CG2-CG1 3.94Å; V209-T235 HydrophobicContact CB-CG2 4.13Å; V209-T235 HydrophobicContact CG1-CG2 4.12Å; V209-T235 HydrophobicContact CG2-CG2 4.45Å; V209-W246 HydrophobicContact CG1-CD2 4.45Å; V209-W246 HydrophobicContact CG1-CE3 3.73Å; V209-W246 HydrophobicContact CG1-CZ3 4.13Å; V209-D247 WeakPolarHBondContact O-CA 3.21Å; V209-D247 PolarHBondContact O-N 3.02Å; V209-Q248 PolarHBondContact N-O 2.8Å; V209-Q248 PolarHBondContact O-N 3.14Å; V209-F250 HydrophobicContact CB-CE2 4.42Å; V209-F250 HydrophobicContact CG2-CD2 4.32Å; V209-F250 HydrophobicContact CG2-CE2 4.05Å; V209-F268 HydrophobicContact CG2-CE1 4.39Å; V209-L321 HydrophobicContact CG1-CD1 3.81Å; V209-L321 HydrophobicContact CG1-CG 4.46Å; V209-I323 HydrophobicContact CG2-CG2 4.45Å |
| 210 | I | 86.5 | Confident | 76.5 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -64.1 | -170.9 | -57.1 | 170.2 | 0 | 0 | 0 | 109.6 | K208 F245 W246 D247 N302 K322 | K208-I210 HydrophobicContact CD-CG1 4.35Å; K208-I210 HydrophobicContact CG-CG1 4.09Å; I210-F245 HydrophobicContact CG2-CE2 4.03Å; I210-W246 PolarHBondContact O-N 2.64Å; I210-D247 PolarHBondContact O-N 3.48Å; I210-N302 WeakPolarHBondContact CD1-OD1 3.17Å; I210-K322 HydrophobicContact CB-CB 4.33Å; I210-K322 HydrophobicContact CD1-CD 4.42Å; I210-K322 HydrophobicContact CD1-CG 4.27Å; I210-K322 PolarHBondContact N-O 2.81Å |
| 211 | E | 87.1 | Confident | 76.6 | Confident | 35 Ų | 35 | 16.2 Ų | 16.2 | 16% | 0.164 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 162.4 | -178.1 | 61.7 | 175.6 | -166.5 | 0 | 0 | 110.9 | R213 P244 F245 W304 K322 | E211-R213 IonicContact OE1-CZ 2.76Å; E211-R213 IonicContact OE1-NE 3.65Å; E211-R213 PolarHBondContact OE1-NE 2.95Å; E211-R213 IonicContact OE1-NH2 3.37Å; E211-R213 PolarHBondContact OE1-NH2 3.49Å; E211-P244 CarbonylContact C-O 3.51Å; E211-P244 WeakPolarHBondContact CA-O 3.49Å; E211-P244 VanDerWaalsContact CB-O 3.32Å; E211-P244 WeakPolarHBondContact CB-O 3.46Å; E211-F245 HydrophobicContact CB-CB 4.49Å; E211-F245 HydrophobicContact CB-CD2 3.82Å; E211-W304 HydrophobicContact CG-CH2 3.83Å; E211-W304 HydrophobicContact CG-CZ2 4.45Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.38Å; E211-W304 WeakPolarHBondContact OE1-CZ2 3.25Å; E211-K322 HydrophobicContact CG-CB 3.92Å; E211-K322 HydrophobicContact CG-CD 4.42Å; E211-K322 PolarHBondContact O-N 2.83Å |
| 212 | A | 85.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 158.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L215 S243 P244 W246 Y320 L321 | A212-L215 HydrophobicContact CB-CD1 3.86Å; A212-L215 HydrophobicContact CB-CD2 3.84Å; A212-L215 HydrophobicContact CB-CG 3.84Å; A212-S243 CarbonylContact O-C 3.58Å; A212-S243 WeakPolarHBondContact O-CA 3.43Å; A212-P244 HydrophobicContact CB-CG 3.81Å; A212-P244 PolarHBondContact N-O 3.1Å; A212-W246 HydrophobicContact CB-CH2 4.07Å; A212-W246 HydrophobicContact CB-CZ3 3.72Å; A212-Y320 CarbonylContact C-O 3.6Å; A212-Y320 WeakPolarHBondContact CA-O 3.45Å; A212-Y320 WeakPolarHBondContact CB-O 3.47Å; A212-L321 HydrophobicContact CB-CD1 3.9Å |
| 213 | R | 79.3 | Confident | 78.4 | Confident | 34 Ų | 34 | 15.9 Ų | 15.9 | 13% | 0.128 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146 | 176.6 | -67.3 | 179.7 | -171.5 | -172.5 | 0.7 | 109.1 | E211 L215 W304 Y320 D343 | E211-R213 IonicContact OE1-CZ 2.76Å; E211-R213 IonicContact OE1-NE 3.65Å; E211-R213 PolarHBondContact OE1-NE 2.95Å; E211-R213 IonicContact OE1-NH2 3.37Å; E211-R213 PolarHBondContact OE1-NH2 3.49Å; R213-L215 PolarHBondContact O-N 3.25Å; R213-W304 HydrophobicContact CB-CH2 4.32Å; R213-W304 HydrophobicContact CB-CZ3 4.26Å; R213-W304 HydrophobicContact CG-CH2 3.64Å; R213-W304 HydrophobicContact CG-CZ3 4.06Å; R213-W304 VanDerWaalsContact NE-CH2 3.33Å; R213-Y320 PolarHBondContact N-O 2.96Å; R213-Y320 PolarHBondContact O-N 3.26Å; R213-D343 IonicContact CZ-OD2 3.4Å; R213-D343 IonicContact NH1-OD2 3.06Å; R213-D343 IonicContact NH2-OD2 3.92Å; R213-D343 PolarHBondContact NH2-OD2 3.19Å |
| 214 | Q | 72.1 | Confident | 78.9 | Confident | 24 Ų | 24 | 15.9 Ų | 15.9 | 11% | 0.112 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 54.1 | 37.8 | 173.8 | -55.8 | 172.7 | 11.6 | 0 | 0 | 113.3 | Q216 N242 G319 Y320 S438 | Q214-Q216 PolarHBondContact O-N 3.34Å; Q214-N242 PolarHBondContact N-O 2.95Å; Q214-G319 WeakPolarHBondContact O-CA 3.35Å; Q214-Y320 HydrophobicContact CB-CD2 4.32Å; Q214-S438 PolarHBondContact NE2-O 3.13Å; Q214-S438 PolarHBondContact OE1-O 3.13Å; Q214-S438 VanDerWaalsContact OE1-O 3.14Å |
| 215 | L | 76 | Confident | 79.5 | Confident | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | trans | -60.3 | 130.9 | 171 | -66.2 | 179.6 | 0 | 0 | 0 | 109.3 | A212 R213 G217 I220 P222 N242 P244 V270 I282 L307 | A212-L215 HydrophobicContact CB-CD1 3.86Å; A212-L215 HydrophobicContact CB-CD2 3.84Å; A212-L215 HydrophobicContact CB-CG 3.84Å; R213-L215 PolarHBondContact O-N 3.25Å; L215-G217 PolarHBondContact O-N 3.47Å; L215-I220 HydrophobicContact CB-CD1 3.64Å; L215-I220 HydrophobicContact CD1-CD1 4.14Å; L215-P222 HydrophobicContact CD1-CB 3.45Å; L215-P222 VanDerWaalsContact CD1-CB 3.45Å; L215-P222 HydrophobicContact CD1-CG 3.88Å; L215-N242 WeakPolarHBondContact CB-O 3.48Å; L215-N242 WeakPolarHBondContact CG-O 3.1Å; L215-N242 PolarHBondContact N-O 3.05Å; L215-P244 HydrophobicContact CD1-CG 3.77Å; L215-V270 HydrophobicContact CD1-CG1 3.91Å; L215-V270 HydrophobicContact CD2-CB 4.47Å; L215-V270 HydrophobicContact CD2-CG1 4.04Å; L215-I282 HydrophobicContact CB-CG2 4.36Å; L215-I282 HydrophobicContact CD2-CG2 4.47Å; L215-L307 HydrophobicContact CD2-CD1 3.7Å | ||
| 216 | Q | 70.2 | Confident | 79.8 | Confident | 39 Ų | 39 | 18.7 Ų | 18.7 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -67 | 129.2 | 179.2 | -171.3 | 180 | -9.1 | 0 | 0 | 110.6 | Q214 I282 K318 D474 | Q214-Q216 PolarHBondContact O-N 3.34Å; Q216-I282 HydrophobicContact CB-CG2 4.35Å; Q216-I282 WeakPolarHBondContact O-CG2 3.4Å; Q216-K318 PolarHBondContact N-O 2.8Å; Q216-D474 PolarHBondContact NE2-OD1 3.42Å |
| 217 | G | 61.4 | Low | 80 | Confident | 16 Ų | 16 | 19.2 Ų | 19.2 | 17% | 0.165 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 133.4 | 146 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L215 | L215-G217 PolarHBondContact O-N 3.47Š|
| 218 | A | 56.1 | Low | 79.9 | Confident | 56 Ų | 56 | 19.2 Ų | 19.2 | 46% | 0.463 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -93.6 | 132.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I220 | A218-I220 VanDerWaalsContact C-N 3.31Å; A218-I220 PolarHBondContact O-N 2.7Å |
| 219 | N | 59.7 | Low | 79.3 | Confident | 34 Ų | 34 | 22 Ų | 22 | 18% | 0.182 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 54 | 43.2 | 175.7 | -155.7 | 7.1 | 0 | 0 | 0 | 113.6 | R274 | N219-R274 PolarHBondContact ND2-NH1 2.78Å; N219-R274 PolarHBondContact O-NE 2.82Å; N219-R274 PolarHBondContact O-NH1 2.84Å; N219-R274 VanDerWaalsContact O-NH1 3.15Å; N219-R274 PolarHBondContact O-NH2 3.48Å; N219-R274 VanDerWaalsContact OD1-CZ 3.24Å; N219-R274 PolarHBondContact OD1-NH1 2.81Å; N219-R274 PolarHBondContact OD1-NH2 3.02Å |
| 220 | I | 69.7 | Low | 78.6 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | trans | -80.6 | 162.6 | 179.8 | 54.8 | 163.7 | 0 | 0 | 0 | 112.3 | L215 A218 P222 C240 T241 D272 R274 I282 | L215-I220 HydrophobicContact CB-CD1 3.64Å; L215-I220 HydrophobicContact CD1-CD1 4.14Å; A218-I220 VanDerWaalsContact C-N 3.31Å; A218-I220 PolarHBondContact O-N 2.7Å; I220-P222 HydrophobicContact CD1-CB 4.39Å; I220-P222 HydrophobicContact CD1-CG 4.45Å; I220-C240 WeakPolarHBondContact O-CA 3.18Å; I220-C240 PolarHBondContact O-N 3.05Å; I220-T241 WeakPolarHBondContact CG1-O 3.27Å; I220-T241 PolarHBondContact O-N 2.98Å; I220-D272 HydrophobicContact CB-CB 4.3Å; I220-D272 HydrophobicContact CG2-CB 4.16Å; I220-R274 PolarHBondContact O-NH2 2.84Å; I220-I282 HydrophobicContact CD1-CD1 3.59Å | ||
| 221 | S | 74 | Confident | 78.3 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | trans | -121.3 | 82.5 | 170 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | R238 D272 S273 R274 | S221-R238 CarbonylContact C-O 3.52Å; S221-R238 WeakPolarHBondContact CA-O 3.26Å; S221-R238 WeakPolarHBondContact CB-O 3.46Å; S221-D272 PolarHBondContact N-OD1 2.77Å; S221-S273 VanDerWaalsContact CB-OG 3.32Å; S221-S273 WeakPolarHBondContact CB-OG 3.4Å; S221-S273 WeakPolarHBondContact O-CB 3.4Å; S221-S273 PolarHBondContact O-N 2.88Å; S221-S273 PolarHBondContact O-OG 2.82Å; S221-R274 PolarHBondContact OG-NE 2.82Å; S221-R274 PolarHBondContact OG-NH2 2.99Å | ||
| 222 | P | 84.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.4 | -166.7 | 25.4 | -37.1 | 0 | 0 | 0 | 114.4 | L215 I220 R238 T241 P244 W246 V270 Y271 | L215-P222 HydrophobicContact CD1-CB 3.45Å; L215-P222 VanDerWaalsContact CD1-CB 3.45Å; L215-P222 HydrophobicContact CD1-CG 3.88Å; I220-P222 HydrophobicContact CD1-CB 4.39Å; I220-P222 HydrophobicContact CD1-CG 4.45Å; P222-R238 WeakPolarHBondContact CD-O 3.36Å; P222-R238 HydrophobicContact CG-CB 4.4Å; P222-R238 PolarHBondContact O-N 2.53Å; P222-R238 VanDerWaalsContact O-N 3.16Å; P222-T241 VanDerWaalsContact CD-O 3.27Å; P222-T241 WeakPolarHBondContact CD-O 3.39Å; P222-T241 HydrophobicContact CG-CG2 4.31Å; P222-T241 WeakPolarHBondContact CG-O 3.3Å; P222-P244 HydrophobicContact CB-CG 4.03Å; P222-P244 HydrophobicContact CG-CB 3.67Å; P222-P244 HydrophobicContact CG-CG 3.48Å; P222-P244 VanDerWaalsContact CG-CG 3.48Å; P222-W246 HydrophobicContact CB-CH2 4.27Å; P222-W246 HydrophobicContact CB-CZ2 3.99Å; P222-W246 HydrophobicContact CG-CZ2 4.36Å; P222-V270 HydrophobicContact CB-CG1 4.19Å; P222-Y271 VanDerWaalsContact CA-O 3.31Å; P222-Y271 WeakPolarHBondContact CA-O 3.41Å |
| 223 | I | 86.7 | Confident | 78.2 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 16% | 0.159 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 137.6 | 168.7 | -174.1 | 169.6 | 0 | 0 | 0 | 109.3 | D234 T235 V237 V270 Y271 | I223-D234 HydrophobicContact CD1-CB 4.07Å; I223-D234 HydrophobicContact CG1-CB 4.39Å; I223-T235 VanDerWaalsContact CD1-O 3.25Å; I223-T235 WeakPolarHBondContact CD1-O 3.46Å; I223-T235 VanDerWaalsContact CG1-O 3.26Å; I223-T235 WeakPolarHBondContact CG1-O 3.24Å; I223-V237 HydrophobicContact CB-CG2 4.33Å; I223-V237 HydrophobicContact CD1-CG2 4.11Å; I223-V270 CarbonylContact O-C 3.52Å; I223-V270 VanDerWaalsContact O-CA 3.32Å; I223-V270 WeakPolarHBondContact O-CA 3.48Å; I223-Y271 PolarHBondContact N-O 2.72Å; I223-Y271 PolarHBondContact O-N 3.46Å |
| 224 | C | 90.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.7 | 178.6 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | V209 D234 T235 W246 T269 V270 | V209-C224 HydrophobicContact CG1-CB 4.3Å; C224-D234 CarbonylContact O-C 3.56Å; C224-D234 WeakPolarHBondContact O-CA 3.13Å; C224-T235 HydrophobicContact CB-CG2 3.87Å; C224-T235 PolarHBondContact N-OG1 2.88Å; C224-T235 PolarHBondContact O-N 2.95Å; C224-W246 HydrophobicContact CB-CH2 4.19Å; C224-W246 HydrophobicContact CB-CZ2 4.44Å; C224-W246 HydrophobicContact CB-CZ3 4.47Å; C224-T269 CarbonylContact C-O 3.51Å; C224-T269 WeakPolarHBondContact CA-O 3.34Å; C224-V270 HydrophobicContact CB-CG2 4.23Å |
| 225 | K | 91.4 | Very high | 79.3 | Confident | 63 Ų | 63 | 39.9 Ų | 39.9 | 27% | 0.274 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.8 | 172.9 | 177.2 | 162.7 | -168.5 | 176.8 | 0 | 109.8 | K233 D234 F268 T269 Y271 | K225-K233 CarbonylContact C-O 3.57Å; K225-K233 WeakPolarHBondContact CA-O 3.25Å; K225-D234 WeakPolarHBondContact CA-OD1 3.46Å; K225-D234 WeakPolarHBondContact CB-OD1 3.2Å; K225-D234 WeakPolarHBondContact CD-OD1 3.23Å; K225-D234 WeakPolarHBondContact CG-OD1 3.45Å; K225-F268 CarbonylContact O-C 3.55Å; K225-T269 PolarHBondContact N-O 3.19Å; K225-T269 PolarHBondContact O-N 2.73Å; K225-Y271 HydrophobicContact CB-CD2 4.29Å; K225-Y271 HydrophobicContact CB-CE2 3.81Å; K225-Y271 HydrophobicContact CD-CE2 3.97Å; K225-Y271 HydrophobicContact CG-CE2 4.48Å |
| 226 | I | 92.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.5 | 178.7 | -52.3 | 86.4 | 0 | 0 | 0 | 106.9 | V207 V209 S232 K233 F250 F252 L266 V267 F268 | V207-I226 HydrophobicContact CB-CG2 4.44Å; V207-I226 HydrophobicContact CG1-CG1 4.34Å; V207-I226 HydrophobicContact CG1-CG2 3.97Å; V207-I226 HydrophobicContact CG2-CG2 4.45Å; V209-I226 HydrophobicContact CG2-CD1 3.86Å; V209-I226 HydrophobicContact CG2-CG1 3.94Å; I226-S232 CarbonylContact O-C 3.46Å; I226-S232 WeakPolarHBondContact O-CA 2.92Å; I226-K233 WeakPolarHBondContact CD1-O 3.28Å; I226-K233 PolarHBondContact N-O 2.78Å; I226-K233 PolarHBondContact O-N 3.47Å; I226-F250 HydrophobicContact CD1-CD2 3.4Å; I226-F250 HydrophobicContact CD1-CE1 4.38Å; I226-F250 HydrophobicContact CD1-CE2 3.25Å; I226-F250 HydrophobicContact CD1-CG 4.06Å; I226-F250 HydrophobicContact CD1-CZ 3.78Å; I226-F250 HydrophobicContact CG1-CD2 4.13Å; I226-F250 HydrophobicContact CG1-CE2 4.37Å; I226-F252 HydrophobicContact CB-CE2 4.46Å; I226-F252 HydrophobicContact CB-CZ 4.11Å; I226-F252 HydrophobicContact CG2-CE2 3.72Å; I226-F252 HydrophobicContact CG2-CZ 3.73Å; I226-L266 HydrophobicContact CG2-CD1 3.99Å; I226-V267 CarbonylContact C-O 3.49Å; I226-V267 WeakPolarHBondContact CA-O 3.42Å; I226-F268 HydrophobicContact CB-CD1 4.48Å; I226-F268 HydrophobicContact CG1-CD1 3.85Å; I226-F268 HydrophobicContact CG1-CE1 3.91Å; I226-F268 HydrophobicContact CG2-CD1 4.16Å; I226-F268 HydrophobicContact CG2-CE1 3.87Å; I226-F268 HydrophobicContact CG2-CZ 4.23Å |
| 227 | T | 88.8 | Confident | 79.9 | Confident | 30 Ų | 30 | 50 Ų | 50 | 18% | 0.184 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.3 | 175.4 | -53.9 | 0 | 0 | 0 | 0 | 109.7 | E231 S232 V267 | T227-E231 CarbonylContact C-O 3.55Å; T227-E231 WeakPolarHBondContact CA-O 3.35Å; T227-E231 WeakPolarHBondContact CG2-O 3.29Å; T227-S232 WeakPolarHBondContact CG2-OG 3.24Å; T227-S232 PolarHBondContact OG1-OG 2.66Å; T227-V267 PolarHBondContact N-O 2.79Å; T227-V267 PolarHBondContact O-N 2.8Å |
| 228 | C | 86.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.8 | 172.3 | -162.7 | 0 | 0 | 0 | 0 | 108.4 | K230 E231 F252 F254 L266 | C228-K230 PolarHBondContact O-N 2.89Å; C228-E231 PolarHBondContact N-O 2.7Å; C228-E231 PolarHBondContact O-N 3Å; C228-F252 HydrophobicContact CB-CB 3.88Å; C228-F252 HydrophobicContact CB-CD1 3.44Å; C228-F252 VanDerWaalsContact CB-CD1 3.44Å; C228-F252 HydrophobicContact CB-CD2 3.59Å; C228-F252 HydrophobicContact CB-CE1 3.74Å; C228-F252 HydrophobicContact CB-CE2 3.9Å; C228-F252 HydrophobicContact CB-CG 3.35Å; C228-F252 HydrophobicContact CB-CZ 3.96Å; C228-F254 HydrophobicContact CB-CE2 4.19Å; C228-F254 HydrophobicContact CB-CZ 4.19Å; C228-F254 WeakPolarHBondContact O-CZ 3.47Å; C228-F254 VanDerWaalsContact SG-CE2 3.54Å; C228-L266 HydrophobicContact CB-CD1 3.42Å; C228-L266 VanDerWaalsContact CB-CD1 3.42Å; C228-L266 VanDerWaalsContact SG-CD1 3.56Å |
| 229 | W | 77.5 | Confident | 81 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 31% | 0.307 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -94.6 | -176 | -163.1 | 8.6 | 0 | 0 | 0 | 113.4 | F254 Q264 Q265 | W229-F254 HydrophobicContact CB-CE1 4.03Å; W229-F254 HydrophobicContact CB-CE2 4.41Å; W229-F254 HydrophobicContact CB-CZ 3.79Å; W229-F254 HydrophobicContact CD2-CD1 4.35Å; W229-F254 HydrophobicContact CD2-CE1 4.26Å; W229-F254 HydrophobicContact CE3-CB 4.21Å; W229-F254 AromaticContact CE3-CD1 3.21Å; W229-F254 HydrophobicContact CE3-CD1 3.21Å; W229-F254 HydrophobicContact CE3-CD2 4.23Å; W229-F254 AromaticContact CE3-CE1 3.49Å; W229-F254 HydrophobicContact CE3-CE1 3.49Å; W229-F254 VanDerWaalsContact CE3-CE1 3.49Å; W229-F254 HydrophobicContact CE3-CE2 4.46Å; W229-F254 AromaticContact CE3-CG 3.61Å; W229-F254 HydrophobicContact CE3-CG 3.61Å; W229-F254 HydrophobicContact CE3-CZ 4.13Å; W229-F254 HydrophobicContact CZ3-CB 3.96Å; W229-F254 AromaticContact CZ3-CD1 3.6Å; W229-F254 HydrophobicContact CZ3-CD1 3.6Å; W229-F254 HydrophobicContact CZ3-CE1 4.31Å; W229-F254 AromaticContact CZ3-CG 3.87Å; W229-F254 HydrophobicContact CZ3-CG 3.87Å; W229-Q264 HydrophobicContact CD2-CG 3.86Å; W229-Q264 HydrophobicContact CE3-CG 4.34Å; W229-Q264 HydrophobicContact CG-CB 4.28Å; W229-Q264 HydrophobicContact CG-CG 4.04Å; W229-Q264 HydrophobicContact CZ2-CG 4.23Å; W229-Q265 PolarHBondContact N-O 2.84Å |
| 230 | K | 74 | Confident | 81.2 | Confident | 182 Ų | 182 | 55.8 Ų | 55.8 | 79% | 0.791 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -2.5 | 178.4 | -65.8 | -178.9 | -176.4 | 171.7 | 0 | 114.3 | C228 | C228-K230 PolarHBondContact O-N 2.89Š|
| 231 | E | 80.4 | Confident | 80.9 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.6 | -178.3 | -69.8 | -175.2 | -176.8 | 0 | 0 | 111.4 | T227 C228 F252 | T227-E231 CarbonylContact C-O 3.55Å; T227-E231 WeakPolarHBondContact CA-O 3.35Å; T227-E231 WeakPolarHBondContact CG2-O 3.29Å; C228-E231 PolarHBondContact N-O 2.7Å; C228-E231 PolarHBondContact O-N 3Å; E231-F252 HydrophobicContact CB-CD1 3.76Å; E231-F252 HydrophobicContact CB-CE1 3.95Å; E231-F252 WeakPolarHBondContact O-CE1 3.43Å |
| 232 | S | 85.4 | Confident | 80.8 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.8 | 177.8 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | I226 T227 | I226-S232 CarbonylContact O-C 3.46Å; I226-S232 WeakPolarHBondContact O-CA 2.92Å; T227-S232 WeakPolarHBondContact CG2-OG 3.24Å; T227-S232 PolarHBondContact OG1-OG 2.66Å |
| 233 | K | 84.8 | Confident | 80.4 | Confident | 73 Ų | 73 | 62.7 Ų | 62.7 | 32% | 0.317 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.5 | 175.6 | -64 | -175 | 174.5 | 177.6 | 0 | 111.7 | K225 I226 F250 F251 F252 | K225-K233 CarbonylContact C-O 3.57Å; K225-K233 WeakPolarHBondContact CA-O 3.25Å; I226-K233 WeakPolarHBondContact CD1-O 3.28Å; I226-K233 PolarHBondContact N-O 2.78Å; I226-K233 PolarHBondContact O-N 3.47Å; K233-F250 HydrophobicContact CB-CD1 3.49Å; K233-F250 VanDerWaalsContact CB-CD1 3.49Å; K233-F250 HydrophobicContact CB-CE1 3.92Å; K233-F250 HydrophobicContact CB-CG 4.2Å; K233-F250 HydrophobicContact CD-CB 4.14Å; K233-F250 HydrophobicContact CD-CD1 3.9Å; K233-F250 HydrophobicContact CD-CG 4.48Å; K233-F250 HydrophobicContact CG-CD1 4.29Å; K233-F251 PolarHBondContact NZ-O 3.14Å; K233-F252 HydrophobicContact CG-CE1 4.4Å; K233-F252 HydrophobicContact CG-CZ 4.47Å |
| 234 | D | 88.3 | Confident | 80.2 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.4 | -172.9 | -58.5 | -14.2 | 0 | 0 | 0 | 113.6 | I223 C224 K225 F250 | I223-D234 HydrophobicContact CD1-CB 4.07Å; I223-D234 HydrophobicContact CG1-CB 4.39Å; C224-D234 CarbonylContact O-C 3.56Å; C224-D234 WeakPolarHBondContact O-CA 3.13Å; K225-D234 WeakPolarHBondContact CA-OD1 3.46Å; K225-D234 WeakPolarHBondContact CB-OD1 3.2Å; K225-D234 WeakPolarHBondContact CD-OD1 3.23Å; K225-D234 WeakPolarHBondContact CG-OD1 3.45Å; D234-F250 WeakPolarHBondContact O-CE1 3.44Å; D234-F250 WeakPolarHBondContact O-CZ 3.39Å |
| 235 | T | 87.1 | Confident | 79.8 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 172.7 | 173.7 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | V209 I223 C224 W246 F250 | V209-T235 HydrophobicContact CB-CG2 4.13Å; V209-T235 HydrophobicContact CG1-CG2 4.12Å; V209-T235 HydrophobicContact CG2-CG2 4.45Å; I223-T235 VanDerWaalsContact CD1-O 3.25Å; I223-T235 WeakPolarHBondContact CD1-O 3.46Å; I223-T235 VanDerWaalsContact CG1-O 3.26Å; I223-T235 WeakPolarHBondContact CG1-O 3.24Å; C224-T235 HydrophobicContact CB-CG2 3.87Å; C224-T235 PolarHBondContact N-OG1 2.88Å; C224-T235 PolarHBondContact O-N 2.95Å; T235-W246 HydrophobicContact CG2-CD2 4.48Å; T235-W246 HydrophobicContact CG2-CG 4.32Å; T235-W246 PolarHBondContact OG1-NE1 3.16Å; T235-F250 HydrophobicContact CG2-CE2 3.78Å; T235-F250 HydrophobicContact CG2-CZ 3.71Å |
| 236 | R | 79.4 | Confident | 79.5 | Confident | 193 Ų | 193 | 63.4 Ų | 63.4 | 73% | 0.728 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 154.6 | 165.3 | -65.5 | 177 | -172.5 | -175.7 | 1.2 | 111.6 | W246 Q248 | R236-W246 PolarHBondContact O-NE1 2.77Å; R236-Q248 VanDerWaalsContact CG-NE2 3.31Å |
| 237 | V | 78.3 | Confident | 78.9 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 136.8 | 173.4 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | I223 S273 | I223-V237 HydrophobicContact CB-CG2 4.33Å; I223-V237 HydrophobicContact CD1-CG2 4.11Å; V237-S273 WeakPolarHBondContact CG1-OG 3.45Å |
| 238 | R | 75.3 | Confident | 78.6 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 42% | 0.415 | 32% | 0.323 | S | S | . | . | trans | -111.5 | 134.3 | 168.1 | -71.3 | -62.6 | -167.2 | 178.8 | 1.1 | 109.4 | S221 P222 T241 P244 F245 | S221-R238 CarbonylContact C-O 3.52Å; S221-R238 WeakPolarHBondContact CA-O 3.26Å; S221-R238 WeakPolarHBondContact CB-O 3.46Å; P222-R238 WeakPolarHBondContact CD-O 3.36Å; P222-R238 HydrophobicContact CG-CB 4.4Å; P222-R238 PolarHBondContact O-N 2.53Å; P222-R238 VanDerWaalsContact O-N 3.16Å; R238-T241 HydrophobicContact CB-CG2 3.94Å; R238-P244 HydrophobicContact CB-CB 3.8Å; R238-P244 HydrophobicContact CG-CB 3.85Å; R238-F245 PolarHBondContact NE-O 2.85Å; R238-F245 PolarHBondContact NH2-O 2.82Å | ||
| 239 | N | 66.4 | Low | 78.2 | Confident | 98 Ų | 98 | 69.6 Ų | 69.6 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | trans | -95 | 141.8 | -174.5 | -59.8 | -23.2 | 0 | 0 | 0 | 111.6 | T241 | N239-T241 PolarHBondContact O-N 2.85Š| ||
| 240 | C | 63.5 | Low | 78.5 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 57.4 | 42.4 | 167.6 | -45.9 | 0 | 0 | 0 | 0 | 114.5 | I220 R274 S765 | I220-C240 WeakPolarHBondContact O-CA 3.18Å; I220-C240 PolarHBondContact O-N 3.05Å; C240-R274 PolarHBondContact SG-NH2 2.83Å; C240-S765 PolarHBondContact SG-OG 2.94Å |
| 241 | T | 64.5 | Low | 78.5 | Confident | 39 Ų | 39 | 59 Ų | 59 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | trans | -146.1 | 136.3 | -178.4 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | I220 P222 R238 N239 S243 P244 | I220-T241 WeakPolarHBondContact CG1-O 3.27Å; I220-T241 PolarHBondContact O-N 2.98Å; P222-T241 VanDerWaalsContact CD-O 3.27Å; P222-T241 WeakPolarHBondContact CD-O 3.39Å; P222-T241 HydrophobicContact CG-CG2 4.31Å; P222-T241 WeakPolarHBondContact CG-O 3.3Å; R238-T241 HydrophobicContact CB-CG2 3.94Å; N239-T241 PolarHBondContact O-N 2.85Å; T241-S243 VanDerWaalsContact C-N 3.34Å; T241-S243 PolarHBondContact OG1-N 2.8Å; T241-S243 PolarHBondContact OG1-O 2.63Å; T241-P244 HydrophobicContact CG2-CB 3.92Å | ||
| 242 | N | 71.9 | Confident | 78.6 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -88.7 | -5.5 | 169.4 | 64.7 | 4.6 | 0 | 0 | 0 | 112.7 | Q214 L215 P244 | Q214-N242 PolarHBondContact N-O 2.95Å; L215-N242 WeakPolarHBondContact CB-O 3.48Å; L215-N242 WeakPolarHBondContact CG-O 3.1Å; L215-N242 PolarHBondContact N-O 3.05Å; N242-P244 VanDerWaalsContact C-CD 3.5Å |
| 243 | S | 75.5 | Confident | 78.3 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -133.6 | 65.2 | -176.8 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | A212 T241 | A212-S243 CarbonylContact O-C 3.58Å; A212-S243 WeakPolarHBondContact O-CA 3.43Å; T241-S243 VanDerWaalsContact C-N 3.34Å; T241-S243 PolarHBondContact OG1-N 2.8Å; T241-S243 PolarHBondContact OG1-O 2.63Å |
| 244 | P | 81.7 | Confident | 78 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | trans | -73 | 145.2 | -175.5 | 31.7 | -39 | 0 | 0 | 0 | 113.1 | E211 A212 L215 P222 R238 T241 N242 W246 | E211-P244 CarbonylContact C-O 3.51Å; E211-P244 WeakPolarHBondContact CA-O 3.49Å; E211-P244 VanDerWaalsContact CB-O 3.32Å; E211-P244 WeakPolarHBondContact CB-O 3.46Å; A212-P244 HydrophobicContact CB-CG 3.81Å; A212-P244 PolarHBondContact N-O 3.1Å; L215-P244 HydrophobicContact CD1-CG 3.77Å; P222-P244 HydrophobicContact CB-CG 4.03Å; P222-P244 HydrophobicContact CG-CB 3.67Å; P222-P244 HydrophobicContact CG-CG 3.48Å; P222-P244 VanDerWaalsContact CG-CG 3.48Å; R238-P244 HydrophobicContact CB-CB 3.8Å; R238-P244 HydrophobicContact CG-CB 3.85Å; T241-P244 HydrophobicContact CG2-CB 3.92Å; N242-P244 VanDerWaalsContact C-CD 3.5Å; P244-W246 HydrophobicContact CB-CD2 4.38Å; P244-W246 HydrophobicContact CB-CE3 4.44Å; P244-W246 HydrophobicContact CB-CH2 3.97Å; P244-W246 HydrophobicContact CB-CZ2 3.85Å; P244-W246 HydrophobicContact CB-CZ3 4.25Å; P244-W246 HydrophobicContact CG-CE3 4.23Å; P244-W246 HydrophobicContact CG-CH2 3.23Å; P244-W246 HydrophobicContact CG-CZ2 3.59Å; P244-W246 HydrophobicContact CG-CZ3 3.58Å | ||
| 245 | F | 83.1 | Confident | 77.3 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 42% | 0.421 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.6 | 171.1 | -173.4 | -92.4 | 0 | 0 | 0 | 110.3 | I210 E211 R238 D247 | I210-F245 HydrophobicContact CG2-CE2 4.03Å; E211-F245 HydrophobicContact CB-CB 4.49Å; E211-F245 HydrophobicContact CB-CD2 3.82Å; R238-F245 PolarHBondContact NE-O 2.85Å; R238-F245 PolarHBondContact NH2-O 2.82Å; F245-D247 HydrophobicContact CE1-CB 3.82Å; F245-D247 HydrophobicContact CZ-CB 3.99Å |
| 246 | W | 83.4 | Confident | 76.8 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -51.6 | -177.1 | -68.8 | -76.8 | 0 | 0 | 0 | 114 | V209 I210 A212 P222 C224 T235 R236 P244 Q248 L321 | V209-W246 HydrophobicContact CG1-CD2 4.45Å; V209-W246 HydrophobicContact CG1-CE3 3.73Å; V209-W246 HydrophobicContact CG1-CZ3 4.13Å; I210-W246 PolarHBondContact O-N 2.64Å; A212-W246 HydrophobicContact CB-CH2 4.07Å; A212-W246 HydrophobicContact CB-CZ3 3.72Å; P222-W246 HydrophobicContact CB-CH2 4.27Å; P222-W246 HydrophobicContact CB-CZ2 3.99Å; P222-W246 HydrophobicContact CG-CZ2 4.36Å; C224-W246 HydrophobicContact CB-CH2 4.19Å; C224-W246 HydrophobicContact CB-CZ2 4.44Å; C224-W246 HydrophobicContact CB-CZ3 4.47Å; T235-W246 HydrophobicContact CG2-CD2 4.48Å; T235-W246 HydrophobicContact CG2-CG 4.32Å; T235-W246 PolarHBondContact OG1-NE1 3.16Å; R236-W246 PolarHBondContact O-NE1 2.77Å; P244-W246 HydrophobicContact CB-CD2 4.38Å; P244-W246 HydrophobicContact CB-CE3 4.44Å; P244-W246 HydrophobicContact CB-CH2 3.97Å; P244-W246 HydrophobicContact CB-CZ2 3.85Å; P244-W246 HydrophobicContact CB-CZ3 4.25Å; P244-W246 HydrophobicContact CG-CE3 4.23Å; P244-W246 HydrophobicContact CG-CH2 3.23Å; P244-W246 HydrophobicContact CG-CZ2 3.59Å; P244-W246 HydrophobicContact CG-CZ3 3.58Å; W246-Q248 HydrophobicContact CB-CG 4.36Å; W246-L321 HydrophobicContact CZ3-CD1 3.82Å |
| 247 | D | 81.4 | Confident | 76.7 | Confident | 68 Ų | 68 | 42.6 Ų | 42.6 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56 | 51.9 | -174.2 | -158 | 32.2 | 0 | 0 | 0 | 114.4 | K208 V209 I210 F245 | K208-D247 WeakPolarHBondContact CE-OD1 3.39Å; K208-D247 IonicContact NZ-OD1 2.89Å; K208-D247 PolarHBondContact NZ-OD1 3.09Å; V209-D247 WeakPolarHBondContact O-CA 3.21Å; V209-D247 PolarHBondContact O-N 3.02Å; I210-D247 PolarHBondContact O-N 3.48Å; F245-D247 HydrophobicContact CE1-CB 3.82Å; F245-D247 HydrophobicContact CZ-CB 3.99Å |
| 248 | Q | 80.9 | Confident | 76.6 | Confident | 41 Ų | 41 | 39.8 Ų | 39.8 | 19% | 0.192 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 147.3 | -176 | -67.8 | 178.5 | 31.7 | 0 | 0 | 113 | K208 V209 R236 W246 F250 | K208-Q248 CarbonylContact C-O 3.59Å; K208-Q248 VanDerWaalsContact CA-O 3.3Å; K208-Q248 WeakPolarHBondContact CA-O 3.4Å; K208-Q248 WeakPolarHBondContact CG-O 3.37Å; V209-Q248 PolarHBondContact N-O 2.8Å; V209-Q248 PolarHBondContact O-N 3.14Å; R236-Q248 VanDerWaalsContact CG-NE2 3.31Å; W246-Q248 HydrophobicContact CB-CG 4.36Å; Q248-F250 HydrophobicContact CB-CE2 4.23Å; Q248-F250 HydrophobicContact CB-CZ 4.29Å |
| 249 | T | 79.5 | Confident | 76.7 | Confident | 50 Ų | 50 | 35.9 Ų | 35.9 | 31% | 0.307 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139 | -176 | -48 | 0 | 0 | 0 | 0 | 112.4 | V207 K208 F251 | V207-T249 CarbonylContact O-C 3.52Å; V207-T249 WeakPolarHBondContact O-CA 3.41Å; K208-T249 HydrophobicContact CB-CG2 4.14Å; K208-T249 WeakPolarHBondContact CG-OG1 2.96Å; T249-F251 HydrophobicContact CG2-CE2 3.78Å; T249-F251 HydrophobicContact CG2-CZ 3.79Å |
| 250 | F | 84 | Confident | 77.3 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 9% | 0.092 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.9 | -175 | -55.6 | -80.4 | 0 | 0 | 0 | 111.2 | R206 V207 V209 I226 K233 D234 T235 Q248 F252 | R206-F250 CarbonylContact C-O 3.52Å; R206-F250 WeakPolarHBondContact CA-O 3.38Å; V207-F250 HydrophobicContact CB-CB 4.47Å; V207-F250 PolarHBondContact N-O 3.37Å; V207-F250 PolarHBondContact O-N 2.64Å; V209-F250 HydrophobicContact CB-CE2 4.42Å; V209-F250 HydrophobicContact CG2-CD2 4.32Å; V209-F250 HydrophobicContact CG2-CE2 4.05Å; I226-F250 HydrophobicContact CD1-CD2 3.4Å; I226-F250 HydrophobicContact CD1-CE1 4.38Å; I226-F250 HydrophobicContact CD1-CE2 3.25Å; I226-F250 HydrophobicContact CD1-CG 4.06Å; I226-F250 HydrophobicContact CD1-CZ 3.78Å; I226-F250 HydrophobicContact CG1-CD2 4.13Å; I226-F250 HydrophobicContact CG1-CE2 4.37Å; K233-F250 HydrophobicContact CB-CD1 3.49Å; K233-F250 VanDerWaalsContact CB-CD1 3.49Å; K233-F250 HydrophobicContact CB-CE1 3.92Å; K233-F250 HydrophobicContact CB-CG 4.2Å; K233-F250 HydrophobicContact CD-CB 4.14Å; K233-F250 HydrophobicContact CD-CD1 3.9Å; K233-F250 HydrophobicContact CD-CG 4.48Å; K233-F250 HydrophobicContact CG-CD1 4.29Å; D234-F250 WeakPolarHBondContact O-CE1 3.44Å; D234-F250 WeakPolarHBondContact O-CZ 3.39Å; T235-F250 HydrophobicContact CG2-CE2 3.78Å; T235-F250 HydrophobicContact CG2-CZ 3.71Å; Q248-F250 HydrophobicContact CB-CE2 4.23Å; Q248-F250 HydrophobicContact CB-CZ 4.29Å; F250-F252 HydrophobicContact CB-CE2 4.37Å |
| 251 | F | 74.7 | Confident | 78.2 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 9% | 0.088 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.5 | -174.1 | -60.4 | -100.8 | 0 | 0 | 0 | 110.7 | I205 R206 K233 T249 I1784 | I205-F251 CarbonylContact O-C 3.54Å; I205-F251 WeakPolarHBondContact O-CA 3.5Å; R206-F251 HydrophobicContact CB-CD1 4.2Å; R206-F251 HydrophobicContact CB-CE1 4.06Å; R206-F251 HydrophobicContact CG-CD1 3.63Å; R206-F251 HydrophobicContact CG-CE1 3.56Å; K233-F251 PolarHBondContact NZ-O 3.14Å; T249-F251 HydrophobicContact CG2-CE2 3.78Å; T249-F251 HydrophobicContact CG2-CZ 3.79Å; F251-I1784 HydrophobicContact CD1-CG2 4.44Å; F251-I1784 HydrophobicContact CD2-CG2 3.8Å; F251-I1784 HydrophobicContact CE1-CG2 3.88Å; F251-I1784 HydrophobicContact CE2-CB 4.21Å; F251-I1784 HydrophobicContact CE2-CD1 4.24Å; F251-I1784 HydrophobicContact CE2-CG1 3.98Å; F251-I1784 HydrophobicContact CE2-CG2 3.2Å; F251-I1784 HydrophobicContact CG-CG2 4.44Å; F251-I1784 HydrophobicContact CZ-CB 4.24Å; F251-I1784 HydrophobicContact CZ-CD1 3.7Å; F251-I1784 HydrophobicContact CZ-CG1 3.94Å; F251-I1784 HydrophobicContact CZ-CG2 3.27Å |
| 252 | F | 82.2 | Confident | 79 | Confident | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132.1 | 177.4 | -55.5 | -88.2 | 0 | 0 | 0 | 109.4 | Q204 I205 V207 I226 C228 E231 K233 F250 F254 L266 | Q204-F252 CarbonylContact C-O 3.6Å; I205-F252 HydrophobicContact CB-CB 4.35Å; I205-F252 PolarHBondContact N-O 3.45Å; I205-F252 PolarHBondContact O-N 3.06Å; V207-F252 HydrophobicContact CB-CE2 4.41Å; V207-F252 HydrophobicContact CG2-CD2 4.16Å; V207-F252 HydrophobicContact CG2-CE2 3.98Å; I226-F252 HydrophobicContact CB-CE2 4.46Å; I226-F252 HydrophobicContact CB-CZ 4.11Å; I226-F252 HydrophobicContact CG2-CE2 3.72Å; I226-F252 HydrophobicContact CG2-CZ 3.73Å; C228-F252 HydrophobicContact CB-CB 3.88Å; C228-F252 HydrophobicContact CB-CD1 3.44Å; C228-F252 VanDerWaalsContact CB-CD1 3.44Å; C228-F252 HydrophobicContact CB-CD2 3.59Å; C228-F252 HydrophobicContact CB-CE1 3.74Å; C228-F252 HydrophobicContact CB-CE2 3.9Å; C228-F252 HydrophobicContact CB-CG 3.35Å; C228-F252 HydrophobicContact CB-CZ 3.96Å; E231-F252 HydrophobicContact CB-CD1 3.76Å; E231-F252 HydrophobicContact CB-CE1 3.95Å; E231-F252 WeakPolarHBondContact O-CE1 3.43Å; K233-F252 HydrophobicContact CG-CE1 4.4Å; K233-F252 HydrophobicContact CG-CZ 4.47Å; F250-F252 HydrophobicContact CB-CE2 4.37Å; F252-F254 HydrophobicContact CB-CE2 3.72Å; F252-F254 HydrophobicContact CB-CZ 3.96Å; F252-L266 HydrophobicContact CE2-CD1 4.42Å |
| 253 | N | 77.7 | Confident | 79.5 | Confident | 30 Ų | 30 | 33.8 Ų | 33.8 | 16% | 0.16 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.9 | -174.5 | -57 | -38.2 | 0 | 0 | 0 | 110.6 | F203 Q204 L1589 P1591 L1622 | F203-N253 WeakPolarHBondContact O-CA 3.43Å; Q204-N253 VanDerWaalsContact CG-OD1 3.29Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.35Å; Q204-N253 PolarHBondContact NE2-OD1 3.09Å; N253-L1589 PolarHBondContact ND2-O 3.32Å; N253-P1591 HydrophobicContact CB-CG 3.89Å; N253-P1591 WeakPolarHBondContact OD1-CD 3.38Å; N253-L1622 HydrophobicContact CB-CD1 3.99Å |
| 254 | F | 79.6 | Confident | 80 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 126.9 | -174.1 | -60.3 | -61.4 | 0 | 0 | 0 | 113.8 | D202 F203 I205 C228 W229 F252 | D202-F254 CarbonylContact C-O 3.48Å; D202-F254 WeakPolarHBondContact CA-O 3.45Å; D202-F254 WeakPolarHBondContact CB-O 3.43Å; F203-F254 PolarHBondContact N-O 3.26Å; F203-F254 PolarHBondContact O-N 2.9Å; I205-F254 HydrophobicContact CD1-CD2 3.64Å; I205-F254 HydrophobicContact CD1-CE2 3.69Å; C228-F254 HydrophobicContact CB-CE2 4.19Å; C228-F254 HydrophobicContact CB-CZ 4.19Å; C228-F254 WeakPolarHBondContact O-CZ 3.47Å; C228-F254 VanDerWaalsContact SG-CE2 3.54Å; W229-F254 HydrophobicContact CB-CE1 4.03Å; W229-F254 HydrophobicContact CB-CE2 4.41Å; W229-F254 HydrophobicContact CB-CZ 3.79Å; W229-F254 HydrophobicContact CD2-CD1 4.35Å; W229-F254 HydrophobicContact CD2-CE1 4.26Å; W229-F254 HydrophobicContact CE3-CB 4.21Å; W229-F254 AromaticContact CE3-CD1 3.21Å; W229-F254 HydrophobicContact CE3-CD1 3.21Å; W229-F254 HydrophobicContact CE3-CD2 4.23Å; W229-F254 AromaticContact CE3-CE1 3.49Å; W229-F254 HydrophobicContact CE3-CE1 3.49Å; W229-F254 VanDerWaalsContact CE3-CE1 3.49Å; W229-F254 HydrophobicContact CE3-CE2 4.46Å; W229-F254 AromaticContact CE3-CG 3.61Å; W229-F254 HydrophobicContact CE3-CG 3.61Å; W229-F254 HydrophobicContact CE3-CZ 4.13Å; W229-F254 HydrophobicContact CZ3-CB 3.96Å; W229-F254 AromaticContact CZ3-CD1 3.6Å; W229-F254 HydrophobicContact CZ3-CD1 3.6Å; W229-F254 HydrophobicContact CZ3-CE1 4.31Å; W229-F254 AromaticContact CZ3-CG 3.87Å; W229-F254 HydrophobicContact CZ3-CG 3.87Å; F252-F254 HydrophobicContact CB-CE2 3.72Å; F252-F254 HydrophobicContact CB-CZ 3.96Å |
| 255 | F | 73.9 | Confident | 80.2 | Confident | 69 Ų | 69 | 37.6 Ų | 37.6 | 30% | 0.303 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 103.2 | 169.5 | -174.4 | -130.2 | 0 | 0 | 0 | 111.9 | K200 Q201 D202 L1597 | K200-F255 HydrophobicContact CB-CE1 4.27Å; K200-F255 HydrophobicContact CB-CE2 4.13Å; K200-F255 HydrophobicContact CB-CZ 3.95Å; Q201-F255 CarbonylContact O-C 3.47Å; D202-F255 HydrophobicContact CB-CB 4.43Å; D202-F255 HydrophobicContact CB-CD2 4.37Å; D202-F255 VanDerWaalsContact CG-CD2 3.42Å; D202-F255 VanDerWaalsContact OD1-CB 3.23Å; D202-F255 WeakPolarHBondContact OD1-CB 3.45Å; D202-F255 WeakPolarHBondContact OD2-CD2 3.17Å; F255-L1597 HydrophobicContact CB-CD2 4.12Å; F255-L1597 HydrophobicContact CD1-CD1 4.09Å; F255-L1597 HydrophobicContact CD2-CD1 3.76Å; F255-L1597 HydrophobicContact CD2-CD2 4.3Å; F255-L1597 HydrophobicContact CD2-CG 3.83Å; F255-L1597 HydrophobicContact CE1-CD1 3.91Å; F255-L1597 HydrophobicContact CE2-CD1 3.52Å; F255-L1597 HydrophobicContact CE2-CG 4.02Å; F255-L1597 HydrophobicContact CG-CD1 4.01Å; F255-L1597 HydrophobicContact CG-CD2 4.09Å; F255-L1597 HydrophobicContact CG-CG 4.1Å; F255-L1597 HydrophobicContact CZ-CD1 3.6Å |
| 256 | D | 75.5 | Confident | 80.5 | Confident | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 170.4 | 173.8 | -141.6 | -25 | 0 | 0 | 0 | 113.9 | K200 Q201 A258 M261 | K200-D256 IonicContact NZ-OD1 2.98Å; K200-D256 PolarHBondContact NZ-OD1 2.88Å; Q201-D256 CarbonylContact C-O 3.6Å; Q201-D256 PolarHBondContact N-O 3.11Å; Q201-D256 CarbonylContact O-C 3.52Å; Q201-D256 PolarHBondContact O-N 3.35Å; D256-A258 PolarHBondContact O-N 3.01Å; D256-M261 HydrophobicContact CB-CB 4.18Å |
| 257 | S | 78.5 | Confident | 80.9 | Confident | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 142.6 | 173.7 | 67.1 | 0 | 0 | 0 | 0 | 109.5 | T198 K199 A259 E260 M261 | T198-S257 VanDerWaalsContact C-CB 3.45Å; T198-S257 WeakPolarHBondContact O-CB 3.34Å; K199-S257 WeakPolarHBondContact O-CA 3.3Å; S257-A259 PolarHBondContact O-N 3.27Å; S257-A259 VanDerWaalsContact O-N 3.09Å; S257-E260 PolarHBondContact O-N 3.03Å; S257-E260 WeakPolarHBondContact OG-CB 3.45Å; S257-E260 WeakPolarHBondContact OG-CG 3.45Å; S257-E260 PolarHBondContact OG-N 3.07Å; S257-M261 PolarHBondContact O-N 3.34Å |
| 258 | A | 75.2 | Confident | 81.4 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52.2 | -35.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | S197 F203 D256 L262 | S197-A258 PolarHBondContact O-N 3.35Å; F203-A258 HydrophobicContact CE2-CB 4.43Å; F203-A258 HydrophobicContact CZ-CB 3.87Å; D256-A258 PolarHBondContact O-N 3.01Å; A258-L262 HydrophobicContact CB-CD1 4.05Å; A258-L262 WeakPolarHBondContact O-CB 3.3Å; A258-L262 WeakPolarHBondContact O-CD1 3.44Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 2.97Å; A258-L262 VanDerWaalsContact O-N 3.08Å |
| 259 | A | 77 | Confident | 81.8 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 23% | 0.231 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | S197 T198 S257 | S197-A259 PolarHBondContact O-N 3.5Å; S197-A259 VanDerWaalsContact O-N 3.16Å; T198-A259 HydrophobicContact CG2-CB 4.21Å; S257-A259 PolarHBondContact O-N 3.27Å; S257-A259 VanDerWaalsContact O-N 3.09Å |
| 260 | E | 79.9 | Confident | 82.3 | Confident | 96 Ų | 96 | 27 Ų | 27 | 45% | 0.449 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -82.7 | -37.9 | -179.2 | -73.6 | -175.5 | 143.4 | 0 | 0 | 113.3 | K200 S257 Q264 | K200-E260 IonicContact NZ-OE2 3.76Å; K200-E260 PolarHBondContact NZ-OE2 2.84Å; S257-E260 PolarHBondContact O-N 3.03Å; S257-E260 WeakPolarHBondContact OG-CB 3.45Å; S257-E260 WeakPolarHBondContact OG-CG 3.45Å; S257-E260 PolarHBondContact OG-N 3.07Å; E260-Q264 PolarHBondContact O-NE2 2.78Å; E260-Q264 VanDerWaalsContact O-NE2 3.17Å |
| 261 | M | 81.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.9 | -43.2 | -178.6 | -176.3 | -87.1 | -64.8 | 0 | 0 | 112.4 | F203 I205 D256 S257 D263 Q264 L289 I327 | F203-M261 HydrophobicContact CB-CE 3.36Å; F203-M261 HydrophobicContact CB-SD 4.35Å; F203-M261 HydrophobicContact CD1-CE 3.33Å; F203-M261 HydrophobicContact CD2-CE 3.29Å; F203-M261 HydrophobicContact CE1-CE 3.83Å; F203-M261 HydrophobicContact CE2-CE 3.79Å; F203-M261 HydrophobicContact CG-CE 3.02Å; F203-M261 HydrophobicContact CG-SD 4.49Å; F203-M261 HydrophobicContact CZ-CE 4.04Å; I205-M261 HydrophobicContact CD1-SD 4.39Å; D256-M261 HydrophobicContact CB-CB 4.18Å; S257-M261 PolarHBondContact O-N 3.34Å; M261-D263 PolarHBondContact O-N 3.35Å; M261-Q264 VanDerWaalsContact O-CB 3.29Å; M261-Q264 WeakPolarHBondContact O-CB 3.33Å; M261-Q264 PolarHBondContact O-N 2.94Å; M261-L289 HydrophobicContact CG-CD1 4.35Å; M261-L289 HydrophobicContact SD-CB 4.04Å; M261-L289 HydrophobicContact SD-CD1 3.6Å; M261-L289 HydrophobicContact SD-CG 4.44Å; M261-I327 HydrophobicContact CE-CG2 4.36Å |
| 262 | L | 82.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.6 | -178.3 | -61.8 | 176.1 | 0 | 0 | 0 | 112.8 | Y196 A258 L289 S290 Y293 | Y196-L262 HydrophobicContact CD1-CD1 3.61Å; Y196-L262 HydrophobicContact CD2-CD1 4.16Å; Y196-L262 HydrophobicContact CE1-CD1 3.81Å; Y196-L262 HydrophobicContact CE2-CD1 4.31Å; Y196-L262 HydrophobicContact CG-CD1 3.83Å; A258-L262 HydrophobicContact CB-CD1 4.05Å; A258-L262 WeakPolarHBondContact O-CB 3.3Å; A258-L262 WeakPolarHBondContact O-CD1 3.44Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 2.97Å; A258-L262 VanDerWaalsContact O-N 3.08Å; L262-L289 HydrophobicContact CD2-CB 4.43Å; L262-S290 VanDerWaalsContact O-CB 3.31Å; L262-S290 WeakPolarHBondContact O-CB 3.25Å; L262-S290 PolarHBondContact O-N 3.49Å; L262-S290 PolarHBondContact O-OG 2.81Å; L262-Y293 HydrophobicContact CD1-CD1 3.68Å; L262-Y293 HydrophobicContact CD1-CE1 4.26Å; L262-Y293 HydrophobicContact CD1-CG 4.11Å; L262-Y293 VanDerWaalsContact CD2-CB 3.43Å; L262-Y293 HydrophobicContact CD2-CD1 4.14Å; L262-Y293 HydrophobicContact CD2-CD2 4.21Å; L262-Y293 HydrophobicContact CD2-CG 3.67Å |
| 263 | D | 81.4 | Confident | 82 | Confident | 86 Ų | 86 | 30 Ų | 30 | 46% | 0.46 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -7 | 169.3 | -84.8 | -10.5 | 0 | 0 | 0 | 112.9 | R193 M261 | R193-D263 IonicContact NH1-OD1 3Å; M261-D263 PolarHBondContact O-N 3.35Å |
| 264 | Q | 86.4 | Confident | 81.4 | Confident | 54 Ų | 54 | 32.8 Ų | 32.8 | 25% | 0.252 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -83.5 | 161.3 | 175.4 | -56.3 | -53.8 | -48 | 0 | 0 | 112.9 | W229 E260 M261 D288 L289 | W229-Q264 HydrophobicContact CD2-CG 3.86Å; W229-Q264 HydrophobicContact CE3-CG 4.34Å; W229-Q264 HydrophobicContact CG-CB 4.28Å; W229-Q264 HydrophobicContact CG-CG 4.04Å; W229-Q264 HydrophobicContact CZ2-CG 4.23Å; E260-Q264 PolarHBondContact O-NE2 2.78Å; E260-Q264 VanDerWaalsContact O-NE2 3.17Å; M261-Q264 VanDerWaalsContact O-CB 3.29Å; M261-Q264 WeakPolarHBondContact O-CB 3.33Å; M261-Q264 PolarHBondContact O-N 2.94Å; Q264-D288 CarbonylContact O-C 3.58Å; Q264-D288 WeakPolarHBondContact O-CA 3.4Å; Q264-L289 HydrophobicContact CB-CD1 4.17Å; Q264-L289 PolarHBondContact O-N 3.47Å |
| 265 | Q | 86.4 | Confident | 80.3 | Confident | 71 Ų | 71 | 37.4 Ų | 37.4 | 33% | 0.332 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.5 | -172.9 | -58.7 | -164.5 | -36.7 | 0 | 0 | 113.4 | W229 V267 K286 F287 D288 | W229-Q265 PolarHBondContact N-O 2.84Å; Q265-V267 HydrophobicContact CB-CG2 4.45Å; Q265-K286 VanDerWaalsContact OE1-NZ 3.14Å; Q265-F287 WeakPolarHBondContact CA-O 3.4Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.15Å; Q265-D288 PolarHBondContact NE2-OD1 3.22Å |
| 266 | L | 89.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.1 | 164.1 | -174.6 | 66.1 | 0 | 0 | 0 | 108.8 | V207 I226 C228 F252 F268 K286 F287 L289 V325 | V207-L266 HydrophobicContact CG2-CD1 4.13Å; V207-L266 HydrophobicContact CG2-CD2 3.85Å; I226-L266 HydrophobicContact CG2-CD1 3.99Å; C228-L266 HydrophobicContact CB-CD1 3.42Å; C228-L266 VanDerWaalsContact CB-CD1 3.42Å; C228-L266 VanDerWaalsContact SG-CD1 3.56Å; F252-L266 HydrophobicContact CE2-CD1 4.42Å; L266-F268 HydrophobicContact CD2-CE2 3.57Å; L266-F268 HydrophobicContact CD2-CZ 3.68Å; L266-F268 HydrophobicContact CG-CD2 4.44Å; L266-F268 HydrophobicContact CG-CE2 3.59Å; L266-F268 HydrophobicContact CG-CZ 4Å; L266-K286 VanDerWaalsContact O-CA 3.23Å; L266-K286 WeakPolarHBondContact O-CA 3.25Å; L266-F287 HydrophobicContact CB-CE2 4.4Å; L266-F287 HydrophobicContact CB-CZ 4.33Å; L266-F287 HydrophobicContact CD2-CE1 4.34Å; L266-F287 HydrophobicContact CD2-CE2 4.34Å; L266-F287 HydrophobicContact CD2-CZ 3.77Å; L266-F287 HydrophobicContact CG-CZ 4.47Å; L266-F287 PolarHBondContact N-O 2.84Å; L266-F287 PolarHBondContact O-N 2.79Å; L266-F287 VanDerWaalsContact O-N 3.12Å; L266-L289 HydrophobicContact CB-CD2 3.99Å; L266-V325 HydrophobicContact CD2-CG1 3.97Å; L266-V325 HydrophobicContact CD2-CG2 3.94Å |
| 267 | V | 90.8 | Very high | 77.8 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 19% | 0.194 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131 | -173 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | I226 T227 Q265 S284 F285 K286 | I226-V267 CarbonylContact C-O 3.49Å; I226-V267 WeakPolarHBondContact CA-O 3.42Å; T227-V267 PolarHBondContact N-O 2.79Å; T227-V267 PolarHBondContact O-N 2.8Å; Q265-V267 HydrophobicContact CB-CG2 4.45Å; V267-S284 WeakPolarHBondContact CG1-OG 3.44Å; V267-F285 CarbonylContact C-O 3.47Å; V267-F285 WeakPolarHBondContact CA-O 3.43Å; V267-K286 HydrophobicContact CB-CB 4.26Å; V267-K286 HydrophobicContact CG1-CB 4.25Å; V267-K286 HydrophobicContact CG2-CB 3.82Å |
| 268 | F | 92 | Very high | 76.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.4 | 173 | -64.5 | -97.3 | 0 | 0 | 0 | 108.3 | V207 V209 K225 I226 L266 S284 F285 F287 L305 L321 I323 V325 | V207-F268 HydrophobicContact CG1-CE1 3.3Å; V207-F268 HydrophobicContact CG1-CZ 3.43Å; V207-F268 VanDerWaalsContact CG1-CZ 3.43Å; V209-F268 HydrophobicContact CG2-CE1 4.39Å; K225-F268 CarbonylContact O-C 3.55Å; I226-F268 HydrophobicContact CB-CD1 4.48Å; I226-F268 HydrophobicContact CG1-CD1 3.85Å; I226-F268 HydrophobicContact CG1-CE1 3.91Å; I226-F268 HydrophobicContact CG2-CD1 4.16Å; I226-F268 HydrophobicContact CG2-CE1 3.87Å; I226-F268 HydrophobicContact CG2-CZ 4.23Å; L266-F268 HydrophobicContact CD2-CE2 3.57Å; L266-F268 HydrophobicContact CD2-CZ 3.68Å; L266-F268 HydrophobicContact CG-CD2 4.44Å; L266-F268 HydrophobicContact CG-CE2 3.59Å; L266-F268 HydrophobicContact CG-CZ 4Å; F268-S284 CarbonylContact O-C 3.54Å; F268-S284 WeakPolarHBondContact O-CA 3.4Å; F268-S284 WeakPolarHBondContact O-CB 3.22Å; F268-S284 PolarHBondContact O-OG 3.05Å; F268-F285 PolarHBondContact N-O 3.4Å; F268-F285 PolarHBondContact O-N 3.16Å; F268-F287 HydrophobicContact CD2-CE1 4.37Å; F268-F287 AromaticContact CE2-CE1 3.77Å; F268-F287 HydrophobicContact CE2-CE1 3.77Å; F268-F287 HydrophobicContact CE2-CZ 4.31Å; F268-L305 HydrophobicContact CB-CD1 4.17Å; F268-L305 HydrophobicContact CD1-CD1 4.32Å; F268-L305 HydrophobicContact CD2-CD1 3.35Å; F268-L305 HydrophobicContact CE2-CD1 3.73Å; F268-L305 HydrophobicContact CG-CD1 3.69Å; F268-L305 HydrophobicContact CZ-CD1 4.35Å; F268-L321 HydrophobicContact CB-CD2 3.89Å; F268-L321 HydrophobicContact CD1-CD2 3.74Å; F268-L321 HydrophobicContact CG-CD2 4.08Å; F268-I323 HydrophobicContact CD1-CG2 4.21Å; F268-I323 HydrophobicContact CD2-CD1 4.49Å; F268-I323 HydrophobicContact CE1-CB 4.47Å; F268-I323 HydrophobicContact CE1-CD1 3.92Å; F268-I323 HydrophobicContact CE1-CG2 3.85Å; F268-I323 HydrophobicContact CE2-CD1 3.67Å; F268-I323 HydrophobicContact CZ-CD1 3.33Å; F268-I323 HydrophobicContact CZ-CG2 4.38Å; F268-V325 HydrophobicContact CZ-CG2 4.3Å |
| 269 | T | 90.2 | Very high | 75.1 | Confident | 13 Ų | 13 | 68 Ų | 68 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 123.4 | -174.7 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | C224 K225 Y271 L281 G283 S284 | C224-T269 CarbonylContact C-O 3.51Å; C224-T269 WeakPolarHBondContact CA-O 3.34Å; K225-T269 PolarHBondContact N-O 3.19Å; K225-T269 PolarHBondContact O-N 2.73Å; T269-Y271 HydrophobicContact CG2-CD2 4.32Å; T269-Y271 HydrophobicContact CG2-CE1 4.17Å; T269-Y271 HydrophobicContact CG2-CE2 3.54Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.46Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.37Å; T269-L281 HydrophobicContact CG2-CD1 3.17Å; T269-G283 CarbonylContact C-O 3.54Å; T269-G283 WeakPolarHBondContact CA-O 3.38Å; T269-S284 PolarHBondContact OG1-OG 3.4Å |
| 270 | V | 88.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.1 | -179 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | L215 P222 I223 C224 I282 G283 L307 | L215-V270 HydrophobicContact CD1-CG1 3.91Å; L215-V270 HydrophobicContact CD2-CB 4.47Å; L215-V270 HydrophobicContact CD2-CG1 4.04Å; P222-V270 HydrophobicContact CB-CG1 4.19Å; I223-V270 CarbonylContact O-C 3.52Å; I223-V270 VanDerWaalsContact O-CA 3.32Å; I223-V270 WeakPolarHBondContact O-CA 3.48Å; C224-V270 HydrophobicContact CB-CG2 4.23Å; V270-I282 HydrophobicContact CG1-CD1 4.16Å; V270-I282 WeakPolarHBondContact O-CB 3.29Å; V270-I282 PolarHBondContact O-N 2.86Å; V270-G283 PolarHBondContact N-O 2.82Å; V270-G283 PolarHBondContact O-N 2.8Å; V270-L307 HydrophobicContact CB-CD1 4.19Å; V270-L307 HydrophobicContact CG2-CD1 3.63Å; V270-L307 HydrophobicContact CG2-CD2 4.39Å |
| 271 | Y | 86 | Confident | 74.8 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 156.7 | -178.8 | -60.7 | -87.5 | 0 | 0 | 0 | 111.5 | P222 I223 K225 T269 L281 | P222-Y271 VanDerWaalsContact CA-O 3.31Å; P222-Y271 WeakPolarHBondContact CA-O 3.41Å; I223-Y271 PolarHBondContact N-O 2.72Å; I223-Y271 PolarHBondContact O-N 3.46Å; K225-Y271 HydrophobicContact CB-CD2 4.29Å; K225-Y271 HydrophobicContact CB-CE2 3.81Å; K225-Y271 HydrophobicContact CD-CE2 3.97Å; K225-Y271 HydrophobicContact CG-CE2 4.48Å; T269-Y271 HydrophobicContact CG2-CD2 4.32Å; T269-Y271 HydrophobicContact CG2-CE1 4.17Å; T269-Y271 HydrophobicContact CG2-CE2 3.54Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.46Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.37Å; Y271-L281 HydrophobicContact CD1-CB 4.27Å; Y271-L281 HydrophobicContact CD1-CD1 4.5Å; Y271-L281 HydrophobicContact CE1-CB 4.14Å; Y271-L281 HydrophobicContact CE1-CD1 4.18Å |
| 272 | D | 78.7 | Confident | 74.7 | Confident | 11 Ų | 11 | 67.1 Ų | 67.1 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.7 | 166 | 178.7 | 17.7 | 0 | 0 | 0 | 110.4 | I220 S221 R274 S280 I282 | I220-D272 HydrophobicContact CB-CB 4.3Å; I220-D272 HydrophobicContact CG2-CB 4.16Å; S221-D272 PolarHBondContact N-OD1 2.77Å; D272-R274 PolarHBondContact O-N 2.84Å; D272-R274 WeakPolarHBondContact OD1-CB 3.31Å; D272-R274 PolarHBondContact OD1-N 2.86Å; D272-R274 VanDerWaalsContact OD1-N 3.07Å; D272-S280 PolarHBondContact N-O 2.93Å; D272-I282 HydrophobicContact CB-CD1 4.08Å; D272-I282 HydrophobicContact CB-CG1 4.3Å |
| 273 | S | 70 | Confident | 74.8 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.1 | -178.5 | 79.9 | 0 | 0 | 0 | 0 | 114 | S221 V237 | S221-S273 VanDerWaalsContact CB-OG 3.32Å; S221-S273 WeakPolarHBondContact CB-OG 3.4Å; S221-S273 WeakPolarHBondContact O-CB 3.4Å; S221-S273 PolarHBondContact O-N 2.88Å; S221-S273 PolarHBondContact O-OG 2.82Å; V237-S273 WeakPolarHBondContact CG1-OG 3.45Å |
| 274 | R | 65.1 | Low | 75.1 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -21.7 | -170.7 | -141.3 | -171 | -75.6 | -178.5 | 10.9 | 114 | N219 I220 S221 C240 D272 | N219-R274 PolarHBondContact ND2-NH1 2.78Å; N219-R274 PolarHBondContact O-NE 2.82Å; N219-R274 PolarHBondContact O-NH1 2.84Å; N219-R274 VanDerWaalsContact O-NH1 3.15Å; N219-R274 PolarHBondContact O-NH2 3.48Å; N219-R274 VanDerWaalsContact OD1-CZ 3.24Å; N219-R274 PolarHBondContact OD1-NH1 2.81Å; N219-R274 PolarHBondContact OD1-NH2 3.02Å; I220-R274 PolarHBondContact O-NH2 2.84Å; S221-R274 PolarHBondContact OG-NE 2.82Å; S221-R274 PolarHBondContact OG-NH2 2.99Å; C240-R274 PolarHBondContact SG-NH2 2.83Å; D272-R274 PolarHBondContact O-N 2.84Å; D272-R274 WeakPolarHBondContact OD1-CB 3.31Å; D272-R274 PolarHBondContact OD1-N 2.86Å; D272-R274 VanDerWaalsContact OD1-N 3.07Å |
| 275 | R | 56.2 | Low | 75.3 | Confident | 116 Ų | 116 | 61.1 Ų | 61.1 | 44% | 0.438 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -77.6 | 143.8 | 177.3 | -72.8 | -177.3 | 169.9 | 179.6 | -2.3 | 110.9 | R277 S280 | R275-R277 CarbonylContact O-C 3.58Å; R275-R277 PolarHBondContact O-N 3Å; R275-R277 VanDerWaalsContact O-O 3.06Å; R275-S280 PolarHBondContact NH1-OG 2.85Å |
| 276 | L | 50.5 | Low | 75.4 | Confident | 189 Ų | 189 | 63.1 Ų | 63.1 | 99% | 0.99 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -51.9 | -28.7 | 178.9 | -93.9 | 132.1 | 0 | 0 | 0 | 113.8 | ||
| 277 | R | 48.1 | Very low | 75.3 | Confident | 208 Ų | 208 | 63.8 Ų | 63.8 | 79% | 0.785 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -86 | 110.9 | 163.1 | -64.6 | -175.2 | -174.2 | 177.2 | 3.3 | 107.3 | R275 D279 S280 | R275-R277 CarbonylContact O-C 3.58Å; R275-R277 PolarHBondContact O-N 3Å; R275-R277 VanDerWaalsContact O-O 3.06Å; R277-D279 PolarHBondContact O-N 3.42Å; R277-S280 PolarHBondContact O-N 2.95Å |
| 278 | R | 45.8 | Very low | 75.1 | Confident | 214 Ų | 214 | 64.6 Ų | 64.6 | 81% | 0.808 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -7.2 | 174 | -73.3 | -177.7 | 178.6 | 171.2 | -0.8 | 114.3 | ||
| 279 | D | 50.4 | Low | 74.8 | Confident | 126 Ų | 126 | 64.6 Ų | 64.6 | 67% | 0.674 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 27.7 | -169.7 | -50 | -34.4 | 0 | 0 | 0 | 113.8 | R277 L281 | R277-D279 PolarHBondContact O-N 3.42Å; D279-L281 VanDerWaalsContact C-N 3.3Å; D279-L281 PolarHBondContact O-N 3.25Å |
| 280 | S | 70.8 | Confident | 74.5 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 90.7 | 172 | -167.2 | 0 | 0 | 0 | 0 | 109.6 | D272 R275 R277 I282 | D272-S280 PolarHBondContact N-O 2.93Å; R275-S280 PolarHBondContact NH1-OG 2.85Å; R277-S280 PolarHBondContact O-N 2.95Å; S280-I282 PolarHBondContact O-N 2.79Å |
| 281 | L | 80.7 | Confident | 74.2 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 32% | 0.319 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 124.8 | 177 | 175.3 | 62.9 | 0 | 0 | 0 | 110.6 | T269 Y271 D279 P310 | T269-L281 HydrophobicContact CG2-CD1 3.17Å; Y271-L281 HydrophobicContact CD1-CB 4.27Å; Y271-L281 HydrophobicContact CD1-CD1 4.5Å; Y271-L281 HydrophobicContact CE1-CB 4.14Å; Y271-L281 HydrophobicContact CE1-CD1 4.18Å; D279-L281 VanDerWaalsContact C-N 3.3Å; D279-L281 PolarHBondContact O-N 3.25Å; L281-P310 HydrophobicContact CD2-CG 3.91Å |
| 282 | I | 79.1 | Confident | 74.1 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -54 | 169.7 | -63.9 | 168.6 | 0 | 0 | 0 | 108.9 | L215 Q216 I220 V270 D272 S280 K318 | L215-I282 HydrophobicContact CB-CG2 4.36Å; L215-I282 HydrophobicContact CD2-CG2 4.47Å; Q216-I282 HydrophobicContact CB-CG2 4.35Å; Q216-I282 WeakPolarHBondContact O-CG2 3.4Å; I220-I282 HydrophobicContact CD1-CD1 3.59Å; V270-I282 HydrophobicContact CG1-CD1 4.16Å; V270-I282 WeakPolarHBondContact O-CB 3.29Å; V270-I282 PolarHBondContact O-N 2.86Å; D272-I282 HydrophobicContact CB-CD1 4.08Å; D272-I282 HydrophobicContact CB-CG1 4.3Å; S280-I282 PolarHBondContact O-N 2.79Å; I282-K318 VanDerWaalsContact O-CB 3.29Å; I282-K318 WeakPolarHBondContact O-CB 3.38Å; I282-K318 WeakPolarHBondContact O-CG 3.45Å |
| 283 | G | 84.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 163.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T269 V270 | T269-G283 CarbonylContact C-O 3.54Å; T269-G283 WeakPolarHBondContact CA-O 3.38Å; V270-G283 PolarHBondContact N-O 2.82Å; V270-G283 PolarHBondContact O-N 2.8Å |
| 284 | S | 87.8 | Confident | 74.8 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.7 | -178 | -169.1 | 0 | 0 | 0 | 0 | 112.5 | V267 F268 T269 C308 | V267-S284 WeakPolarHBondContact CG1-OG 3.44Å; F268-S284 CarbonylContact O-C 3.54Å; F268-S284 WeakPolarHBondContact O-CA 3.4Å; F268-S284 WeakPolarHBondContact O-CB 3.22Å; F268-S284 PolarHBondContact O-OG 3.05Å; T269-S284 PolarHBondContact OG1-OG 3.4Å; S284-C308 PolarHBondContact N-O 3.08Å; S284-C308 PolarHBondContact O-N 3.09Å; S284-C308 VanDerWaalsContact O-O 3.06Å; S284-C308 PolarHBondContact O-SG 3.05Å; S284-C308 VanDerWaalsContact O-SG 3.37Å |
| 285 | F | 89.9 | Confident | 75.5 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 143.4 | 172.2 | -172.7 | -92.5 | 0 | 0 | 0 | 109.4 | V267 F268 F287 L305 L306 L307 L353 P355 | V267-F285 CarbonylContact C-O 3.47Å; V267-F285 WeakPolarHBondContact CA-O 3.43Å; F268-F285 PolarHBondContact N-O 3.4Å; F268-F285 PolarHBondContact O-N 3.16Å; F285-F287 AromaticContact CD1-CD1 3.65Å; F285-F287 HydrophobicContact CD1-CD1 3.65Å; F285-F287 HydrophobicContact CD1-CE1 4.26Å; F285-F287 HydrophobicContact CE1-CB 4.08Å; F285-F287 AromaticContact CE1-CD1 3.39Å; F285-F287 HydrophobicContact CE1-CD1 3.39Å; F285-F287 HydrophobicContact CE1-CE1 4.17Å; F285-F287 HydrophobicContact CE1-CG 4.13Å; F285-L305 HydrophobicContact CB-CB 4.12Å; F285-L305 HydrophobicContact CB-CD1 4.15Å; F285-L305 HydrophobicContact CD1-CB 4.04Å; F285-L305 HydrophobicContact CD1-CD1 3.73Å; F285-L305 HydrophobicContact CD1-CD2 3.79Å; F285-L305 HydrophobicContact CD1-CG 4.07Å; F285-L305 HydrophobicContact CD2-CB 4.24Å; F285-L305 HydrophobicContact CE1-CD1 4.49Å; F285-L305 HydrophobicContact CE1-CD2 3.7Å; F285-L305 HydrophobicContact CE1-CG 4.46Å; F285-L305 HydrophobicContact CG-CB 3.89Å; F285-L305 HydrophobicContact CG-CD1 4.14Å; F285-L305 HydrophobicContact CG-CD2 4.48Å; F285-L305 HydrophobicContact CG-CG 4.41Å; F285-L305 HydrophobicContact CZ-CD2 4.28Å; F285-L306 WeakPolarHBondContact CD2-O 3.36Å; F285-L307 HydrophobicContact CB-CD2 4.11Å; F285-L353 HydrophobicContact CE1-CB 4.26Å; F285-L353 VanDerWaalsContact CE2-O 3.26Å; F285-L353 WeakPolarHBondContact CE2-O 3.4Å; F285-L353 HydrophobicContact CZ-CB 3.76Å; F285-P355 HydrophobicContact CD2-CG 3.7Å; F285-P355 HydrophobicContact CE2-CB 4.32Å; F285-P355 VanDerWaalsContact CE2-CD 3.42Å; F285-P355 HydrophobicContact CE2-CG 3.63Å |
| 286 | K | 88.6 | Confident | 76.4 | Confident | 113 Ų | 113 | 70.9 Ų | 70.9 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.7 | 175 | 66.8 | -177.7 | -169.3 | 161 | 0 | 112.6 | Q265 L266 V267 | Q265-K286 VanDerWaalsContact OE1-NZ 3.14Å; L266-K286 VanDerWaalsContact O-CA 3.23Å; L266-K286 WeakPolarHBondContact O-CA 3.25Å; V267-K286 HydrophobicContact CB-CB 4.26Å; V267-K286 HydrophobicContact CG1-CB 4.25Å; V267-K286 HydrophobicContact CG2-CB 3.82Å |
| 287 | F | 87.5 | Confident | 77.6 | Confident | 14 Ų | 14 | 71 Ų | 71 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 159 | 176.8 | 63 | -88.9 | 0 | 0 | 0 | 111.1 | Q265 L266 F268 F285 I291 V292 L305 V325 | Q265-F287 WeakPolarHBondContact CA-O 3.4Å; L266-F287 HydrophobicContact CB-CE2 4.4Å; L266-F287 HydrophobicContact CB-CZ 4.33Å; L266-F287 HydrophobicContact CD2-CE1 4.34Å; L266-F287 HydrophobicContact CD2-CE2 4.34Å; L266-F287 HydrophobicContact CD2-CZ 3.77Å; L266-F287 HydrophobicContact CG-CZ 4.47Å; L266-F287 PolarHBondContact N-O 2.84Å; L266-F287 PolarHBondContact O-N 2.79Å; L266-F287 VanDerWaalsContact O-N 3.12Å; F268-F287 HydrophobicContact CD2-CE1 4.37Å; F268-F287 AromaticContact CE2-CE1 3.77Å; F268-F287 HydrophobicContact CE2-CE1 3.77Å; F268-F287 HydrophobicContact CE2-CZ 4.31Å; F285-F287 AromaticContact CD1-CD1 3.65Å; F285-F287 HydrophobicContact CD1-CD1 3.65Å; F285-F287 HydrophobicContact CD1-CE1 4.26Å; F285-F287 HydrophobicContact CE1-CB 4.08Å; F285-F287 AromaticContact CE1-CD1 3.39Å; F285-F287 HydrophobicContact CE1-CD1 3.39Å; F285-F287 HydrophobicContact CE1-CE1 4.17Å; F285-F287 HydrophobicContact CE1-CG 4.13Å; F287-I291 HydrophobicContact CB-CD1 4.04Å; F287-I291 HydrophobicContact CD2-CB 4.47Å; F287-V292 HydrophobicContact CD2-CG2 4.45Å; F287-V292 HydrophobicContact CE2-CG2 3.46Å; F287-V292 VanDerWaalsContact CE2-CG2 3.46Å; F287-V292 HydrophobicContact CZ-CG2 4.03Å; F287-L305 HydrophobicContact CE1-CD1 4.48Å; F287-L305 HydrophobicContact CE1-CD2 4.28Å; F287-V325 HydrophobicContact CZ-CG2 4.32Å |
| 288 | D | 87.2 | Confident | 79.2 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.2 | -179.4 | -56.8 | -19.2 | 0 | 0 | 0 | 110.5 | Q264 Q265 S290 I291 | Q264-D288 CarbonylContact O-C 3.58Å; Q264-D288 WeakPolarHBondContact O-CA 3.4Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.15Å; Q265-D288 PolarHBondContact NE2-OD1 3.22Å; D288-S290 PolarHBondContact O-N 2.68Å; D288-I291 WeakPolarHBondContact O-CB 3.26Å; D288-I291 PolarHBondContact O-N 2.91Å; D288-I291 VanDerWaalsContact O-N 3.1Å |
| 289 | L | 85.5 | Confident | 81 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.4 | -175 | -72.3 | 168 | 0 | 0 | 0 | 113.5 | I205 M261 L262 Q264 L266 I291 V292 Y293 I327 | I205-L289 HydrophobicContact CD1-CD1 3.48Å; I205-L289 VanDerWaalsContact CD1-CD1 3.48Å; I205-L289 HydrophobicContact CD1-CD2 3.66Å; I205-L289 HydrophobicContact CD1-CG 4.21Å; I205-L289 HydrophobicContact CG1-CD2 4.28Å; I205-L289 HydrophobicContact CG2-CD2 4.19Å; M261-L289 HydrophobicContact CG-CD1 4.35Å; M261-L289 HydrophobicContact SD-CB 4.04Å; M261-L289 HydrophobicContact SD-CD1 3.6Å; M261-L289 HydrophobicContact SD-CG 4.44Å; L262-L289 HydrophobicContact CD2-CB 4.43Å; Q264-L289 HydrophobicContact CB-CD1 4.17Å; Q264-L289 PolarHBondContact O-N 3.47Å; L266-L289 HydrophobicContact CB-CD2 3.99Å; L289-I291 PolarHBondContact O-N 3.13Å; L289-I291 VanDerWaalsContact O-N 3.1Å; L289-V292 PolarHBondContact O-N 2.65Å; L289-Y293 PolarHBondContact O-N 2.88Å; L289-I327 HydrophobicContact CB-CD1 3.93Å; L289-I327 HydrophobicContact CD2-CD1 3.88Å; L289-I327 HydrophobicContact CG-CD1 4.49Å; L289-I327 VanDerWaalsContact O-CD1 3.23Å; L289-I327 WeakPolarHBondContact O-CD1 3.42Å |
| 290 | S | 83.1 | Confident | 82.7 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -44 | -40 | 169.2 | 40.2 | 0 | 0 | 0 | 0 | 113.3 | L262 D288 V292 Y293 E294 | L262-S290 VanDerWaalsContact O-CB 3.31Å; L262-S290 WeakPolarHBondContact O-CB 3.25Å; L262-S290 PolarHBondContact O-N 3.49Å; L262-S290 PolarHBondContact O-OG 2.81Å; D288-S290 PolarHBondContact O-N 2.68Å; S290-V292 VanDerWaalsContact C-N 3.33Å; S290-V292 PolarHBondContact O-N 2.78Å; S290-Y293 PolarHBondContact O-N 3.33Å; S290-E294 WeakPolarHBondContact O-CG 3.36Å; S290-E294 PolarHBondContact O-N 2.86Å |
| 291 | I | 83.7 | Confident | 83.2 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 38% | 0.379 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.7 | -38.2 | -176.7 | -64.5 | 164.2 | 0 | 0 | 0 | 111.9 | F287 D288 L289 C295 M300 | F287-I291 HydrophobicContact CB-CD1 4.04Å; F287-I291 HydrophobicContact CD2-CB 4.47Å; D288-I291 WeakPolarHBondContact O-CB 3.26Å; D288-I291 PolarHBondContact O-N 2.91Å; D288-I291 VanDerWaalsContact O-N 3.1Å; L289-I291 PolarHBondContact O-N 3.13Å; L289-I291 VanDerWaalsContact O-N 3.1Å; I291-C295 PolarHBondContact O-SG 3.36Å; I291-M300 HydrophobicContact CG2-CE 4.01Å |
| 292 | V | 82.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.5 | -37.8 | 178 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | F287 L289 S290 E294 C295 H298 M300 V325 I327 | F287-V292 HydrophobicContact CD2-CG2 4.45Å; F287-V292 HydrophobicContact CE2-CG2 3.46Å; F287-V292 VanDerWaalsContact CE2-CG2 3.46Å; F287-V292 HydrophobicContact CZ-CG2 4.03Å; L289-V292 PolarHBondContact O-N 2.65Å; S290-V292 VanDerWaalsContact C-N 3.33Å; S290-V292 PolarHBondContact O-N 2.78Å; V292-E294 VanDerWaalsContact C-N 3.29Å; V292-E294 PolarHBondContact O-N 2.87Å; V292-C295 WeakPolarHBondContact O-CB 3.2Å; V292-C295 PolarHBondContact O-N 3.28Å; V292-C295 VanDerWaalsContact O-N 3.14Å; V292-H298 WeakPolarHBondContact CG1-O 3.3Å; V292-H298 CarbonylContact O-C 3.37Å; V292-H298 WeakPolarHBondContact O-CA 3.36Å; V292-M300 HydrophobicContact CG1-CB 4.07Å; V292-M300 HydrophobicContact CG2-CB 4.22Å; V292-M300 HydrophobicContact CG2-CE 3.66Å; V292-M300 HydrophobicContact CG2-SD 4.02Å; V292-V325 HydrophobicContact CG1-CB 4.22Å; V292-V325 HydrophobicContact CG1-CG1 4.06Å; V292-V325 HydrophobicContact CG2-CB 4.12Å; V292-V325 HydrophobicContact CG2-CG1 4.06Å; V292-I327 HydrophobicContact CB-CD1 3.72Å; V292-I327 HydrophobicContact CB-CG1 3.96Å; V292-I327 HydrophobicContact CG1-CD1 4.05Å; V292-I327 HydrophobicContact CG1-CG1 3.69Å |
| 293 | Y | 81.2 | Confident | 83.4 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -29.9 | 178.9 | -160.3 | -103.8 | 0 | 0 | 0 | 112.5 | F203 L262 L289 S290 C295 H298 I327 | F203-Y293 HydrophobicContact CD1-CE2 4.09Å; F203-Y293 AromaticContact CE1-CE2 3.73Å; F203-Y293 HydrophobicContact CE1-CE2 3.73Å; F203-Y293 AromaticContact CE1-CZ 3.94Å; L262-Y293 HydrophobicContact CD1-CD1 3.68Å; L262-Y293 HydrophobicContact CD1-CE1 4.26Å; L262-Y293 HydrophobicContact CD1-CG 4.11Å; L262-Y293 VanDerWaalsContact CD2-CB 3.43Å; L262-Y293 HydrophobicContact CD2-CD1 4.14Å; L262-Y293 HydrophobicContact CD2-CD2 4.21Å; L262-Y293 HydrophobicContact CD2-CG 3.67Å; L289-Y293 PolarHBondContact O-N 2.88Å; S290-Y293 PolarHBondContact O-N 3.33Å; Y293-C295 VanDerWaalsContact C-N 3.28Å; Y293-C295 PolarHBondContact O-N 3.05Å; Y293-H298 AromaticContact CD1-ND1 3.99Å; Y293-H298 HydrophobicContact CD2-CB 4.1Å; Y293-H298 AromaticContact CD2-CG 3.86Å; Y293-H298 AromaticContact CD2-ND1 3.6Å; Y293-H298 AromaticContact CE1-CE1 3.9Å; Y293-H298 HydrophobicContact CE2-CB 4.41Å; Y293-H298 AromaticContact CE2-CE1 3.93Å; Y293-H298 AromaticContact CE2-CG 3.83Å; Y293-H298 AromaticContact CE2-ND1 3.67Å; Y293-H298 AromaticContact CG-ND1 3.76Å; Y293-H298 AromaticContact CZ-CE1 3.74Å; Y293-H298 AromaticContact CZ-ND1 3.91Å; Y293-H298 PolarHBondContact O-CE1 2.78Å; Y293-H298 PolarHBondContact O-ND1 2.84Å; Y293-I327 HydrophobicContact CD2-CB 4.11Å; Y293-I327 HydrophobicContact CD2-CG2 3.72Å; Y293-I327 HydrophobicContact CE2-CG2 4.3Å |
| 294 | E | 81.7 | Confident | 83.4 | Confident | 120 Ų | 120 | 49.8 Ų | 49.8 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.8 | 174.7 | -71.2 | 173.8 | -161.9 | 0 | 0 | 113.7 | Y196 S290 V292 | Y196-E294 WeakPolarHBondContact OH-CG 3.47Å; Y196-E294 PolarHBondContact OH-OE1 2.88Å; S290-E294 WeakPolarHBondContact O-CG 3.36Å; S290-E294 PolarHBondContact O-N 2.86Å; V292-E294 VanDerWaalsContact C-N 3.29Å; V292-E294 PolarHBondContact O-N 2.87Å |
| 295 | C | 80.7 | Confident | 83.5 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -75.6 | 158.1 | 176.7 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | I291 V292 Y293 R297 H298 A299 | I291-C295 PolarHBondContact O-SG 3.36Å; V292-C295 WeakPolarHBondContact O-CB 3.2Å; V292-C295 PolarHBondContact O-N 3.28Å; V292-C295 VanDerWaalsContact O-N 3.14Å; Y293-C295 VanDerWaalsContact C-N 3.28Å; Y293-C295 PolarHBondContact O-N 3.05Å; C295-R297 PolarHBondContact O-N 2.84Å; C295-H298 WeakPolarHBondContact O-CA 3.49Å; C295-H298 PolarHBondContact O-N 3.43Å; C295-A299 WeakPolarHBondContact CB-O 3.45Å |
| 296 | D | 75.6 | Confident | 83.3 | Confident | 153 Ų | 153 | 49.1 Ų | 49.1 | 82% | 0.818 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -52.9 | 130.2 | 174.5 | -90.1 | -9.7 | 0 | 0 | 0 | 111.4 | H298 A299 | D296-H298 PolarHBondContact O-N 2.84Å; D296-A299 PolarHBondContact O-N 3.42Å |
| 297 | R | 74.6 | Confident | 83.1 | Confident | 190 Ų | 190 | 43.8 Ų | 43.8 | 72% | 0.717 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | 55.9 | 25.3 | -175.1 | -52.1 | -176.5 | 178 | -165.3 | -4.1 | 114.1 | C295 A299 | C295-R297 PolarHBondContact O-N 2.84Å; R297-A299 HydrophobicContact CB-CB 4.46Å; R297-A299 PolarHBondContact O-N 2.96Å; R297-A299 VanDerWaalsContact O-N 3.08Å |
| 298 | H | 83.4 | Confident | 82.8 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 20% | 0.199 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | 54.8 | 30.3 | -178.1 | -50.4 | -58.3 | 0 | 0 | 0 | 112.3 | V292 Y293 C295 D296 I327 D332 | V292-H298 WeakPolarHBondContact CG1-O 3.3Å; V292-H298 CarbonylContact O-C 3.37Å; V292-H298 WeakPolarHBondContact O-CA 3.36Å; Y293-H298 AromaticContact CD1-ND1 3.99Å; Y293-H298 HydrophobicContact CD2-CB 4.1Å; Y293-H298 AromaticContact CD2-CG 3.86Å; Y293-H298 AromaticContact CD2-ND1 3.6Å; Y293-H298 AromaticContact CE1-CE1 3.9Å; Y293-H298 HydrophobicContact CE2-CB 4.41Å; Y293-H298 AromaticContact CE2-CE1 3.93Å; Y293-H298 AromaticContact CE2-CG 3.83Å; Y293-H298 AromaticContact CE2-ND1 3.67Å; Y293-H298 AromaticContact CG-ND1 3.76Å; Y293-H298 AromaticContact CZ-CE1 3.74Å; Y293-H298 AromaticContact CZ-ND1 3.91Å; Y293-H298 PolarHBondContact O-CE1 2.78Å; Y293-H298 PolarHBondContact O-ND1 2.84Å; C295-H298 WeakPolarHBondContact O-CA 3.49Å; C295-H298 PolarHBondContact O-N 3.43Å; D296-H298 PolarHBondContact O-N 2.84Å; H298-I327 WeakPolarHBondContact CB-O 3.16Å; H298-I327 PolarHBondContact O-N 3.39Å; H298-D332 IonicContact CD2-OD1 2.79Å; H298-D332 IonicContact CD2-OD2 3.53Å; H298-D332 PolarHBondContact CD2-OD2 3.2Å; H298-D332 IonicContact NE2-OD1 3.56Å; H298-D332 IonicContact NE2-OD2 2.79Å |
| 299 | A | 83.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C295 D296 R297 V326 P335 | C295-A299 WeakPolarHBondContact CB-O 3.45Å; D296-A299 PolarHBondContact O-N 3.42Å; R297-A299 HydrophobicContact CB-CB 4.46Å; R297-A299 PolarHBondContact O-N 2.96Å; R297-A299 VanDerWaalsContact O-N 3.08Å; A299-V326 HydrophobicContact CB-CB 4.47Å; A299-V326 HydrophobicContact CB-CG1 4.2Å; A299-V326 HydrophobicContact CB-CG2 3.99Å; A299-P335 HydrophobicContact CB-CG 3.66Å |
| 300 | M | 84.4 | Confident | 81.8 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 91.2 | -178.6 | -178 | -175.3 | -77.3 | 0 | 0 | 108.2 | I291 V292 K303 S324 V325 L353 | I291-M300 HydrophobicContact CG2-CE 4.01Å; V292-M300 HydrophobicContact CG1-CB 4.07Å; V292-M300 HydrophobicContact CG2-CB 4.22Å; V292-M300 HydrophobicContact CG2-CE 3.66Å; V292-M300 HydrophobicContact CG2-SD 4.02Å; M300-K303 HydrophobicContact CG-CB 3.82Å; M300-K303 HydrophobicContact CG-CG 3.22Å; M300-K303 HydrophobicContact SD-CB 4.13Å; M300-K303 HydrophobicContact SD-CG 4.02Å; M300-S324 CarbonylContact O-C 3.5Å; M300-S324 WeakPolarHBondContact O-CA 3.34Å; M300-V325 WeakPolarHBondContact CA-O 3.2Å; M300-V325 HydrophobicContact CB-CB 4.43Å; M300-V325 PolarHBondContact N-O 3.16Å; M300-V325 PolarHBondContact O-N 2.88Å; M300-L353 HydrophobicContact CE-CD1 3.54Å; M300-L353 HydrophobicContact SD-CD1 3.32Å; M300-L353 WeakPolarHBondContact SD-CD1 3.44Å |
| 301 | L | 81.7 | Confident | 81.4 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139.1 | -174.4 | -56.4 | 178.5 | 0 | 0 | 0 | 111.4 | K303 V326 M337 | L301-K303 PolarHBondContact O-N 3.48Å; L301-K303 VanDerWaalsContact O-N 3.15Å; L301-V326 HydrophobicContact CD2-CG2 4.12Å; L301-M337 HydrophobicContact CD2-CG 4.11Å |
| 302 | N | 78.9 | Confident | 80.7 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 32.7 | 174.1 | -63.2 | -39.5 | 0 | 0 | 0 | 114.6 | I210 K322 I323 S324 K338 | I210-N302 WeakPolarHBondContact CD1-OD1 3.17Å; N302-K322 WeakPolarHBondContact O-CE 3.49Å; N302-I323 CarbonylContact C-O 3.55Å; N302-I323 VanDerWaalsContact CA-O 3.3Å; N302-I323 WeakPolarHBondContact CA-O 3.21Å; N302-I323 PolarHBondContact N-O 2.92Å; N302-S324 PolarHBondContact N-OG 3.2Å; N302-K338 PolarHBondContact ND2-O 2.75Å |
| 303 | K | 84.9 | Confident | 79.8 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 148.6 | 177.6 | -67.3 | -57.3 | -174.8 | 171.2 | 0 | 111.3 | M300 L301 I323 N351 L353 | M300-K303 HydrophobicContact CG-CB 3.82Å; M300-K303 HydrophobicContact CG-CG 3.22Å; M300-K303 HydrophobicContact SD-CB 4.13Å; M300-K303 HydrophobicContact SD-CG 4.02Å; L301-K303 PolarHBondContact O-N 3.48Å; L301-K303 VanDerWaalsContact O-N 3.15Å; K303-I323 PolarHBondContact N-O 2.81Å; K303-I323 PolarHBondContact O-N 3.31Å; K303-N351 HydrophobicContact CD-CB 4.33Å; K303-N351 PolarHBondContact NZ-OD1 3.12Å; K303-L353 HydrophobicContact CB-CD1 4.36Å |
| 304 | W | 86 | Confident | 79 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 142.7 | 176.8 | -73.9 | 96.4 | 0 | 0 | 0 | 111.1 | E211 R213 L321 K322 N351 L352 L353 M439 | E211-W304 HydrophobicContact CG-CH2 3.83Å; E211-W304 HydrophobicContact CG-CZ2 4.45Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.38Å; E211-W304 WeakPolarHBondContact OE1-CZ2 3.25Å; R213-W304 HydrophobicContact CB-CH2 4.32Å; R213-W304 HydrophobicContact CB-CZ3 4.26Å; R213-W304 HydrophobicContact CG-CH2 3.64Å; R213-W304 HydrophobicContact CG-CZ3 4.06Å; R213-W304 VanDerWaalsContact NE-CH2 3.33Å; W304-L321 CarbonylContact C-O 3.57Å; W304-L321 WeakPolarHBondContact CA-O 3.33Å; W304-K322 HydrophobicContact CD2-CB 3.77Å; W304-K322 HydrophobicContact CD2-CD 4.48Å; W304-K322 HydrophobicContact CD2-CG 3.96Å; W304-K322 HydrophobicContact CE3-CB 3.73Å; W304-K322 HydrophobicContact CE3-CG 4.44Å; W304-K322 HydrophobicContact CG-CG 4.35Å; W304-K322 HydrophobicContact CH2-CB 3.7Å; W304-K322 HydrophobicContact CH2-CD 4.34Å; W304-K322 HydrophobicContact CH2-CG 4.4Å; W304-K322 HydrophobicContact CZ2-CB 3.78Å; W304-K322 HydrophobicContact CZ2-CD 3.64Å; W304-K322 HydrophobicContact CZ2-CG 3.96Å; W304-K322 HydrophobicContact CZ3-CB 3.7Å; W304-N351 PolarHBondContact N-O 3.26Å; W304-N351 VanDerWaalsContact N-O 3.16Å; W304-L352 HydrophobicContact CB-CD1 3.89Å; W304-L353 PolarHBondContact O-N 2.92Å; W304-M439 HydrophobicContact CB-CE 3.14Å; W304-M439 HydrophobicContact CB-SD 3.68Å; W304-M439 HydrophobicContact CD2-CE 3.58Å; W304-M439 HydrophobicContact CD2-SD 3.75Å; W304-M439 HydrophobicContact CE3-CE 4.26Å; W304-M439 HydrophobicContact CE3-SD 3.8Å; W304-M439 HydrophobicContact CG-CE 3.06Å; W304-M439 HydrophobicContact CG-SD 3.75Å |
| 305 | L | 88.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.2 | 175.5 | -53.7 | -172.7 | 0 | 0 | 0 | 110.6 | F268 F285 F287 Y320 L321 I323 L353 | F268-L305 HydrophobicContact CB-CD1 4.17Å; F268-L305 HydrophobicContact CD1-CD1 4.32Å; F268-L305 HydrophobicContact CD2-CD1 3.35Å; F268-L305 HydrophobicContact CE2-CD1 3.73Å; F268-L305 HydrophobicContact CG-CD1 3.69Å; F268-L305 HydrophobicContact CZ-CD1 4.35Å; F285-L305 HydrophobicContact CB-CB 4.12Å; F285-L305 HydrophobicContact CB-CD1 4.15Å; F285-L305 HydrophobicContact CD1-CB 4.04Å; F285-L305 HydrophobicContact CD1-CD1 3.73Å; F285-L305 HydrophobicContact CD1-CD2 3.79Å; F285-L305 HydrophobicContact CD1-CG 4.07Å; F285-L305 HydrophobicContact CD2-CB 4.24Å; F285-L305 HydrophobicContact CE1-CD1 4.49Å; F285-L305 HydrophobicContact CE1-CD2 3.7Å; F285-L305 HydrophobicContact CE1-CG 4.46Å; F285-L305 HydrophobicContact CG-CB 3.89Å; F285-L305 HydrophobicContact CG-CD1 4.14Å; F285-L305 HydrophobicContact CG-CD2 4.48Å; F285-L305 HydrophobicContact CG-CG 4.41Å; F285-L305 HydrophobicContact CZ-CD2 4.28Å; F287-L305 HydrophobicContact CE1-CD1 4.48Å; F287-L305 HydrophobicContact CE1-CD2 4.28Å; L305-Y320 WeakPolarHBondContact O-CA 3.16Å; L305-L321 HydrophobicContact CB-CB 4.39Å; L305-L321 PolarHBondContact N-O 3.35Å; L305-L321 PolarHBondContact O-N 2.81Å; L305-I323 HydrophobicContact CD1-CD1 3.51Å; L305-I323 HydrophobicContact CD1-CG1 4.16Å; L305-I323 HydrophobicContact CD1-CG2 4.32Å; L305-I323 HydrophobicContact CD2-CD1 3.91Å; L305-I323 HydrophobicContact CD2-CG1 4.24Å; L305-I323 HydrophobicContact CG-CD1 3.8Å; L305-I323 HydrophobicContact CG-CG1 3.99Å; L305-L353 HydrophobicContact CD2-CB 3.96Å; L305-L353 HydrophobicContact CD2-CD1 3.82Å; L305-L353 HydrophobicContact CD2-CG 4.42Å |
| 306 | L | 86 | Confident | 77.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 97.8 | 173.9 | 175.4 | 65.4 | 0 | 0 | 0 | 111.4 | F285 A317 Y320 L352 L353 R354 V358 L360 | F285-L306 WeakPolarHBondContact CD2-O 3.36Å; L306-A317 HydrophobicContact CD1-CB 3.56Å; L306-Y320 HydrophobicContact CB-CE1 4.27Å; L306-Y320 HydrophobicContact CD1-CD1 4.1Å; L306-Y320 HydrophobicContact CD1-CE1 3.32Å; L306-Y320 HydrophobicContact CG-CE1 4.4Å; L306-L352 HydrophobicContact CB-CD1 4.14Å; L306-L353 PolarHBondContact N-O 3.24Å; L306-R354 HydrophobicContact CD2-CG 4.17Å; L306-V358 HydrophobicContact CD2-CG1 3.97Å; L306-L360 HydrophobicContact CD1-CD2 3.81Å; L306-L360 HydrophobicContact CD2-CD2 3.63Å; L306-L360 HydrophobicContact CD2-CG 3.9Å; L306-L360 HydrophobicContact CG-CD2 4.41Å |
| 307 | L | 85.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 141 | 179.9 | -56.2 | 173.8 | 0 | 0 | 0 | 111.2 | L215 V270 F285 A317 K318 G319 L321 | L215-L307 HydrophobicContact CD2-CD1 3.7Å; V270-L307 HydrophobicContact CB-CD1 4.19Å; V270-L307 HydrophobicContact CG2-CD1 3.63Å; V270-L307 HydrophobicContact CG2-CD2 4.39Å; F285-L307 HydrophobicContact CB-CD2 4.11Å; L307-A317 CarbonylContact O-C 3.53Å; L307-K318 HydrophobicContact CB-CB 4.12Å; L307-K318 PolarHBondContact O-N 2.95Å; L307-G319 WeakPolarHBondContact CB-O 3.23Å; L307-G319 PolarHBondContact N-O 3.17Å; L307-L321 HydrophobicContact CD2-CB 4.32Å; L307-L321 HydrophobicContact CG-CB 4.49Å |
| 308 | C | 80.5 | Confident | 77.6 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 8% | 0.081 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 165.5 | 174.4 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | S284 P310 V358 | S284-C308 PolarHBondContact N-O 3.08Å; S284-C308 PolarHBondContact O-N 3.09Å; S284-C308 VanDerWaalsContact O-O 3.06Å; S284-C308 PolarHBondContact O-SG 3.05Å; S284-C308 VanDerWaalsContact O-SG 3.37Å; C308-P310 WeakPolarHBondContact O-CD 3.47Å; C308-V358 HydrophobicContact CB-CG2 4.39Å |
| 309 | N | 79.6 | Confident | 77.4 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | trans | -75.2 | 120.1 | 167.6 | -173.6 | -14.4 | 0 | 0 | 0 | 108.9 | E311 D312 S315 | N309-E311 VanDerWaalsContact C-N 3.26Å; N309-E311 PolarHBondContact O-N 3.16Å; N309-E311 PolarHBondContact OD1-N 3.14Å; N309-D312 CarbonylContact O-C 3.4Å; N309-D312 PolarHBondContact O-N 2.86Å; N309-S315 VanDerWaalsContact CB-OG 3.27Å; N309-S315 WeakPolarHBondContact CB-OG 3.36Å | ||
| 310 | P | 72.7 | Confident | 77.5 | Confident | 71 Ų | 71 | 37.6 Ų | 37.6 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -65.7 | -26.8 | 179.7 | 27 | -34.5 | 0 | 0 | 0 | 113.5 | L281 C308 | L281-P310 HydrophobicContact CD2-CG 3.91Å; C308-P310 WeakPolarHBondContact O-CD 3.47Å |
| 311 | E | 74 | Confident | 77.7 | Confident | 180 Ų | 180 | 37.3 Ų | 37.3 | 84% | 0.841 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -81 | -24.5 | 177.6 | -62 | -173.3 | 166.1 | 0 | 0 | 112.4 | N309 | N309-E311 VanDerWaalsContact C-N 3.26Å; N309-E311 PolarHBondContact O-N 3.16Å; N309-E311 PolarHBondContact OD1-N 3.14Å |
| 312 | D | 70.3 | Confident | 78.1 | Confident | 57 Ų | 57 | 34.9 Ų | 34.9 | 31% | 0.305 | 19% | 0.188 | S | C | . | . | trans | -141.7 | 83.9 | 178 | -175.5 | 7.3 | 0 | 0 | 0 | 111.2 | N309 M314 S315 | N309-D312 CarbonylContact O-C 3.4Å; N309-D312 PolarHBondContact O-N 2.86Å; D312-M314 PolarHBondContact O-N 2.85Å; D312-M314 VanDerWaalsContact O-N 3.15Å; D312-M314 WeakPolarHBondContact OD1-CB 3.39Å; D312-M314 PolarHBondContact OD1-N 2.77Å; D312-M314 VanDerWaalsContact OD1-N 3.1Å; D312-S315 VanDerWaalsContact O-CB 3.24Å; D312-S315 WeakPolarHBondContact O-CB 3.35Å; D312-S315 PolarHBondContact O-N 3Å; D312-S315 PolarHBondContact O-OG 2.89Å; D312-S315 PolarHBondContact OD1-N 3.29Å | ||
| 313 | P | 61.8 | Low | 78.7 | Confident | 60 Ų | 60 | 33.8 Ų | 33.8 | 39% | 0.39 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -61 | -21.9 | 176.5 | -21.6 | 32.5 | 0 | 0 | 0 | 113.2 | S315 V358 | P313-S315 VanDerWaalsContact C-N 3.27Å; P313-V358 HydrophobicContact CB-CG2 3.94Å |
| 314 | M | 65.1 | Low | 78.9 | Confident | 135 Ų | 135 | 31.2 Ų | 31.2 | 67% | 0.665 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -79.3 | -11.5 | 178.2 | -57.7 | -56.8 | -60.7 | 0 | 0 | 112.4 | D312 G316 | D312-M314 PolarHBondContact O-N 2.85Å; D312-M314 VanDerWaalsContact O-N 3.15Å; D312-M314 WeakPolarHBondContact OD1-CB 3.39Å; D312-M314 PolarHBondContact OD1-N 2.77Å; D312-M314 VanDerWaalsContact OD1-N 3.1Å; M314-G316 PolarHBondContact O-N 3.44Å |
| 315 | S | 65.6 | Low | 79.1 | Confident | 15 Ų | 15 | 31 Ų | 31 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -67.8 | -7.4 | 171.4 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | N309 D312 P313 K318 | N309-S315 VanDerWaalsContact CB-OG 3.27Å; N309-S315 WeakPolarHBondContact CB-OG 3.36Å; D312-S315 VanDerWaalsContact O-CB 3.24Å; D312-S315 WeakPolarHBondContact O-CB 3.35Å; D312-S315 PolarHBondContact O-N 3Å; D312-S315 PolarHBondContact O-OG 2.89Å; D312-S315 PolarHBondContact OD1-N 3.29Å; P313-S315 VanDerWaalsContact C-N 3.27Å; S315-K318 WeakPolarHBondContact OG-CE 3.46Å |
| 316 | G | 65.4 | Low | 78.9 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | trans | 79 | -162.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | M314 | M314-G316 PolarHBondContact O-N 3.44Š| ||
| 317 | A | 74.7 | Confident | 78.9 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 21% | 0.207 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L306 L307 L360 P437 | L306-A317 HydrophobicContact CD1-CB 3.56Å; L307-A317 CarbonylContact O-C 3.53Å; A317-L360 HydrophobicContact CB-CD2 4.41Å; A317-P437 VanDerWaalsContact CB-CD 3.48Å; A317-P437 HydrophobicContact CB-CG 3.46Å; A317-P437 VanDerWaalsContact CB-CG 3.46Å |
| 318 | K | 77.5 | Confident | 78.5 | Confident | 28 Ų | 28 | 31.9 Ų | 31.9 | 12% | 0.122 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -1.5 | -179.9 | -60.2 | -56.7 | -176.2 | -164.7 | 0 | 114.2 | Q216 I282 L307 S315 | Q216-K318 PolarHBondContact N-O 2.8Å; I282-K318 VanDerWaalsContact O-CB 3.29Å; I282-K318 WeakPolarHBondContact O-CB 3.38Å; I282-K318 WeakPolarHBondContact O-CG 3.45Å; L307-K318 HydrophobicContact CB-CB 4.12Å; L307-K318 PolarHBondContact O-N 2.95Å; S315-K318 WeakPolarHBondContact OG-CE 3.46Å |
| 319 | G | 79.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.2 | -175.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q214 L307 | Q214-G319 WeakPolarHBondContact O-CA 3.35Å; L307-G319 WeakPolarHBondContact CB-O 3.23Å; L307-G319 PolarHBondContact N-O 3.17Å |
| 320 | Y | 85.4 | Confident | 77.3 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.7 | -171.5 | -65.3 | -69.6 | 0 | 0 | 0 | 111.8 | A212 R213 Q214 L305 L306 L352 P437 M439 | A212-Y320 CarbonylContact C-O 3.6Å; A212-Y320 WeakPolarHBondContact CA-O 3.45Å; A212-Y320 WeakPolarHBondContact CB-O 3.47Å; R213-Y320 PolarHBondContact N-O 2.96Å; R213-Y320 PolarHBondContact O-N 3.26Å; Q214-Y320 HydrophobicContact CB-CD2 4.32Å; L305-Y320 WeakPolarHBondContact O-CA 3.16Å; L306-Y320 HydrophobicContact CB-CE1 4.27Å; L306-Y320 HydrophobicContact CD1-CD1 4.1Å; L306-Y320 HydrophobicContact CD1-CE1 3.32Å; L306-Y320 HydrophobicContact CG-CE1 4.4Å; Y320-L352 HydrophobicContact CD1-CD1 3.97Å; Y320-L352 HydrophobicContact CE1-CD1 3.94Å; Y320-L352 HydrophobicContact CE1-CD2 4.08Å; Y320-P437 HydrophobicContact CE2-CB 4.37Å; Y320-P437 HydrophobicContact CE2-CG 4.14Å; Y320-P437 PolarHBondContact OH-O 3.41Å; Y320-M439 VanDerWaalsContact CB-SD 3.6Å; Y320-M439 HydrophobicContact CD1-CG 3.42Å; Y320-M439 VanDerWaalsContact CD1-CG 3.42Å; Y320-M439 HydrophobicContact CD1-SD 3.03Å; Y320-M439 WeakPolarHBondContact CD1-SD 3.2Å; Y320-M439 HydrophobicContact CD2-CG 3.83Å; Y320-M439 HydrophobicContact CD2-SD 4Å; Y320-M439 HydrophobicContact CE1-CG 3.27Å; Y320-M439 HydrophobicContact CE1-SD 3.55Å; Y320-M439 VanDerWaalsContact CE1-SD 3.55Å; Y320-M439 HydrophobicContact CE2-CG 3.74Å; Y320-M439 HydrophobicContact CE2-SD 4.45Å; Y320-M439 HydrophobicContact CG-CG 3.66Å; Y320-M439 HydrophobicContact CG-SD 3.26Å; Y320-M439 VanDerWaalsContact CZ-CG 3.46Å |
| 321 | L | 89.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.4 | 179 | -172 | 70.6 | 0 | 0 | 0 | 110.3 | V209 A212 W246 F268 W304 L305 L307 I323 | V209-L321 HydrophobicContact CG1-CD1 3.81Å; V209-L321 HydrophobicContact CG1-CG 4.46Å; A212-L321 HydrophobicContact CB-CD1 3.9Å; W246-L321 HydrophobicContact CZ3-CD1 3.82Å; F268-L321 HydrophobicContact CB-CD2 3.89Å; F268-L321 HydrophobicContact CD1-CD2 3.74Å; F268-L321 HydrophobicContact CG-CD2 4.08Å; W304-L321 CarbonylContact C-O 3.57Å; W304-L321 WeakPolarHBondContact CA-O 3.33Å; L305-L321 HydrophobicContact CB-CB 4.39Å; L305-L321 PolarHBondContact N-O 3.35Å; L305-L321 PolarHBondContact O-N 2.81Å; L307-L321 HydrophobicContact CD2-CB 4.32Å; L307-L321 HydrophobicContact CG-CB 4.49Å; L321-I323 HydrophobicContact CD2-CG2 3.79Å; L321-I323 HydrophobicContact CG-CG2 3.77Å |
| 322 | K | 89.7 | Confident | 76.4 | Confident | 11 Ų | 11 | 25.2 Ų | 25.2 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.5 | 174.2 | -159.5 | 176.7 | -167.4 | 165.4 | 0 | 109.4 | I210 E211 N302 W304 E346 | I210-K322 HydrophobicContact CB-CB 4.33Å; I210-K322 HydrophobicContact CD1-CD 4.42Å; I210-K322 HydrophobicContact CD1-CG 4.27Å; I210-K322 PolarHBondContact N-O 2.81Å; E211-K322 HydrophobicContact CG-CB 3.92Å; E211-K322 HydrophobicContact CG-CD 4.42Å; E211-K322 PolarHBondContact O-N 2.83Å; N302-K322 WeakPolarHBondContact O-CE 3.49Å; W304-K322 HydrophobicContact CD2-CB 3.77Å; W304-K322 HydrophobicContact CD2-CD 4.48Å; W304-K322 HydrophobicContact CD2-CG 3.96Å; W304-K322 HydrophobicContact CE3-CB 3.73Å; W304-K322 HydrophobicContact CE3-CG 4.44Å; W304-K322 HydrophobicContact CG-CG 4.35Å; W304-K322 HydrophobicContact CH2-CB 3.7Å; W304-K322 HydrophobicContact CH2-CD 4.34Å; W304-K322 HydrophobicContact CH2-CG 4.4Å; W304-K322 HydrophobicContact CZ2-CB 3.78Å; W304-K322 HydrophobicContact CZ2-CD 3.64Å; W304-K322 HydrophobicContact CZ2-CG 3.96Å; W304-K322 HydrophobicContact CZ3-CB 3.7Å; K322-E346 IonicContact NZ-OE2 3.71Å; K322-E346 PolarHBondContact NZ-OE2 2.84Å |
| 323 | I | 90.9 | Very high | 75.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 169.4 | -178.5 | 69 | 164.8 | 0 | 0 | 0 | 112.2 | K208 V209 F268 N302 K303 L305 L321 V325 | K208-I323 CarbonylContact O-C 3.47Å; K208-I323 WeakPolarHBondContact O-CA 3.17Å; K208-I323 WeakPolarHBondContact O-CB 2.98Å; V209-I323 HydrophobicContact CG2-CG2 4.45Å; F268-I323 HydrophobicContact CD1-CG2 4.21Å; F268-I323 HydrophobicContact CD2-CD1 4.49Å; F268-I323 HydrophobicContact CE1-CB 4.47Å; F268-I323 HydrophobicContact CE1-CD1 3.92Å; F268-I323 HydrophobicContact CE1-CG2 3.85Å; F268-I323 HydrophobicContact CE2-CD1 3.67Å; F268-I323 HydrophobicContact CZ-CD1 3.33Å; F268-I323 HydrophobicContact CZ-CG2 4.38Å; N302-I323 CarbonylContact C-O 3.55Å; N302-I323 VanDerWaalsContact CA-O 3.3Å; N302-I323 WeakPolarHBondContact CA-O 3.21Å; N302-I323 PolarHBondContact N-O 2.92Å; K303-I323 PolarHBondContact N-O 2.81Å; K303-I323 PolarHBondContact O-N 3.31Å; L305-I323 HydrophobicContact CD1-CD1 3.51Å; L305-I323 HydrophobicContact CD1-CG1 4.16Å; L305-I323 HydrophobicContact CD1-CG2 4.32Å; L305-I323 HydrophobicContact CD2-CD1 3.91Å; L305-I323 HydrophobicContact CD2-CG1 4.24Å; L305-I323 HydrophobicContact CG-CD1 3.8Å; L305-I323 HydrophobicContact CG-CG1 3.99Å; L321-I323 HydrophobicContact CD2-CG2 3.79Å; L321-I323 HydrophobicContact CG-CG2 3.77Å; I323-V325 HydrophobicContact CD1-CG2 3.53Å; I323-V325 HydrophobicContact CG1-CG2 4.38Å |
| 324 | S | 89.7 | Confident | 75.8 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 130.8 | 160.9 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | V207 K208 M300 N302 | V207-S324 CarbonylContact C-O 3.33Å; V207-S324 WeakPolarHBondContact CA-O 3.49Å; K208-S324 PolarHBondContact N-O 2.81Å; K208-S324 PolarHBondContact O-N 3.13Å; M300-S324 CarbonylContact O-C 3.5Å; M300-S324 WeakPolarHBondContact O-CA 3.34Å; N302-S324 PolarHBondContact N-OG 3.2Å |
| 325 | V | 89.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.6 | 178 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | I205 R206 V207 L266 F268 F287 V292 M300 I323 | I205-V325 HydrophobicContact CG2-CG1 3.87Å; R206-V325 CarbonylContact O-C 3.54Å; R206-V325 WeakPolarHBondContact O-CA 3.32Å; V207-V325 HydrophobicContact CG1-CG2 4.49Å; V207-V325 HydrophobicContact CG2-CG1 4.2Å; V207-V325 HydrophobicContact CG2-CG2 4.34Å; L266-V325 HydrophobicContact CD2-CG1 3.97Å; L266-V325 HydrophobicContact CD2-CG2 3.94Å; F268-V325 HydrophobicContact CZ-CG2 4.3Å; F287-V325 HydrophobicContact CZ-CG2 4.32Å; V292-V325 HydrophobicContact CG1-CB 4.22Å; V292-V325 HydrophobicContact CG1-CG1 4.06Å; V292-V325 HydrophobicContact CG2-CB 4.12Å; V292-V325 HydrophobicContact CG2-CG1 4.06Å; M300-V325 WeakPolarHBondContact CA-O 3.2Å; M300-V325 HydrophobicContact CB-CB 4.43Å; M300-V325 PolarHBondContact N-O 3.16Å; M300-V325 PolarHBondContact O-N 2.88Å; I323-V325 HydrophobicContact CD1-CG2 3.53Å; I323-V325 HydrophobicContact CG1-CG2 4.38Å |
| 326 | V | 85.8 | Confident | 75.3 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127.6 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | I205 R206 A299 L301 L328 P335 | I205-V326 CarbonylContact C-O 3.58Å; I205-V326 WeakPolarHBondContact CA-O 3.37Å; R206-V326 HydrophobicContact CB-CB 4.23Å; R206-V326 PolarHBondContact N-O 2.96Å; R206-V326 PolarHBondContact O-N 3.1Å; A299-V326 HydrophobicContact CB-CB 4.47Å; A299-V326 HydrophobicContact CB-CG1 4.2Å; A299-V326 HydrophobicContact CB-CG2 3.99Å; L301-V326 HydrophobicContact CD2-CG2 4.12Å; V326-L328 HydrophobicContact CG1-CD2 3.69Å; V326-L328 HydrophobicContact CG1-CG 3.9Å; V326-P335 HydrophobicContact CG1-CG 4.05Å; V326-P335 HydrophobicContact CG2-CG 4.04Å |
| 327 | I | 85.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.5 | 170.3 | -54.9 | -173.5 | 0 | 0 | 0 | 106.8 | F203 Q204 I205 M261 L289 V292 Y293 H298 | F203-I327 HydrophobicContact CB-CG2 4.26Å; F203-I327 HydrophobicContact CD1-CG2 4.1Å; Q204-I327 CarbonylContact O-C 3.57Å; Q204-I327 WeakPolarHBondContact O-CA 2.94Å; I205-I327 HydrophobicContact CG1-CD1 4.48Å; I205-I327 HydrophobicContact CG1-CG1 4.07Å; I205-I327 HydrophobicContact CG1-CG2 4.28Å; I205-I327 HydrophobicContact CG2-CG1 4.42Å; M261-I327 HydrophobicContact CE-CG2 4.36Å; L289-I327 HydrophobicContact CB-CD1 3.93Å; L289-I327 HydrophobicContact CD2-CD1 3.88Å; L289-I327 HydrophobicContact CG-CD1 4.49Å; L289-I327 VanDerWaalsContact O-CD1 3.23Å; L289-I327 WeakPolarHBondContact O-CD1 3.42Å; V292-I327 HydrophobicContact CB-CD1 3.72Å; V292-I327 HydrophobicContact CB-CG1 3.96Å; V292-I327 HydrophobicContact CG1-CD1 4.05Å; V292-I327 HydrophobicContact CG1-CG1 3.69Å; Y293-I327 HydrophobicContact CD2-CB 4.11Å; Y293-I327 HydrophobicContact CD2-CG2 3.72Å; Y293-I327 HydrophobicContact CE2-CG2 4.3Å; H298-I327 WeakPolarHBondContact CB-O 3.16Å; H298-I327 PolarHBondContact O-N 3.39Å |
| 328 | L | 76.9 | Confident | 73.9 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.7 | 174.6 | -60.9 | 173.7 | 0 | 0 | 0 | 107 | F203 Q204 V326 D332 A334 | F203-L328 CarbonylContact C-O 3.6Å; F203-L328 VanDerWaalsContact CA-O 3.28Å; F203-L328 WeakPolarHBondContact CA-O 3.21Å; Q204-L328 PolarHBondContact N-O 2.75Å; Q204-L328 PolarHBondContact O-N 2.82Å; V326-L328 HydrophobicContact CG1-CD2 3.69Å; V326-L328 HydrophobicContact CG1-CG 3.9Å; L328-D332 HydrophobicContact CB-CB 4.46Å; L328-D332 HydrophobicContact CD2-CB 3.88Å; L328-A334 HydrophobicContact CD1-CB 3.93Å; L328-A334 HydrophobicContact CD2-CB 4.45Å |
| 329 | G | 73 | Confident | 72.7 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | trans | -89.8 | -175.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G331 D332 | G329-G331 PolarHBondContact O-N 3.17Å; G329-D332 WeakPolarHBondContact CA-OD2 3.21Å; G329-D332 PolarHBondContact N-OD2 3.47Å; G329-D332 WeakPolarHBondContact O-CB 3.49Å; G329-D332 PolarHBondContact O-N 3.37Å | ||
| 330 | P | 62.6 | Low | 71 | Confident | 29 Ų | 29 | 44 Ų | 44 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -41.8 | 112.1 | 169.2 | -44.8 | 50 | 0 | 0 | 0 | 118.5 | Q201 D202 S1594 | Q201-P330 HydrophobicContact CB-CG 4.03Å; Q201-P330 HydrophobicContact CG-CG 4.19Å; D202-P330 VanDerWaalsContact O-CD 3.32Å; D202-P330 WeakPolarHBondContact O-CD 3.46Å; P330-S1594 WeakPolarHBondContact CB-O 3.24Å; P330-S1594 WeakPolarHBondContact CG-O 3.41Å |
| 331 | G | 60 | Low | 69.2 | Low | 76 Ų | 76 | 52.9 Ų | 52.9 | 78% | 0.784 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 8.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G329 | G329-G331 PolarHBondContact O-N 3.17Š|
| 332 | D | 66.6 | Low | 67.2 | Low | 52 Ų | 52 | 56 Ų | 56 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 128.7 | 178 | -69 | -33 | 0 | 0 | 0 | 112.4 | H298 L328 G329 | H298-D332 IonicContact CD2-OD1 2.79Å; H298-D332 IonicContact CD2-OD2 3.53Å; H298-D332 PolarHBondContact CD2-OD2 3.2Å; H298-D332 IonicContact NE2-OD1 3.56Å; H298-D332 IonicContact NE2-OD2 2.79Å; L328-D332 HydrophobicContact CB-CB 4.46Å; L328-D332 HydrophobicContact CD2-CB 3.88Å; G329-D332 WeakPolarHBondContact CA-OD2 3.21Å; G329-D332 PolarHBondContact N-OD2 3.47Å; G329-D332 WeakPolarHBondContact O-CB 3.49Å; G329-D332 PolarHBondContact O-N 3.37Å |
| 333 | E | 57.4 | Low | 65.3 | Low | 181 Ų | 181 | 59.2 Ų | 59.2 | 85% | 0.846 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 130.6 | 171.9 | -76.9 | -173.2 | 174.8 | 0 | 0 | 112.2 | P335 | E333-P335 WeakPolarHBondContact O-CD 3.34Š|
| 334 | A | 61.9 | Low | 63.3 | Low | 45 Ų | 45 | 64.3 Ų | 64.3 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 124.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L328 | L328-A334 HydrophobicContact CD1-CB 3.93Å; L328-A334 HydrophobicContact CD2-CB 4.45Å |
| 335 | P | 62.8 | Low | 61.3 | Low | 18 Ų | 18 | 73.3 Ų | 73.3 | 12% | 0.117 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 148.5 | 173.6 | 26.2 | -30.3 | 0 | 0 | 0 | 112.9 | A299 V326 E333 M337 | A299-P335 HydrophobicContact CB-CG 3.66Å; V326-P335 HydrophobicContact CG1-CG 4.05Å; V326-P335 HydrophobicContact CG2-CG 4.04Å; E333-P335 WeakPolarHBondContact O-CD 3.34Å; P335-M337 PolarHBondContact O-N 3.22Å |
| 336 | I | 57.2 | Low | 59.4 | Low | 143 Ų | 143 | 75.2 Ų | 75.2 | 73% | 0.733 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -76 | 118.1 | 177.2 | -53.9 | 171.9 | 0 | 0 | 0 | 110 | K338 | I336-K338 HydrophobicContact CG2-CG 4.01Å; I336-K338 PolarHBondContact O-N 3.03Å |
| 337 | M | 56.8 | Low | 57.9 | Low | 48 Ų | 48 | 79.7 Ų | 79.7 | 24% | 0.236 | 44% | 0.436 | C | S | . | . | trans | -84.4 | 67.9 | -179.5 | -55.5 | 175.2 | 79.6 | 0 | 0 | 112.2 | K208 L301 P335 | K208-M337 HydrophobicContact CB-CE 3.35Å; K208-M337 HydrophobicContact CD-CE 4.03Å; K208-M337 HydrophobicContact CG-CE 4.31Å; L301-M337 HydrophobicContact CD2-CG 4.11Å; P335-M337 PolarHBondContact O-N 3.22Å | ||
| 338 | K | 55 | Low | 56.7 | Low | 165 Ų | 165 | 80.4 Ų | 80.4 | 72% | 0.717 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -79 | 145.4 | 172.4 | -80.4 | -173.5 | 179.1 | -177.4 | 0 | 111.9 | N302 I336 G340 | N302-K338 PolarHBondContact ND2-O 2.75Å; I336-K338 HydrophobicContact CG2-CG 4.01Å; I336-K338 PolarHBondContact O-N 3.03Å; K338-G340 PolarHBondContact O-N 3.16Å |
| 339 | V | 51.7 | Low | 56.1 | Low | 88 Ų | 88 | 82.3 Ų | 82.3 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 122.5 | 166.1 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | ||
| 340 | G | 44.9 | Very low | 55.5 | Low | 37 Ų | 37 | 84.3 Ų | 84.3 | 38% | 0.381 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 153.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K338 | K338-G340 PolarHBondContact O-N 3.16Š|
| 341 | E | 46.2 | Very low | 55.9 | Low | 187 Ų | 187 | 84.8 Ų | 84.8 | 87% | 0.874 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -71.3 | 131 | 170.9 | -70.8 | -174.1 | 161.7 | 0 | 0 | 110.8 | ||
| 342 | S | 47.5 | Very low | 56.6 | Low | 66 Ų | 66 | 82.2 Ų | 82.2 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | trans | 50.2 | 106.8 | 166.2 | -178.4 | 0 | 0 | 0 | 0 | 116.5 | E344 K345 | S342-E344 PolarHBondContact O-N 3.19Å; S342-E344 PolarHBondContact OG-N 3.32Å; S342-K345 PolarHBondContact O-N 3.13Å | ||
| 343 | D | 48.9 | Very low | 57.3 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -18.7 | 167.4 | -73.9 | 3.3 | 0 | 0 | 0 | 114.7 | R213 K345 | R213-D343 IonicContact CZ-OD2 3.4Å; R213-D343 IonicContact NH1-OD2 3.06Å; R213-D343 IonicContact NH2-OD2 3.92Å; R213-D343 PolarHBondContact NH2-OD2 3.19Å; D343-K345 PolarHBondContact O-N 2.84Å |
| 344 | E | 49.4 | Very low | 58.1 | Low | 106 Ų | 106 | 79.7 Ų | 79.7 | 50% | 0.495 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -24 | -173.6 | -61.3 | -167.6 | 138.4 | 0 | 0 | 114.3 | S342 K444 | S342-E344 PolarHBondContact O-N 3.19Å; S342-E344 PolarHBondContact OG-N 3.32Å; E344-K444 IonicContact OE1-NZ 2.63Å; E344-K444 PolarHBondContact OE1-NZ 3.39Å |
| 345 | K | 47.2 | Very low | 58.5 | Low | 191 Ų | 191 | 78.5 Ų | 78.5 | 83% | 0.83 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -101.9 | -8.8 | -176.7 | -71.7 | -172.7 | 179.6 | -179 | 0 | 114.3 | S342 D343 | S342-K345 PolarHBondContact O-N 3.13Å; D343-K345 PolarHBondContact O-N 2.84Å |
| 346 | E | 51.3 | Low | 58.6 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 19% | 0.192 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -74.6 | 126.3 | 177.4 | -69.3 | -173.2 | 161.8 | 0 | 0 | 109.1 | K322 I348 | K322-E346 IonicContact NZ-OE2 3.71Å; K322-E346 PolarHBondContact NZ-OE2 2.84Å; E346-I348 VanDerWaalsContact C-N 3.26Å; E346-I348 WeakPolarHBondContact O-CG1 3.45Å; E346-I348 PolarHBondContact O-N 3.37Å |
| 347 | D | 54.2 | Low | 59 | Low | 96 Ų | 96 | 79.3 Ų | 79.3 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | trans | -68.6 | 90.4 | 163.5 | 179.9 | -2 | 0 | 0 | 0 | 107.9 | E349 G350 N351 | D347-E349 VanDerWaalsContact C-N 3.34Å; D347-E349 PolarHBondContact O-N 2.92Å; D347-E349 PolarHBondContact OD1-N 3.47Å; D347-G350 PolarHBondContact O-N 2.99Å; D347-G350 PolarHBondContact OD1-N 2.99Å; D347-N351 WeakPolarHBondContact O-CB 3.47Å; D347-N351 PolarHBondContact O-N 2.68Å | ||
| 348 | I | 60.2 | Low | 59.3 | Low | 15 Ų | 15 | 77.6 Ų | 77.6 | 8% | 0.077 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -40.7 | -172.1 | -61.1 | 177.8 | 0 | 0 | 0 | 111 | E346 N351 L352 M439 C440 | E346-I348 VanDerWaalsContact C-N 3.26Å; E346-I348 WeakPolarHBondContact O-CG1 3.45Å; E346-I348 PolarHBondContact O-N 3.37Å; I348-N351 PolarHBondContact O-N 3.28Å; I348-L352 PolarHBondContact O-N 3.32Å; I348-M439 HydrophobicContact CG2-CB 3.58Å; I348-M439 HydrophobicContact CG2-CE 3.47Å; I348-M439 VanDerWaalsContact CG2-CE 3.47Å; I348-M439 HydrophobicContact CG2-CG 4.49Å; I348-C440 HydrophobicContact CD1-CB 4.09Å |
| 349 | E | 62.6 | Low | 59.7 | Low | 56 Ų | 56 | 78.1 Ų | 78.1 | 26% | 0.262 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -37.6 | 178.7 | -72.5 | -172 | 164.5 | 0 | 0 | 111.1 | D347 N351 L352 A409 K411 Q435 | D347-E349 VanDerWaalsContact C-N 3.34Å; D347-E349 PolarHBondContact O-N 2.92Å; D347-E349 PolarHBondContact OD1-N 3.47Å; E349-N351 PolarHBondContact O-N 3.05Å; E349-L352 PolarHBondContact O-N 3.28Å; E349-A409 HydrophobicContact CG-CB 4.26Å; E349-K411 IonicContact OE2-NZ 3.47Å; E349-Q435 PolarHBondContact OE1-N 2.99Å |
| 350 | G | 61.2 | Low | 60.7 | Low | 52 Ų | 52 | 74.5 Ų | 74.5 | 54% | 0.536 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D347 | D347-G350 PolarHBondContact O-N 2.99Å; D347-G350 PolarHBondContact OD1-N 2.99Å |
| 351 | N | 70.5 | Confident | 62 | Low | 39 Ų | 39 | 76.4 Ų | 76.4 | 21% | 0.209 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 7.2 | 179.9 | -85.1 | -22.4 | 0 | 0 | 0 | 114.9 | K303 W304 D347 I348 E349 | K303-N351 HydrophobicContact CD-CB 4.33Å; K303-N351 PolarHBondContact NZ-OD1 3.12Å; W304-N351 PolarHBondContact N-O 3.26Å; W304-N351 VanDerWaalsContact N-O 3.16Å; D347-N351 WeakPolarHBondContact O-CB 3.47Å; D347-N351 PolarHBondContact O-N 2.68Å; I348-N351 PolarHBondContact O-N 3.28Å; E349-N351 PolarHBondContact O-N 3.05Å |
| 352 | L | 76 | Confident | 63.5 | Low | 21 Ų | 21 | 68.5 Ų | 68.5 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.1 | -179.4 | 179.6 | 65.7 | 0 | 0 | 0 | 113.1 | W304 L306 Y320 I348 E349 R354 L360 M439 | W304-L352 HydrophobicContact CB-CD1 3.89Å; L306-L352 HydrophobicContact CB-CD1 4.14Å; Y320-L352 HydrophobicContact CD1-CD1 3.97Å; Y320-L352 HydrophobicContact CE1-CD1 3.94Å; Y320-L352 HydrophobicContact CE1-CD2 4.08Å; I348-L352 PolarHBondContact O-N 3.32Å; E349-L352 PolarHBondContact O-N 3.28Å; L352-R354 HydrophobicContact CD2-CG 4.34Å; L352-R354 HydrophobicContact CG-CG 4.3Å; L352-L360 HydrophobicContact CD2-CD1 3.73Å; L352-M439 HydrophobicContact CB-CE 4.2Å; L352-M439 HydrophobicContact CD1-CE 3.92Å; L352-M439 HydrophobicContact CD1-CG 4.38Å; L352-M439 HydrophobicContact CD1-SD 3.79Å; L352-M439 HydrophobicContact CD2-CG 4.32Å |
| 353 | L | 79.4 | Confident | 65.3 | Low | 43 Ų | 43 | 65.4 Ų | 65.4 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 134 | 170.4 | -62.2 | 174.6 | 0 | 0 | 0 | 111 | F285 M300 K303 W304 L305 L306 | F285-L353 HydrophobicContact CE1-CB 4.26Å; F285-L353 VanDerWaalsContact CE2-O 3.26Å; F285-L353 WeakPolarHBondContact CE2-O 3.4Å; F285-L353 HydrophobicContact CZ-CB 3.76Å; M300-L353 HydrophobicContact CE-CD1 3.54Å; M300-L353 HydrophobicContact SD-CD1 3.32Å; M300-L353 WeakPolarHBondContact SD-CD1 3.44Å; K303-L353 HydrophobicContact CB-CD1 4.36Å; W304-L353 PolarHBondContact O-N 2.92Å; L305-L353 HydrophobicContact CD2-CB 3.96Å; L305-L353 HydrophobicContact CD2-CD1 3.82Å; L305-L353 HydrophobicContact CD2-CG 4.42Å; L306-L353 PolarHBondContact N-O 3.24Å |
| 354 | R | 75.7 | Confident | 67.2 | Low | 138 Ų | 138 | 62 Ų | 62 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | trans | -119 | 140.8 | -174.1 | -67.7 | 179.5 | -82.8 | -175.2 | -4.9 | 111 | L306 L352 | L306-R354 HydrophobicContact CD2-CG 4.17Å; L352-R354 HydrophobicContact CD2-CG 4.34Å; L352-R354 HydrophobicContact CG-CG 4.3Å | ||
| 355 | P | 70.3 | Confident | 69.2 | Low | 20 Ų | 20 | 57 Ų | 57 | 13% | 0.13 | 32% | 0.317 | C | S | . | . | trans | -68.1 | 150.2 | 174.6 | -7.5 | 22.2 | 0 | 0 | 0 | 111.1 | F285 G357 V358 | F285-P355 HydrophobicContact CD2-CG 3.7Å; F285-P355 HydrophobicContact CE2-CB 4.32Å; F285-P355 VanDerWaalsContact CE2-CD 3.42Å; F285-P355 HydrophobicContact CE2-CG 3.63Å; P355-G357 PolarHBondContact O-N 3.27Å; P355-V358 HydrophobicContact CB-CB 4.07Å; P355-V358 HydrophobicContact CB-CG2 3.92Å; P355-V358 HydrophobicContact CG-CB 3.89Å; P355-V358 HydrophobicContact CG-CG1 4.35Å; P355-V358 HydrophobicContact CG-CG2 3.96Å; P355-V358 PolarHBondContact O-N 3.38Å | ||
| 356 | A | 65.2 | Low | 71.3 | Confident | 107 Ų | 107 | 49.8 Ų | 49.8 | 88% | 0.884 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 127.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V358 | A356-V358 VanDerWaalsContact C-N 3.29Å; A356-V358 PolarHBondContact O-N 2.92Å |
| 357 | G | 63.8 | Low | 73.4 | Confident | 71 Ų | 71 | 47.9 Ų | 47.9 | 73% | 0.732 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -14.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P355 Q359 | P355-G357 PolarHBondContact O-N 3.27Å; G357-Q359 PolarHBondContact O-N 3.04Å |
| 358 | V | 65.2 | Low | 75.4 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | trans | -92.7 | 101.3 | 174.8 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | L306 C308 P313 P355 A356 | L306-V358 HydrophobicContact CD2-CG1 3.97Å; C308-V358 HydrophobicContact CB-CG2 4.39Å; P313-V358 HydrophobicContact CB-CG2 3.94Å; P355-V358 HydrophobicContact CB-CB 4.07Å; P355-V358 HydrophobicContact CB-CG2 3.92Å; P355-V358 HydrophobicContact CG-CB 3.89Å; P355-V358 HydrophobicContact CG-CG1 4.35Å; P355-V358 HydrophobicContact CG-CG2 3.96Å; P355-V358 PolarHBondContact O-N 3.38Å; A356-V358 VanDerWaalsContact C-N 3.29Å; A356-V358 PolarHBondContact O-N 2.92Å | ||
| 359 | Q | 62.4 | Low | 77 | Confident | 175 Ų | 175 | 43 Ų | 43 | 82% | 0.818 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -95.1 | 133.2 | 171.1 | -67.9 | -174.8 | -10.7 | 0 | 0 | 108.9 | G357 R361 | G357-Q359 PolarHBondContact O-N 3.04Å; Q359-R361 PolarHBondContact O-N 2.82Å |
| 360 | L | 71.8 | Confident | 78.6 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 136.6 | 163.9 | -69.2 | 174.6 | 0 | 0 | 0 | 107.5 | L306 A317 L352 P362 Q435 F436 | L306-L360 HydrophobicContact CD1-CD2 3.81Å; L306-L360 HydrophobicContact CD2-CD2 3.63Å; L306-L360 HydrophobicContact CD2-CG 3.9Å; L306-L360 HydrophobicContact CG-CD2 4.41Å; A317-L360 HydrophobicContact CB-CD2 4.41Å; L352-L360 HydrophobicContact CD2-CD1 3.73Å; L360-P362 WeakPolarHBondContact O-CD 3.15Å; L360-Q435 HydrophobicContact CB-CB 3.87Å; L360-Q435 HydrophobicContact CD1-CB 3.65Å; L360-Q435 HydrophobicContact CG-CB 4.41Å; L360-Q435 PolarHBondContact O-OE1 3.2Å; L360-F436 WeakPolarHBondContact CD2-O 3.35Å |
| 361 | R | 73.2 | Confident | 80.2 | Confident | 77 Ų | 77 | 38.9 Ų | 38.9 | 29% | 0.291 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.2 | 178.1 | -169.6 | 169 | -177.6 | -173.9 | 7.2 | 107.4 | Q359 A363 F436 L553 D554 | Q359-R361 PolarHBondContact O-N 2.82Å; R361-A363 PolarHBondContact O-N 2.89Å; R361-F436 PolarHBondContact N-O 2.89Å; R361-F436 PolarHBondContact O-N 3.04Å; R361-L553 WeakPolarHBondContact CG-O 3.4Å; R361-L553 PolarHBondContact NE-O 2.67Å; R361-D554 IonicContact CZ-OD1 3.76Å; R361-D554 IonicContact NE-OD1 2.57Å; R361-D554 IonicContact NH2-OD1 2.77Å; R361-D554 PolarHBondContact NH2-OD1 2.57Å |
| 362 | P | 78 | Confident | 81.3 | Confident | 22 Ų | 22 | 37 Ų | 37 | 14% | 0.143 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 131.2 | 167.9 | -21.1 | 32.1 | 0 | 0 | 0 | 108.5 | L360 L553 P556 | L360-P362 WeakPolarHBondContact O-CD 3.15Å; P362-L553 WeakPolarHBondContact O-CA 3.14Å; P362-L553 PolarHBondContact O-N 3.03Å; P362-P556 HydrophobicContact CB-CB 4.25Å |
| 363 | A | 83.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 163 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | R361 N433 I434 F436 T550 E551 L552 | R361-A363 PolarHBondContact O-N 2.89Å; A363-N433 PolarHBondContact O-OD1 3.43Å; A363-I434 HydrophobicContact CB-CD1 4.35Å; A363-I434 HydrophobicContact CB-CG1 4.01Å; A363-I434 PolarHBondContact N-O 3.36Å; A363-I434 VanDerWaalsContact O-CG1 3.31Å; A363-I434 WeakPolarHBondContact O-CG1 2.93Å; A363-I434 PolarHBondContact O-N 3.31Å; A363-F436 HydrophobicContact CB-CB 3.54Å; A363-F436 HydrophobicContact CB-CG 4.35Å; A363-T550 HydrophobicContact CB-CG2 4.47Å; A363-E551 CarbonylContact C-O 3.57Å; A363-E551 WeakPolarHBondContact CA-O 3.23Å; A363-E551 WeakPolarHBondContact CB-O 3.29Å; A363-L552 HydrophobicContact CB-CD2 3.88Å |
| 364 | I | 88.9 | Confident | 82.6 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.3 | 173.4 | 52.3 | 174.8 | 0 | 0 | 0 | 109.3 | K366 T431 M432 T550 E551 L553 | I364-K366 HydrophobicContact CD1-CD 4.3Å; I364-K366 HydrophobicContact CD1-CG 3.97Å; I364-K366 HydrophobicContact CG1-CG 4.35Å; I364-T431 HydrophobicContact CB-CG2 3.93Å; I364-T431 HydrophobicContact CD1-CG2 3.98Å; I364-T431 HydrophobicContact CG2-CG2 3.81Å; I364-M432 CarbonylContact C-O 3.59Å; I364-M432 VanDerWaalsContact CA-O 3.3Å; I364-M432 WeakPolarHBondContact CA-O 3.41Å; I364-T550 WeakPolarHBondContact O-CA 3.42Å; I364-E551 HydrophobicContact CD1-CB 4.27Å; I364-E551 HydrophobicContact CG1-CB 3.85Å; I364-E551 PolarHBondContact N-O 2.89Å; I364-E551 PolarHBondContact O-N 2.83Å; I364-L553 HydrophobicContact CB-CD1 4.36Å; I364-L553 HydrophobicContact CD1-CD1 4.11Å; I364-L553 HydrophobicContact CD1-CD2 4.32Å; I364-L553 HydrophobicContact CG1-CD1 4.01Å; I364-L553 HydrophobicContact CG1-CD2 4.46Å; I364-L553 HydrophobicContact CG1-CG 4.26Å; I364-L553 HydrophobicContact CG2-CD1 3.59Å |
| 365 | F | 91.5 | Very high | 83.2 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 115.4 | 155.9 | -75.3 | -19.4 | 0 | 0 | 0 | 107.8 | I367 F408 M432 I434 I466 P504 L548 T550 | F365-I367 HydrophobicContact CB-CD1 4.42Å; F365-I367 HydrophobicContact CB-CG1 4.32Å; F365-F408 HydrophobicContact CD2-CD1 4.22Å; F365-F408 HydrophobicContact CD2-CE1 4.19Å; F365-F408 AromaticContact CE2-CD1 3.84Å; F365-F408 HydrophobicContact CE2-CD1 3.84Å; F365-F408 HydrophobicContact CE2-CD2 4.46Å; F365-F408 AromaticContact CE2-CE1 3.43Å; F365-F408 HydrophobicContact CE2-CE1 3.43Å; F365-F408 VanDerWaalsContact CE2-CE1 3.43Å; F365-F408 HydrophobicContact CE2-CE2 4.12Å; F365-F408 HydrophobicContact CE2-CG 4.32Å; F365-F408 AromaticContact CE2-CZ 3.57Å; F365-F408 HydrophobicContact CE2-CZ 3.57Å; F365-F408 HydrophobicContact CZ-CE1 4.13Å; F365-F408 HydrophobicContact CZ-CZ 4.06Å; F365-M432 HydrophobicContact CB-CB 4.41Å; F365-M432 PolarHBondContact N-O 3.1Å; F365-M432 PolarHBondContact O-N 3.38Å; F365-I434 HydrophobicContact CD1-CD1 3.54Å; F365-I434 HydrophobicContact CD2-CD1 3.99Å; F365-I434 HydrophobicContact CD2-CG2 4.17Å; F365-I434 HydrophobicContact CE1-CD1 3.38Å; F365-I434 HydrophobicContact CE2-CD1 3.87Å; F365-I434 HydrophobicContact CG-CD1 3.85Å; F365-I434 HydrophobicContact CZ-CD1 3.56Å; F365-I466 HydrophobicContact CE2-CD1 4.11Å; F365-I466 HydrophobicContact CZ-CD1 3.93Å; F365-P504 HydrophobicContact CE1-CB 3.98Å; F365-P504 HydrophobicContact CE1-CG 4.18Å; F365-P504 HydrophobicContact CZ-CB 4.3Å; F365-P504 HydrophobicContact CZ-CG 4.42Å; F365-L548 HydrophobicContact CB-CD1 3.62Å; F365-L548 HydrophobicContact CD1-CD1 3.84Å; F365-L548 HydrophobicContact CD2-CD1 4.29Å; F365-L548 HydrophobicContact CG-CD1 3.68Å; F365-T550 HydrophobicContact CD1-CG2 4.23Å; F365-T550 WeakPolarHBondContact CD1-OG1 3.5Å; F365-T550 HydrophobicContact CE1-CG2 4.14Å; F365-T550 VanDerWaalsContact CE1-OG1 3.24Å; F365-T550 WeakPolarHBondContact CE1-OG1 3.18Å |
| 366 | K | 93.2 | Very high | 83.8 | Confident | 40 Ų | 40 | 27.6 Ų | 27.6 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 104.7 | 167 | -71.7 | -171.3 | -177.5 | 171.5 | 0 | 107.9 | I364 L548 S549 E551 | I364-K366 HydrophobicContact CD1-CD 4.3Å; I364-K366 HydrophobicContact CD1-CG 3.97Å; I364-K366 HydrophobicContact CG1-CG 4.35Å; K366-L548 WeakPolarHBondContact O-CA 3.1Å; K366-S549 PolarHBondContact N-O 2.71Å; K366-S549 PolarHBondContact O-N 3.11Å; K366-E551 WeakPolarHBondContact CD-OE1 3.13Å; K366-E551 VanDerWaalsContact CE-OE1 3.26Å; K366-E551 WeakPolarHBondContact CE-OE1 3.44Å; K366-E551 WeakPolarHBondContact CE-OE2 3.36Å; K366-E551 IonicContact NZ-OE1 3.23Å; K366-E551 PolarHBondContact NZ-OE1 3.18Å; K366-E551 IonicContact NZ-OE2 2.62Å; K366-E551 PolarHBondContact NZ-OE2 3.34Å |
| 367 | I | 94.8 | Very high | 84.4 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 108.4 | 179 | -61.3 | 166.2 | 0 | 0 | 0 | 107.4 | F365 L369 V406 I430 L443 F445 E547 L548 | F365-I367 HydrophobicContact CB-CD1 4.42Å; F365-I367 HydrophobicContact CB-CG1 4.32Å; I367-L369 PolarHBondContact O-N 3.19Å; I367-V406 HydrophobicContact CD1-CG1 3.6Å; I367-I430 HydrophobicContact CB-CB 4.24Å; I367-I430 PolarHBondContact N-O 3.16Å; I367-I430 PolarHBondContact O-N 3.49Å; I367-L443 HydrophobicContact CD1-CD1 4.41Å; I367-L443 HydrophobicContact CD1-CD2 4.34Å; I367-F445 HydrophobicContact CD1-CE1 4.35Å; I367-F445 HydrophobicContact CG2-CE1 4.01Å; I367-E547 CarbonylContact C-O 3.57Å; I367-E547 WeakPolarHBondContact CA-O 3.28Å; I367-L548 HydrophobicContact CD1-CD1 4.48Å; I367-L548 HydrophobicContact CG1-CD1 3.67Å |
| 368 | L | 95.2 | Very high | 84.7 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 101.6 | 173.5 | -47.9 | 172.3 | 0 | 0 | 0 | 107.3 | Y370 E429 L546 E547 L564 K568 | L368-Y370 HydrophobicContact CB-CE2 3.87Å; L368-Y370 WeakPolarHBondContact O-CD2 3.25Å; L368-E429 HydrophobicContact CD2-CB 3.91Å; L368-E429 HydrophobicContact CD2-CG 3.66Å; L368-E429 WeakPolarHBondContact CD2-OE2 3.33Å; L368-L546 VanDerWaalsContact O-CA 3.24Å; L368-L546 WeakPolarHBondContact O-CA 3.29Å; L368-L546 WeakPolarHBondContact O-CB 3.2Å; L368-E547 HydrophobicContact CB-CB 4.2Å; L368-E547 HydrophobicContact CD1-CB 4.29Å; L368-E547 HydrophobicContact CD1-CG 4.22Å; L368-E547 WeakPolarHBondContact CD1-OE2 3.49Å; L368-E547 PolarHBondContact N-O 2.7Å; L368-E547 PolarHBondContact O-N 2.89Å; L368-L564 HydrophobicContact CB-CD1 4.42Å; L368-L564 HydrophobicContact CB-CD2 4.16Å; L368-L564 HydrophobicContact CD2-CD2 3.32Å; L368-L564 HydrophobicContact CG-CD2 4.24Å; L368-K568 HydrophobicContact CD1-CD 4.28Å; L368-K568 HydrophobicContact CD2-CD 4.42Å |
| 369 | L | 95.3 | Very high | 84.3 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 102.9 | 176.3 | -179.8 | 64.8 | 0 | 0 | 0 | 108.5 | I367 A404 W426 N427 E428 I430 V544 | I367-L369 PolarHBondContact O-N 3.19Å; L369-A404 HydrophobicContact CD2-CB 3.67Å; L369-W426 HydrophobicContact CD1-CE3 4.16Å; L369-W426 HydrophobicContact CD1-CZ3 4.48Å; L369-W426 HydrophobicContact CD2-CB 4.07Å; L369-W426 HydrophobicContact CD2-CD2 3.78Å; L369-W426 HydrophobicContact CD2-CE3 3.92Å; L369-W426 HydrophobicContact CD2-CG 3.83Å; L369-W426 HydrophobicContact CG-CB 4.11Å; L369-W426 HydrophobicContact CG-CD2 4.15Å; L369-W426 HydrophobicContact CG-CE3 3.87Å; L369-W426 HydrophobicContact CG-CG 4.26Å; L369-N427 WeakPolarHBondContact O-CA 3.47Å; L369-N427 PolarHBondContact O-N 3Å; L369-N427 VanDerWaalsContact O-N 3.17Å; L369-E428 PolarHBondContact N-O 3.4Å; L369-E428 PolarHBondContact O-N 3.24Å; L369-I430 HydrophobicContact CD2-CD1 4.26Å; L369-V544 HydrophobicContact CD1-CG2 3.47Å; L369-V544 VanDerWaalsContact CD1-CG2 3.47Å |
| 370 | Y | 94.9 | Very high | 83.7 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -70.4 | -177.6 | -64.1 | -80.4 | 0 | 0 | 0 | 110.5 | L368 W426 N427 L545 E547 L564 I572 | L368-Y370 HydrophobicContact CB-CE2 3.87Å; L368-Y370 WeakPolarHBondContact O-CD2 3.25Å; Y370-W426 PolarHBondContact O-N 3.25Å; Y370-N427 PolarHBondContact O-N 3.44Å; Y370-L545 HydrophobicContact CD2-CG 4.17Å; Y370-L545 PolarHBondContact N-O 3.29Å; Y370-E547 HydrophobicContact CE2-CB 3.88Å; Y370-E547 PolarHBondContact OH-OE2 2.7Å; Y370-L564 HydrophobicContact CD1-CD1 3.78Å; Y370-L564 HydrophobicContact CE1-CD1 3.78Å; Y370-I572 HydrophobicContact CD1-CB 4.35Å; Y370-I572 HydrophobicContact CD1-CG1 4.37Å; Y370-I572 HydrophobicContact CD1-CG2 4.15Å; Y370-I572 HydrophobicContact CD2-CG1 4.41Å; Y370-I572 HydrophobicContact CE1-CB 4.17Å; Y370-I572 HydrophobicContact CE1-CG1 4.38Å; Y370-I572 HydrophobicContact CE1-CG2 4.38Å; Y370-I572 HydrophobicContact CE2-CD1 4.2Å; Y370-I572 HydrophobicContact CE2-CG1 4.43Å; Y370-I572 HydrophobicContact CG-CG1 4.38Å |
| 371 | M | 94.7 | Very high | 82.5 | Confident | 20 Ų | 20 | 24.2 Ų | 24.2 | 10% | 0.099 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 162.3 | -172.1 | 63.1 | -172.2 | -64.6 | 0 | 0 | 111.8 | E373 P424 E425 V544 L545 L576 | M371-E373 HydrophobicContact CE-CG 3.83Å; M371-E373 WeakPolarHBondContact CE-OE1 3.36Å; M371-P424 CarbonylContact C-O 3.6Å; M371-P424 WeakPolarHBondContact CA-O 3.35Å; M371-P424 WeakPolarHBondContact CB-O 3.44Å; M371-E425 HydrophobicContact CB-CG 4.11Å; M371-E425 HydrophobicContact CE-CG 4.48Å; M371-V544 WeakPolarHBondContact O-CG2 3.47Å; M371-L545 HydrophobicContact CG-CB 4.13Å; M371-L545 HydrophobicContact CG-CD2 4.38Å; M371-L545 PolarHBondContact O-N 2.88Å; M371-L576 HydrophobicContact SD-CD1 4.18Å; M371-L576 HydrophobicContact SD-CD2 3.98Å |
| 372 | A | 94.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 160.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L375 H423 P424 W426 R543 V544 | A372-L375 HydrophobicContact CB-CD1 4.34Å; A372-L375 HydrophobicContact CB-CD2 4.27Å; A372-L375 HydrophobicContact CB-CG 4.37Å; A372-H423 CarbonylContact O-C 3.58Å; A372-H423 VanDerWaalsContact O-CA 3.26Å; A372-H423 WeakPolarHBondContact O-CA 3.09Å; A372-P424 HydrophobicContact CB-CG 3.93Å; A372-P424 PolarHBondContact N-O 3.11Å; A372-P424 WeakPolarHBondContact O-CD 3.28Å; A372-W426 HydrophobicContact CB-CH2 3.98Å; A372-W426 HydrophobicContact CB-CZ3 3.62Å; A372-R543 CarbonylContact C-O 3.58Å; A372-R543 WeakPolarHBondContact CA-O 3.4Å; A372-R543 WeakPolarHBondContact CB-O 3.37Å; A372-V544 HydrophobicContact CB-CB 4.22Å; A372-V544 HydrophobicContact CB-CG2 4.44Å |
| 373 | E | 92.5 | Very high | 79.9 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.9 | -179.6 | -61.3 | 175.9 | 167.7 | 0 | 0 | 109.9 | M371 L375 H423 F510 G542 R543 R578 | M371-E373 HydrophobicContact CE-CG 3.83Å; M371-E373 WeakPolarHBondContact CE-OE1 3.36Å; E373-L375 PolarHBondContact O-N 2.91Å; E373-H423 WeakPolarHBondContact CA-ND1 3.47Å; E373-H423 WeakPolarHBondContact CB-ND1 3.44Å; E373-F510 HydrophobicContact CG-CE1 4.26Å; E373-G542 VanDerWaalsContact O-CA 3.25Å; E373-G542 WeakPolarHBondContact O-CA 3.43Å; E373-R543 HydrophobicContact CB-CG 4.36Å; E373-R543 PolarHBondContact N-O 2.88Å; E373-R543 PolarHBondContact O-N 2.77Å; E373-R543 IonicContact OE2-CZ 3.04Å; E373-R543 IonicContact OE2-NE 3.96Å; E373-R543 PolarHBondContact OE2-NE 3.4Å; E373-R543 IonicContact OE2-NH2 2.67Å; E373-R543 PolarHBondContact OE2-NH2 3.16Å; E373-R578 IonicContact OE1-NH2 2.75Å; E373-R578 PolarHBondContact OE1-NH2 3.3Å; E373-R578 IonicContact OE2-CZ 3Å; E373-R578 IonicContact OE2-NH1 3.58Å; E373-R578 IonicContact OE2-NH2 2.77Å; E373-R578 PolarHBondContact OE2-NH2 3.24Å |
| 374 | D | 89.6 | Confident | 78 | Confident | 12 Ų | 12 | 28.7 Ų | 28.7 | 6% | 0.064 | 15% | 0.146 | C | C | . | . | trans | 63.9 | 24.9 | 171.6 | -61.9 | -14.9 | 0 | 0 | 0 | 114.1 | D422 H423 Y540 G542 N609 | D374-D422 PolarHBondContact N-O 3.03Å; D374-H423 PolarHBondContact N-CE1 2.91Å; D374-H423 PolarHBondContact N-ND1 2.87Å; D374-H423 IonicContact OD1-CE1 3.64Å; D374-H423 PolarHBondContact OD1-CE1 2.61Å; D374-Y540 HydrophobicContact CB-CE1 3.69Å; D374-Y540 PolarHBondContact OD2-OH 2.93Å; D374-G542 WeakPolarHBondContact O-CA 3.17Å; D374-N609 WeakPolarHBondContact CB-ND2 3.3Å | ||
| 375 | L | 89.1 | Confident | 76.1 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 136.6 | -179.7 | -59.9 | -177.1 | 0 | 0 | 0 | 110.8 | A372 E373 V400 P402 D422 P424 I459 L513 | A372-L375 HydrophobicContact CB-CD1 4.34Å; A372-L375 HydrophobicContact CB-CD2 4.27Å; A372-L375 HydrophobicContact CB-CG 4.37Å; E373-L375 PolarHBondContact O-N 2.91Å; L375-V400 HydrophobicContact CB-CG2 4.07Å; L375-V400 HydrophobicContact CD1-CG2 4.33Å; L375-P402 HydrophobicContact CD1-CB 3.65Å; L375-P402 HydrophobicContact CD1-CG 3.88Å; L375-D422 HydrophobicContact CB-CB 4.4Å; L375-D422 WeakPolarHBondContact CB-O 3.48Å; L375-D422 WeakPolarHBondContact CG-O 3.41Å; L375-D422 PolarHBondContact N-O 2.91Å; L375-D422 VanDerWaalsContact N-O 3.11Å; L375-D422 WeakPolarHBondContact O-CB 3.4Å; L375-P424 HydrophobicContact CD1-CG 3.71Å; L375-I459 HydrophobicContact CD2-CG2 4.29Å; L375-L513 HydrophobicContact CD2-CD1 4.14Å |
| 376 | P | 83 | Confident | 74 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 150.5 | -178.9 | 30.2 | -36.9 | 0 | 0 | 0 | 113.6 | M378 V400 I459 R541 | P376-M378 HydrophobicContact CG-SD 4.49Å; P376-V400 WeakPolarHBondContact O-CG1 3.37Å; P376-I459 HydrophobicContact CG-CG2 3.7Å; P376-R541 VanDerWaalsContact CD-O 3.26Å; P376-R541 WeakPolarHBondContact CD-O 3.43Å; P376-R541 HydrophobicContact CG-CB 4.48Å; P376-R541 VanDerWaalsContact CG-CZ 3.42Å |
| 377 | R | 75.9 | Confident | 71.7 | Confident | 79 Ų | 79 | 36.2 Ų | 36.2 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -69.5 | 137.5 | 163.3 | -51 | -178.9 | -177.9 | -177 | -3.8 | 108.8 | E398 Y520 | R377-E398 WeakPolarHBondContact CG-O 3.44Å; R377-Y520 HydrophobicContact CB-CE1 4.16Å; R377-Y520 WeakPolarHBondContact O-CE1 3.39Å |
| 378 | M | 70.2 | Confident | 69.4 | Low | 48 Ų | 48 | 39.6 Ų | 39.6 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | trans | -104.4 | -28.7 | -178.4 | -65.7 | -62.6 | -73 | 0 | 0 | 112.8 | P376 V400 D449 D457 R541 | P376-M378 HydrophobicContact CG-SD 4.49Å; M378-V400 HydrophobicContact CB-CG1 4.13Å; M378-V400 HydrophobicContact CG-CG1 3.51Å; M378-D449 HydrophobicContact CG-CB 4.37Å; M378-D457 HydrophobicContact CE-CB 3.74Å; M378-R541 PolarHBondContact SD-NH2 2.97Å | ||
| 379 | D | 58.1 | Low | 67.2 | Low | 37 Ų | 37 | 46.8 Ų | 46.8 | 20% | 0.198 | 25% | 0.25 | C | S | . | . | trans | -84.8 | 135.5 | -177.9 | -80.2 | -35.2 | 0 | 0 | 0 | 112.7 | K387 | D379-K387 VanDerWaalsContact CG-NZ 3.25Å; D379-K387 IonicContact OD1-NZ 2.69Å; D379-K387 PolarHBondContact OD1-NZ 3.45Å; D379-K387 IonicContact OD2-NZ 3.24Å; D379-K387 PolarHBondContact OD2-NZ 3.42Å | ||
| 380 | S | 49.6 | Very low | 64.9 | Low | 15 Ų | 15 | 53.4 Ų | 53.4 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | trans | -84.1 | 149.1 | 171.1 | 79.7 | 0 | 0 | 0 | 0 | 111.8 | A382 F383 K384 | S380-A382 PolarHBondContact O-N 3.32Å; S380-F383 PolarHBondContact O-N 2.86Å; S380-F383 VanDerWaalsContact O-N 3.14Å; S380-F383 PolarHBondContact OG-N 3.43Å; S380-F383 VanDerWaalsContact OG-N 3.11Å; S380-K384 PolarHBondContact O-N 2.94Å | ||
| 381 | D | 47.3 | Very low | 62.3 | Low | 127 Ų | 127 | 55.5 Ų | 55.5 | 68% | 0.679 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61 | -24.8 | 175.2 | -73.2 | -33.9 | 0 | 0 | 0 | 113 | K384 | D381-K384 WeakPolarHBondContact O-CB 3.47Å; D381-K384 WeakPolarHBondContact OD1-CE 3.41Å; D381-K384 IonicContact OD1-NZ 2.97Å; D381-K384 PolarHBondContact OD1-NZ 3.03Å |
| 382 | A | 47.7 | Very low | 59.8 | Low | 52 Ų | 52 | 61.8 Ų | 61.8 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.6 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S380 K384 G385 D522 | S380-A382 PolarHBondContact O-N 3.32Å; A382-K384 VanDerWaalsContact C-N 3.3Å; A382-K384 PolarHBondContact O-N 2.68Å; A382-G385 PolarHBondContact O-N 3.07Å; A382-D522 VanDerWaalsContact CB-OD1 3.24Å; A382-D522 WeakPolarHBondContact CB-OD1 3.15Å |
| 383 | F | 47.1 | Very low | 57.1 | Low | 100 Ų | 100 | 64.3 Ų | 64.3 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.9 | -23 | 174.1 | -95.7 | -87.3 | 0 | 0 | 0 | 112.8 | S380 G385 I386 K387 | S380-F383 PolarHBondContact O-N 2.86Å; S380-F383 VanDerWaalsContact O-N 3.14Å; S380-F383 PolarHBondContact OG-N 3.43Å; S380-F383 VanDerWaalsContact OG-N 3.11Å; F383-G385 PolarHBondContact O-N 2.89Å; F383-I386 PolarHBondContact O-N 3.43Å; F383-I386 VanDerWaalsContact O-N 3.13Å; F383-K387 WeakPolarHBondContact O-CB 3.39Å; F383-K387 PolarHBondContact O-N 3.39Å |
| 384 | K | 45.5 | Very low | 54.7 | Low | 41 Ų | 41 | 71.4 Ų | 71.4 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -54.2 | -40.1 | 168.6 | -73.3 | -179 | -178.9 | 163.6 | 0 | 111.8 | S380 D381 A382 I386 N388 | S380-K384 PolarHBondContact O-N 2.94Å; D381-K384 WeakPolarHBondContact O-CB 3.47Å; D381-K384 WeakPolarHBondContact OD1-CE 3.41Å; D381-K384 IonicContact OD1-NZ 2.97Å; D381-K384 PolarHBondContact OD1-NZ 3.03Å; A382-K384 VanDerWaalsContact C-N 3.3Å; A382-K384 PolarHBondContact O-N 2.68Å; K384-I386 PolarHBondContact O-N 3.04Å; K384-N388 WeakPolarHBondContact O-CB 3.43Å; K384-N388 PolarHBondContact O-N 2.9Å; K384-N388 PolarHBondContact O-OD1 3.1Å |
| 385 | G | 48.4 | Very low | 52.4 | Low | 46 Ų | 46 | 78.6 Ų | 78.6 | 47% | 0.474 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A382 F383 L389 | A382-G385 PolarHBondContact O-N 3.07Å; F383-G385 PolarHBondContact O-N 2.89Å; G385-L389 PolarHBondContact O-N 3.18Å |
| 386 | I | 47.9 | Very low | 50.4 | Low | 95 Ų | 95 | 85.2 Ų | 85.2 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -81.2 | -41.6 | -180 | -60 | 173.1 | 0 | 0 | 0 | 111 | F383 K384 L389 L390 | F383-I386 PolarHBondContact O-N 3.43Å; F383-I386 VanDerWaalsContact O-N 3.13Å; K384-I386 PolarHBondContact O-N 3.04Å; I386-L389 PolarHBondContact O-N 2.89Å; I386-L390 HydrophobicContact CG2-CD1 4.03Å; I386-L390 PolarHBondContact O-N 2.97Å; I386-L390 VanDerWaalsContact O-N 3.15Å |
| 387 | K | 44.7 | Very low | 48.9 | Very low | 65 Ų | 65 | 88.6 Ų | 88.6 | 28% | 0.283 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 173 | -99.8 | 177.7 | 171.4 | 172.5 | 0 | 109.9 | D379 F383 L389 L390 T391 D451 | D379-K387 VanDerWaalsContact CG-NZ 3.25Å; D379-K387 IonicContact OD1-NZ 2.69Å; D379-K387 PolarHBondContact OD1-NZ 3.45Å; D379-K387 IonicContact OD2-NZ 3.24Å; D379-K387 PolarHBondContact OD2-NZ 3.42Å; F383-K387 WeakPolarHBondContact O-CB 3.39Å; F383-K387 PolarHBondContact O-N 3.39Å; K387-L389 PolarHBondContact O-N 3.37Å; K387-L390 CarbonylContact O-C 3.58Å; K387-L390 PolarHBondContact O-N 3.43Å; K387-T391 PolarHBondContact O-N 3.34Å; K387-T391 PolarHBondContact O-OG1 3.35Å; K387-D451 IonicContact NZ-OD1 3.62Å |
| 388 | N | 46.8 | Very low | 48.1 | Very low | 72 Ų | 72 | 88.4 Ų | 88.4 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -27.2 | 177 | -71.9 | 1 | 0 | 0 | 0 | 113.3 | K384 T391 | K384-N388 WeakPolarHBondContact O-CB 3.43Å; K384-N388 PolarHBondContact O-N 2.9Å; K384-N388 PolarHBondContact O-OD1 3.1Å; N388-T391 VanDerWaalsContact O-O 3.07Å |
| 389 | L | 47.7 | Very low | 48.4 | Very low | 156 Ų | 156 | 89.2 Ų | 89.2 | 82% | 0.817 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -76.4 | -28.7 | 174.8 | -150.6 | 110.4 | 0 | 0 | 0 | 112.6 | G385 I386 K387 | G385-L389 PolarHBondContact O-N 3.18Å; I386-L389 PolarHBondContact O-N 2.89Å; K387-L389 PolarHBondContact O-N 3.37Å |
| 390 | L | 47.2 | Very low | 49.5 | Very low | 141 Ų | 141 | 87.5 Ų | 87.5 | 74% | 0.738 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -93.6 | -27 | -179 | -82 | 156.6 | 0 | 0 | 0 | 113.4 | I386 K387 | I386-L390 HydrophobicContact CG2-CD1 4.03Å; I386-L390 PolarHBondContact O-N 2.97Å; I386-L390 VanDerWaalsContact O-N 3.15Å; K387-L390 CarbonylContact O-C 3.58Å; K387-L390 PolarHBondContact O-N 3.43Å |
| 391 | T | 40.4 | Very low | 51.3 | Low | 47 Ų | 47 | 87.1 Ų | 87.1 | 29% | 0.288 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -115 | 114.5 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 109.1 | K387 N388 S393 | K387-T391 PolarHBondContact O-N 3.34Å; K387-T391 PolarHBondContact O-OG1 3.35Å; N388-T391 VanDerWaalsContact O-O 3.07Å; T391-S393 PolarHBondContact O-N 3.13Å |
| 392 | T | 43.4 | Very low | 53.4 | Low | 152 Ų | 152 | 81.1 Ų | 81.1 | 93% | 0.933 | 43% | 0.432 | S | S | * | . | trans | -67.3 | 27.5 | 176 | 46.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 393 | S | 36.7 | Very low | 55.6 | Low | 52 Ų | 52 | 79.6 Ų | 79.6 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | trans | -107.2 | 113.8 | 173.3 | 49.8 | 0 | 0 | 0 | 0 | 108.7 | T391 E395 | T391-S393 PolarHBondContact O-N 3.13Å; S393-E395 PolarHBondContact O-N 3.04Å | ||
| 394 | D | 42.6 | Very low | 57.8 | Low | 159 Ų | 159 | 74.8 Ų | 74.8 | 85% | 0.85 | 40% | 0.395 | S | S | * | . | trans | -68.6 | 14.1 | 173.7 | -71 | -40.4 | 0 | 0 | 0 | 113.5 | E396 | D394-E396 PolarHBondContact O-N 3.33Š| ||
| 395 | E | 41.6 | Very low | 60.1 | Low | 162 Ų | 162 | 75 Ų | 75 | 76% | 0.757 | 40% | 0.397 | S | S | * | . | trans | -84.1 | 110.8 | -178.7 | -70.1 | -172.7 | 168.8 | 0 | 0 | 110.3 | S393 K397 | S393-E395 PolarHBondContact O-N 3.04Å; E395-K397 PolarHBondContact O-N 3.07Å | ||
| 396 | E | 45.7 | Very low | 62.1 | Low | 143 Ų | 143 | 72.8 Ų | 72.8 | 67% | 0.668 | 38% | 0.375 | S | S | * | . | trans | -59.5 | 92.5 | 170 | -66.4 | 176 | 162.2 | 0 | 0 | 109.7 | D394 E398 | D394-E396 PolarHBondContact O-N 3.33Å; E396-E398 VanDerWaalsContact C-N 3.33Å; E396-E398 HydrophobicContact CB-CG 4.47Å; E396-E398 PolarHBondContact O-N 2.63Å | ||
| 397 | K | 52.1 | Low | 64 | Low | 72 Ų | 72 | 69.4 Ų | 69.4 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | trans | -72.8 | 88.1 | 174.3 | -133.6 | -168.3 | 179.4 | -152.9 | 0 | 108.8 | E395 D401 | E395-K397 PolarHBondContact O-N 3.07Å; K397-D401 WeakPolarHBondContact CE-OD2 3.41Å; K397-D401 IonicContact NZ-OD1 2.75Å; K397-D401 IonicContact NZ-OD2 3.6Å; K397-D401 PolarHBondContact NZ-OD2 3.02Å | ||
| 398 | E | 59.8 | Low | 66 | Low | 74 Ų | 74 | 66.5 Ų | 66.5 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | trans | -85.5 | -27.1 | -179.5 | -70.6 | -162.3 | 141.5 | 0 | 0 | 113.8 | R377 E396 | R377-E398 WeakPolarHBondContact CG-O 3.44Å; E396-E398 VanDerWaalsContact C-N 3.33Å; E396-E398 HydrophobicContact CB-CG 4.47Å; E396-E398 PolarHBondContact O-N 2.63Å | ||
| 399 | F | 75.3 | Confident | 67.3 | Low | 66 Ų | 66 | 63.3 Ų | 63.3 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -114.8 | 158 | -173.3 | -61.1 | -73.5 | 0 | 0 | 0 | 111.6 | D422 | F399-D422 HydrophobicContact CD1-CB 3.91Å; F399-D422 HydrophobicContact CE1-CB 4.33Å; F399-D422 WeakPolarHBondContact CE1-OD2 3.45Å |
| 400 | V | 82.2 | Confident | 68.3 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | trans | -70.3 | 158.8 | 176.3 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | L375 P376 M378 P402 G420 T421 D449 I459 | L375-V400 HydrophobicContact CB-CG2 4.07Å; L375-V400 HydrophobicContact CD1-CG2 4.33Å; P376-V400 WeakPolarHBondContact O-CG1 3.37Å; M378-V400 HydrophobicContact CB-CG1 4.13Å; M378-V400 HydrophobicContact CG-CG1 3.51Å; V400-P402 HydrophobicContact CG2-CB 4.48Å; V400-P402 HydrophobicContact CG2-CG 4.35Å; V400-P402 WeakPolarHBondContact O-CD 3.38Å; V400-G420 PolarHBondContact O-N 3.04Å; V400-T421 WeakPolarHBondContact CG2-O 3.25Å; V400-T421 PolarHBondContact O-N 3.19Å; V400-D449 HydrophobicContact CB-CB 4.32Å; V400-D449 HydrophobicContact CG1-CB 4.16Å; V400-D449 WeakPolarHBondContact CG1-OD2 3.41Å; V400-I459 HydrophobicContact CB-CD1 4.11Å; V400-I459 HydrophobicContact CG1-CD1 4.18Å; V400-I459 HydrophobicContact CG2-CD1 4.18Å | ||
| 401 | D | 86.7 | Confident | 69.9 | Low | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | trans | -106.2 | 70.9 | 169.4 | -67.8 | -20.6 | 0 | 0 | 0 | 110.5 | K397 T417 K418 Y419 G420 D449 W450 | K397-D401 WeakPolarHBondContact CE-OD2 3.41Å; K397-D401 IonicContact NZ-OD1 2.75Å; K397-D401 IonicContact NZ-OD2 3.6Å; K397-D401 PolarHBondContact NZ-OD2 3.02Å; D401-T417 HydrophobicContact CB-CG2 4.13Å; D401-K418 CarbonylContact C-O 3.51Å; D401-K418 WeakPolarHBondContact CA-O 3.16Å; D401-Y419 HydrophobicContact CB-CD1 4.16Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.41Å; D401-G420 PolarHBondContact OD1-N 3.11Å; D401-D449 PolarHBondContact N-OD1 2.79Å; D401-W450 HydrophobicContact CB-CB 3.98Å; D401-W450 WeakPolarHBondContact O-CB 3.05Å; D401-W450 PolarHBondContact O-N 3.39Å | ||
| 402 | P | 92.2 | Very high | 72.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 141.2 | -164.7 | 29.7 | -37.9 | 0 | 0 | 0 | 113 | L375 V400 K418 T421 P424 W426 F448 I459 | L375-P402 HydrophobicContact CD1-CB 3.65Å; L375-P402 HydrophobicContact CD1-CG 3.88Å; V400-P402 HydrophobicContact CG2-CB 4.48Å; V400-P402 HydrophobicContact CG2-CG 4.35Å; V400-P402 WeakPolarHBondContact O-CD 3.38Å; P402-K418 WeakPolarHBondContact CD-O 3.42Å; P402-K418 HydrophobicContact CG-CB 4.44Å; P402-K418 VanDerWaalsContact N-O 3.17Å; P402-K418 PolarHBondContact O-N 2.75Å; P402-T421 WeakPolarHBondContact CD-O 3.22Å; P402-T421 HydrophobicContact CG-CG2 4.45Å; P402-P424 HydrophobicContact CB-CG 4.2Å; P402-P424 HydrophobicContact CG-CB 3.59Å; P402-P424 HydrophobicContact CG-CG 3.53Å; P402-W426 HydrophobicContact CB-CH2 4.38Å; P402-W426 HydrophobicContact CB-CZ2 4.08Å; P402-W426 HydrophobicContact CG-CZ2 4.34Å; P402-F448 VanDerWaalsContact CA-O 3.3Å; P402-F448 WeakPolarHBondContact CA-O 3.23Å; P402-I459 HydrophobicContact CB-CD1 4.2Å |
| 403 | Y | 93.8 | Very high | 74.3 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 8% | 0.078 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151.5 | 159.6 | 69.4 | -92.4 | 0 | 0 | 0 | 110.7 | K414 F447 F448 W450 N456 | Y403-K414 HydrophobicContact CD2-CD 3.86Å; Y403-K414 HydrophobicContact CD2-CG 3.5Å; Y403-K414 VanDerWaalsContact CD2-CG 3.5Å; Y403-K414 HydrophobicContact CE2-CD 3.95Å; Y403-K414 HydrophobicContact CE2-CG 3.87Å; Y403-K414 HydrophobicContact CG-CD 4.4Å; Y403-K414 VanDerWaalsContact CG-CE 3.43Å; Y403-K414 HydrophobicContact CG-CG 4.28Å; Y403-F447 WeakPolarHBondContact O-CA 3.46Å; Y403-F448 HydrophobicContact CD1-CB 4.05Å; Y403-F448 HydrophobicContact CD2-CB 4.4Å; Y403-F448 HydrophobicContact CE1-CB 3.45Å; Y403-F448 VanDerWaalsContact CE1-CB 3.45Å; Y403-F448 HydrophobicContact CE1-CG 4.39Å; Y403-F448 HydrophobicContact CE2-CB 3.83Å; Y403-F448 AromaticContact CE2-CD2 3.79Å; Y403-F448 HydrophobicContact CE2-CD2 3.79Å; Y403-F448 HydrophobicContact CE2-CG 4.1Å; Y403-F448 AromaticContact CZ-CD2 3.95Å; Y403-F448 AromaticContact CZ-CG 3.78Å; Y403-F448 PolarHBondContact N-O 3.3Å; Y403-F448 PolarHBondContact O-N 2.82Å; Y403-F448 WeakPolarHBondContact OH-CB 3.29Å; Y403-W450 HydrophobicContact CD1-CB 4.05Å; Y403-W450 HydrophobicContact CE1-CB 4.16Å; Y403-N456 HydrophobicContact CE1-CB 4.27Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.2Å; Y403-N456 PolarHBondContact OH-ND2 3.24Å |
| 404 | A | 93.2 | Very high | 77 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 136.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L369 K414 S415 F447 | L369-A404 HydrophobicContact CD2-CB 3.67Å; A404-K414 WeakPolarHBondContact O-CA 3.21Å; A404-S415 PolarHBondContact N-OG 3.3Å; A404-S415 PolarHBondContact O-N 3.06Å; A404-F447 HydrophobicContact CB-CD1 4.01Å; A404-F447 HydrophobicContact CB-CE1 3.5Å; A404-F447 HydrophobicContact CB-CZ 3.91Å |
| 405 | L | 93 | Very high | 79.4 | Confident | 44 Ų | 44 | 44.4 Ų | 44.4 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 105 | 167 | -171.7 | 70.7 | 0 | 0 | 0 | 108.4 | K414 T446 F448 | L405-K414 HydrophobicContact CD1-CB 4.27Å; L405-T446 PolarHBondContact N-O 3.07Å; L405-T446 PolarHBondContact O-N 3.23Å; L405-F448 HydrophobicContact CB-CD2 4.16Å; L405-F448 HydrophobicContact CB-CE2 3.93Å; L405-F448 HydrophobicContact CD2-CE2 3.83Å |
| 406 | V | 91.9 | Very high | 81.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | I367 S412 I413 I430 M432 L443 K444 F445 | I367-V406 HydrophobicContact CD1-CG1 3.6Å; V406-S412 CarbonylContact O-C 3.45Å; V406-S412 VanDerWaalsContact O-CA 3.23Å; V406-S412 WeakPolarHBondContact O-CA 3.39Å; V406-I413 PolarHBondContact N-O 3.41Å; V406-I413 PolarHBondContact O-N 3.14Å; V406-I430 HydrophobicContact CG2-CD1 3.71Å; V406-M432 HydrophobicContact CB-CE 4.09Å; V406-M432 HydrophobicContact CG1-CE 3.68Å; V406-L443 HydrophobicContact CG1-CD1 3.88Å; V406-K444 CarbonylContact C-O 3.49Å; V406-K444 WeakPolarHBondContact CA-O 3.17Å; V406-F445 HydrophobicContact CB-CD1 4.5Å; V406-F445 HydrophobicContact CG1-CD1 4.23Å; V406-F445 HydrophobicContact CG1-CE1 3.88Å; V406-F445 HydrophobicContact CG2-CD1 3.87Å; V406-F445 HydrophobicContact CG2-CE1 3.97Å |
| 407 | S | 87.5 | Confident | 83.9 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 17% | 0.168 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.1 | -178.5 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | K411 S412 K444 | S407-K411 CarbonylContact C-O 3.53Å; S407-K411 VanDerWaalsContact CA-O 3.24Å; S407-K411 WeakPolarHBondContact CA-O 3.36Å; S407-S412 PolarHBondContact OG-OG 3.37Å; S407-S412 VanDerWaalsContact OG-OG 3.07Å; S407-K444 PolarHBondContact N-O 3.13Å; S407-K444 PolarHBondContact O-N 2.68Å |
| 408 | F | 85.3 | Confident | 85.7 | 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 | -156.9 | 135.5 | 179.2 | -172.2 | -114 | 0 | 0 | 0 | 110.3 | F365 G410 K411 M432 I434 S438 C440 L443 I466 | F365-F408 HydrophobicContact CD2-CD1 4.22Å; F365-F408 HydrophobicContact CD2-CE1 4.19Å; F365-F408 AromaticContact CE2-CD1 3.84Å; F365-F408 HydrophobicContact CE2-CD1 3.84Å; F365-F408 HydrophobicContact CE2-CD2 4.46Å; F365-F408 AromaticContact CE2-CE1 3.43Å; F365-F408 HydrophobicContact CE2-CE1 3.43Å; F365-F408 VanDerWaalsContact CE2-CE1 3.43Å; F365-F408 HydrophobicContact CE2-CE2 4.12Å; F365-F408 HydrophobicContact CE2-CG 4.32Å; F365-F408 AromaticContact CE2-CZ 3.57Å; F365-F408 HydrophobicContact CE2-CZ 3.57Å; F365-F408 HydrophobicContact CZ-CE1 4.13Å; F365-F408 HydrophobicContact CZ-CZ 4.06Å; F408-G410 VanDerWaalsContact C-N 3.25Å; F408-G410 PolarHBondContact O-N 3.11Å; F408-G410 VanDerWaalsContact O-N 3.15Å; F408-K411 PolarHBondContact N-O 2.7Å; F408-K411 WeakPolarHBondContact O-CB 3.3Å; F408-K411 PolarHBondContact O-N 3Å; F408-M432 HydrophobicContact CB-SD 3.73Å; F408-M432 HydrophobicContact CD1-SD 4.5Å; F408-I434 HydrophobicContact CD1-CG2 3.82Å; F408-I434 HydrophobicContact CE1-CG2 3.96Å; F408-S438 WeakPolarHBondContact CE1-OG 3.13Å; F408-S438 VanDerWaalsContact CZ-CB 3.46Å; F408-S438 WeakPolarHBondContact CZ-OG 3.3Å; F408-C440 HydrophobicContact CD2-CB 3.93Å; F408-C440 HydrophobicContact CE1-CB 4.29Å; F408-C440 HydrophobicContact CE2-CB 3.53Å; F408-C440 VanDerWaalsContact CE2-O 3.24Å; F408-C440 WeakPolarHBondContact CE2-O 3.29Å; F408-C440 HydrophobicContact CG-CB 4.48Å; F408-C440 HydrophobicContact CZ-CB 3.74Å; F408-C440 WeakPolarHBondContact CZ-O 2.95Å; F408-L443 HydrophobicContact CB-CD1 3.64Å; F408-L443 HydrophobicContact CD2-CB 3.96Å; F408-L443 HydrophobicContact CD2-CD1 4Å; F408-L443 HydrophobicContact CE2-CB 4.37Å; F408-L443 HydrophobicContact CG-CD1 4.01Å; F408-I466 HydrophobicContact CE2-CD1 3.99Å; F408-I466 HydrophobicContact CE2-CG1 3.71Å; F408-I466 HydrophobicContact CZ-CD1 4.28Å; F408-I466 HydrophobicContact CZ-CG1 4.03Å |
| 409 | A | 74.1 | Confident | 87 | Confident | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E349 K411 C440 | E349-A409 HydrophobicContact CG-CB 4.26Å; A409-K411 PolarHBondContact O-N 3.5Å; A409-C440 HydrophobicContact CB-CB 3.78Å; A409-C440 PolarHBondContact N-SG 2.74Å; A409-C440 VanDerWaalsContact N-SG 3.41Å |
| 410 | G | 70.1 | Confident | 87.3 | Confident | 65 Ų | 65 | 34.9 Ų | 34.9 | 67% | 0.67 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -11.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F408 | F408-G410 VanDerWaalsContact C-N 3.25Å; F408-G410 PolarHBondContact O-N 3.11Å; F408-G410 VanDerWaalsContact O-N 3.15Å |
| 411 | K | 80.8 | Confident | 87.5 | Confident | 56 Ų | 56 | 36.5 Ų | 36.5 | 24% | 0.243 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 148.9 | 173.9 | -59.7 | -176.1 | -172.5 | 178 | 0 | 110.8 | E349 S407 F408 A409 N433 | E349-K411 IonicContact OE2-NZ 3.47Å; S407-K411 CarbonylContact C-O 3.53Å; S407-K411 VanDerWaalsContact CA-O 3.24Å; S407-K411 WeakPolarHBondContact CA-O 3.36Å; F408-K411 PolarHBondContact N-O 2.7Å; F408-K411 WeakPolarHBondContact O-CB 3.3Å; F408-K411 PolarHBondContact O-N 3Å; A409-K411 PolarHBondContact O-N 3.5Å; K411-N433 PolarHBondContact NZ-O 3.39Å |
| 412 | S | 85.6 | Confident | 87.4 | Confident | 73 Ų | 73 | 37.4 Ų | 37.4 | 51% | 0.51 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 125.5 | 172.8 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | V406 S407 | V406-S412 CarbonylContact O-C 3.45Å; V406-S412 VanDerWaalsContact O-CA 3.23Å; V406-S412 WeakPolarHBondContact O-CA 3.39Å; S407-S412 PolarHBondContact OG-OG 3.37Å; S407-S412 VanDerWaalsContact OG-OG 3.07Å |
| 413 | I | 91 | Very high | 87.3 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 9% | 0.092 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.3 | 177 | -58.1 | 172 | 0 | 0 | 0 | 108.8 | V406 I430 M432 D559 V561 | V406-I413 PolarHBondContact N-O 3.41Å; V406-I413 PolarHBondContact O-N 3.14Å; I413-I430 HydrophobicContact CB-CG2 4.05Å; I413-I430 HydrophobicContact CD1-CG2 4.08Å; I413-I430 HydrophobicContact CG2-CG2 3.74Å; I413-M432 HydrophobicContact CB-CE 4.26Å; I413-M432 HydrophobicContact CD1-CB 3.74Å; I413-M432 HydrophobicContact CD1-CE 3.72Å; I413-M432 HydrophobicContact CD1-CG 3.8Å; I413-M432 HydrophobicContact CG1-CE 3.92Å; I413-D559 HydrophobicContact CD1-CB 3.8Å; I413-D559 HydrophobicContact CG1-CB 4.47Å; I413-V561 HydrophobicContact CG2-CG2 3.5Å; I413-V561 VanDerWaalsContact CG2-CG2 3.5Å |
| 414 | K | 92.1 | Very high | 87.3 | Confident | 90 Ų | 90 | 39.9 Ų | 39.9 | 39% | 0.391 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.7 | -177.8 | -169.8 | -168.9 | 161.7 | 174.4 | 0 | 110.5 | Y403 A404 L405 | Y403-K414 HydrophobicContact CD2-CD 3.86Å; Y403-K414 HydrophobicContact CD2-CG 3.5Å; Y403-K414 VanDerWaalsContact CD2-CG 3.5Å; Y403-K414 HydrophobicContact CE2-CD 3.95Å; Y403-K414 HydrophobicContact CE2-CG 3.87Å; Y403-K414 HydrophobicContact CG-CD 4.4Å; Y403-K414 VanDerWaalsContact CG-CE 3.43Å; Y403-K414 HydrophobicContact CG-CG 4.28Å; A404-K414 WeakPolarHBondContact O-CA 3.21Å; L405-K414 HydrophobicContact CD1-CB 4.27Å |
| 415 | S | 93.5 | Very high | 87.3 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | trans | -74 | 175.9 | 170.2 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | A404 W426 E428 | A404-S415 PolarHBondContact N-OG 3.3Å; A404-S415 PolarHBondContact O-N 3.06Å; S415-W426 PolarHBondContact OG-NE1 3.46Å; S415-E428 WeakPolarHBondContact CB-OE2 3.07Å | ||
| 416 | S | 90.9 | Very high | 87.4 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -63.6 | 152.9 | 163.5 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | K418 W426 E428 | S416-K418 VanDerWaalsContact OG-CE 3.32Å; S416-K418 WeakPolarHBondContact OG-CE 3.24Å; S416-W426 VanDerWaalsContact O-CD1 3.27Å; S416-W426 PolarHBondContact O-NE1 2.97Å; S416-E428 WeakPolarHBondContact CB-OE1 3.1Å; S416-E428 PolarHBondContact N-OE2 3.36Å; S416-E428 VanDerWaalsContact OG-CD 3.26Å; S416-E428 PolarHBondContact OG-OE1 3.35Å; S416-E428 PolarHBondContact OG-OE2 2.92Å |
| 417 | T | 90.8 | Very high | 87.5 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 129.1 | 172.3 | -62.6 | 0 | 0 | 0 | 0 | 109.1 | D401 Y419 W450 | D401-T417 HydrophobicContact CB-CG2 4.13Å; T417-Y419 HydrophobicContact CG2-CD1 4.21Å; T417-Y419 HydrophobicContact CG2-CE1 3.8Å; T417-Y419 HydrophobicContact CG2-CE2 4.48Å; T417-W450 HydrophobicContact CG2-CB 3.69Å; T417-W450 HydrophobicContact CG2-CG 4.1Å |
| 418 | K | 90.2 | Very high | 87.9 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 135.7 | 171.3 | -57.4 | -64.4 | 165.6 | 154.2 | 0 | 108 | D401 P402 S416 T421 P424 E425 | D401-K418 CarbonylContact C-O 3.51Å; D401-K418 WeakPolarHBondContact CA-O 3.16Å; P402-K418 WeakPolarHBondContact CD-O 3.42Å; P402-K418 HydrophobicContact CG-CB 4.44Å; P402-K418 VanDerWaalsContact N-O 3.17Å; P402-K418 PolarHBondContact O-N 2.75Å; S416-K418 VanDerWaalsContact OG-CE 3.32Å; S416-K418 WeakPolarHBondContact OG-CE 3.24Å; K418-T421 HydrophobicContact CB-CG2 3.93Å; K418-P424 HydrophobicContact CB-CB 3.93Å; K418-P424 HydrophobicContact CG-CB 3.93Å; K418-E425 WeakPolarHBondContact CE-O 3.43Å; K418-E425 PolarHBondContact NZ-O 3.15Å |
| 419 | Y | 86 | Confident | 88.4 | Confident | 155 Ų | 155 | 45.4 Ų | 45.4 | 61% | 0.608 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -103 | 133.6 | -172.3 | -60.3 | -82.1 | 0 | 0 | 0 | 111.1 | D401 T417 W450 | D401-Y419 HydrophobicContact CB-CD1 4.16Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.41Å; T417-Y419 HydrophobicContact CG2-CD1 4.21Å; T417-Y419 HydrophobicContact CG2-CE1 3.8Å; T417-Y419 HydrophobicContact CG2-CE2 4.48Å; Y419-W450 HydrophobicContact CD1-CE3 4.33Å; Y419-W450 HydrophobicContact CE1-CD2 4.39Å; Y419-W450 AromaticContact CE1-CE3 3.68Å; Y419-W450 HydrophobicContact CE1-CE3 3.68Å; Y419-W450 AromaticContact CE1-CZ3 3.8Å; Y419-W450 HydrophobicContact CE1-CZ3 3.8Å |
| 420 | G | 82.7 | Confident | 89.3 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 62.7 | 46.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V400 D401 | V400-G420 PolarHBondContact O-N 3.04Å; D401-G420 PolarHBondContact OD1-N 3.11Å |
| 421 | T | 85.5 | Confident | 90.4 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | trans | -148.5 | 137 | -179.5 | -177.5 | 0 | 0 | 0 | 0 | 113.3 | V400 P402 K418 H423 P424 | V400-T421 WeakPolarHBondContact CG2-O 3.25Å; V400-T421 PolarHBondContact O-N 3.19Å; P402-T421 WeakPolarHBondContact CD-O 3.22Å; P402-T421 HydrophobicContact CG-CG2 4.45Å; K418-T421 HydrophobicContact CB-CG2 3.93Å; T421-H423 PolarHBondContact OG1-N 2.82Å; T421-H423 VanDerWaalsContact OG1-N 3.12Å; T421-H423 PolarHBondContact OG1-O 3.08Å; T421-P424 HydrophobicContact CG2-CB 3.89Å | ||
| 422 | D | 84.8 | Confident | 90.8 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -90 | -10.6 | 169.4 | 54.3 | -11.5 | 0 | 0 | 0 | 113.7 | D374 L375 F399 P424 | D374-D422 PolarHBondContact N-O 3.03Å; L375-D422 HydrophobicContact CB-CB 4.4Å; L375-D422 WeakPolarHBondContact CB-O 3.48Å; L375-D422 WeakPolarHBondContact CG-O 3.41Å; L375-D422 PolarHBondContact N-O 2.91Å; L375-D422 VanDerWaalsContact N-O 3.11Å; L375-D422 WeakPolarHBondContact O-CB 3.4Å; F399-D422 HydrophobicContact CD1-CB 3.91Å; F399-D422 HydrophobicContact CE1-CB 4.33Å; F399-D422 WeakPolarHBondContact CE1-OD2 3.45Å; D422-P424 WeakPolarHBondContact O-CD 2.77Å |
| 423 | H | 91.2 | Very high | 90.8 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -122.3 | 65.7 | 174.6 | -60.9 | -86.1 | 0 | 0 | 0 | 110.5 | A372 E373 D374 T421 | A372-H423 CarbonylContact O-C 3.58Å; A372-H423 VanDerWaalsContact O-CA 3.26Å; A372-H423 WeakPolarHBondContact O-CA 3.09Å; E373-H423 WeakPolarHBondContact CA-ND1 3.47Å; E373-H423 WeakPolarHBondContact CB-ND1 3.44Å; D374-H423 PolarHBondContact N-CE1 2.91Å; D374-H423 PolarHBondContact N-ND1 2.87Å; D374-H423 IonicContact OD1-CE1 3.64Å; D374-H423 PolarHBondContact OD1-CE1 2.61Å; T421-H423 PolarHBondContact OG1-N 2.82Å; T421-H423 VanDerWaalsContact OG1-N 3.12Å; T421-H423 PolarHBondContact OG1-O 3.08Å |
| 424 | P | 93.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -68.5 | 134.3 | -177.5 | 29.1 | -37.8 | 0 | 0 | 0 | 112.5 | M371 A372 L375 P402 K418 T421 D422 W426 | M371-P424 CarbonylContact C-O 3.6Å; M371-P424 WeakPolarHBondContact CA-O 3.35Å; M371-P424 WeakPolarHBondContact CB-O 3.44Å; A372-P424 HydrophobicContact CB-CG 3.93Å; A372-P424 PolarHBondContact N-O 3.11Å; A372-P424 WeakPolarHBondContact O-CD 3.28Å; L375-P424 HydrophobicContact CD1-CG 3.71Å; P402-P424 HydrophobicContact CB-CG 4.2Å; P402-P424 HydrophobicContact CG-CB 3.59Å; P402-P424 HydrophobicContact CG-CG 3.53Å; K418-P424 HydrophobicContact CB-CB 3.93Å; K418-P424 HydrophobicContact CG-CB 3.93Å; T421-P424 HydrophobicContact CG2-CB 3.89Å; D422-P424 WeakPolarHBondContact O-CD 2.77Å; P424-W426 HydrophobicContact CB-CD2 4.48Å; P424-W426 HydrophobicContact CB-CE3 4.37Å; P424-W426 HydrophobicContact CB-CH2 3.74Å; P424-W426 HydrophobicContact CB-CZ2 3.85Å; P424-W426 HydrophobicContact CB-CZ3 4.02Å; P424-W426 HydrophobicContact CG-CE3 4.36Å; P424-W426 HydrophobicContact CG-CH2 3.21Å; P424-W426 HydrophobicContact CG-CZ2 3.8Å; P424-W426 HydrophobicContact CG-CZ3 3.56Å | ||
| 425 | E | 92.7 | Very high | 89.7 | Confident | 115 Ų | 115 | 34.3 Ų | 34.3 | 54% | 0.537 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109.5 | 168.5 | -64.7 | -176.3 | -175.4 | 0 | 0 | 109.6 | M371 K418 | M371-E425 HydrophobicContact CB-CG 4.11Å; M371-E425 HydrophobicContact CE-CG 4.48Å; K418-E425 WeakPolarHBondContact CE-O 3.43Å; K418-E425 PolarHBondContact NZ-O 3.15Å |
| 426 | W | 94.2 | Very high | 88.7 | Confident | 9 Ų | 9 | 35 Ų | 35 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -53.6 | 174 | -70.3 | -83 | 0 | 0 | 0 | 110.7 | L369 Y370 A372 P402 S415 S416 P424 E428 F447 | L369-W426 HydrophobicContact CD1-CE3 4.16Å; L369-W426 HydrophobicContact CD1-CZ3 4.48Å; L369-W426 HydrophobicContact CD2-CB 4.07Å; L369-W426 HydrophobicContact CD2-CD2 3.78Å; L369-W426 HydrophobicContact CD2-CE3 3.92Å; L369-W426 HydrophobicContact CD2-CG 3.83Å; L369-W426 HydrophobicContact CG-CB 4.11Å; L369-W426 HydrophobicContact CG-CD2 4.15Å; L369-W426 HydrophobicContact CG-CE3 3.87Å; L369-W426 HydrophobicContact CG-CG 4.26Å; Y370-W426 PolarHBondContact O-N 3.25Å; A372-W426 HydrophobicContact CB-CH2 3.98Å; A372-W426 HydrophobicContact CB-CZ3 3.62Å; P402-W426 HydrophobicContact CB-CH2 4.38Å; P402-W426 HydrophobicContact CB-CZ2 4.08Å; P402-W426 HydrophobicContact CG-CZ2 4.34Å; S415-W426 PolarHBondContact OG-NE1 3.46Å; S416-W426 VanDerWaalsContact O-CD1 3.27Å; S416-W426 PolarHBondContact O-NE1 2.97Å; P424-W426 HydrophobicContact CB-CD2 4.48Å; P424-W426 HydrophobicContact CB-CE3 4.37Å; P424-W426 HydrophobicContact CB-CH2 3.74Å; P424-W426 HydrophobicContact CB-CZ2 3.85Å; P424-W426 HydrophobicContact CB-CZ3 4.02Å; P424-W426 HydrophobicContact CG-CE3 4.36Å; P424-W426 HydrophobicContact CG-CH2 3.21Å; P424-W426 HydrophobicContact CG-CZ2 3.8Å; P424-W426 HydrophobicContact CG-CZ3 3.56Å; W426-E428 VanDerWaalsContact C-N 3.3Å; W426-E428 HydrophobicContact CB-CB 4.31Å; W426-E428 HydrophobicContact CB-CG 4.15Å; W426-F447 AromaticContact CH2-CD1 3.73Å; W426-F447 HydrophobicContact CH2-CD1 3.73Å; W426-F447 AromaticContact CH2-CE1 3.46Å; W426-F447 HydrophobicContact CH2-CE1 3.46Å; W426-F447 VanDerWaalsContact CH2-CE1 3.46Å; W426-F447 HydrophobicContact CZ2-CD1 4.28Å; W426-F447 HydrophobicContact CZ2-CE1 4.19Å; W426-F447 AromaticContact CZ3-CE1 3.84Å; W426-F447 HydrophobicContact CZ3-CE1 3.84Å |
| 427 | N | 94.5 | Very high | 87.7 | Confident | 37 Ų | 37 | 34 Ų | 34 | 20% | 0.198 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.7 | 55.2 | -167.8 | -62.1 | -50.3 | 0 | 0 | 0 | 110.9 | L369 Y370 L564 V569 | L369-N427 WeakPolarHBondContact O-CA 3.47Å; L369-N427 PolarHBondContact O-N 3Å; L369-N427 VanDerWaalsContact O-N 3.17Å; Y370-N427 PolarHBondContact O-N 3.44Å; N427-L564 VanDerWaalsContact C-CD1 3.47Å; N427-L564 VanDerWaalsContact C-CG 3.41Å; N427-L564 HydrophobicContact CB-CB 4.37Å; N427-L564 HydrophobicContact CB-CD1 4.18Å; N427-L564 WeakPolarHBondContact O-CB 2.88Å; N427-L564 WeakPolarHBondContact O-CG 3.32Å; N427-L564 PolarHBondContact O-N 3.43Å; N427-V569 HydrophobicContact CB-CG2 4.1Å |
| 428 | E | 96.4 | Very high | 86.8 | Confident | 22 Ų | 22 | 33 Ų | 33 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.3 | -177.5 | -71 | 177.7 | 165.8 | 0 | 0 | 111.5 | L369 S415 S416 W426 V561 K562 | L369-E428 PolarHBondContact N-O 3.4Å; L369-E428 PolarHBondContact O-N 3.24Å; S415-E428 WeakPolarHBondContact CB-OE2 3.07Å; S416-E428 WeakPolarHBondContact CB-OE1 3.1Å; S416-E428 PolarHBondContact N-OE2 3.36Å; S416-E428 VanDerWaalsContact OG-CD 3.26Å; S416-E428 PolarHBondContact OG-OE1 3.35Å; S416-E428 PolarHBondContact OG-OE2 2.92Å; W426-E428 VanDerWaalsContact C-N 3.3Å; W426-E428 HydrophobicContact CB-CB 4.31Å; W426-E428 HydrophobicContact CB-CG 4.15Å; E428-V561 HydrophobicContact CB-CG1 4.15Å; E428-V561 HydrophobicContact CG-CG1 4.36Å; E428-K562 CarbonylContact C-O 3.6Å; E428-K562 WeakPolarHBondContact CA-O 3.42Å |
| 429 | E | 94.7 | Very high | 85.7 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 112.8 | 167.6 | -176.2 | 170.9 | 125.2 | 0 | 0 | 108.2 | L368 V561 K562 L564 K568 | L368-E429 HydrophobicContact CD2-CB 3.91Å; L368-E429 HydrophobicContact CD2-CG 3.66Å; L368-E429 WeakPolarHBondContact CD2-OE2 3.33Å; E429-V561 WeakPolarHBondContact O-CA 3.41Å; E429-K562 HydrophobicContact CB-CG 4.01Å; E429-K562 PolarHBondContact N-O 3.26Å; E429-K562 PolarHBondContact O-N 3.43Å; E429-K562 WeakPolarHBondContact OE1-CE 3.47Å; E429-K562 IonicContact OE1-NZ 2.75Å; E429-K562 PolarHBondContact OE1-NZ 3.34Å; E429-K562 IonicContact OE2-NZ 2.89Å; E429-L564 HydrophobicContact CB-CD2 3.77Å; E429-K568 IonicContact OE2-NZ 2.69Å; E429-K568 PolarHBondContact OE2-NZ 2.9Å |
| 430 | I | 94.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 109 | 171.8 | -59.9 | 174.1 | 0 | 0 | 0 | 106.8 | I367 L369 V406 I413 V561 | I367-I430 HydrophobicContact CB-CB 4.24Å; I367-I430 PolarHBondContact N-O 3.16Å; I367-I430 PolarHBondContact O-N 3.49Å; L369-I430 HydrophobicContact CD2-CD1 4.26Å; V406-I430 HydrophobicContact CG2-CD1 3.71Å; I413-I430 HydrophobicContact CB-CG2 4.05Å; I413-I430 HydrophobicContact CD1-CG2 4.08Å; I413-I430 HydrophobicContact CG2-CG2 3.74Å; I430-V561 HydrophobicContact CG1-CG1 4.24Å; I430-V561 HydrophobicContact CG1-CG2 4.18Å |
| 431 | T | 92.5 | Very high | 84.7 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.055 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.2 | 172.7 | -55.5 | 0 | 0 | 0 | 0 | 108.1 | I364 D559 L560 | I364-T431 HydrophobicContact CB-CG2 3.93Å; I364-T431 HydrophobicContact CD1-CG2 3.98Å; I364-T431 HydrophobicContact CG2-CG2 3.81Å; T431-D559 WeakPolarHBondContact O-CA 3.42Å; T431-L560 PolarHBondContact N-O 2.97Å; T431-L560 PolarHBondContact O-N 2.9Å; T431-L560 VanDerWaalsContact O-N 3.1Å |
| 432 | M | 89.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118 | 177.2 | -173.7 | 178 | -69.7 | 0 | 0 | 109.4 | I364 F365 V406 F408 I413 I434 | I364-M432 CarbonylContact C-O 3.59Å; I364-M432 VanDerWaalsContact CA-O 3.3Å; I364-M432 WeakPolarHBondContact CA-O 3.41Å; F365-M432 HydrophobicContact CB-CB 4.41Å; F365-M432 PolarHBondContact N-O 3.1Å; F365-M432 PolarHBondContact O-N 3.38Å; V406-M432 HydrophobicContact CB-CE 4.09Å; V406-M432 HydrophobicContact CG1-CE 3.68Å; F408-M432 HydrophobicContact CB-SD 3.73Å; F408-M432 HydrophobicContact CD1-SD 4.5Å; I413-M432 HydrophobicContact CB-CE 4.26Å; I413-M432 HydrophobicContact CD1-CB 3.74Å; I413-M432 HydrophobicContact CD1-CE 3.72Å; I413-M432 HydrophobicContact CD1-CG 3.8Å; I413-M432 HydrophobicContact CG1-CE 3.92Å; M432-I434 HydrophobicContact CG-CG2 4.17Å |
| 433 | N | 85 | Confident | 84.8 | Confident | 24 Ų | 24 | 27.1 Ų | 27.1 | 13% | 0.128 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126 | 174.8 | -177.4 | 18.1 | 0 | 0 | 0 | 110.2 | A363 K411 T557 D559 | A363-N433 PolarHBondContact O-OD1 3.43Å; K411-N433 PolarHBondContact NZ-O 3.39Å; N433-T557 WeakPolarHBondContact CB-O 3.38Å; N433-T557 VanDerWaalsContact CG-O 3.24Å; N433-T557 PolarHBondContact ND2-O 3.18Å; N433-D559 WeakPolarHBondContact CB-OD1 3.48Å; N433-D559 PolarHBondContact N-OD1 2.84Å |
| 434 | I | 82.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 164.1 | -178.1 | 61.3 | 161.5 | 0 | 0 | 0 | 109.8 | A363 F365 F408 M432 F436 | A363-I434 HydrophobicContact CB-CD1 4.35Å; A363-I434 HydrophobicContact CB-CG1 4.01Å; A363-I434 PolarHBondContact N-O 3.36Å; A363-I434 VanDerWaalsContact O-CG1 3.31Å; A363-I434 WeakPolarHBondContact O-CG1 2.93Å; A363-I434 PolarHBondContact O-N 3.31Å; F365-I434 HydrophobicContact CD1-CD1 3.54Å; F365-I434 HydrophobicContact CD2-CD1 3.99Å; F365-I434 HydrophobicContact CD2-CG2 4.17Å; F365-I434 HydrophobicContact CE1-CD1 3.38Å; F365-I434 HydrophobicContact CE2-CD1 3.87Å; F365-I434 HydrophobicContact CG-CD1 3.85Å; F365-I434 HydrophobicContact CZ-CD1 3.56Å; F408-I434 HydrophobicContact CD1-CG2 3.82Å; F408-I434 HydrophobicContact CE1-CG2 3.96Å; M432-I434 HydrophobicContact CG-CG2 4.17Å; I434-F436 HydrophobicContact CD1-CD2 4.41Å |
| 435 | Q | 77.8 | Confident | 84.7 | Confident | 40 Ų | 40 | 25.3 Ų | 25.3 | 19% | 0.187 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.6 | 166 | -60.3 | -65.1 | -69 | 0 | 0 | 109 | E349 L360 P437 S438 | E349-Q435 PolarHBondContact OE1-N 2.99Å; L360-Q435 HydrophobicContact CB-CB 3.87Å; L360-Q435 HydrophobicContact CD1-CB 3.65Å; L360-Q435 HydrophobicContact CG-CB 4.41Å; L360-Q435 PolarHBondContact O-OE1 3.2Å; Q435-P437 CarbonylContact O-C 3.58Å; Q435-S438 WeakPolarHBondContact O-CA 2.96Å; Q435-S438 PolarHBondContact O-N 3.47Å |
| 436 | F | 73.4 | Confident | 84.7 | Confident | 21 Ų | 21 | 20.1 Ų | 20.1 | 9% | 0.092 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140 | -176.7 | -165.4 | -91.9 | 0 | 0 | 0 | 113.4 | L360 R361 A363 I434 F472 L503 P504 T550 L552 | L360-F436 WeakPolarHBondContact CD2-O 3.35Å; R361-F436 PolarHBondContact N-O 2.89Å; R361-F436 PolarHBondContact O-N 3.04Å; A363-F436 HydrophobicContact CB-CB 3.54Å; A363-F436 HydrophobicContact CB-CG 4.35Å; I434-F436 HydrophobicContact CD1-CD2 4.41Å; F436-F472 HydrophobicContact CE1-CE1 4.16Å; F436-F472 AromaticContact CE1-CZ 3.96Å; F436-F472 HydrophobicContact CE1-CZ 3.96Å; F436-F472 HydrophobicContact CZ-CE1 4.28Å; F436-F472 AromaticContact CZ-CZ 3.69Å; F436-F472 HydrophobicContact CZ-CZ 3.69Å; F436-L503 HydrophobicContact CD1-CD2 4.35Å; F436-L503 HydrophobicContact CE1-CD2 3.47Å; F436-L503 VanDerWaalsContact CE1-CD2 3.47Å; F436-L503 HydrophobicContact CE2-CD2 4.44Å; F436-L503 HydrophobicContact CZ-CD2 3.53Å; F436-P504 VanDerWaalsContact CE2-CD 3.48Å; F436-P504 HydrophobicContact CE2-CG 3.78Å; F436-P504 HydrophobicContact CZ-CG 4.38Å; F436-T550 HydrophobicContact CD2-CG2 4.22Å; F436-T550 HydrophobicContact CE2-CG2 4.37Å; F436-L552 HydrophobicContact CB-CD2 4.04Å; F436-L552 HydrophobicContact CD1-CD2 3.72Å; F436-L552 HydrophobicContact CE1-CD2 4.46Å; F436-L552 HydrophobicContact CG-CD2 3.91Å |
| 437 | P | 70.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 19.7 Ų | 19.7 | 12% | 0.117 | 10% | 0.096 | C | C | . | . | S | Bend | cis | -63.6 | 144.9 | -6.3 | 25.8 | -32.3 | 0 | 0 | 0 | 111.9 | A317 Y320 Q435 F472 | A317-P437 VanDerWaalsContact CB-CD 3.48Å; A317-P437 HydrophobicContact CB-CG 3.46Å; A317-P437 VanDerWaalsContact CB-CG 3.46Å; Y320-P437 HydrophobicContact CE2-CB 4.37Å; Y320-P437 HydrophobicContact CE2-CG 4.14Å; Y320-P437 PolarHBondContact OH-O 3.41Å; Q435-P437 CarbonylContact O-C 3.58Å; P437-F472 HydrophobicContact CB-CZ 4.2Å |
| 438 | S | 70.1 | Confident | 84.4 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 3% | 0.028 | 9% | 0.092 | C | C | . | . | trans | -86 | 135 | -179.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | Q214 F408 Q435 C440 | Q214-S438 PolarHBondContact NE2-O 3.13Å; Q214-S438 PolarHBondContact OE1-O 3.13Å; Q214-S438 VanDerWaalsContact OE1-O 3.14Å; F408-S438 WeakPolarHBondContact CE1-OG 3.13Å; F408-S438 VanDerWaalsContact CZ-CB 3.46Å; F408-S438 WeakPolarHBondContact CZ-OG 3.3Å; Q435-S438 WeakPolarHBondContact O-CA 2.96Å; Q435-S438 PolarHBondContact O-N 3.47Å; S438-C440 VanDerWaalsContact C-N 3.28Å; S438-C440 PolarHBondContact O-N 3.16Å; S438-C440 PolarHBondContact OG-N 2.89Å | ||
| 439 | M | 68.3 | Low | 84 | Confident | 10 Ų | 10 | 18.5 Ų | 18.5 | 5% | 0.049 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -67.5 | -24.7 | 173.8 | -75.5 | -117.7 | -64.6 | 0 | 0 | 115.1 | W304 Y320 I348 L352 E441 | W304-M439 HydrophobicContact CB-CE 3.14Å; W304-M439 HydrophobicContact CB-SD 3.68Å; W304-M439 HydrophobicContact CD2-CE 3.58Å; W304-M439 HydrophobicContact CD2-SD 3.75Å; W304-M439 HydrophobicContact CE3-CE 4.26Å; W304-M439 HydrophobicContact CE3-SD 3.8Å; W304-M439 HydrophobicContact CG-CE 3.06Å; W304-M439 HydrophobicContact CG-SD 3.75Å; Y320-M439 VanDerWaalsContact CB-SD 3.6Å; Y320-M439 HydrophobicContact CD1-CG 3.42Å; Y320-M439 VanDerWaalsContact CD1-CG 3.42Å; Y320-M439 HydrophobicContact CD1-SD 3.03Å; Y320-M439 WeakPolarHBondContact CD1-SD 3.2Å; Y320-M439 HydrophobicContact CD2-CG 3.83Å; Y320-M439 HydrophobicContact CD2-SD 4Å; Y320-M439 HydrophobicContact CE1-CG 3.27Å; Y320-M439 HydrophobicContact CE1-SD 3.55Å; Y320-M439 VanDerWaalsContact CE1-SD 3.55Å; Y320-M439 HydrophobicContact CE2-CG 3.74Å; Y320-M439 HydrophobicContact CE2-SD 4.45Å; Y320-M439 HydrophobicContact CG-CG 3.66Å; Y320-M439 HydrophobicContact CG-SD 3.26Å; Y320-M439 VanDerWaalsContact CZ-CG 3.46Å; I348-M439 HydrophobicContact CG2-CB 3.58Å; I348-M439 HydrophobicContact CG2-CE 3.47Å; I348-M439 VanDerWaalsContact CG2-CE 3.47Å; I348-M439 HydrophobicContact CG2-CG 4.49Å; L352-M439 HydrophobicContact CB-CE 4.2Å; L352-M439 HydrophobicContact CD1-CE 3.92Å; L352-M439 HydrophobicContact CD1-CG 4.38Å; L352-M439 HydrophobicContact CD1-SD 3.79Å; L352-M439 HydrophobicContact CD2-CG 4.32Å; M439-E441 PolarHBondContact O-N 3.04Å |
| 440 | C | 72.7 | Confident | 83.5 | Confident | 13 Ų | 13 | 21.5 Ų | 21.5 | 9% | 0.088 | 10% | 0.099 | C | C | . | . | trans | -76.1 | 124.8 | -175.4 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | I348 F408 A409 S438 I466 | I348-C440 HydrophobicContact CD1-CB 4.09Å; F408-C440 HydrophobicContact CD2-CB 3.93Å; F408-C440 HydrophobicContact CE1-CB 4.29Å; F408-C440 HydrophobicContact CE2-CB 3.53Å; F408-C440 VanDerWaalsContact CE2-O 3.24Å; F408-C440 WeakPolarHBondContact CE2-O 3.29Å; F408-C440 HydrophobicContact CG-CB 4.48Å; F408-C440 HydrophobicContact CZ-CB 3.74Å; F408-C440 WeakPolarHBondContact CZ-O 2.95Å; A409-C440 HydrophobicContact CB-CB 3.78Å; A409-C440 PolarHBondContact N-SG 2.74Å; A409-C440 VanDerWaalsContact N-SG 3.41Å; S438-C440 VanDerWaalsContact C-N 3.28Å; S438-C440 PolarHBondContact O-N 3.16Å; S438-C440 PolarHBondContact OG-N 2.89Å; C440-I466 WeakPolarHBondContact O-CG1 2.94Å | ||
| 441 | E | 74.2 | Confident | 82.7 | Confident | 29 Ų | 29 | 22.4 Ų | 22.4 | 14% | 0.136 | 10% | 0.104 | C | C | . | . | trans | -84.5 | -25.6 | -177.6 | -179.4 | 51.2 | -148 | 0 | 0 | 112.7 | M439 S465 I466 S467 | M439-E441 PolarHBondContact O-N 3.04Å; E441-S465 CarbonylContact O-C 3.49Å; E441-S465 VanDerWaalsContact O-CA 3.29Å; E441-S465 WeakPolarHBondContact O-CA 3.39Å; E441-S465 WeakPolarHBondContact OE1-CB 3.09Å; E441-S465 PolarHBondContact OE1-OG 3.4Å; E441-I466 PolarHBondContact O-N 2.89Å; E441-I466 PolarHBondContact OE1-N 2.88Å; E441-S467 WeakPolarHBondContact OE1-CB 3.47Å; E441-S467 PolarHBondContact OE1-N 2.83Å; E441-S467 PolarHBondContact OE1-OG 3.2Å; E441-S467 PolarHBondContact OE2-N 3.2Å | ||
| 442 | K | 84.8 | Confident | 81.4 | Confident | 139 Ų | 139 | 31.7 Ų | 31.7 | 60% | 0.604 | 14% | 0.138 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 110.3 | -170.1 | -67.6 | -178.1 | -179.4 | 178 | 0 | 111.2 | V463 | K442-V463 HydrophobicContact CB-CG1 3.81Å; K442-V463 HydrophobicContact CD-CG1 4.2Å; K442-V463 HydrophobicContact CG-CG1 3.92Å |
| 443 | L | 88.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 115.4 | 166.4 | 177.8 | 61.9 | 0 | 0 | 0 | 108.8 | I367 V406 F408 F445 V463 I464 I466 L548 | I367-L443 HydrophobicContact CD1-CD1 4.41Å; I367-L443 HydrophobicContact CD1-CD2 4.34Å; V406-L443 HydrophobicContact CG1-CD1 3.88Å; F408-L443 HydrophobicContact CB-CD1 3.64Å; F408-L443 HydrophobicContact CD2-CB 3.96Å; F408-L443 HydrophobicContact CD2-CD1 4Å; F408-L443 HydrophobicContact CE2-CB 4.37Å; F408-L443 HydrophobicContact CG-CD1 4.01Å; L443-F445 HydrophobicContact CD1-CZ 4.38Å; L443-F445 HydrophobicContact CD2-CE2 3.94Å; L443-F445 HydrophobicContact CD2-CZ 3.63Å; L443-F445 HydrophobicContact CG-CE2 3.68Å; L443-F445 HydrophobicContact CG-CZ 3.69Å; L443-V463 WeakPolarHBondContact O-CA 3.01Å; L443-I464 HydrophobicContact CB-CB 4.42Å; L443-I464 PolarHBondContact N-O 2.84Å; L443-I464 PolarHBondContact O-N 2.81Å; L443-I466 HydrophobicContact CB-CD1 4.15Å; L443-L548 HydrophobicContact CD2-CD2 3.81Å |
| 444 | K | 90 | Very high | 78.6 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 15% | 0.148 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134 | -169.8 | -171.7 | 177.4 | -169.8 | 171.7 | 0 | 111.1 | E344 V406 S407 T461 V463 L532 | E344-K444 IonicContact OE1-NZ 2.63Å; E344-K444 PolarHBondContact OE1-NZ 3.39Å; V406-K444 CarbonylContact C-O 3.49Å; V406-K444 WeakPolarHBondContact CA-O 3.17Å; S407-K444 PolarHBondContact N-O 3.13Å; S407-K444 PolarHBondContact O-N 2.68Å; K444-T461 HydrophobicContact CD-CG2 4.21Å; K444-T461 HydrophobicContact CG-CG2 3.66Å; K444-V463 HydrophobicContact CG-CG2 4.32Å; K444-L532 WeakPolarHBondContact CE-O 3.3Å; K444-L532 PolarHBondContact NZ-O 2.95Å |
| 445 | F | 92.3 | Very high | 77.8 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 102.3 | 175.8 | -58.1 | -89.1 | 0 | 0 | 0 | 108.2 | I367 V406 L443 F447 T461 G462 I464 I511 L546 | I367-F445 HydrophobicContact CD1-CE1 4.35Å; I367-F445 HydrophobicContact CG2-CE1 4.01Å; V406-F445 HydrophobicContact CB-CD1 4.5Å; V406-F445 HydrophobicContact CG1-CD1 4.23Å; V406-F445 HydrophobicContact CG1-CE1 3.88Å; V406-F445 HydrophobicContact CG2-CD1 3.87Å; V406-F445 HydrophobicContact CG2-CE1 3.97Å; L443-F445 HydrophobicContact CD1-CZ 4.38Å; L443-F445 HydrophobicContact CD2-CE2 3.94Å; L443-F445 HydrophobicContact CD2-CZ 3.63Å; L443-F445 HydrophobicContact CG-CE2 3.68Å; L443-F445 HydrophobicContact CG-CZ 3.69Å; F445-F447 HydrophobicContact CB-CE2 4.01Å; F445-T461 CarbonylContact O-C 3.55Å; F445-T461 VanDerWaalsContact O-CA 3.31Å; F445-T461 WeakPolarHBondContact O-CA 3.24Å; F445-G462 PolarHBondContact N-O 3.29Å; F445-G462 PolarHBondContact O-N 2.94Å; F445-I464 HydrophobicContact CE2-CD1 3.57Å; F445-I464 HydrophobicContact CE2-CG1 3.85Å; F445-I464 HydrophobicContact CZ-CD1 4.1Å; F445-I511 HydrophobicContact CE2-CD1 4.46Å; F445-L546 HydrophobicContact CD1-CD2 3.8Å; F445-L546 HydrophobicContact CD2-CD2 4.3Å; F445-L546 HydrophobicContact CE1-CD2 3.59Å; F445-L546 HydrophobicContact CE2-CD2 4.11Å; F445-L546 HydrophobicContact CG-CD2 4.15Å; F445-L546 HydrophobicContact CZ-CD1 4.37Å; F445-L546 HydrophobicContact CZ-CD2 3.74Å |
| 446 | T | 92.2 | Very high | 77.9 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.1 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | L405 F448 T461 L532 | L405-T446 PolarHBondContact N-O 3.07Å; L405-T446 PolarHBondContact O-N 3.23Å; T446-F448 HydrophobicContact CG2-CD2 3.98Å; T446-F448 HydrophobicContact CG2-CE1 4.39Å; T446-F448 HydrophobicContact CG2-CE2 3.32Å; T446-F448 HydrophobicContact CG2-CZ 3.56Å; T446-T461 WeakPolarHBondContact CG2-OG1 3.21Å; T446-T461 PolarHBondContact OG1-OG1 3.24Å; T446-L532 HydrophobicContact CG2-CD2 4.41Å |
| 447 | F | 93.2 | Very high | 78.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.9 | 178.3 | -67.9 | -95.3 | 0 | 0 | 0 | 109.7 | Y403 A404 W426 F445 I459 G460 L513 V544 | Y403-F447 WeakPolarHBondContact O-CA 3.46Å; A404-F447 HydrophobicContact CB-CD1 4.01Å; A404-F447 HydrophobicContact CB-CE1 3.5Å; A404-F447 HydrophobicContact CB-CZ 3.91Å; W426-F447 AromaticContact CH2-CD1 3.73Å; W426-F447 HydrophobicContact CH2-CD1 3.73Å; W426-F447 AromaticContact CH2-CE1 3.46Å; W426-F447 HydrophobicContact CH2-CE1 3.46Å; W426-F447 VanDerWaalsContact CH2-CE1 3.46Å; W426-F447 HydrophobicContact CZ2-CD1 4.28Å; W426-F447 HydrophobicContact CZ2-CE1 4.19Å; W426-F447 AromaticContact CZ3-CE1 3.84Å; W426-F447 HydrophobicContact CZ3-CE1 3.84Å; F445-F447 HydrophobicContact CB-CE2 4.01Å; F447-I459 HydrophobicContact CB-CB 4.24Å; F447-I459 PolarHBondContact O-N 2.87Å; F447-G460 PolarHBondContact N-O 2.64Å; F447-L513 HydrophobicContact CD2-CD1 3.59Å; F447-L513 HydrophobicContact CD2-CD2 4Å; F447-L513 HydrophobicContact CD2-CG 4.48Å; F447-L513 HydrophobicContact CE2-CD1 4.01Å; F447-L513 HydrophobicContact CE2-CD2 3.99Å; F447-L513 HydrophobicContact CG-CD1 4.18Å; F447-V544 HydrophobicContact CE1-CG2 4.34Å; F447-V544 HydrophobicContact CE2-CB 4.13Å; F447-V544 HydrophobicContact CE2-CG1 3.93Å; F447-V544 HydrophobicContact CE2-CG2 4.48Å; F447-V544 HydrophobicContact CZ-CB 3.75Å; F447-V544 HydrophobicContact CZ-CG1 3.94Å; F447-V544 HydrophobicContact CZ-CG2 3.67Å |
| 448 | F | 90.5 | Very high | 79.1 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.4 | -177.1 | -72 | -88.8 | 0 | 0 | 0 | 110.6 | P402 Y403 L405 T446 N456 D457 P458 L532 | P402-F448 VanDerWaalsContact CA-O 3.3Å; P402-F448 WeakPolarHBondContact CA-O 3.23Å; Y403-F448 HydrophobicContact CD1-CB 4.05Å; Y403-F448 HydrophobicContact CD2-CB 4.4Å; Y403-F448 HydrophobicContact CE1-CB 3.45Å; Y403-F448 VanDerWaalsContact CE1-CB 3.45Å; Y403-F448 HydrophobicContact CE1-CG 4.39Å; Y403-F448 HydrophobicContact CE2-CB 3.83Å; Y403-F448 AromaticContact CE2-CD2 3.79Å; Y403-F448 HydrophobicContact CE2-CD2 3.79Å; Y403-F448 HydrophobicContact CE2-CG 4.1Å; Y403-F448 AromaticContact CZ-CD2 3.95Å; Y403-F448 AromaticContact CZ-CG 3.78Å; Y403-F448 PolarHBondContact N-O 3.3Å; Y403-F448 PolarHBondContact O-N 2.82Å; Y403-F448 WeakPolarHBondContact OH-CB 3.29Å; L405-F448 HydrophobicContact CB-CD2 4.16Å; L405-F448 HydrophobicContact CB-CE2 3.93Å; L405-F448 HydrophobicContact CD2-CE2 3.83Å; T446-F448 HydrophobicContact CG2-CD2 3.98Å; T446-F448 HydrophobicContact CG2-CE1 4.39Å; T446-F448 HydrophobicContact CG2-CE2 3.32Å; T446-F448 HydrophobicContact CG2-CZ 3.56Å; F448-N456 HydrophobicContact CB-CB 4.29Å; F448-N456 HydrophobicContact CD1-CB 4.3Å; F448-D457 CarbonylContact C-O 3.58Å; F448-D457 WeakPolarHBondContact CA-O 3.43Å; F448-P458 HydrophobicContact CD1-CB 4.14Å; F448-P458 HydrophobicContact CE1-CB 3.88Å; F448-L532 HydrophobicContact CE1-CD2 4.22Å; F448-L532 HydrophobicContact CZ-CD2 4.11Å |
| 449 | D | 87.5 | Confident | 80 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122 | 166.2 | -170.3 | 6.9 | 0 | 0 | 0 | 108.6 | M378 V400 D401 N456 D457 I459 | M378-D449 HydrophobicContact CG-CB 4.37Å; V400-D449 HydrophobicContact CB-CB 4.32Å; V400-D449 HydrophobicContact CG1-CB 4.16Å; V400-D449 WeakPolarHBondContact CG1-OD2 3.41Å; D401-D449 PolarHBondContact N-OD1 2.79Å; D449-N456 WeakPolarHBondContact O-CA 3.48Å; D449-N456 WeakPolarHBondContact O-CB 3.29Å; D449-D457 PolarHBondContact N-O 3.16Å; D449-D457 PolarHBondContact O-N 3.27Å; D449-I459 HydrophobicContact CB-CD1 4.15Å; D449-I459 HydrophobicContact CB-CG1 4.18Å |
| 450 | W | 84.6 | Confident | 80.9 | Confident | 69 Ų | 69 | 48 Ų | 48 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | trans | -80.4 | 122.3 | 177.9 | 179.8 | 80.5 | 0 | 0 | 0 | 111 | D401 Y403 T417 Y419 R452 | D401-W450 HydrophobicContact CB-CB 3.98Å; D401-W450 WeakPolarHBondContact O-CB 3.05Å; D401-W450 PolarHBondContact O-N 3.39Å; Y403-W450 HydrophobicContact CD1-CB 4.05Å; Y403-W450 HydrophobicContact CE1-CB 4.16Å; T417-W450 HydrophobicContact CG2-CB 3.69Å; T417-W450 HydrophobicContact CG2-CG 4.1Å; Y419-W450 HydrophobicContact CD1-CE3 4.33Å; Y419-W450 HydrophobicContact CE1-CD2 4.39Å; Y419-W450 AromaticContact CE1-CE3 3.68Å; Y419-W450 HydrophobicContact CE1-CE3 3.68Å; Y419-W450 AromaticContact CE1-CZ3 3.8Å; Y419-W450 HydrophobicContact CE1-CZ3 3.8Å; W450-R452 HydrophobicContact CH2-CB 3.88Å; W450-R452 HydrophobicContact CH2-CG 4.25Å; W450-R452 HydrophobicContact CZ3-CB 4.11Å | ||
| 451 | D | 76 | Confident | 81.8 | Confident | 19 Ų | 19 | 48 Ų | 48 | 10% | 0.102 | 23% | 0.23 | C | C | . | . | trans | -108 | 135.4 | 175.8 | -79.4 | -63.9 | 0 | 0 | 0 | 111.9 | K387 I453 N456 | K387-D451 IonicContact NZ-OD1 3.62Å; D451-I453 PolarHBondContact O-N 3Å; D451-N456 PolarHBondContact N-OD1 3.42Å | ||
| 452 | R | 64.7 | Low | 82.6 | Confident | 205 Ų | 205 | 46.7 Ų | 46.7 | 77% | 0.774 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -66.2 | -29.9 | 175.5 | -174.5 | 179.6 | -79.1 | -175.4 | -2.1 | 111.8 | W450 | W450-R452 HydrophobicContact CH2-CB 3.88Å; W450-R452 HydrophobicContact CH2-CG 4.25Å; W450-R452 HydrophobicContact CZ3-CB 4.11Å |
| 453 | I | 56.2 | Low | 82.8 | Confident | 136 Ų | 136 | 43.6 Ų | 43.6 | 70% | 0.697 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -139.1 | 119.2 | 179.5 | -57.6 | 174.7 | 0 | 0 | 0 | 107.6 | D451 | D451-I453 PolarHBondContact O-N 3Š|
| 454 | G | 61.7 | Low | 82.7 | Confident | 64 Ų | 64 | 44 Ų | 44 | 66% | 0.66 | 22% | 0.219 | S | C | * | . | S | Bend | trans | 124.5 | -168.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 455 | Y | 64.9 | Low | 82.5 | Confident | 153 Ų | 153 | 43.4 Ų | 43.4 | 60% | 0.6 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -88.6 | 145.9 | 166.3 | -63.9 | -85.1 | 0 | 0 | 0 | 108 | D457 | Y455-D457 PolarHBondContact O-N 2.91Š|
| 456 | N | 79.5 | Confident | 82.1 | Confident | 45 Ų | 45 | 43.6 Ų | 43.6 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 126.8 | 173 | -62.8 | -20.6 | 0 | 0 | 0 | 109 | Y403 F448 D449 D451 | Y403-N456 HydrophobicContact CE1-CB 4.27Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.2Å; Y403-N456 PolarHBondContact OH-ND2 3.24Å; F448-N456 HydrophobicContact CB-CB 4.29Å; F448-N456 HydrophobicContact CD1-CB 4.3Å; D449-N456 WeakPolarHBondContact O-CA 3.48Å; D449-N456 WeakPolarHBondContact O-CB 3.29Å; D451-N456 PolarHBondContact N-OD1 3.42Å |
| 457 | D | 81.7 | Confident | 81.3 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.3 | -175.3 | -68.2 | -30.4 | 0 | 0 | 0 | 111.3 | M378 F448 D449 Y455 I459 | M378-D457 HydrophobicContact CE-CB 3.74Å; F448-D457 CarbonylContact C-O 3.58Å; F448-D457 WeakPolarHBondContact CA-O 3.43Å; D449-D457 PolarHBondContact N-O 3.16Å; D449-D457 PolarHBondContact O-N 3.27Å; Y455-D457 PolarHBondContact O-N 2.91Å; D457-I459 PolarHBondContact O-N 2.65Å |
| 458 | P | 87.5 | Confident | 80.8 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.039 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 123 | 176.5 | 28.6 | -32.9 | 0 | 0 | 0 | 110.6 | F448 E528 N531 L532 | F448-P458 HydrophobicContact CD1-CB 4.14Å; F448-P458 HydrophobicContact CE1-CB 3.88Å; P458-E528 HydrophobicContact CG-CG 4.27Å; P458-N531 HydrophobicContact CB-CB 3.88Å; P458-N531 HydrophobicContact CG-CB 3.96Å; P458-N531 VanDerWaalsContact O-CB 3.26Å; P458-N531 WeakPolarHBondContact O-CB 3.39Å; P458-N531 PolarHBondContact O-ND2 2.8Å; P458-L532 HydrophobicContact CB-CD2 3.62Å; P458-L532 HydrophobicContact CB-CG 4.06Å; P458-L532 HydrophobicContact CG-CD2 3.93Å; P458-L532 HydrophobicContact CG-CG 3.99Å |
| 459 | I | 88.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -50.2 | 179.9 | -62.1 | 172.4 | 0 | 0 | 0 | 110.1 | L375 P376 V400 P402 F447 D449 D457 R541 | L375-I459 HydrophobicContact CD2-CG2 4.29Å; P376-I459 HydrophobicContact CG-CG2 3.7Å; V400-I459 HydrophobicContact CB-CD1 4.11Å; V400-I459 HydrophobicContact CG1-CD1 4.18Å; V400-I459 HydrophobicContact CG2-CD1 4.18Å; P402-I459 HydrophobicContact CB-CD1 4.2Å; F447-I459 HydrophobicContact CB-CB 4.24Å; F447-I459 PolarHBondContact O-N 2.87Å; D449-I459 HydrophobicContact CB-CD1 4.15Å; D449-I459 HydrophobicContact CB-CG1 4.18Å; D457-I459 PolarHBondContact O-N 2.65Å; I459-R541 PolarHBondContact O-NE 3.41Å; I459-R541 PolarHBondContact O-NH2 3Å |
| 460 | G | 88.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | 164.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F447 N531 | F447-G460 PolarHBondContact N-O 2.64Å; G460-N531 CarbonylContact C-O 3.57Å |
| 461 | T | 91.3 | Very high | 79.4 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135 | -177.4 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | K444 F445 T446 V463 N531 | K444-T461 HydrophobicContact CD-CG2 4.21Å; K444-T461 HydrophobicContact CG-CG2 3.66Å; F445-T461 CarbonylContact O-C 3.55Å; F445-T461 VanDerWaalsContact O-CA 3.31Å; F445-T461 WeakPolarHBondContact O-CA 3.24Å; T446-T461 WeakPolarHBondContact CG2-OG1 3.21Å; T446-T461 PolarHBondContact OG1-OG1 3.24Å; T461-V463 HydrophobicContact CG2-CG2 4.12Å; T461-N531 WeakPolarHBondContact CB-O 3.15Å; T461-N531 PolarHBondContact N-O 3.46Å; T461-N531 PolarHBondContact OG1-O 3.49Å |
| 462 | G | 89.7 | Confident | 78.5 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F445 L513 | F445-G462 PolarHBondContact N-O 3.29Å; F445-G462 PolarHBondContact O-N 2.94Å; G462-L513 VanDerWaalsContact N-CD2 3.34Å |
| 463 | V | 89.1 | Confident | 77.7 | Confident | 74 Ų | 74 | 42.4 Ų | 42.4 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132.9 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | K442 L443 K444 T461 | K442-V463 HydrophobicContact CB-CG1 3.81Å; K442-V463 HydrophobicContact CD-CG1 4.2Å; K442-V463 HydrophobicContact CG-CG1 3.92Å; L443-V463 WeakPolarHBondContact O-CA 3.01Å; K444-V463 HydrophobicContact CG-CG2 4.32Å; T461-V463 HydrophobicContact CG2-CG2 4.12Å |
| 464 | I | 87.6 | Confident | 77.1 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.6 | 169.2 | -56.2 | 175.3 | 0 | 0 | 0 | 108.3 | L443 F445 I469 F506 I511 L546 | L443-I464 HydrophobicContact CB-CB 4.42Å; L443-I464 PolarHBondContact N-O 2.84Å; L443-I464 PolarHBondContact O-N 2.81Å; F445-I464 HydrophobicContact CE2-CD1 3.57Å; F445-I464 HydrophobicContact CE2-CG1 3.85Å; F445-I464 HydrophobicContact CZ-CD1 4.1Å; I464-I469 HydrophobicContact CG2-CB 4.46Å; I464-I469 HydrophobicContact CG2-CD1 3.71Å; I464-I469 HydrophobicContact CG2-CG1 3.97Å; I464-I469 HydrophobicContact CG2-CG2 3.67Å; I464-F506 HydrophobicContact CD1-CB 4.5Å; I464-F506 HydrophobicContact CD1-CD1 4.06Å; I464-F506 HydrophobicContact CD1-CD2 4.25Å; I464-F506 HydrophobicContact CD1-CE1 4.36Å; I464-F506 HydrophobicContact CD1-CG 4.02Å; I464-I511 HydrophobicContact CD1-CD1 3.45Å; I464-I511 VanDerWaalsContact CD1-CD1 3.45Å; I464-I511 HydrophobicContact CG1-CD1 3.5Å; I464-L546 HydrophobicContact CD1-CD1 4.15Å |
| 465 | S | 86.1 | Confident | 76.1 | Confident | 23 Ų | 23 | 41 Ų | 41 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.2 | 173 | -139.9 | 0 | 0 | 0 | 0 | 109.5 | E441 S467 Q468 I469 | E441-S465 CarbonylContact O-C 3.49Å; E441-S465 VanDerWaalsContact O-CA 3.29Å; E441-S465 WeakPolarHBondContact O-CA 3.39Å; E441-S465 WeakPolarHBondContact OE1-CB 3.09Å; E441-S465 PolarHBondContact OE1-OG 3.4Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 3.37Å; S465-Q468 VanDerWaalsContact CB-CD 3.45Å; S465-Q468 WeakPolarHBondContact O-CB 3.48Å; S465-Q468 PolarHBondContact O-N 3.41Å; S465-Q468 VanDerWaalsContact O-N 3.09Å; S465-I469 PolarHBondContact O-N 2.94Å |
| 466 | I | 82.1 | Confident | 74.8 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -61.6 | -38.6 | -176.5 | -62.2 | -55.9 | 0 | 0 | 0 | 111.5 | F365 F408 C440 E441 L443 Q468 I469 S470 P504 | F365-I466 HydrophobicContact CE2-CD1 4.11Å; F365-I466 HydrophobicContact CZ-CD1 3.93Å; F408-I466 HydrophobicContact CE2-CD1 3.99Å; F408-I466 HydrophobicContact CE2-CG1 3.71Å; F408-I466 HydrophobicContact CZ-CD1 4.28Å; F408-I466 HydrophobicContact CZ-CG1 4.03Å; C440-I466 WeakPolarHBondContact O-CG1 2.94Å; E441-I466 PolarHBondContact O-N 2.89Å; E441-I466 PolarHBondContact OE1-N 2.88Å; L443-I466 HydrophobicContact CB-CD1 4.15Å; I466-Q468 PolarHBondContact O-N 3.05Å; I466-I469 HydrophobicContact CD1-CD1 4.2Å; I466-I469 WeakPolarHBondContact O-CG1 3.32Å; I466-I469 PolarHBondContact O-N 3.43Å; I466-I469 VanDerWaalsContact O-N 3.15Å; I466-S470 PolarHBondContact O-N 2.86Å; I466-S470 PolarHBondContact O-OG 3.15Å; I466-P504 HydrophobicContact CG2-CB 4.43Å; I466-P504 HydrophobicContact CG2-CG 3.91Å |
| 467 | S | 75.8 | Confident | 72.6 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -64.8 | -23.4 | 177.1 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | E441 S465 | E441-S467 WeakPolarHBondContact OE1-CB 3.47Å; E441-S467 PolarHBondContact OE1-N 2.83Å; E441-S467 PolarHBondContact OE1-OG 3.2Å; E441-S467 PolarHBondContact OE2-N 3.2Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 3.37Å |
| 468 | Q | 82.5 | Confident | 70.1 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -84.3 | -17.4 | 177.7 | -65 | 174.1 | -10.7 | 0 | 0 | 112.4 | S465 I466 M727 I775 P777 | S465-Q468 VanDerWaalsContact CB-CD 3.45Å; S465-Q468 WeakPolarHBondContact O-CB 3.48Å; S465-Q468 PolarHBondContact O-N 3.41Å; S465-Q468 VanDerWaalsContact O-N 3.09Å; I466-Q468 PolarHBondContact O-N 3.05Å; Q468-M727 WeakPolarHBondContact O-CE 3.36Å; Q468-I775 HydrophobicContact CG-CG2 3.99Å; Q468-P777 HydrophobicContact CB-CB 4.31Å |
| 469 | I | 85.2 | Confident | 67.3 | Low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -114.1 | 15.2 | -177 | 64.2 | 153.3 | 0 | 0 | 0 | 114 | I464 S465 I466 F502 P504 T505 F506 L548 M727 P777 | I464-I469 HydrophobicContact CG2-CB 4.46Å; I464-I469 HydrophobicContact CG2-CD1 3.71Å; I464-I469 HydrophobicContact CG2-CG1 3.97Å; I464-I469 HydrophobicContact CG2-CG2 3.67Å; S465-I469 PolarHBondContact O-N 2.94Å; I466-I469 HydrophobicContact CD1-CD1 4.2Å; I466-I469 WeakPolarHBondContact O-CG1 3.32Å; I466-I469 PolarHBondContact O-N 3.43Å; I466-I469 VanDerWaalsContact O-N 3.15Å; I469-F502 VanDerWaalsContact O-CE2 3.3Å; I469-F502 WeakPolarHBondContact O-CE2 3.36Å; I469-P504 HydrophobicContact CD1-CB 3.88Å; I469-P504 HydrophobicContact CG1-CB 4.27Å; I469-P504 VanDerWaalsContact O-CA 3.26Å; I469-P504 WeakPolarHBondContact O-CA 3.4Å; I469-T505 PolarHBondContact O-N 3.33Å; I469-F506 HydrophobicContact CD1-CB 4.3Å; I469-F506 HydrophobicContact CG2-CB 4.32Å; I469-F506 HydrophobicContact CG2-CD2 4.09Å; I469-L548 HydrophobicContact CD1-CD2 3.49Å; I469-L548 VanDerWaalsContact CD1-CD2 3.49Å; I469-M727 HydrophobicContact CB-CE 4.17Å; I469-M727 HydrophobicContact CG2-CE 4.16Å; I469-P777 HydrophobicContact CG2-CB 3.78Å; I469-P777 HydrophobicContact CG2-CG 3.92Å |
| 470 | S | 80.1 | Confident | 64.3 | Low | 16 Ų | 16 | 58.3 Ų | 58.3 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | trans | -145.7 | 157.2 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | I466 | I466-S470 PolarHBondContact O-N 2.86Å; I466-S470 PolarHBondContact O-OG 3.15Å | ||
| 471 | A | 67.8 | Low | 61.4 | Low | 20 Ų | 20 | 65.9 Ų | 65.9 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -144.9 | 131.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G501 F502 | A471-G501 CarbonylContact O-C 3.49Å; A471-G501 WeakPolarHBondContact O-CA 3.22Å; A471-F502 HydrophobicContact CB-CD1 3.71Å; A471-F502 HydrophobicContact CB-CE1 3.35Å; A471-F502 HydrophobicContact CB-CZ 4.02Å; A471-F502 PolarHBondContact N-O 3.41Å; A471-F502 PolarHBondContact O-N 3.43Å |
| 472 | F | 58.3 | Low | 58.3 | Low | 87 Ų | 87 | 72.9 Ų | 72.9 | 38% | 0.382 | 41% | 0.409 | S | S | . | . | trans | -105.3 | 121.4 | 172.9 | -66.6 | -87 | 0 | 0 | 0 | 108.9 | F436 P437 | F436-F472 HydrophobicContact CE1-CE1 4.16Å; F436-F472 AromaticContact CE1-CZ 3.96Å; F436-F472 HydrophobicContact CE1-CZ 3.96Å; F436-F472 HydrophobicContact CZ-CE1 4.28Å; F436-F472 AromaticContact CZ-CZ 3.69Å; F436-F472 HydrophobicContact CZ-CZ 3.69Å; P437-F472 HydrophobicContact CB-CZ 4.2Å | ||
| 473 | R | 47.8 | Very low | 55.1 | Low | 66 Ų | 66 | 76.8 Ų | 76.8 | 25% | 0.249 | 44% | 0.44 | C | S | . | . | trans | -115.1 | 148.3 | 168.9 | -160.5 | -179.4 | 178.2 | 166.3 | -4.5 | 110.4 | D477 N500 D737 | R473-D477 IonicContact NH2-OD2 3.73Å; R473-D477 PolarHBondContact NH2-OD2 2.96Å; R473-N500 HydrophobicContact CB-CB 4.17Å; R473-N500 WeakPolarHBondContact CB-O 3.21Å; R473-N500 HydrophobicContact CG-CB 4.4Å; R473-N500 PolarHBondContact NH1-ND2 2.98Å; R473-D737 IonicContact NH1-OD2 3.26Å | ||
| 474 | D | 44.1 | Very low | 51.9 | Low | 56 Ų | 56 | 81.5 Ų | 81.5 | 30% | 0.299 | 46% | 0.461 | S | S | . | . | trans | -94.7 | 118.8 | 175.9 | -154 | 32 | 0 | 0 | 0 | 107.4 | Q216 N476 | Q216-D474 PolarHBondContact NE2-OD1 3.42Å; D474-N476 PolarHBondContact O-N 3.41Å | ||
| 475 | D | 39.2 | Very low | 48.8 | Very low | 113 Ų | 113 | 84 Ų | 84 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -72.2 | 16.5 | -178.7 | -80.9 | -28.7 | 0 | 0 | 0 | 114 | D477 | D475-D477 PolarHBondContact O-N 2.99Å; D475-D477 VanDerWaalsContact O-N 3.17Å |
| 476 | N | 37.8 | Very low | 45.8 | Very low | 123 Ų | 123 | 90 Ų | 90 | 66% | 0.658 | 52% | 0.524 | S | S | * | . | trans | -83.6 | 22.1 | -178.8 | -90.7 | -25 | 0 | 0 | 0 | 114.8 | D474 G478 | D474-N476 PolarHBondContact O-N 3.41Å; N476-G478 VanDerWaalsContact C-N 3.31Å; N476-G478 PolarHBondContact O-N 3Å | ||
| 477 | D | 33.4 | Very low | 42.9 | Very low | 116 Ų | 116 | 93.9 Ų | 93.9 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | trans | -84.8 | 72.3 | 177.9 | -137.7 | -0.7 | 0 | 0 | 0 | 111.8 | R473 D475 S479 | R473-D477 IonicContact NH2-OD2 3.73Å; R473-D477 PolarHBondContact NH2-OD2 2.96Å; D475-D477 PolarHBondContact O-N 2.99Å; D475-D477 VanDerWaalsContact O-N 3.17Å; D477-S479 VanDerWaalsContact C-N 3.31Å; D477-S479 PolarHBondContact O-N 3.26Å | ||
| 478 | G | 30.1 | Very low | 40.4 | Very low | 81 Ų | 81 | 98 Ų | 98 | 84% | 0.835 | 58% | 0.58 | S | S | * | * | 61 | -2.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | N476 | N476-G478 VanDerWaalsContact C-N 3.31Å; N476-G478 PolarHBondContact O-N 3Å | |||
| 479 | S | 28.1 | Very low | 37.6 | Very low | 105 Ų | 105 | 100.1 Ų | 100.1 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | trans | -110.8 | 77.3 | -178.6 | 74.9 | 0 | 0 | 0 | 0 | 113.6 | D477 | D477-S479 VanDerWaalsContact C-N 3.31Å; D477-S479 PolarHBondContact O-N 3.26Å | ||
| 480 | K | 26.5 | Very low | 34.9 | Very low | 200 Ų | 200 | 102.2 Ų | 102.2 | 87% | 0.87 | 61% | 0.608 | S | S | * | * | trans | 166.7 | 112.1 | 139.6 | -92.3 | 164.2 | -174.2 | 179.6 | 0 | 109.2 | D482 | K480-D482 PolarHBondContact O-N 2.8Š| ||
| 481 | D | 26 | Very low | 32.5 | Very low | 158 Ų | 158 | 105.6 Ų | 105.6 | 85% | 0.845 | 62% | 0.624 | S | S | * | * | trans | -48 | 114.7 | 155.6 | -71.5 | -47.7 | 0 | 0 | 0 | 109.4 | ||||
| 482 | D | 26.9 | Very low | 30.8 | Very low | 160 Ų | 160 | 108.6 Ų | 108.6 | 86% | 0.856 | 64% | 0.641 | S | S | * | * | trans | -176.5 | 117.6 | 141.5 | -90.4 | -25.3 | 0 | 0 | 0 | 111.1 | K480 | K480-D482 PolarHBondContact O-N 2.8Š| ||
| 483 | A | 22.5 | Very low | 29.6 | Very low | 84 Ų | 84 | 110 Ų | 110 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | trans | 40.5 | 115.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 484 | I | 22.5 | Very low | 28.8 | Very low | 174 Ų | 174 | 111.9 Ų | 111.9 | 89% | 0.892 | 67% | 0.667 | S | S | * | * | 48.4 | 114.9 | 122 | -53.4 | 166.4 | 0 | 0 | 0 | 117.9 | |||||
| 485 | G | 21.7 | Very low | 28.4 | Very low | 58 Ų | 58 | 112.7 Ų | 112.7 | 60% | 0.598 | 68% | 0.677 | S | S | * | * | trans | 107 | 112.6 | 134.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 486 | T | 23 | Very low | 28 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 92% | 0.92 | 67% | 0.672 | S | S | * | * | trans | 46.5 | 86.3 | 144.3 | 49.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 487 | A | 22.5 | Very low | 27.7 | Very low | 86 Ų | 86 | 114.2 Ų | 114.2 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -154.8 | 120.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I489 | A487-I489 PolarHBondContact O-N 3.13Š| ||
| 488 | T | 22.3 | Very low | 27.6 | Very low | 129 Ų | 129 | 110.7 Ų | 110.7 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | trans | -22.8 | 117.5 | 160.8 | 17 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 489 | I | 24.9 | Very low | 27.9 | Very low | 121 Ų | 121 | 111.3 Ų | 111.3 | 62% | 0.621 | 66% | 0.663 | S | S | * | * | trans | -111.8 | 77.7 | 157 | -53.9 | 175.7 | 0 | 0 | 0 | 106.6 | A487 | A487-I489 PolarHBondContact O-N 3.13Š| ||
| 490 | S | 27.3 | Very low | 29 | Very low | 44 Ų | 44 | 109.1 Ų | 109.1 | 31% | 0.308 | 64% | 0.643 | S | S | . | * | trans | -70.3 | 145.3 | 169.2 | 159.8 | 0 | 0 | 0 | 0 | 108.3 | T492 E493 | S490-T492 WeakPolarHBondContact CB-OG1 3.35Å; S490-T492 PolarHBondContact O-N 2.62Å; S490-T492 PolarHBondContact O-OG1 2.64Å; S490-T492 PolarHBondContact OG-N 2.96Å; S490-T492 PolarHBondContact OG-OG1 3.5Å; S490-E493 PolarHBondContact O-N 3.13Å | ||
| 491 | L | 30.1 | Very low | 30.8 | Very low | 86 Ų | 86 | 101.7 Ų | 101.7 | 45% | 0.45 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48 | -7.9 | 171.3 | -84.2 | 164.2 | 0 | 0 | 0 | 114.7 | E493 T494 | L491-E493 PolarHBondContact O-N 2.88Å; L491-T494 PolarHBondContact O-N 3.47Å; L491-T494 PolarHBondContact O-OG1 3.36Å |
| 492 | T | 32.2 | Very low | 33.2 | Very low | 84 Ų | 84 | 95.2 Ų | 95.2 | 52% | 0.515 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.7 | -26 | 162.5 | 38.9 | 0 | 0 | 0 | 0 | 114.4 | S490 S495 | S490-T492 WeakPolarHBondContact CB-OG1 3.35Å; S490-T492 PolarHBondContact O-N 2.62Å; S490-T492 PolarHBondContact O-OG1 2.64Å; S490-T492 PolarHBondContact OG-N 2.96Å; S490-T492 PolarHBondContact OG-OG1 3.5Å; T492-S495 PolarHBondContact O-N 2.63Å; T492-S495 PolarHBondContact O-OG 3.1Å |
| 493 | E | 32.1 | Very low | 35.9 | Very low | 116 Ų | 116 | 90.1 Ų | 90.1 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | -21.9 | -179.9 | -69.9 | -165.5 | 168 | 0 | 0 | 114.9 | S490 L491 S495 S496 | S490-E493 PolarHBondContact O-N 3.13Å; L491-E493 PolarHBondContact O-N 2.88Å; E493-S495 PolarHBondContact O-N 2.68Å; E493-S496 WeakPolarHBondContact CA-OG 3.04Å; E493-S496 PolarHBondContact O-N 3.48Å; E493-S496 PolarHBondContact O-OG 3.23Å |
| 494 | T | 31.6 | Very low | 39 | Very low | 105 Ų | 105 | 86.1 Ų | 86.1 | 64% | 0.644 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.3 | 164 | 37.3 | 0 | 0 | 0 | 0 | 112.1 | L491 | L491-T494 PolarHBondContact O-N 3.47Å; L491-T494 PolarHBondContact O-OG1 3.36Å |
| 495 | S | 35.6 | Very low | 42.2 | Very low | 74 Ų | 74 | 78.3 Ų | 78.3 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -6 | 170.8 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | T492 E493 | T492-S495 PolarHBondContact O-N 2.63Å; T492-S495 PolarHBondContact O-OG 3.1Å; E493-S495 PolarHBondContact O-N 2.68Å |
| 496 | S | 30.6 | Very low | 45.7 | Very low | 69 Ų | 69 | 75.6 Ų | 75.6 | 48% | 0.483 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 66.5 | 179.7 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | E493 G498 | E493-S496 WeakPolarHBondContact CA-OG 3.04Å; E493-S496 PolarHBondContact O-N 3.48Å; E493-S496 PolarHBondContact O-OG 3.23Å; S496-G498 PolarHBondContact O-N 3.09Å |
| 497 | Q | 31.4 | Very low | 49 | Very low | 199 Ų | 199 | 68.6 Ų | 68.6 | 93% | 0.93 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 16.4 | 160.6 | -67.7 | -173.4 | -22.1 | 0 | 0 | 118.2 | T499 | Q497-T499 PolarHBondContact O-N 3.45Š|
| 498 | G | 33 | Very low | 52.4 | Low | 42 Ų | 42 | 65.5 Ų | 65.5 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | trans | -98.5 | 81.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S496 N500 | S496-G498 PolarHBondContact O-N 3.09Å; G498-N500 PolarHBondContact O-N 3.01Å | ||
| 499 | T | 35.9 | Very low | 55.8 | Low | 94 Ų | 94 | 59.6 Ų | 59.6 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 37 | 76.4 | 144.1 | 58 | 0 | 0 | 0 | 0 | 121 | Q497 | Q497-T499 PolarHBondContact O-N 3.45Š|
| 500 | N | 50.4 | Low | 59.2 | Low | 58 Ų | 58 | 54.1 Ų | 54.1 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | S | Bend | 161 | 12.1 | 122.8 | -73.8 | -14.6 | 0 | 0 | 0 | 116.7 | R473 G498 K733 | R473-N500 HydrophobicContact CB-CB 4.17Å; R473-N500 WeakPolarHBondContact CB-O 3.21Å; R473-N500 HydrophobicContact CG-CB 4.4Å; R473-N500 PolarHBondContact NH1-ND2 2.98Å; G498-N500 PolarHBondContact O-N 3.01Å; N500-K733 WeakPolarHBondContact OD1-CE 3.42Å; N500-K733 PolarHBondContact OD1-NZ 3.12Å | |
| 501 | G | 64 | Low | 62.4 | Low | 45 Ų | 45 | 52.8 Ų | 52.8 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | trans | -121.7 | 172.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A471 | A471-G501 CarbonylContact O-C 3.49Å; A471-G501 WeakPolarHBondContact O-CA 3.22Å | ||
| 502 | F | 77 | Confident | 65.5 | Low | 21 Ų | 21 | 49.6 Ų | 49.6 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -146.4 | 142.8 | 171.3 | 62.7 | -83.3 | 0 | 0 | 0 | 111.9 | I469 A471 M727 H730 | I469-F502 VanDerWaalsContact O-CE2 3.3Å; I469-F502 WeakPolarHBondContact O-CE2 3.36Å; A471-F502 HydrophobicContact CB-CD1 3.71Å; A471-F502 HydrophobicContact CB-CE1 3.35Å; A471-F502 HydrophobicContact CB-CZ 4.02Å; A471-F502 PolarHBondContact N-O 3.41Å; A471-F502 PolarHBondContact O-N 3.43Å; F502-M727 HydrophobicContact CD2-SD 4.43Å; F502-M727 HydrophobicContact CE2-CE 4.12Å; F502-M727 HydrophobicContact CE2-SD 3.52Å; F502-M727 VanDerWaalsContact CE2-SD 3.52Å; F502-M727 HydrophobicContact CZ-CE 4.26Å; F502-M727 HydrophobicContact CZ-SD 4.03Å; F502-H730 HydrophobicContact CB-CB 4.44Å; F502-H730 VanDerWaalsContact CB-CE1 3.43Å; F502-H730 WeakPolarHBondContact CB-CE1 3.14Å; F502-H730 WeakPolarHBondContact CB-ND1 3.23Å; F502-H730 HydrophobicContact CD1-CB 3.61Å; F502-H730 AromaticContact CD1-CG 3.87Å; F502-H730 HydrophobicContact CD2-CB 3.98Å; F502-H730 AromaticContact CD2-CG 3.99Å; F502-H730 AromaticContact CD2-ND1 3.43Å; F502-H730 WeakPolarHBondContact CD2-ND1 3.09Å; F502-H730 HydrophobicContact CE1-CB 3.7Å; F502-H730 HydrophobicContact CE2-CB 4.05Å; F502-H730 HydrophobicContact CG-CB 3.76Å; F502-H730 AromaticContact CG-CG 3.62Å; F502-H730 AromaticContact CG-ND1 3.3Å; F502-H730 VanDerWaalsContact CG-ND1 3.3Å; F502-H730 WeakPolarHBondContact CG-ND1 3.45Å; F502-H730 HydrophobicContact CZ-CB 3.93Å |
| 503 | L | 82.7 | Confident | 68.4 | Low | 54 Ų | 54 | 45.6 Ų | 45.6 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | trans | -68.1 | 165.2 | 174.9 | -62.2 | 177.1 | 0 | 0 | 0 | 110.7 | F436 T505 T550 L552 | F436-L503 HydrophobicContact CD1-CD2 4.35Å; F436-L503 HydrophobicContact CE1-CD2 3.47Å; F436-L503 VanDerWaalsContact CE1-CD2 3.47Å; F436-L503 HydrophobicContact CE2-CD2 4.44Å; F436-L503 HydrophobicContact CZ-CD2 3.53Å; L503-T505 PolarHBondContact O-N 2.98Å; L503-T505 PolarHBondContact O-OG1 3Å; L503-T550 HydrophobicContact CB-CG2 4.39Å; L503-T550 HydrophobicContact CD1-CG2 4.36Å; L503-L552 HydrophobicContact CD1-CD1 4.18Å; L503-L552 HydrophobicContact CD1-CD2 4.39Å; L503-L552 HydrophobicContact CD1-CG 3.97Å | ||
| 504 | P | 87.6 | Confident | 71.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -53.7 | 112.4 | 175.9 | -25.4 | 33.8 | 0 | 0 | 0 | 111.9 | F365 F436 I466 I469 T550 | F365-P504 HydrophobicContact CE1-CB 3.98Å; F365-P504 HydrophobicContact CE1-CG 4.18Å; F365-P504 HydrophobicContact CZ-CB 4.3Å; F365-P504 HydrophobicContact CZ-CG 4.42Å; F436-P504 VanDerWaalsContact CE2-CD 3.48Å; F436-P504 HydrophobicContact CE2-CG 3.78Å; F436-P504 HydrophobicContact CZ-CG 4.38Å; I466-P504 HydrophobicContact CG2-CB 4.43Å; I466-P504 HydrophobicContact CG2-CG 3.91Å; I469-P504 HydrophobicContact CD1-CB 3.88Å; I469-P504 HydrophobicContact CG1-CB 4.27Å; I469-P504 VanDerWaalsContact O-CA 3.26Å; I469-P504 WeakPolarHBondContact O-CA 3.4Å; P504-T550 WeakPolarHBondContact CB-OG1 3.23Å; P504-T550 PolarHBondContact O-N 2.84Å; P504-T550 PolarHBondContact O-OG1 2.69Å |
| 505 | T | 91.6 | Very high | 74 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | trans | -137.4 | 131 | -176.5 | -64 | 0 | 0 | 0 | 0 | 108.5 | I469 L503 L548 E726 M727 | I469-T505 PolarHBondContact O-N 3.33Å; L503-T505 PolarHBondContact O-N 2.98Å; L503-T505 PolarHBondContact O-OG1 3Å; T505-L548 WeakPolarHBondContact CA-O 2.91Å; T505-E726 HydrophobicContact CG2-CB 3.94Å; T505-E726 HydrophobicContact CG2-CG 4.04Å; T505-M727 HydrophobicContact CG2-CB 4.49Å; T505-M727 VanDerWaalsContact O-SD 3.35Å | ||
| 506 | F | 94.7 | Very high | 76.5 | Confident | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 139.4 | 177.4 | 173.6 | -82.8 | 0 | 0 | 0 | 110.6 | I464 I469 I511 L546 E547 L548 P777 Q778 | I464-F506 HydrophobicContact CD1-CB 4.5Å; I464-F506 HydrophobicContact CD1-CD1 4.06Å; I464-F506 HydrophobicContact CD1-CD2 4.25Å; I464-F506 HydrophobicContact CD1-CE1 4.36Å; I464-F506 HydrophobicContact CD1-CG 4.02Å; I469-F506 HydrophobicContact CD1-CB 4.3Å; I469-F506 HydrophobicContact CG2-CB 4.32Å; I469-F506 HydrophobicContact CG2-CD2 4.09Å; F506-I511 HydrophobicContact CE1-CD1 3.85Å; F506-I511 HydrophobicContact CE1-CG1 3.86Å; F506-I511 HydrophobicContact CE2-CG1 4.37Å; F506-I511 HydrophobicContact CZ-CD1 3.76Å; F506-I511 HydrophobicContact CZ-CG1 3.46Å; F506-I511 VanDerWaalsContact CZ-CG1 3.46Å; F506-L546 HydrophobicContact CD1-CD1 3.56Å; F506-L546 HydrophobicContact CE1-CD1 3.64Å; F506-L546 HydrophobicContact CE1-CG 4.35Å; F506-E547 CarbonylContact O-C 3.57Å; F506-E547 WeakPolarHBondContact O-CA 3.44Å; F506-L548 HydrophobicContact CB-CB 4.15Å; F506-L548 PolarHBondContact N-O 2.74Å; F506-L548 PolarHBondContact O-N 3.28Å; F506-P777 WeakPolarHBondContact CE2-O 3.02Å; F506-Q778 HydrophobicContact CD2-CG 3.95Å; F506-Q778 HydrophobicContact CE2-CB 4.38Å; F506-Q778 HydrophobicContact CE2-CG 3.77Å |
| 507 | G | 91.8 | Very high | 79 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.5 | -171.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115 | S509 N725 Q778 | G507-S509 VanDerWaalsContact CA-N 3.27Å; G507-N725 VanDerWaalsContact C-ND2 3.34Å; G507-N725 WeakPolarHBondContact O-CB 3.45Å; G507-N725 PolarHBondContact O-ND2 3.01Å; G507-Q778 VanDerWaalsContact CA-OE1 3.3Å |
| 508 | P | 93.8 | Very high | 81.1 | Confident | 21 Ų | 21 | 21.7 Ų | 21.7 | 14% | 0.136 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -63.6 | 126.8 | 7.8 | -11.1 | 19.5 | 0 | 0 | 0 | 113.2 | L545 L546 E547 I572 N725 | P508-L545 HydrophobicContact CB-CD1 4.48Å; P508-L546 WeakPolarHBondContact CA-O 3.45Å; P508-E547 HydrophobicContact CB-CB 4.34Å; P508-E547 HydrophobicContact CG-CB 4.34Å; P508-E547 HydrophobicContact CG-CG 4.28Å; P508-E547 WeakPolarHBondContact CG-OE2 3.28Å; P508-I572 HydrophobicContact CB-CD1 3.11Å; P508-I572 HydrophobicContact CG-CD1 3.53Å; P508-N725 PolarHBondContact O-ND2 3.46Å |
| 509 | S | 94.8 | Very high | 82.7 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 152.7 | 179.6 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | G507 L545 L546 R661 | G507-S509 VanDerWaalsContact CA-N 3.27Å; S509-L545 VanDerWaalsContact C-CD1 3.48Å; S509-L546 PolarHBondContact N-O 3Å; S509-L546 VanDerWaalsContact N-O 3.11Å; S509-L546 PolarHBondContact O-N 3.32Å; S509-R661 PolarHBondContact OG-NH1 2.77Å |
| 510 | F | 95.1 | Very high | 83.6 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 148.3 | 172.3 | -73.9 | -90.1 | 0 | 0 | 0 | 111.7 | E373 R543 V544 L545 L576 | E373-F510 HydrophobicContact CG-CE1 4.26Å; F510-R543 HydrophobicContact CB-CB 4.49Å; F510-R543 HydrophobicContact CD1-CB 4.08Å; F510-R543 HydrophobicContact CD1-CG 3.57Å; F510-R543 HydrophobicContact CE1-CG 4Å; F510-R543 HydrophobicContact CG-CG 4.32Å; F510-V544 CarbonylContact C-O 3.54Å; F510-V544 WeakPolarHBondContact CA-O 3.37Å; F510-L545 HydrophobicContact CD1-CB 3.79Å; F510-L545 HydrophobicContact CD2-CB 4.44Å; F510-L545 HydrophobicContact CD2-CD1 4.06Å; F510-L545 HydrophobicContact CE1-CB 3.58Å; F510-L545 HydrophobicContact CE2-CB 4.24Å; F510-L545 HydrophobicContact CE2-CD1 4.17Å; F510-L545 HydrophobicContact CE2-CD2 4.24Å; F510-L545 HydrophobicContact CE2-CG 4.46Å; F510-L545 HydrophobicContact CG-CB 4.23Å; F510-L545 HydrophobicContact CG-CD1 4.35Å; F510-L545 HydrophobicContact CZ-CB 3.82Å; F510-L545 HydrophobicContact CZ-CD2 4.15Å; F510-L545 HydrophobicContact CZ-CG 4.42Å; F510-L576 HydrophobicContact CE2-CD2 4.19Å; F510-L576 HydrophobicContact CZ-CD2 4.02Å |
| 511 | I | 93.9 | Very high | 83.7 | Confident | 17 Ų | 17 | 24.1 Ų | 24.1 | 9% | 0.087 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126 | 168.1 | -60.7 | 175.2 | 0 | 0 | 0 | 108.1 | F445 I464 F506 R543 V544 L546 | F445-I511 HydrophobicContact CE2-CD1 4.46Å; I464-I511 HydrophobicContact CD1-CD1 3.45Å; I464-I511 VanDerWaalsContact CD1-CD1 3.45Å; I464-I511 HydrophobicContact CG1-CD1 3.5Å; F506-I511 HydrophobicContact CE1-CD1 3.85Å; F506-I511 HydrophobicContact CE1-CG1 3.86Å; F506-I511 HydrophobicContact CE2-CG1 4.37Å; F506-I511 HydrophobicContact CZ-CD1 3.76Å; F506-I511 HydrophobicContact CZ-CG1 3.46Å; F506-I511 VanDerWaalsContact CZ-CG1 3.46Å; I511-R543 CarbonylContact O-C 3.39Å; I511-R543 WeakPolarHBondContact O-CA 3.44Å; I511-R543 WeakPolarHBondContact O-CB 3.49Å; I511-V544 HydrophobicContact CB-CG1 4.06Å; I511-V544 PolarHBondContact N-O 3.22Å; I511-V544 PolarHBondContact O-N 3.23Å; I511-L546 HydrophobicContact CD1-CD1 4.06Å; I511-L546 HydrophobicContact CD1-CD2 3.93Å; I511-L546 HydrophobicContact CD1-CG 4.07Å |
| 512 | N | 95 | Very high | 82.9 | Confident | 18 Ų | 18 | 27.4 Ų | 27.4 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.9 | 178.4 | -66.5 | -52.2 | 0 | 0 | 0 | 111.3 | Y514 Y540 M779 S780 I781 P782 | N512-Y514 HydrophobicContact CB-CD2 4.48Å; N512-Y514 HydrophobicContact CB-CE2 3.68Å; N512-Y540 HydrophobicContact CB-CE2 4.46Å; N512-M779 PolarHBondContact ND2-O 2.97Å; N512-M779 VanDerWaalsContact ND2-O 3.09Å; N512-S780 PolarHBondContact ND2-O 2.69Å; N512-S780 PolarHBondContact OD1-O 3.01Å; N512-I781 VanDerWaalsContact ND2-C 3.33Å; N512-I781 PolarHBondContact ND2-O 3.27Å; N512-P782 WeakPolarHBondContact OD1-CG 2.81Å |
| 513 | L | 93.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.7 | 178.1 | -52.8 | 176.2 | 0 | 0 | 0 | 109.3 | L375 F447 G462 R541 G542 V544 | L375-L513 HydrophobicContact CD2-CD1 4.14Å; F447-L513 HydrophobicContact CD2-CD1 3.59Å; F447-L513 HydrophobicContact CD2-CD2 4Å; F447-L513 HydrophobicContact CD2-CG 4.48Å; F447-L513 HydrophobicContact CE2-CD1 4.01Å; F447-L513 HydrophobicContact CE2-CD2 3.99Å; F447-L513 HydrophobicContact CG-CD1 4.18Å; G462-L513 VanDerWaalsContact N-CD2 3.34Å; L513-R541 HydrophobicContact CB-CB 4.28Å; L513-R541 PolarHBondContact O-N 3.07Å; L513-G542 WeakPolarHBondContact CA-O 3.15Å; L513-G542 VanDerWaalsContact CB-O 3.29Å; L513-G542 WeakPolarHBondContact CB-O 3.24Å; L513-G542 PolarHBondContact N-O 3.38Å; L513-V544 HydrophobicContact CD2-CG1 4.34Å |
| 514 | Y | 92.6 | Very high | 81 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.3 | 176.4 | -63.7 | -85.7 | 0 | 0 | 0 | 111.2 | N512 A539 D783 | N512-Y514 HydrophobicContact CB-CD2 4.48Å; N512-Y514 HydrophobicContact CB-CE2 3.68Å; Y514-A539 CarbonylContact C-O 3.54Å; Y514-A539 VanDerWaalsContact CA-O 3.27Å; Y514-A539 WeakPolarHBondContact CA-O 3.32Å; Y514-D783 HydrophobicContact CE1-CB 4.48Å; Y514-D783 WeakPolarHBondContact OH-CB 3.37Å; Y514-D783 PolarHBondContact OH-N 3.25Å; Y514-D783 PolarHBondContact OH-OD1 2.91Å |
| 515 | G | 89.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | -152.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N531 G537 V538 A539 | G515-N531 WeakPolarHBondContact CA-OD1 3.15Å; G515-G537 CarbonylContact O-C 3.43Å; G515-V538 PolarHBondContact O-N 3.28Å; G515-A539 PolarHBondContact N-O 3.16Å; G515-A539 PolarHBondContact O-N 2.99Å; G515-A539 VanDerWaalsContact O-N 3.09Å |
| 516 | S | 87.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -73.5 | 163.4 | -178.2 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | R518 D525 N531 A539 | S516-R518 PolarHBondContact O-N 2.9Å; S516-D525 WeakPolarHBondContact CB-OD2 3.48Å; S516-D525 PolarHBondContact OG-OD2 3.33Å; S516-N531 PolarHBondContact N-OD1 3.08Å; S516-N531 PolarHBondContact OG-ND2 2.86Å; S516-N531 VanDerWaalsContact OG-ND2 3.08Å; S516-N531 PolarHBondContact OG-OD1 3.09Å; S516-A539 WeakPolarHBondContact O-CB 3.37Å |
| 517 | P | 83.6 | Confident | 78.7 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | trans | -55.6 | 136.7 | 175.6 | -22.9 | 33.6 | 0 | 0 | 0 | 112.6 | E519 Y527 V538 W787 P829 | P517-E519 HydrophobicContact CB-CG 4.46Å; P517-E519 PolarHBondContact O-N 2.86Å; P517-Y527 HydrophobicContact CG-CD2 4.06Å; P517-Y527 HydrophobicContact CG-CE2 4.48Å; P517-V538 HydrophobicContact CG-CG2 3.71Å; P517-W787 HydrophobicContact CB-CH2 4.38Å; P517-W787 HydrophobicContact CG-CH2 4.36Å; P517-P829 HydrophobicContact CG-CG 4.2Å | ||
| 518 | R | 75.8 | Confident | 78.1 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | trans | -75.5 | 22.6 | -179 | -59.3 | 177.1 | 93.9 | -175.7 | 10.1 | 114.4 | S516 Y520 N609 N612 L614 D615 | S516-R518 PolarHBondContact O-N 2.9Å; R518-Y520 PolarHBondContact O-N 2.82Å; R518-N609 PolarHBondContact NH1-OD1 2.87Å; R518-N612 PolarHBondContact NH1-ND2 3.15Å; R518-N612 VanDerWaalsContact NH1-ND2 3.11Å; R518-L614 WeakPolarHBondContact O-CD1 3.47Å; R518-D615 IonicContact CZ-OD2 2.77Å; R518-D615 IonicContact NH1-OD2 3.56Å; R518-D615 PolarHBondContact NH1-OD2 3.1Å; R518-D615 IonicContact NH2-OD2 3.41Å; R518-D615 PolarHBondContact NH2-OD2 3.18Å; R518-D615 VanDerWaalsContact NH2-OD2 3.14Å | ||
| 519 | E | 66.1 | Low | 77.6 | Confident | 81 Ų | 81 | 51 Ų | 51 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | trans | -72.7 | 116.9 | -178.3 | -62.6 | -175.3 | 148.9 | 0 | 0 | 110.2 | P517 S521 R794 | P517-E519 HydrophobicContact CB-CG 4.46Å; P517-E519 PolarHBondContact O-N 2.86Å; E519-S521 PolarHBondContact O-N 3.19Å; E519-S521 VanDerWaalsContact O-N 3.08Å; E519-R794 WeakPolarHBondContact OE1-CA 3.2Å; E519-R794 VanDerWaalsContact OE1-CB 3.31Å; E519-R794 WeakPolarHBondContact OE1-CB 3.36Å; E519-R794 PolarHBondContact OE1-N 3.31Å | ||
| 520 | Y | 55.2 | Low | 77.2 | Confident | 98 Ų | 98 | 50.8 Ų | 50.8 | 38% | 0.384 | 26% | 0.263 | S | S | . | . | trans | -71.4 | 102.1 | 171.6 | -54.1 | -80 | 0 | 0 | 0 | 108.5 | R377 R518 | R377-Y520 HydrophobicContact CB-CE1 4.16Å; R377-Y520 WeakPolarHBondContact O-CE1 3.39Å; R518-Y520 PolarHBondContact O-N 2.82Å | ||
| 521 | S | 51.3 | Low | 76.8 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 46% | 0.462 | 26% | 0.262 | S | S | . | . | trans | -122.2 | 147.7 | 175.9 | 87.4 | 0 | 0 | 0 | 0 | 110.4 | E519 L523 | E519-S521 PolarHBondContact O-N 3.19Å; E519-S521 VanDerWaalsContact O-N 3.08Å; S521-L523 PolarHBondContact O-N 3.04Å; S521-L523 VanDerWaalsContact O-N 3.07Å; S521-L523 PolarHBondContact OG-N 3.2Å; S521-L523 PolarHBondContact OG-O 3.17Å | ||
| 522 | D | 48.2 | Very low | 76.3 | Confident | 113 Ų | 113 | 52.1 Ų | 52.1 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -67.2 | -3.5 | 176.7 | -60.6 | -38.7 | 0 | 0 | 0 | 113.4 | A382 | A382-D522 VanDerWaalsContact CB-OD1 3.24Å; A382-D522 WeakPolarHBondContact CB-OD1 3.15Å |
| 523 | L | 55.9 | Low | 75.6 | Confident | 133 Ų | 133 | 52.8 Ų | 52.8 | 70% | 0.696 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -102.1 | 149.1 | -179 | -68.9 | 168.9 | 0 | 0 | 0 | 110.7 | S521 D525 | S521-L523 PolarHBondContact O-N 3.04Å; S521-L523 VanDerWaalsContact O-N 3.07Å; S521-L523 PolarHBondContact OG-N 3.2Å; S521-L523 PolarHBondContact OG-O 3.17Å; L523-D525 PolarHBondContact O-N 3.13Å |
| 524 | P | 62.7 | Low | 74.9 | Confident | 113 Ų | 113 | 57.4 Ų | 57.4 | 73% | 0.734 | 30% | 0.302 | S | S | * | . | trans | -56.5 | 135.4 | 171.2 | 23.6 | -32.1 | 0 | 0 | 0 | 109.9 | K526 | P524-K526 PolarHBondContact O-N 3.03Š| ||
| 525 | D | 68.4 | Low | 74.2 | Confident | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | trans | -64.2 | 107.3 | 179.8 | 177.3 | 11.8 | 0 | 0 | 0 | 110 | S516 L523 Y527 E528 | S516-D525 WeakPolarHBondContact CB-OD2 3.48Å; S516-D525 PolarHBondContact OG-OD2 3.33Å; L523-D525 PolarHBondContact O-N 3.13Å; D525-Y527 PolarHBondContact O-N 3.34Å; D525-Y527 WeakPolarHBondContact OD1-CA 3.19Å; D525-Y527 WeakPolarHBondContact OD1-CB 3.36Å; D525-Y527 PolarHBondContact OD1-N 2.83Å; D525-E528 HydrophobicContact CB-CB 4.32Å; D525-E528 WeakPolarHBondContact O-CB 3.46Å; D525-E528 PolarHBondContact O-N 3.05Å; D525-E528 PolarHBondContact OD2-N 2.87Å | ||
| 526 | K | 74.8 | Confident | 73.8 | Confident | 152 Ų | 152 | 61.5 Ų | 61.5 | 66% | 0.661 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -18.9 | 175.3 | 55 | 165.8 | 163.5 | 160 | 0 | 113.2 | P524 L831 | P524-K526 PolarHBondContact O-N 3.03Å; K526-L831 WeakPolarHBondContact O-CD1 3.43Å |
| 527 | Y | 82 | Confident | 73.7 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 10.8 | -178.5 | -56.7 | -63.2 | 0 | 0 | 0 | 114.3 | P517 D525 A529 L530 P829 L831 | P517-Y527 HydrophobicContact CG-CD2 4.06Å; P517-Y527 HydrophobicContact CG-CE2 4.48Å; D525-Y527 PolarHBondContact O-N 3.34Å; D525-Y527 WeakPolarHBondContact OD1-CA 3.19Å; D525-Y527 WeakPolarHBondContact OD1-CB 3.36Å; D525-Y527 PolarHBondContact OD1-N 2.83Å; Y527-A529 PolarHBondContact O-N 2.97Å; Y527-L530 VanDerWaalsContact O-CB 3.28Å; Y527-L530 WeakPolarHBondContact O-CB 3.21Å; Y527-L530 WeakPolarHBondContact O-CG 3.09Å; Y527-L530 PolarHBondContact O-N 3.43Å; Y527-P829 HydrophobicContact CD1-CB 4.32Å; Y527-P829 HydrophobicContact CD2-CB 4.29Å; Y527-P829 HydrophobicContact CE1-CB 3.95Å; Y527-P829 WeakPolarHBondContact CE1-O 3.49Å; Y527-P829 HydrophobicContact CE2-CB 3.88Å; Y527-P829 HydrophobicContact CE2-CG 4.39Å; Y527-P829 HydrophobicContact CG-CB 4.48Å; Y527-P829 VanDerWaalsContact CZ-O 3.3Å; Y527-P829 PolarHBondContact OH-O 3Å; Y527-L831 HydrophobicContact CD1-CD2 4.29Å; Y527-L831 HydrophobicContact CD1-CG 4.16Å |
| 528 | E | 81.2 | Confident | 73.9 | Confident | 84 Ų | 84 | 61 Ų | 61 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -51.4 | -33.9 | -175 | -170.6 | -167.9 | 164.5 | 0 | 0 | 113.8 | P458 D525 L530 N531 | P458-E528 HydrophobicContact CG-CG 4.27Å; D525-E528 HydrophobicContact CB-CB 4.32Å; D525-E528 WeakPolarHBondContact O-CB 3.46Å; D525-E528 PolarHBondContact O-N 3.05Å; D525-E528 PolarHBondContact OD2-N 2.87Å; E528-L530 PolarHBondContact O-N 2.88Å; E528-L530 VanDerWaalsContact O-N 3.09Å; E528-N531 VanDerWaalsContact O-CB 3.31Å; E528-N531 WeakPolarHBondContact O-CB 3.34Å; E528-N531 PolarHBondContact O-N 2.73Å |
| 529 | A | 82.5 | Confident | 74.6 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -60.1 | -22.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y527 N531 L532 K534 L831 | Y527-A529 PolarHBondContact O-N 2.97Å; A529-N531 VanDerWaalsContact C-N 3.28Å; A529-N531 PolarHBondContact O-N 3.35Å; A529-L532 PolarHBondContact O-N 3.19Å; A529-K534 HydrophobicContact CB-CB 4.35Å; A529-K534 WeakPolarHBondContact O-CB 3.18Å; A529-K534 PolarHBondContact O-N 2.93Å; A529-K534 VanDerWaalsContact O-N 3.14Å; A529-L831 HydrophobicContact CB-CD2 4.23Å |
| 530 | L | 85.4 | Confident | 75.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -64.8 | -31.9 | 172.6 | -62.1 | -176.9 | 0 | 0 | 0 | 112.1 | Y527 E528 L532 G533 V538 L831 | Y527-L530 VanDerWaalsContact O-CB 3.28Å; Y527-L530 WeakPolarHBondContact O-CB 3.21Å; Y527-L530 WeakPolarHBondContact O-CG 3.09Å; Y527-L530 PolarHBondContact O-N 3.43Å; E528-L530 PolarHBondContact O-N 2.88Å; E528-L530 VanDerWaalsContact O-N 3.09Å; L530-L532 PolarHBondContact O-N 2.94Å; L530-G533 PolarHBondContact O-N 3.35Å; L530-V538 HydrophobicContact CD1-CG1 3.99Å; L530-V538 HydrophobicContact CD1-CG2 4.46Å; L530-L831 HydrophobicContact CD2-CD2 3.98Å; L530-L831 HydrophobicContact CG-CD2 3.9Å |
| 531 | N | 87.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.7 | 177.5 | -61.1 | -30.6 | 0 | 0 | 0 | 112.2 | P458 G460 T461 G515 S516 E528 A529 G533 | P458-N531 HydrophobicContact CB-CB 3.88Å; P458-N531 HydrophobicContact CG-CB 3.96Å; P458-N531 VanDerWaalsContact O-CB 3.26Å; P458-N531 WeakPolarHBondContact O-CB 3.39Å; P458-N531 PolarHBondContact O-ND2 2.8Å; G460-N531 CarbonylContact C-O 3.57Å; T461-N531 WeakPolarHBondContact CB-O 3.15Å; T461-N531 PolarHBondContact N-O 3.46Å; T461-N531 PolarHBondContact OG1-O 3.49Å; G515-N531 WeakPolarHBondContact CA-OD1 3.15Å; S516-N531 PolarHBondContact N-OD1 3.08Å; S516-N531 PolarHBondContact OG-ND2 2.86Å; S516-N531 VanDerWaalsContact OG-ND2 3.08Å; S516-N531 PolarHBondContact OG-OD1 3.09Å; E528-N531 VanDerWaalsContact O-CB 3.31Å; E528-N531 WeakPolarHBondContact O-CB 3.34Å; E528-N531 PolarHBondContact O-N 2.73Å; A529-N531 VanDerWaalsContact C-N 3.28Å; A529-N531 PolarHBondContact O-N 3.35Å; N531-G533 PolarHBondContact O-N 2.76Å |
| 532 | L | 84.2 | Confident | 79.6 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.6 | 172.9 | -63.6 | 170.9 | 0 | 0 | 0 | 113.1 | K444 T446 F448 P458 A529 L530 K534 | K444-L532 WeakPolarHBondContact CE-O 3.3Å; K444-L532 PolarHBondContact NZ-O 2.95Å; T446-L532 HydrophobicContact CG2-CD2 4.41Å; F448-L532 HydrophobicContact CE1-CD2 4.22Å; F448-L532 HydrophobicContact CZ-CD2 4.11Å; P458-L532 HydrophobicContact CB-CD2 3.62Å; P458-L532 HydrophobicContact CB-CG 4.06Å; P458-L532 HydrophobicContact CG-CD2 3.93Å; P458-L532 HydrophobicContact CG-CG 3.99Å; A529-L532 PolarHBondContact O-N 3.19Å; L530-L532 PolarHBondContact O-N 2.94Å; L532-K534 VanDerWaalsContact C-N 3.34Å; L532-K534 HydrophobicContact CB-CG 4.39Å |
| 533 | G | 78.8 | Confident | 81.9 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 15.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L530 N531 G535 | L530-G533 PolarHBondContact O-N 3.35Å; N531-G533 PolarHBondContact O-N 2.76Å; G533-G535 VanDerWaalsContact C-N 3.29Å; G533-G535 PolarHBondContact O-N 3.18Å; G533-G535 VanDerWaalsContact O-N 3.11Å |
| 534 | K | 79.7 | Confident | 83.8 | Confident | 97 Ų | 97 | 38 Ų | 38 | 42% | 0.422 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -87.8 | 67.1 | 178.5 | -60.5 | -180 | 178.5 | 173.9 | 0 | 111.2 | A529 L532 L832 | A529-K534 HydrophobicContact CB-CB 4.35Å; A529-K534 WeakPolarHBondContact O-CB 3.18Å; A529-K534 PolarHBondContact O-N 2.93Å; A529-K534 VanDerWaalsContact O-N 3.14Å; L532-K534 VanDerWaalsContact C-N 3.34Å; L532-K534 HydrophobicContact CB-CG 4.39Å; K534-L832 VanDerWaalsContact C-CD1 3.47Å |
| 535 | G | 78.3 | Confident | 85.3 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 23% | 0.227 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 131.1 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G533 G537 | G533-G535 VanDerWaalsContact C-N 3.29Å; G533-G535 PolarHBondContact O-N 3.18Å; G533-G535 VanDerWaalsContact O-N 3.11Å; G535-G537 PolarHBondContact O-N 3.41Å |
| 536 | Q | 81.8 | Confident | 86.6 | Confident | 93 Ų | 93 | 30.1 Ų | 30.1 | 44% | 0.435 | 16% | 0.16 | S | C | . | . | trans | -75.6 | 110.9 | 175.7 | -171.3 | -179 | 38.2 | 0 | 0 | 109.8 | V538 | Q536-V538 PolarHBondContact O-N 2.84Š| ||
| 537 | G | 85.5 | Confident | 87.6 | Confident | 7 Ų | 7 | 24.1 Ų | 24.1 | 7% | 0.072 | 13% | 0.134 | C | C | . | . | trans | -56.3 | 133.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G515 G535 R799 | G515-G537 CarbonylContact O-C 3.43Å; G535-G537 PolarHBondContact O-N 3.41Å; G537-R799 PolarHBondContact O-NH1 3.4Å | ||
| 538 | V | 88 | Confident | 88.2 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | trans | -99.5 | -25.7 | -171.2 | -53 | 0 | 0 | 0 | 0 | 113 | G515 P517 L530 Q536 W787 Y797 P829 | G515-V538 PolarHBondContact O-N 3.28Å; P517-V538 HydrophobicContact CG-CG2 3.71Å; L530-V538 HydrophobicContact CD1-CG1 3.99Å; L530-V538 HydrophobicContact CD1-CG2 4.46Å; Q536-V538 PolarHBondContact O-N 2.84Å; V538-W787 HydrophobicContact CB-CH2 4.39Å; V538-W787 HydrophobicContact CG2-CH2 4.02Å; V538-Y797 HydrophobicContact CB-CD1 4.26Å; V538-Y797 HydrophobicContact CB-CD2 4.22Å; V538-Y797 HydrophobicContact CB-CE1 3.82Å; V538-Y797 HydrophobicContact CB-CE2 3.75Å; V538-Y797 HydrophobicContact CB-CG 4.46Å; V538-Y797 HydrophobicContact CG1-CD1 4.43Å; V538-Y797 HydrophobicContact CG1-CE1 3.56Å; V538-Y797 HydrophobicContact CG1-CE2 4.01Å; V538-Y797 WeakPolarHBondContact CG1-OH 3.37Å; V538-P829 HydrophobicContact CG1-CB 3.95Å; V538-P829 HydrophobicContact CG1-CG 4.45Å; V538-P829 HydrophobicContact CG2-CB 4.3Å; V538-P829 HydrophobicContact CG2-CG 4.34Å | ||
| 539 | A | 90.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y514 G515 S516 W787 | Y514-A539 CarbonylContact C-O 3.54Å; Y514-A539 VanDerWaalsContact CA-O 3.27Å; Y514-A539 WeakPolarHBondContact CA-O 3.32Å; G515-A539 PolarHBondContact N-O 3.16Å; G515-A539 PolarHBondContact O-N 2.99Å; G515-A539 VanDerWaalsContact O-N 3.09Å; S516-A539 WeakPolarHBondContact O-CB 3.37Å; A539-W787 HydrophobicContact CB-CZ2 4.05Å |
| 540 | Y | 92.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 19 Ų | 19 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 135.1 | 170.1 | 176.1 | -102.9 | 0 | 0 | 0 | 110.4 | D374 N512 G542 R543 G608 P782 | D374-Y540 HydrophobicContact CB-CE1 3.69Å; D374-Y540 PolarHBondContact OD2-OH 2.93Å; N512-Y540 HydrophobicContact CB-CE2 4.46Å; Y540-G542 WeakPolarHBondContact CE2-O 3.46Å; Y540-G542 VanDerWaalsContact CZ-C 3.43Å; Y540-G542 VanDerWaalsContact CZ-CA 3.45Å; Y540-R543 HydrophobicContact CE2-CB 4.34Å; Y540-R543 WeakPolarHBondContact OH-CD 3.4Å; Y540-R543 VanDerWaalsContact OH-CG 3.31Å; Y540-R543 WeakPolarHBondContact OH-CG 3.49Å; Y540-G608 VanDerWaalsContact CD1-C 3.45Å; Y540-G608 VanDerWaalsContact CD1-CA 3.43Å; Y540-G608 VanDerWaalsContact CE1-CA 3.5Å; Y540-P782 HydrophobicContact CD2-CB 3.97Å; Y540-P782 HydrophobicContact CD2-CG 4.17Å; Y540-P782 HydrophobicContact CE2-CB 3.99Å; Y540-P782 HydrophobicContact CE2-CG 3.66Å |
| 541 | R | 91.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 22.7 Ų | 22.7 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 21.8 | -175.2 | -57.6 | -69.2 | -73.9 | 175.8 | 4.3 | 112 | P376 M378 I459 L513 | P376-R541 VanDerWaalsContact CD-O 3.26Å; P376-R541 WeakPolarHBondContact CD-O 3.43Å; P376-R541 HydrophobicContact CG-CB 4.48Å; P376-R541 VanDerWaalsContact CG-CZ 3.42Å; M378-R541 PolarHBondContact SD-NH2 2.97Å; I459-R541 PolarHBondContact O-NE 3.41Å; I459-R541 PolarHBondContact O-NH2 3Å; L513-R541 HydrophobicContact CB-CB 4.28Å; L513-R541 PolarHBondContact O-N 3.07Å |
| 542 | G | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.7 | -171.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | E373 D374 L513 Y540 | E373-G542 VanDerWaalsContact O-CA 3.25Å; E373-G542 WeakPolarHBondContact O-CA 3.43Å; D374-G542 WeakPolarHBondContact O-CA 3.17Å; L513-G542 WeakPolarHBondContact CA-O 3.15Å; L513-G542 VanDerWaalsContact CB-O 3.29Å; L513-G542 WeakPolarHBondContact CB-O 3.24Å; L513-G542 PolarHBondContact N-O 3.38Å; Y540-G542 WeakPolarHBondContact CE2-O 3.46Å; Y540-G542 VanDerWaalsContact CZ-C 3.43Å; Y540-G542 VanDerWaalsContact CZ-CA 3.45Å |
| 543 | R | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 151 | -180 | 62.6 | -177.1 | -166.6 | 154.7 | 8.1 | 111.1 | A372 E373 F510 I511 Y540 W655 E656 | A372-R543 CarbonylContact C-O 3.58Å; A372-R543 WeakPolarHBondContact CA-O 3.4Å; A372-R543 WeakPolarHBondContact CB-O 3.37Å; E373-R543 HydrophobicContact CB-CG 4.36Å; E373-R543 PolarHBondContact N-O 2.88Å; E373-R543 PolarHBondContact O-N 2.77Å; E373-R543 IonicContact OE2-CZ 3.04Å; E373-R543 IonicContact OE2-NE 3.96Å; E373-R543 PolarHBondContact OE2-NE 3.4Å; E373-R543 IonicContact OE2-NH2 2.67Å; E373-R543 PolarHBondContact OE2-NH2 3.16Å; F510-R543 HydrophobicContact CB-CB 4.49Å; F510-R543 HydrophobicContact CD1-CB 4.08Å; F510-R543 HydrophobicContact CD1-CG 3.57Å; F510-R543 HydrophobicContact CE1-CG 4Å; F510-R543 HydrophobicContact CG-CG 4.32Å; I511-R543 CarbonylContact O-C 3.39Å; I511-R543 WeakPolarHBondContact O-CA 3.44Å; I511-R543 WeakPolarHBondContact O-CB 3.49Å; Y540-R543 HydrophobicContact CE2-CB 4.34Å; Y540-R543 WeakPolarHBondContact OH-CD 3.4Å; Y540-R543 VanDerWaalsContact OH-CG 3.31Å; Y540-R543 WeakPolarHBondContact OH-CG 3.49Å; R543-W655 VanDerWaalsContact NH1-CE3 3.32Å; R543-E656 IonicContact CZ-OE2 3.6Å; R543-E656 VanDerWaalsContact NH1-CD 3.34Å; R543-E656 IonicContact NH1-OE1 3.81Å; R543-E656 PolarHBondContact NH1-OE1 3.27Å; R543-E656 VanDerWaalsContact NH1-OE1 3.13Å; R543-E656 IonicContact NH1-OE2 3.82Å; R543-E656 PolarHBondContact NH1-OE2 3.19Å; R543-E656 IonicContact NH2-OE2 2.73Å; R543-E656 PolarHBondContact NH2-OE2 2.88Å |
| 544 | V | 95.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.9 | -179.7 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | L369 M371 A372 F447 F510 I511 L513 L546 | L369-V544 HydrophobicContact CD1-CG2 3.47Å; L369-V544 VanDerWaalsContact CD1-CG2 3.47Å; M371-V544 WeakPolarHBondContact O-CG2 3.47Å; A372-V544 HydrophobicContact CB-CB 4.22Å; A372-V544 HydrophobicContact CB-CG2 4.44Å; F447-V544 HydrophobicContact CE1-CG2 4.34Å; F447-V544 HydrophobicContact CE2-CB 4.13Å; F447-V544 HydrophobicContact CE2-CG1 3.93Å; F447-V544 HydrophobicContact CE2-CG2 4.48Å; F447-V544 HydrophobicContact CZ-CB 3.75Å; F447-V544 HydrophobicContact CZ-CG1 3.94Å; F447-V544 HydrophobicContact CZ-CG2 3.67Å; F510-V544 CarbonylContact C-O 3.54Å; F510-V544 WeakPolarHBondContact CA-O 3.37Å; I511-V544 HydrophobicContact CB-CG1 4.06Å; I511-V544 PolarHBondContact N-O 3.22Å; I511-V544 PolarHBondContact O-N 3.23Å; L513-V544 HydrophobicContact CD2-CG1 4.34Å; V544-L546 HydrophobicContact CG1-CD2 4.12Å; V544-L546 HydrophobicContact CG2-CD2 4.37Å |
| 545 | L | 95.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.6 | 170.7 | -178.2 | 58.5 | 0 | 0 | 0 | 110 | Y370 M371 P508 S509 F510 I572 L576 | Y370-L545 HydrophobicContact CD2-CG 4.17Å; Y370-L545 PolarHBondContact N-O 3.29Å; M371-L545 HydrophobicContact CG-CB 4.13Å; M371-L545 HydrophobicContact CG-CD2 4.38Å; M371-L545 PolarHBondContact O-N 2.88Å; P508-L545 HydrophobicContact CB-CD1 4.48Å; S509-L545 VanDerWaalsContact C-CD1 3.48Å; F510-L545 HydrophobicContact CD1-CB 3.79Å; F510-L545 HydrophobicContact CD2-CB 4.44Å; F510-L545 HydrophobicContact CD2-CD1 4.06Å; F510-L545 HydrophobicContact CE1-CB 3.58Å; F510-L545 HydrophobicContact CE2-CB 4.24Å; F510-L545 HydrophobicContact CE2-CD1 4.17Å; F510-L545 HydrophobicContact CE2-CD2 4.24Å; F510-L545 HydrophobicContact CE2-CG 4.46Å; F510-L545 HydrophobicContact CG-CB 4.23Å; F510-L545 HydrophobicContact CG-CD1 4.35Å; F510-L545 HydrophobicContact CZ-CB 3.82Å; F510-L545 HydrophobicContact CZ-CD2 4.15Å; F510-L545 HydrophobicContact CZ-CG 4.42Å; L545-I572 HydrophobicContact CD2-CD1 4.23Å; L545-I572 HydrophobicContact CD2-CG1 3.68Å; L545-I572 HydrophobicContact CG-CG1 4.47Å; L545-L576 HydrophobicContact CD2-CD2 3.65Å; L545-L576 HydrophobicContact CD2-CG 4.48Å |
| 546 | L | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 166 | 176.6 | 63.9 | 82.2 | 0 | 0 | 0 | 112 | L368 F445 I464 F506 P508 S509 I511 V544 | L368-L546 VanDerWaalsContact O-CA 3.24Å; L368-L546 WeakPolarHBondContact O-CA 3.29Å; L368-L546 WeakPolarHBondContact O-CB 3.2Å; F445-L546 HydrophobicContact CD1-CD2 3.8Å; F445-L546 HydrophobicContact CD2-CD2 4.3Å; F445-L546 HydrophobicContact CE1-CD2 3.59Å; F445-L546 HydrophobicContact CE2-CD2 4.11Å; F445-L546 HydrophobicContact CG-CD2 4.15Å; F445-L546 HydrophobicContact CZ-CD1 4.37Å; F445-L546 HydrophobicContact CZ-CD2 3.74Å; I464-L546 HydrophobicContact CD1-CD1 4.15Å; F506-L546 HydrophobicContact CD1-CD1 3.56Å; F506-L546 HydrophobicContact CE1-CD1 3.64Å; F506-L546 HydrophobicContact CE1-CG 4.35Å; P508-L546 WeakPolarHBondContact CA-O 3.45Å; S509-L546 PolarHBondContact N-O 3Å; S509-L546 VanDerWaalsContact N-O 3.11Å; S509-L546 PolarHBondContact O-N 3.32Å; I511-L546 HydrophobicContact CD1-CD1 4.06Å; I511-L546 HydrophobicContact CD1-CD2 3.93Å; I511-L546 HydrophobicContact CD1-CG 4.07Å; V544-L546 HydrophobicContact CG1-CD2 4.12Å; V544-L546 HydrophobicContact CG2-CD2 4.37Å |
| 547 | E | 95.3 | Very high | 87.8 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.4 | 172.7 | 178.3 | -178.4 | 175.8 | 0 | 0 | 107.9 | I367 L368 Y370 F506 P508 R571 | I367-E547 CarbonylContact C-O 3.57Å; I367-E547 WeakPolarHBondContact CA-O 3.28Å; L368-E547 HydrophobicContact CB-CB 4.2Å; L368-E547 HydrophobicContact CD1-CB 4.29Å; L368-E547 HydrophobicContact CD1-CG 4.22Å; L368-E547 WeakPolarHBondContact CD1-OE2 3.49Å; L368-E547 PolarHBondContact N-O 2.7Å; L368-E547 PolarHBondContact O-N 2.89Å; Y370-E547 HydrophobicContact CE2-CB 3.88Å; Y370-E547 PolarHBondContact OH-OE2 2.7Å; F506-E547 CarbonylContact O-C 3.57Å; F506-E547 WeakPolarHBondContact O-CA 3.44Å; P508-E547 HydrophobicContact CB-CB 4.34Å; P508-E547 HydrophobicContact CG-CB 4.34Å; P508-E547 HydrophobicContact CG-CG 4.28Å; P508-E547 WeakPolarHBondContact CG-OE2 3.28Å; E547-R571 IonicContact OE1-CZ 2.79Å; E547-R571 IonicContact OE1-NH1 2.74Å; E547-R571 IonicContact OE1-NH2 2.68Å; E547-R571 PolarHBondContact OE1-NH2 3Å; E547-R571 IonicContact OE2-CZ 3.8Å; E547-R571 IonicContact OE2-NH2 3.53Å; E547-R571 PolarHBondContact OE2-NH2 2.96Å |
| 548 | L | 95.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.6 | 176.6 | 167.3 | 69.1 | 0 | 0 | 0 | 107.8 | F365 K366 I367 L443 I469 T505 F506 | F365-L548 HydrophobicContact CB-CD1 3.62Å; F365-L548 HydrophobicContact CD1-CD1 3.84Å; F365-L548 HydrophobicContact CD2-CD1 4.29Å; F365-L548 HydrophobicContact CG-CD1 3.68Å; K366-L548 WeakPolarHBondContact O-CA 3.1Å; I367-L548 HydrophobicContact CD1-CD1 4.48Å; I367-L548 HydrophobicContact CG1-CD1 3.67Å; L443-L548 HydrophobicContact CD2-CD2 3.81Å; I469-L548 HydrophobicContact CD1-CD2 3.49Å; I469-L548 VanDerWaalsContact CD1-CD2 3.49Å; T505-L548 WeakPolarHBondContact CA-O 2.91Å; F506-L548 HydrophobicContact CB-CB 4.15Å; F506-L548 PolarHBondContact N-O 2.74Å; F506-L548 PolarHBondContact O-N 3.28Å |
| 549 | S | 92.2 | Very high | 87.3 | Confident | 31 Ų | 31 | 40.4 Ų | 40.4 | 22% | 0.217 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.8 | 164.9 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | K366 | K366-S549 PolarHBondContact N-O 2.71Å; K366-S549 PolarHBondContact O-N 3.11Å |
| 550 | T | 90 | Very high | 87.1 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.9 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | A363 I364 F365 F436 L503 P504 | A363-T550 HydrophobicContact CB-CG2 4.47Å; I364-T550 WeakPolarHBondContact O-CA 3.42Å; F365-T550 HydrophobicContact CD1-CG2 4.23Å; F365-T550 WeakPolarHBondContact CD1-OG1 3.5Å; F365-T550 HydrophobicContact CE1-CG2 4.14Å; F365-T550 VanDerWaalsContact CE1-OG1 3.24Å; F365-T550 WeakPolarHBondContact CE1-OG1 3.18Å; F436-T550 HydrophobicContact CD2-CG2 4.22Å; F436-T550 HydrophobicContact CE2-CG2 4.37Å; L503-T550 HydrophobicContact CB-CG2 4.39Å; L503-T550 HydrophobicContact CD1-CG2 4.36Å; P504-T550 WeakPolarHBondContact CB-OG1 3.23Å; P504-T550 PolarHBondContact O-N 2.84Å; P504-T550 PolarHBondContact O-OG1 2.69Å |
| 551 | E | 87.2 | Confident | 87 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.2 | 172.2 | -68.7 | 178.6 | -165.3 | 0 | 0 | 110.1 | A363 I364 K366 | A363-E551 CarbonylContact C-O 3.57Å; A363-E551 WeakPolarHBondContact CA-O 3.23Å; A363-E551 WeakPolarHBondContact CB-O 3.29Å; I364-E551 HydrophobicContact CD1-CB 4.27Å; I364-E551 HydrophobicContact CG1-CB 3.85Å; I364-E551 PolarHBondContact N-O 2.89Å; I364-E551 PolarHBondContact O-N 2.83Å; K366-E551 WeakPolarHBondContact CD-OE1 3.13Å; K366-E551 VanDerWaalsContact CE-OE1 3.26Å; K366-E551 WeakPolarHBondContact CE-OE1 3.44Å; K366-E551 WeakPolarHBondContact CE-OE2 3.36Å; K366-E551 IonicContact NZ-OE1 3.23Å; K366-E551 PolarHBondContact NZ-OE1 3.18Å; K366-E551 IonicContact NZ-OE2 2.62Å; K366-E551 PolarHBondContact NZ-OE2 3.34Å |
| 552 | L | 82.3 | Confident | 87.1 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 130.6 | 174.4 | -57 | -180 | 0 | 0 | 0 | 109.1 | A363 F436 L503 | A363-L552 HydrophobicContact CB-CD2 3.88Å; F436-L552 HydrophobicContact CB-CD2 4.04Å; F436-L552 HydrophobicContact CD1-CD2 3.72Å; F436-L552 HydrophobicContact CE1-CD2 4.46Å; F436-L552 HydrophobicContact CG-CD2 3.91Å; L503-L552 HydrophobicContact CD1-CD1 4.18Å; L503-L552 HydrophobicContact CD1-CD2 4.39Å; L503-L552 HydrophobicContact CD1-CG 3.97Å |
| 553 | L | 80.4 | Confident | 87 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | trans | -115.6 | 165.7 | -176.4 | -57.3 | 179.1 | 0 | 0 | 0 | 111.3 | R361 P362 I364 T557 | R361-L553 WeakPolarHBondContact CG-O 3.4Å; R361-L553 PolarHBondContact NE-O 2.67Å; P362-L553 WeakPolarHBondContact O-CA 3.14Å; P362-L553 PolarHBondContact O-N 3.03Å; I364-L553 HydrophobicContact CB-CD1 4.36Å; I364-L553 HydrophobicContact CD1-CD1 4.11Å; I364-L553 HydrophobicContact CD1-CD2 4.32Å; I364-L553 HydrophobicContact CG1-CD1 4.01Å; I364-L553 HydrophobicContact CG1-CD2 4.46Å; I364-L553 HydrophobicContact CG1-CG 4.26Å; I364-L553 HydrophobicContact CG2-CD1 3.59Å; L553-T557 VanDerWaalsContact CD1-OG1 3.31Å; L553-T557 WeakPolarHBondContact CD1-OG1 3.37Å | ||
| 554 | D | 73.9 | Confident | 86.7 | Confident | 137 Ų | 137 | 56.3 Ų | 56.3 | 73% | 0.733 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -94.8 | -32 | 173.2 | -60.2 | -24 | 0 | 0 | 0 | 111.6 | R361 | R361-D554 IonicContact CZ-OD1 3.76Å; R361-D554 IonicContact NE-OD1 2.57Å; R361-D554 IonicContact NH2-OD1 2.77Å; R361-D554 PolarHBondContact NH2-OD1 2.57Å |
| 555 | E | 74.5 | Confident | 86.4 | Confident | 157 Ų | 157 | 62.5 Ų | 62.5 | 73% | 0.734 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -127 | 145 | 175.7 | -67.8 | -174.4 | 176.4 | 0 | 0 | 111 | T557 | E555-T557 PolarHBondContact O-N 2.97Š|
| 556 | P | 73.5 | Confident | 85.9 | Confident | 87 Ų | 87 | 70.4 Ų | 70.4 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 133.1 | 179.2 | 25.8 | -32.8 | 0 | 0 | 0 | 111.3 | P362 | P362-P556 HydrophobicContact CB-CB 4.25Š|
| 557 | T | 77.4 | Confident | 85.5 | Confident | 66 Ų | 66 | 76.7 Ų | 76.7 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 149.5 | 174.2 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | N433 L553 E555 | N433-T557 WeakPolarHBondContact CB-O 3.38Å; N433-T557 VanDerWaalsContact CG-O 3.24Å; N433-T557 PolarHBondContact ND2-O 3.18Å; L553-T557 VanDerWaalsContact CD1-OG1 3.31Å; L553-T557 WeakPolarHBondContact CD1-OG1 3.37Å; E555-T557 PolarHBondContact O-N 2.97Å |
| 558 | A | 77.6 | Confident | 85 | Confident | 78 Ų | 78 | 78 Ų | 78 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 146.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L560 | A558-L560 PolarHBondContact O-N 3.15Š|
| 559 | D | 83.7 | Confident | 84.6 | Confident | 74 Ų | 74 | 79.5 Ų | 79.5 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 130.4 | 172.1 | -64.8 | -28.9 | 0 | 0 | 0 | 109.7 | I413 T431 N433 | I413-D559 HydrophobicContact CD1-CB 3.8Å; I413-D559 HydrophobicContact CG1-CB 4.47Å; T431-D559 WeakPolarHBondContact O-CA 3.42Å; N433-D559 WeakPolarHBondContact CB-OD1 3.48Å; N433-D559 PolarHBondContact N-OD1 2.84Å |
| 560 | L | 87.5 | Confident | 84.3 | Confident | 94 Ų | 94 | 81 Ų | 81 | 49% | 0.492 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 140.3 | -173.4 | -177.1 | 68.9 | 0 | 0 | 0 | 110.7 | T431 A558 K562 | T431-L560 PolarHBondContact N-O 2.97Å; T431-L560 PolarHBondContact O-N 2.9Å; T431-L560 VanDerWaalsContact O-N 3.1Å; A558-L560 PolarHBondContact O-N 3.15Å; L560-K562 HydrophobicContact CD2-CB 4.41Å; L560-K562 HydrophobicContact CD2-CD 4.27Å |
| 561 | V | 90.7 | Very high | 84.1 | Confident | 49 Ų | 49 | 86.6 Ų | 86.6 | 30% | 0.297 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.2 | 165.7 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | I413 E428 E429 I430 | I413-V561 HydrophobicContact CG2-CG2 3.5Å; I413-V561 VanDerWaalsContact CG2-CG2 3.5Å; E428-V561 HydrophobicContact CB-CG1 4.15Å; E428-V561 HydrophobicContact CG-CG1 4.36Å; E429-V561 WeakPolarHBondContact O-CA 3.41Å; I430-V561 HydrophobicContact CG1-CG1 4.24Å; I430-V561 HydrophobicContact CG1-CG2 4.18Å |
| 562 | K | 91.9 | Very high | 84.1 | Confident | 82 Ų | 82 | 83.1 Ų | 83.1 | 36% | 0.357 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.4 | 178 | 67 | 179.3 | -179.5 | -171.6 | 0 | 111.3 | E428 E429 L560 | E428-K562 CarbonylContact C-O 3.6Å; E428-K562 WeakPolarHBondContact CA-O 3.42Å; E429-K562 HydrophobicContact CB-CG 4.01Å; E429-K562 PolarHBondContact N-O 3.26Å; E429-K562 PolarHBondContact O-N 3.43Å; E429-K562 WeakPolarHBondContact OE1-CE 3.47Å; E429-K562 IonicContact OE1-NZ 2.75Å; E429-K562 PolarHBondContact OE1-NZ 3.34Å; E429-K562 IonicContact OE2-NZ 2.89Å; L560-K562 HydrophobicContact CD2-CB 4.41Å; L560-K562 HydrophobicContact CD2-CD 4.27Å |
| 563 | P | 91.8 | Very high | 84.2 | Confident | 110 Ų | 110 | 86.5 Ų | 86.5 | 71% | 0.714 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 145.5 | 172.1 | -21.5 | 33.3 | 0 | 0 | 0 | 112.3 | ||
| 564 | L | 89.3 | Confident | 84.3 | Confident | 20 Ų | 20 | 92.3 Ų | 92.3 | 11% | 0.105 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 147.7 | 174.6 | -72.1 | 174.4 | 0 | 0 | 0 | 112.2 | L368 Y370 N427 E429 K568 V569 | L368-L564 HydrophobicContact CB-CD1 4.42Å; L368-L564 HydrophobicContact CB-CD2 4.16Å; L368-L564 HydrophobicContact CD2-CD2 3.32Å; L368-L564 HydrophobicContact CG-CD2 4.24Å; Y370-L564 HydrophobicContact CD1-CD1 3.78Å; Y370-L564 HydrophobicContact CE1-CD1 3.78Å; N427-L564 VanDerWaalsContact C-CD1 3.47Å; N427-L564 VanDerWaalsContact C-CG 3.41Å; N427-L564 HydrophobicContact CB-CB 4.37Å; N427-L564 HydrophobicContact CB-CD1 4.18Å; N427-L564 WeakPolarHBondContact O-CB 2.88Å; N427-L564 WeakPolarHBondContact O-CG 3.32Å; N427-L564 PolarHBondContact O-N 3.43Å; E429-L564 HydrophobicContact CB-CD2 3.77Å; L564-K568 HydrophobicContact CD2-CD 4.2Å; L564-V569 HydrophobicContact CB-CG2 3.99Å; L564-V569 HydrophobicContact CD1-CG2 4.46Å |
| 565 | E | 88.2 | Confident | 84.9 | Confident | 131 Ų | 131 | 86.5 Ų | 86.5 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 141.8 | 169.8 | -67.5 | 175 | 179.7 | 0 | 0 | 111.2 | D567 K568 V569 | E565-D567 PolarHBondContact O-N 2.99Å; E565-K568 WeakPolarHBondContact O-CB 3.42Å; E565-K568 PolarHBondContact O-N 3.11Å; E565-V569 PolarHBondContact O-N 3Å |
| 566 | Q | 85.8 | Confident | 85.5 | Confident | 168 Ų | 168 | 80.9 Ų | 80.9 | 79% | 0.785 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.4 | -27.9 | -173.3 | -162.1 | 157.9 | 8.9 | 0 | 0 | 113.1 | V569 A570 | Q566-V569 PolarHBondContact O-N 3.46Å; Q566-A570 WeakPolarHBondContact O-CB 3.38Å; Q566-A570 PolarHBondContact O-N 2.9Å |
| 567 | D | 86.7 | Confident | 86.3 | Confident | 132 Ų | 132 | 83.6 Ų | 83.6 | 71% | 0.706 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.2 | -38.8 | 175 | -68.9 | -17.4 | 0 | 0 | 0 | 112.3 | E565 A570 R571 | E565-D567 PolarHBondContact O-N 2.99Å; D567-A570 PolarHBondContact O-N 3.01Å; D567-R571 PolarHBondContact O-N 3.1Å |
| 568 | K | 84.9 | Confident | 87 | Confident | 54 Ų | 54 | 84.5 Ų | 84.5 | 24% | 0.235 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 175.3 | -64.7 | -173 | -177 | -175.6 | 0 | 111 | L368 E429 L564 E565 R571 I572 | L368-K568 HydrophobicContact CD1-CD 4.28Å; L368-K568 HydrophobicContact CD2-CD 4.42Å; E429-K568 IonicContact OE2-NZ 2.69Å; E429-K568 PolarHBondContact OE2-NZ 2.9Å; L564-K568 HydrophobicContact CD2-CD 4.2Å; E565-K568 WeakPolarHBondContact O-CB 3.42Å; E565-K568 PolarHBondContact O-N 3.11Å; K568-R571 WeakPolarHBondContact O-CB 3.33Å; K568-R571 PolarHBondContact O-N 2.85Å; K568-I572 PolarHBondContact O-N 3.46Å |
| 569 | V | 86.2 | Confident | 87.8 | Confident | 31 Ų | 31 | 83.1 Ų | 83.1 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.2 | -35.3 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | N427 L564 E565 Q566 I572 | N427-V569 HydrophobicContact CB-CG2 4.1Å; L564-V569 HydrophobicContact CB-CG2 3.99Å; L564-V569 HydrophobicContact CD1-CG2 4.46Å; E565-V569 PolarHBondContact O-N 3Å; Q566-V569 PolarHBondContact O-N 3.46Å; V569-I572 VanDerWaalsContact O-CG2 3.32Å; V569-I572 WeakPolarHBondContact O-CG2 3.33Å |
| 570 | A | 86.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q566 D567 I572 Q573 | Q566-A570 WeakPolarHBondContact O-CB 3.38Å; Q566-A570 PolarHBondContact O-N 2.9Å; D567-A570 PolarHBondContact O-N 3.01Å; A570-I572 VanDerWaalsContact C-N 3.31Å; A570-I572 PolarHBondContact O-N 2.69Å; A570-Q573 WeakPolarHBondContact O-CB 3.08Å; A570-Q573 WeakPolarHBondContact O-CG 3.49Å; A570-Q573 PolarHBondContact O-N 2.95Å |
| 571 | R | 85.9 | Confident | 88.5 | Confident | 132 Ų | 132 | 80.5 Ų | 80.5 | 50% | 0.498 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 178.2 | -175.1 | -178 | 69.2 | 168.5 | 4.8 | 112.5 | E547 D567 K568 Q573 | E547-R571 IonicContact OE1-CZ 2.79Å; E547-R571 IonicContact OE1-NH1 2.74Å; E547-R571 IonicContact OE1-NH2 2.68Å; E547-R571 PolarHBondContact OE1-NH2 3Å; E547-R571 IonicContact OE2-CZ 3.8Å; E547-R571 IonicContact OE2-NH2 3.53Å; E547-R571 PolarHBondContact OE2-NH2 2.96Å; D567-R571 PolarHBondContact O-N 3.1Å; K568-R571 WeakPolarHBondContact O-CB 3.33Å; K568-R571 PolarHBondContact O-N 2.85Å; R571-Q573 VanDerWaalsContact C-N 3.27Å; R571-Q573 PolarHBondContact O-N 3.16Å |
| 572 | I | 87.2 | Confident | 88.7 | Confident | 5 Ų | 5 | 78.5 Ų | 78.5 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.5 | -18.5 | -173.9 | -155 | 62.4 | 0 | 0 | 0 | 113.8 | Y370 P508 L545 K568 V569 A570 K574 S575 L576 | Y370-I572 HydrophobicContact CD1-CB 4.35Å; Y370-I572 HydrophobicContact CD1-CG1 4.37Å; Y370-I572 HydrophobicContact CD1-CG2 4.15Å; Y370-I572 HydrophobicContact CD2-CG1 4.41Å; Y370-I572 HydrophobicContact CE1-CB 4.17Å; Y370-I572 HydrophobicContact CE1-CG1 4.38Å; Y370-I572 HydrophobicContact CE1-CG2 4.38Å; Y370-I572 HydrophobicContact CE2-CD1 4.2Å; Y370-I572 HydrophobicContact CE2-CG1 4.43Å; Y370-I572 HydrophobicContact CG-CG1 4.38Å; P508-I572 HydrophobicContact CB-CD1 3.11Å; P508-I572 HydrophobicContact CG-CD1 3.53Å; L545-I572 HydrophobicContact CD2-CD1 4.23Å; L545-I572 HydrophobicContact CD2-CG1 3.68Å; L545-I572 HydrophobicContact CG-CG1 4.47Å; K568-I572 PolarHBondContact O-N 3.46Å; V569-I572 VanDerWaalsContact O-CG2 3.32Å; V569-I572 WeakPolarHBondContact O-CG2 3.33Å; A570-I572 VanDerWaalsContact C-N 3.31Å; A570-I572 PolarHBondContact O-N 2.69Å; I572-K574 PolarHBondContact O-N 3.1Å; I572-S575 WeakPolarHBondContact O-CA 3.38Å; I572-S575 WeakPolarHBondContact O-CB 3.45Å; I572-S575 PolarHBondContact O-N 2.8Å; I572-L576 PolarHBondContact O-N 3.45Å |
| 573 | Q | 85.3 | Confident | 88.9 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -31.3 | -177.6 | -65 | -61.1 | -48.9 | 0 | 0 | 112.8 | A570 R571 L576 | A570-Q573 WeakPolarHBondContact O-CB 3.08Å; A570-Q573 WeakPolarHBondContact O-CG 3.49Å; A570-Q573 PolarHBondContact O-N 2.95Å; R571-Q573 VanDerWaalsContact C-N 3.27Å; R571-Q573 PolarHBondContact O-N 3.16Å; Q573-L576 PolarHBondContact O-N 2.77Å |
| 574 | K | 82.7 | Confident | 89 | Confident | 155 Ų | 155 | 70.3 Ų | 70.3 | 67% | 0.674 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -33.2 | 175.6 | -66 | -177.4 | -179.1 | 178.9 | 0 | 113 | I572 L576 R577 P723 | I572-K574 PolarHBondContact O-N 3.1Å; K574-L576 PolarHBondContact O-N 2.93Å; K574-R577 WeakPolarHBondContact O-CB 3.31Å; K574-R577 PolarHBondContact O-N 2.91Å; K574-P723 HydrophobicContact CB-CG 3.7Å |
| 575 | S | 85.2 | Confident | 89.3 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.7 | 178 | -53.9 | 0 | 0 | 0 | 0 | 113 | I572 R577 | I572-S575 WeakPolarHBondContact O-CA 3.38Å; I572-S575 WeakPolarHBondContact O-CB 3.45Å; I572-S575 PolarHBondContact O-N 2.8Å; S575-R577 VanDerWaalsContact C-N 3.34Å |
| 576 | L | 87.3 | Confident | 89.6 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3.7 | 174.1 | -63.6 | 175.6 | 0 | 0 | 0 | 113.2 | M371 F510 L545 I572 Q573 K574 R578 | M371-L576 HydrophobicContact SD-CD1 4.18Å; M371-L576 HydrophobicContact SD-CD2 3.98Å; F510-L576 HydrophobicContact CE2-CD2 4.19Å; F510-L576 HydrophobicContact CZ-CD2 4.02Å; L545-L576 HydrophobicContact CD2-CD2 3.65Å; L545-L576 HydrophobicContact CD2-CG 4.48Å; I572-L576 PolarHBondContact O-N 3.45Å; Q573-L576 PolarHBondContact O-N 2.77Å; K574-L576 PolarHBondContact O-N 2.93Å; L576-R578 WeakPolarHBondContact O-CG 3.41Å; L576-R578 PolarHBondContact O-N 2.89Å |
| 577 | R | 90.2 | Very high | 90 | Very high | 143 Ų | 143 | 55.2 Ų | 55.2 | 54% | 0.54 | 26% | 0.255 | S | S | . | . | trans | -64.8 | 122.2 | 177.4 | -175.4 | -176.2 | 179.6 | -166.7 | -0.5 | 109.7 | K574 S575 | K574-R577 WeakPolarHBondContact O-CB 3.31Å; K574-R577 PolarHBondContact O-N 2.91Å; S575-R577 VanDerWaalsContact C-N 3.34Å | ||
| 578 | R | 92.4 | Very high | 90.3 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 154.6 | 178.2 | -55.1 | -177.2 | -163 | -168.5 | 4.4 | 111.7 | E373 L576 Q654 W655 | E373-R578 IonicContact OE1-NH2 2.75Å; E373-R578 PolarHBondContact OE1-NH2 3.3Å; E373-R578 IonicContact OE2-CZ 3Å; E373-R578 IonicContact OE2-NH1 3.58Å; E373-R578 IonicContact OE2-NH2 2.77Å; E373-R578 PolarHBondContact OE2-NH2 3.24Å; L576-R578 WeakPolarHBondContact O-CG 3.41Å; L576-R578 PolarHBondContact O-N 2.89Å; R578-Q654 HydrophobicContact CB-CB 4.21Å; R578-W655 CarbonylContact C-O 3.42Å; R578-W655 WeakPolarHBondContact CA-O 3.48Å |
| 579 | R | 93.9 | Very high | 90.7 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 19% | 0.185 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 160 | 167.6 | -60.5 | -176.9 | 77.6 | 159.1 | 12.8 | 109.1 | Y581 Q654 W655 D657 E720 L854 | R579-Y581 HydrophobicContact CB-CE2 4.26Å; R579-Q654 VanDerWaalsContact O-CA 3.24Å; R579-Q654 WeakPolarHBondContact O-CA 3.39Å; R579-W655 PolarHBondContact N-O 3.11Å; R579-W655 PolarHBondContact O-N 3.18Å; R579-W655 VanDerWaalsContact O-N 3.08Å; R579-D657 WeakPolarHBondContact CD-OD2 3.38Å; R579-D657 HydrophobicContact CG-CB 4.16Å; R579-D657 IonicContact CZ-OD2 3.95Å; R579-D657 IonicContact NE-OD2 2.67Å; R579-D657 IonicContact NH1-OD2 3.79Å; R579-D657 PolarHBondContact NH1-OD2 2.92Å; R579-E720 IonicContact CZ-OE2 3.06Å; R579-E720 IonicContact NH1-OE2 2.86Å; R579-E720 PolarHBondContact NH1-OE2 3.37Å; R579-E720 IonicContact NH2-OE2 3.02Å; R579-E720 PolarHBondContact NH2-OE2 2.71Å; R579-L854 HydrophobicContact CB-CD2 3.73Å; R579-L854 HydrophobicContact CG-CD2 4.47Å |
| 580 | K | 92.9 | Very high | 91.1 | Very high | 108 Ų | 108 | 47.1 Ų | 47.1 | 47% | 0.47 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 126.2 | 175.3 | -67.7 | 175.1 | 170.4 | -170.9 | 0 | 110.1 | Q654 E855 | K580-Q654 HydrophobicContact CG-CG 4.12Å; K580-E855 HydrophobicContact CB-CB 3.97Å; K580-E855 WeakPolarHBondContact CD-OE2 3.15Å; K580-E855 IonicContact NZ-OE1 3.22Å; K580-E855 IonicContact NZ-OE2 3.45Å; K580-E855 PolarHBondContact O-N 3.41Å |
| 581 | Y | 94.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148.5 | 173 | -76.9 | -97.4 | 0 | 0 | 0 | 109.7 | R579 S653 W655 L806 F852 G853 L854 | R579-Y581 HydrophobicContact CB-CE2 4.26Å; Y581-S653 PolarHBondContact N-O 2.82Å; Y581-S653 PolarHBondContact O-N 2.87Å; Y581-S653 VanDerWaalsContact O-O 3.05Å; Y581-S653 PolarHBondContact O-OG 2.83Å; Y581-W655 HydrophobicContact CD2-CB 4.01Å; Y581-W655 HydrophobicContact CD2-CG 4.48Å; Y581-W655 HydrophobicContact CE2-CB 4.1Å; Y581-L806 HydrophobicContact CE1-CD1 4.27Å; Y581-F852 AromaticContact CD1-CE1 3.97Å; Y581-F852 HydrophobicContact CD1-CE1 3.97Å; Y581-F852 AromaticContact CD1-CE2 3.97Å; Y581-F852 HydrophobicContact CD1-CE2 3.97Å; Y581-F852 AromaticContact CD1-CZ 3.6Å; Y581-F852 HydrophobicContact CD1-CZ 3.6Å; Y581-F852 HydrophobicContact CE1-CE1 4.34Å; Y581-F852 HydrophobicContact CE1-CZ 4.33Å; Y581-F852 HydrophobicContact CG-CE2 4.09Å; Y581-F852 AromaticContact CG-CZ 3.86Å; Y581-F852 HydrophobicContact CG-CZ 3.86Å; Y581-G853 CarbonylContact C-O 3.49Å; Y581-G853 VanDerWaalsContact CA-O 3.25Å; Y581-G853 WeakPolarHBondContact CA-O 3.14Å; Y581-G853 WeakPolarHBondContact CD1-O 3.33Å; Y581-L854 HydrophobicContact CD1-CD2 4.19Å; Y581-L854 HydrophobicContact CD1-CG 4.48Å; Y581-L854 HydrophobicContact CD2-CD2 4.05Å; Y581-L854 HydrophobicContact CE1-CD2 3.74Å; Y581-L854 HydrophobicContact CE1-CG 3.96Å; Y581-L854 HydrophobicContact CE2-CD2 3.59Å; Y581-L854 HydrophobicContact CG-CD2 4.32Å; Y581-L854 VanDerWaalsContact CZ-CD2 3.4Å |
| 582 | Q | 93.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136.7 | 172.6 | -62 | -168 | -58.3 | 0 | 0 | 109.5 | Y584 D652 W851 G853 E855 | Q582-Y584 HydrophobicContact CB-CD2 4.35Å; Q582-Y584 HydrophobicContact CB-CE2 3.86Å; Q582-D652 PolarHBondContact NE2-OD1 3.29Å; Q582-W851 HydrophobicContact CB-CZ3 4.33Å; Q582-W851 WeakPolarHBondContact O-CZ3 3.29Å; Q582-G853 PolarHBondContact N-O 3.02Å; Q582-G853 PolarHBondContact O-N 2.52Å; Q582-G853 VanDerWaalsContact O-N 3.09Å; Q582-E855 HydrophobicContact CG-CB 4.24Å; Q582-E855 HydrophobicContact CG-CG 4.37Å |
| 583 | L | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.2 | 173.1 | 171.1 | 63.6 | 0 | 0 | 0 | 108.7 | V585 I605 I607 M650 V651 I784 V850 W851 F852 | L583-V585 HydrophobicContact CD1-CG2 4.04Å; L583-V585 HydrophobicContact CG-CG2 4.17Å; L583-I605 HydrophobicContact CD2-CG2 3.46Å; L583-I605 VanDerWaalsContact CD2-CG2 3.46Å; L583-I605 HydrophobicContact CG-CG2 4.21Å; L583-I607 HydrophobicContact CD2-CB 4.34Å; L583-I607 HydrophobicContact CD2-CG2 4.21Å; L583-M650 WeakPolarHBondContact O-CA 3.32Å; L583-V651 HydrophobicContact CB-CB 4.22Å; L583-V651 HydrophobicContact CD2-CB 4.47Å; L583-V651 PolarHBondContact N-O 2.81Å; L583-V651 PolarHBondContact O-N 2.96Å; L583-I784 HydrophobicContact CD1-CD1 3.71Å; L583-I784 HydrophobicContact CD1-CG1 4.22Å; L583-I784 HydrophobicContact CD2-CD1 4.35Å; L583-I784 HydrophobicContact CD2-CG1 3.94Å; L583-I784 HydrophobicContact CD2-CG2 3.81Å; L583-V850 HydrophobicContact CD1-CG1 3.93Å; L583-W851 WeakPolarHBondContact CA-O 3.34Å; L583-F852 HydrophobicContact CB-CD2 4.04Å; L583-F852 HydrophobicContact CD1-CB 4.11Å; L583-F852 HydrophobicContact CD1-CD2 4.44Å |
| 584 | Y | 94.6 | Very high | 91.4 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132 | 172 | -71.8 | -87.9 | 0 | 0 | 0 | 109.8 | Q582 T649 M650 V850 W851 W861 L870 | Q582-Y584 HydrophobicContact CB-CD2 4.35Å; Q582-Y584 HydrophobicContact CB-CE2 3.86Å; Y584-T649 WeakPolarHBondContact CA-O 3.47Å; Y584-M650 HydrophobicContact CD1-CB 4.22Å; Y584-M650 HydrophobicContact CD1-CG 4.15Å; Y584-M650 HydrophobicContact CE1-CB 3.97Å; Y584-M650 HydrophobicContact CE1-CG 3.57Å; Y584-M650 HydrophobicContact CE1-SD 3.98Å; Y584-M650 HydrophobicContact CE2-CG 4.41Å; Y584-M650 PolarHBondContact OH-SD 2.89Å; Y584-V850 WeakPolarHBondContact O-CA 3.13Å; Y584-W851 AromaticContact CD2-CE3 3.77Å; Y584-W851 HydrophobicContact CD2-CE3 3.77Å; Y584-W851 HydrophobicContact CD2-CZ3 4.07Å; Y584-W851 HydrophobicContact CE2-CZ3 4.39Å; Y584-W851 PolarHBondContact N-O 2.76Å; Y584-W851 PolarHBondContact O-N 3.22Å; Y584-W861 AromaticContact CD1-CD1 3.9Å; Y584-W861 HydrophobicContact CD1-CG 4.43Å; Y584-W861 AromaticContact CD1-NE1 3.62Å; Y584-W861 HydrophobicContact CD2-CB 4.43Å; Y584-W861 HydrophobicContact CD2-CD2 4.45Å; Y584-W861 HydrophobicContact CD2-CG 4.08Å; Y584-W861 AromaticContact CG-CD1 3.9Å; Y584-W861 AromaticContact CG-CD2 4Å; Y584-W861 HydrophobicContact CG-CD2 4Å; Y584-W861 AromaticContact CG-CE2 3.92Å; Y584-W861 AromaticContact CG-CG 3.99Å; Y584-W861 HydrophobicContact CG-CG 3.99Å; Y584-W861 AromaticContact CG-NE1 3.86Å; Y584-L870 HydrophobicContact CE1-CD1 4.29Å |
| 585 | V | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 112.6 | 171.8 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | L583 F587 I605 C648 T649 V848 V849 V850 | L583-V585 HydrophobicContact CD1-CG2 4.04Å; L583-V585 HydrophobicContact CG-CG2 4.17Å; V585-F587 HydrophobicContact CB-CE2 4.19Å; V585-F587 HydrophobicContact CG1-CD2 4.1Å; V585-F587 HydrophobicContact CG1-CE2 3.72Å; V585-F587 HydrophobicContact CG1-CZ 4.11Å; V585-I605 HydrophobicContact CB-CD1 4.28Å; V585-I605 HydrophobicContact CB-CG1 4.08Å; V585-I605 HydrophobicContact CG1-CD1 4.09Å; V585-I605 HydrophobicContact CG1-CG1 4.36Å; V585-I605 HydrophobicContact CG2-CD1 4.09Å; V585-I605 HydrophobicContact CG2-CG1 4.03Å; V585-I605 HydrophobicContact CG2-CG2 3.84Å; V585-C648 CarbonylContact O-C 3.09Å; V585-C648 VanDerWaalsContact O-CA 3.28Å; V585-C648 WeakPolarHBondContact O-CA 3.45Å; V585-T649 WeakPolarHBondContact CB-OG1 3.5Å; V585-T649 PolarHBondContact N-O 3.04Å; V585-T649 PolarHBondContact O-N 2.94Å; V585-T649 PolarHBondContact O-OG1 2.85Å; V585-V848 HydrophobicContact CG1-CB 4.16Å; V585-V848 HydrophobicContact CG1-CG1 4.3Å; V585-V849 CarbonylContact C-O 3.52Å; V585-V849 VanDerWaalsContact CA-O 3.31Å; V585-V849 WeakPolarHBondContact CA-O 3.09Å; V585-V850 HydrophobicContact CG1-CG2 4.09Å; V585-V850 HydrophobicContact CG2-CG1 4.16Å; V585-V850 HydrophobicContact CG2-CG2 4.29Å |
| 586 | A | 94.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V848 V849 W861 M1147 | A586-V848 CarbonylContact O-C 3.49Å; A586-V848 VanDerWaalsContact O-CA 3.23Å; A586-V848 WeakPolarHBondContact O-CA 3.25Å; A586-V849 HydrophobicContact CB-CB 4.34Å; A586-V849 PolarHBondContact N-O 3.29Å; A586-V849 PolarHBondContact O-N 3.19Å; A586-W861 HydrophobicContact CB-CH2 3.88Å; A586-W861 HydrophobicContact CB-CZ2 4.12Å; A586-M1147 HydrophobicContact CB-CG 4.23Å |
| 587 | F | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 103 | 179.6 | -68.8 | -103.6 | 0 | 0 | 0 | 110.1 | V585 F603 I605 T625 W642 K646 P647 T649 I786 L846 V848 | V585-F587 HydrophobicContact CB-CE2 4.19Å; V585-F587 HydrophobicContact CG1-CD2 4.1Å; V585-F587 HydrophobicContact CG1-CE2 3.72Å; V585-F587 HydrophobicContact CG1-CZ 4.11Å; F587-F603 HydrophobicContact CD1-CB 4.47Å; F587-F603 HydrophobicContact CD1-CD2 4.18Å; F587-F603 HydrophobicContact CE1-CB 3.56Å; F587-F603 HydrophobicContact CE1-CD2 4.01Å; F587-F603 AromaticContact CE1-CG 3.89Å; F587-F603 HydrophobicContact CE1-CG 3.89Å; F587-F603 HydrophobicContact CZ-CB 3.74Å; F587-I605 HydrophobicContact CE2-CD1 4.18Å; F587-I605 HydrophobicContact CE2-CG1 3.94Å; F587-I605 HydrophobicContact CZ-CD1 3.61Å; F587-I605 HydrophobicContact CZ-CG1 3.78Å; F587-T625 HydrophobicContact CD1-CG2 4.17Å; F587-T625 HydrophobicContact CD2-CG2 3.54Å; F587-T625 HydrophobicContact CE1-CG2 4.18Å; F587-T625 HydrophobicContact CE2-CG2 3.57Å; F587-T625 HydrophobicContact CG-CG2 3.84Å; F587-T625 HydrophobicContact CZ-CG2 3.87Å; F587-W642 HydrophobicContact CB-CE3 4.24Å; F587-W642 HydrophobicContact CB-CH2 3.73Å; F587-W642 HydrophobicContact CB-CZ3 3.44Å; F587-W642 VanDerWaalsContact CB-CZ3 3.44Å; F587-W642 HydrophobicContact CD1-CH2 4.08Å; F587-W642 HydrophobicContact CD1-CZ3 4.48Å; F587-W642 HydrophobicContact CG-CH2 4.2Å; F587-W642 HydrophobicContact CG-CZ3 4.37Å; F587-K646 WeakPolarHBondContact O-CB 3.47Å; F587-P647 HydrophobicContact CB-CB 4.47Å; F587-P647 PolarHBondContact N-O 3.14Å; F587-T649 HydrophobicContact CE2-CG2 3.91Å; F587-I786 HydrophobicContact CE1-CG2 4.49Å; F587-L846 HydrophobicContact CE1-CD1 4.19Å; F587-V848 HydrophobicContact CD1-CG1 3.72Å; F587-V848 HydrophobicContact CE1-CG1 4.08Å; F587-V848 HydrophobicContact CG-CG1 4.19Å |
| 588 | L | 92.4 | Very high | 86.6 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -42.4 | -176.7 | -55.4 | -176.7 | 0 | 0 | 0 | 111.7 | K646 A821 R847 V849 F1149 | L588-K646 WeakPolarHBondContact O-CD 3.4Å; L588-K646 VanDerWaalsContact O-CE 3.24Å; L588-K646 WeakPolarHBondContact O-CE 3.46Å; L588-K646 PolarHBondContact O-NZ 2.86Å; L588-K646 VanDerWaalsContact O-NZ 3.13Å; L588-A821 HydrophobicContact CD1-CB 4.06Å; L588-R847 HydrophobicContact CB-CB 4.42Å; L588-R847 HydrophobicContact CB-CG 4.31Å; L588-R847 WeakPolarHBondContact CB-O 3.12Å; L588-R847 HydrophobicContact CD1-CG 4.27Å; L588-R847 PolarHBondContact N-O 3.16Å; L588-V849 HydrophobicContact CD1-CG2 3.83Å; L588-V849 HydrophobicContact CD2-CG2 4.35Å; L588-V849 HydrophobicContact CG-CG2 4.17Å; L588-F1149 HydrophobicContact CD2-CE2 4.4Å; L588-F1149 HydrophobicContact CD2-CZ 4.13Å |
| 589 | S | 92.5 | Very high | 85.7 | Confident | 17 Ų | 17 | 36.1 Ų | 36.1 | 12% | 0.119 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 156.4 | 173.9 | 61.2 | 0 | 0 | 0 | 0 | 113 | R847 Q1185 | S589-R847 PolarHBondContact N-O 2.73Å; S589-R847 PolarHBondContact O-N 2.96Å; S589-R847 WeakPolarHBondContact OG-CB 3.41Å; S589-Q1185 PolarHBondContact OG-OE1 3.21Å |
| 590 | A | 94.3 | Very high | 85.2 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 116.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F603 Y639 L640 W642 Q845 L846 | A590-F603 HydrophobicContact CB-CE2 3.62Å; A590-F603 HydrophobicContact CB-CZ 3.99Å; A590-Y639 CarbonylContact O-C 3.58Å; A590-Y639 VanDerWaalsContact O-CA 3.24Å; A590-Y639 WeakPolarHBondContact O-CA 3.35Å; A590-Y639 VanDerWaalsContact O-CB 3.31Å; A590-Y639 WeakPolarHBondContact O-CB 3.45Å; A590-L640 HydrophobicContact CB-CB 4.22Å; A590-L640 HydrophobicContact CB-CD1 4.05Å; A590-L640 HydrophobicContact CB-CG 4.03Å; A590-L640 PolarHBondContact O-N 2.91Å; A590-W642 HydrophobicContact CB-CH2 3.73Å; A590-W642 HydrophobicContact CB-CZ2 4.42Å; A590-W642 HydrophobicContact CB-CZ3 3.94Å; A590-Q845 WeakPolarHBondContact CA-O 3.17Å; A590-L846 HydrophobicContact CB-CD2 3.61Å |
| 591 | T | 92.8 | Very high | 85.1 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | -178.5 | -168.1 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | I593 Y638 Q845 G1186 | T591-I593 PolarHBondContact O-N 2.88Å; T591-Y638 CarbonylContact C-O 3.11Å; T591-Q845 PolarHBondContact N-O 2.87Å; T591-Q845 PolarHBondContact O-N 2.88Å; T591-G1186 VanDerWaalsContact CG2-N 3.33Å |
| 592 | M | 90.4 | Very high | 84.9 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | trans | 55.7 | 33.2 | 178.4 | -62 | -71.8 | -68.1 | 0 | 0 | 113 | Y637 Y638 Q845 S1183 | M592-Y637 HydrophobicContact CB-CD1 4.48Å; M592-Y637 HydrophobicContact CE-CD1 4.32Å; M592-Y637 HydrophobicContact CE-CD2 3.89Å; M592-Y637 HydrophobicContact CE-CE1 3.82Å; M592-Y637 HydrophobicContact CE-CE2 3.32Å; M592-Y637 HydrophobicContact CE-CG 4.36Å; M592-Y637 HydrophobicContact SD-CD1 4.21Å; M592-Y637 HydrophobicContact SD-CD2 3.38Å; M592-Y637 WeakPolarHBondContact SD-CD2 3.3Å; M592-Y637 HydrophobicContact SD-CE1 4.3Å; M592-Y637 HydrophobicContact SD-CE2 3.48Å; M592-Y637 WeakPolarHBondContact SD-CE2 3.44Å; M592-Y637 HydrophobicContact SD-CG 3.77Å; M592-Y638 PolarHBondContact N-O 2.94Å; M592-Q845 HydrophobicContact CB-CB 3.99Å; M592-Q845 HydrophobicContact CG-CB 4.11Å; M592-S1183 WeakPolarHBondContact SD-CB 3.48Å | ||
| 593 | I | 90.3 | Very high | 85 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -84.7 | 135.1 | -179 | -59.5 | 173.8 | 0 | 0 | 0 | 109.3 | T591 I601 P630 Y638 L640 M788 A844 | T591-I593 PolarHBondContact O-N 2.88Å; I593-I601 HydrophobicContact CD1-CD1 4.09Å; I593-I601 HydrophobicContact CG2-CD1 3.42Å; I593-I601 VanDerWaalsContact CG2-CD1 3.42Å; I593-P630 HydrophobicContact CG2-CB 4.22Å; I593-Y638 WeakPolarHBondContact CB-O 3.38Å; I593-Y638 PolarHBondContact N-O 3.36Å; I593-Y638 WeakPolarHBondContact O-CB 3.46Å; I593-Y638 PolarHBondContact O-N 3.25Å; I593-L640 HydrophobicContact CD1-CD1 4.4Å; I593-L640 HydrophobicContact CD1-CD2 3.75Å; I593-L640 HydrophobicContact CD1-CG 3.69Å; I593-M788 HydrophobicContact CG2-CE 4.16Å; I593-A844 HydrophobicContact CG1-CB 3.96Å |
| 594 | E | 77.3 | Confident | 85 | Confident | 39 Ų | 39 | 30.4 Ų | 30.4 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | trans | -78.6 | 139 | 176.2 | -170.8 | 176.5 | -164.3 | 0 | 0 | 112.1 | K596 S597 K841 | E594-K596 HydrophobicContact CG-CB 4.45Å; E594-K596 HydrophobicContact CG-CG 4.25Å; E594-K596 PolarHBondContact O-N 3.16Å; E594-K596 VanDerWaalsContact O-N 3.1Å; E594-K596 WeakPolarHBondContact OE1-CE 3.38Å; E594-K596 IonicContact OE1-NZ 3.33Å; E594-S597 PolarHBondContact O-OG 3.46Å; E594-K841 WeakPolarHBondContact OE1-CD 3.49Å; E594-K841 IonicContact OE1-NZ 3.7Å; E594-K841 PolarHBondContact OE1-NZ 2.85Å | ||
| 595 | E | 63.8 | Low | 85.1 | Confident | 125 Ų | 125 | 29.5 Ų | 29.5 | 58% | 0.584 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.3 | -176.9 | -170.5 | 166.1 | 166.4 | 0 | 0 | 114.6 | S597 Y638 | E595-S597 PolarHBondContact O-N 3.28Å; E595-Y638 HydrophobicContact CB-CD2 4.02Å; E595-Y638 HydrophobicContact CB-CE2 3.41Å; E595-Y638 VanDerWaalsContact CB-CE2 3.41Å; E595-Y638 HydrophobicContact CG-CE1 4.39Å; E595-Y638 HydrophobicContact CG-CE2 3.68Å; E595-Y638 WeakPolarHBondContact CG-OH 3.29Å; E595-Y638 PolarHBondContact OE1-OH 3.47Å; E595-Y638 PolarHBondContact OE2-OH 3.3Å |
| 596 | K | 61.2 | Low | 85 | Confident | 164 Ų | 164 | 29.7 Ų | 29.7 | 71% | 0.713 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 6.8 | -172.7 | -66.4 | -177 | -179.1 | 171.3 | 0 | 115.4 | E594 D598 | E594-K596 HydrophobicContact CG-CB 4.45Å; E594-K596 HydrophobicContact CG-CG 4.25Å; E594-K596 PolarHBondContact O-N 3.16Å; E594-K596 VanDerWaalsContact O-N 3.1Å; E594-K596 WeakPolarHBondContact OE1-CE 3.38Å; E594-K596 IonicContact OE1-NZ 3.33Å; K596-D598 PolarHBondContact O-N 2.95Å |
| 597 | S | 58.8 | Low | 85 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | trans | -82.3 | 89.5 | 177.4 | -52.6 | 0 | 0 | 0 | 0 | 110.1 | E594 E595 G599 K1085 | E594-S597 PolarHBondContact O-OG 3.46Å; E595-S597 PolarHBondContact O-N 3.28Å; S597-G599 PolarHBondContact O-N 2.77Å; S597-K1085 PolarHBondContact O-NZ 3.22Å | ||
| 598 | D | 62.3 | Low | 84.9 | Confident | 151 Ų | 151 | 29.8 Ų | 29.8 | 81% | 0.807 | 15% | 0.154 | S | C | * | . | trans | -65.2 | -17.6 | 176.7 | -79.7 | -24.6 | 0 | 0 | 0 | 113.3 | K596 K1085 | K596-D598 PolarHBondContact O-N 2.95Å; D598-K1085 WeakPolarHBondContact O-CE 3.48Å | ||
| 599 | G | 72.4 | Confident | 84.8 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -112.6 | 169.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S597 | S597-G599 PolarHBondContact O-N 2.77Š|
| 600 | P | 84.4 | Confident | 84.8 | Confident | 35 Ų | 35 | 29 Ų | 29 | 23% | 0.227 | 15% | 0.148 | C | C | . | . | trans | -64.6 | 152.1 | 170.4 | 29.4 | -35.2 | 0 | 0 | 0 | 110.9 | P627 G791 | P600-P627 HydrophobicContact CB-CB 4.05Å; P600-P627 HydrophobicContact CG-CB 4.3Å; P600-G791 PolarHBondContact O-N 3.04Å | ||
| 601 | I | 90.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.3 | -178.7 | -63.8 | 166.6 | 0 | 0 | 0 | 109.6 | I593 F603 P627 T628 P630 L640 M788 L789 | I593-I601 HydrophobicContact CD1-CD1 4.09Å; I593-I601 HydrophobicContact CG2-CD1 3.42Å; I593-I601 VanDerWaalsContact CG2-CD1 3.42Å; I601-F603 HydrophobicContact CG2-CE1 4.27Å; I601-F603 HydrophobicContact CG2-CE2 4.34Å; I601-F603 HydrophobicContact CG2-CZ 3.93Å; I601-P627 WeakPolarHBondContact O-CA 3.47Å; I601-T628 PolarHBondContact N-O 2.76Å; I601-T628 PolarHBondContact O-N 3.02Å; I601-P630 HydrophobicContact CD1-CB 4.03Å; I601-P630 HydrophobicContact CD1-CG 3.66Å; I601-P630 HydrophobicContact CG1-CG 4.37Å; I601-L640 HydrophobicContact CB-CD1 4.38Å; I601-L640 HydrophobicContact CB-CD2 4.33Å; I601-L640 HydrophobicContact CD1-CD2 4.45Å; I601-L640 HydrophobicContact CG2-CD1 4.13Å; I601-M788 HydrophobicContact CD1-CE 3.57Å; I601-M788 HydrophobicContact CG1-CE 3.98Å; I601-M788 HydrophobicContact CG2-CE 3.87Å; I601-M788 HydrophobicContact CG2-CG 4.08Å; I601-L789 VanDerWaalsContact CA-O 3.3Å; I601-L789 WeakPolarHBondContact CA-O 3.49Å |
| 602 | E | 91.3 | Very high | 84.3 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154.2 | 166.3 | 64 | -179.9 | -170.1 | 0 | 0 | 109.9 | K613 L789 | E602-K613 VanDerWaalsContact CD-NZ 3.3Å; E602-K613 IonicContact OE1-NZ 3.75Å; E602-K613 PolarHBondContact OE1-NZ 3.22Å; E602-K613 IonicContact OE2-NZ 3.86Å; E602-K613 PolarHBondContact OE2-NZ 2.75Å; E602-K613 VanDerWaalsContact OE2-NZ 3.15Å; E602-L789 HydrophobicContact CG-CB 3.72Å; E602-L789 HydrophobicContact CG-CD1 4.44Å; E602-L789 HydrophobicContact CG-CD2 4.42Å; E602-L789 HydrophobicContact CG-CG 4.41Å; E602-L789 PolarHBondContact N-O 2.59Å; E602-L789 PolarHBondContact O-N 3.19Å |
| 603 | F | 95.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.1 | 173 | -59.3 | -70.9 | 0 | 0 | 0 | 109.5 | F587 A590 I601 T624 T625 L640 W642 W787 M788 L826 L846 | F587-F603 HydrophobicContact CD1-CB 4.47Å; F587-F603 HydrophobicContact CD1-CD2 4.18Å; F587-F603 HydrophobicContact CE1-CB 3.56Å; F587-F603 HydrophobicContact CE1-CD2 4.01Å; F587-F603 AromaticContact CE1-CG 3.89Å; F587-F603 HydrophobicContact CE1-CG 3.89Å; F587-F603 HydrophobicContact CZ-CB 3.74Å; A590-F603 HydrophobicContact CB-CE2 3.62Å; A590-F603 HydrophobicContact CB-CZ 3.99Å; I601-F603 HydrophobicContact CG2-CE1 4.27Å; I601-F603 HydrophobicContact CG2-CE2 4.34Å; I601-F603 HydrophobicContact CG2-CZ 3.93Å; F603-T624 CarbonylContact O-C 3.5Å; F603-T624 WeakPolarHBondContact O-CA 3.19Å; F603-T625 HydrophobicContact CB-CG2 4.11Å; F603-T625 HydrophobicContact CD2-CG2 4.44Å; F603-T625 PolarHBondContact N-OG1 3.24Å; F603-T625 PolarHBondContact O-N 3.28Å; F603-L640 HydrophobicContact CD2-CD1 4.45Å; F603-L640 HydrophobicContact CE2-CD1 3.59Å; F603-L640 HydrophobicContact CZ-CD1 4.23Å; F603-W642 AromaticContact CD2-CH2 3.83Å; F603-W642 HydrophobicContact CD2-CH2 3.83Å; F603-W642 HydrophobicContact CD2-CZ2 4.01Å; F603-W642 AromaticContact CE2-CH2 3.81Å; F603-W642 HydrophobicContact CE2-CH2 3.81Å; F603-W642 HydrophobicContact CE2-CZ2 4.03Å; F603-W787 CarbonylContact C-O 3.02Å; F603-W787 WeakPolarHBondContact CA-O 3.38Å; F603-M788 HydrophobicContact CD1-CB 4.05Å; F603-M788 HydrophobicContact CD1-CG 4.32Å; F603-M788 HydrophobicContact CE1-CB 3.87Å; F603-M788 HydrophobicContact CE1-CG 3.78Å; F603-M788 HydrophobicContact CE1-SD 4.49Å; F603-L826 HydrophobicContact CD1-CD1 4.43Å; F603-L826 HydrophobicContact CE1-CD1 3.98Å; F603-L846 HydrophobicContact CD1-CD1 3.91Å; F603-L846 HydrophobicContact CD1-CD2 4.24Å; F603-L846 HydrophobicContact CD2-CD2 4.27Å; F603-L846 HydrophobicContact CE1-CD1 3.96Å; F603-L846 HydrophobicContact CE1-CD2 3.59Å; F603-L846 HydrophobicContact CE1-CG 4.34Å; F603-L846 HydrophobicContact CE2-CD2 3.62Å; F603-L846 HydrophobicContact CG-CD1 4.33Å; F603-L846 HydrophobicContact CZ-CD1 4.42Å; F603-L846 HydrophobicContact CZ-CD2 3.25Å; F603-L846 HydrophobicContact CZ-CG 4.43Å |
| 604 | E | 94.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.6 | 176.7 | 176.1 | -171.5 | 81.8 | 0 | 0 | 109.7 | K613 S623 T624 I786 W787 L789 R794 | E604-K613 VanDerWaalsContact OE2-CB 3.27Å; E604-K613 WeakPolarHBondContact OE2-CB 3.45Å; E604-K613 VanDerWaalsContact OE2-CG 3.3Å; E604-K613 WeakPolarHBondContact OE2-CG 3.22Å; E604-K613 PolarHBondContact OE2-N 2.96Å; E604-S623 CarbonylContact C-O 3.4Å; E604-S623 WeakPolarHBondContact CA-O 3.34Å; E604-T624 HydrophobicContact CB-CG2 3.85Å; E604-T624 HydrophobicContact CG-CG2 3.99Å; E604-I786 CarbonylContact O-C 3.53Å; E604-I786 WeakPolarHBondContact O-CA 3.06Å; E604-W787 HydrophobicContact CB-CB 4.2Å; E604-W787 PolarHBondContact N-O 3.48Å; E604-W787 PolarHBondContact O-N 3.32Å; E604-L789 HydrophobicContact CB-CD1 3.51Å; E604-R794 IonicContact OE1-CZ 2.73Å; E604-R794 IonicContact OE1-NE 3.51Å; E604-R794 PolarHBondContact OE1-NE 3.31Å; E604-R794 IonicContact OE1-NH2 3.22Å; E604-R794 PolarHBondContact OE1-NH2 3.22Å; E604-R794 IonicContact OE2-NH2 3.63Å |
| 605 | I | 95.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.4 | 175.2 | -60.2 | -60.5 | 0 | 0 | 0 | 108.7 | L583 V585 F587 S623 T649 V651 I784 I785 I786 | L583-I605 HydrophobicContact CD2-CG2 3.46Å; L583-I605 VanDerWaalsContact CD2-CG2 3.46Å; L583-I605 HydrophobicContact CG-CG2 4.21Å; V585-I605 HydrophobicContact CB-CD1 4.28Å; V585-I605 HydrophobicContact CB-CG1 4.08Å; V585-I605 HydrophobicContact CG1-CD1 4.09Å; V585-I605 HydrophobicContact CG1-CG1 4.36Å; V585-I605 HydrophobicContact CG2-CD1 4.09Å; V585-I605 HydrophobicContact CG2-CG1 4.03Å; V585-I605 HydrophobicContact CG2-CG2 3.84Å; F587-I605 HydrophobicContact CE2-CD1 4.18Å; F587-I605 HydrophobicContact CE2-CG1 3.94Å; F587-I605 HydrophobicContact CZ-CD1 3.61Å; F587-I605 HydrophobicContact CZ-CG1 3.78Å; I605-S623 PolarHBondContact N-O 2.63Å; I605-S623 VanDerWaalsContact O-CB 3.29Å; I605-S623 WeakPolarHBondContact O-CB 3.16Å; I605-T649 HydrophobicContact CG1-CG2 4.14Å; I605-T649 WeakPolarHBondContact CG1-OG1 3.38Å; I605-V651 HydrophobicContact CG2-CG2 4.31Å; I605-I784 HydrophobicContact CG2-CG2 4.22Å; I605-I785 WeakPolarHBondContact CA-O 2.91Å; I605-I786 HydrophobicContact CD1-CB 4.01Å; I605-I786 HydrophobicContact CD1-CD1 3.72Å; I605-I786 HydrophobicContact CD1-CG1 3.46Å; I605-I786 VanDerWaalsContact CD1-CG1 3.46Å; I605-I786 HydrophobicContact CD1-CG2 3.85Å |
| 606 | S | 94.7 | Very high | 83.4 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.028 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 147.7 | 176 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | H610 I784 I785 | S606-H610 CarbonylContact C-O 3.54Å; S606-H610 WeakPolarHBondContact CA-O 3.46Å; S606-H610 WeakPolarHBondContact CB-O 3.41Å; S606-I784 CarbonylContact O-C 3.54Å; S606-I784 WeakPolarHBondContact O-CA 3.32Å; S606-I785 PolarHBondContact N-O 2.85Å; S606-I785 PolarHBondContact O-N 3.37Å |
| 607 | I | 94.8 | Very high | 84 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 116.2 | 168 | -173.6 | 173.5 | 0 | 0 | 0 | 107.9 | L583 N609 H610 V651 W655 I781 P782 I784 F852 | L583-I607 HydrophobicContact CD2-CB 4.34Å; L583-I607 HydrophobicContact CD2-CG2 4.21Å; I607-N609 PolarHBondContact O-N 2.84Å; I607-H610 HydrophobicContact CG2-CB 4.36Å; I607-H610 PolarHBondContact N-O 3.3Å; I607-H610 WeakPolarHBondContact O-CB 3.46Å; I607-H610 PolarHBondContact O-N 2.74Å; I607-H610 VanDerWaalsContact O-N 3.12Å; I607-V651 HydrophobicContact CG2-CG1 4.23Å; I607-W655 HydrophobicContact CG1-CZ2 4.14Å; I607-I781 HydrophobicContact CD1-CG2 3.94Å; I607-P782 HydrophobicContact CG1-CB 4.38Å; I607-I784 HydrophobicContact CB-CG1 4.33Å; I607-I784 HydrophobicContact CD1-CG1 3.98Å; I607-I784 HydrophobicContact CG1-CG1 4.31Å; I607-F852 HydrophobicContact CD1-CD2 4.31Å; I607-F852 HydrophobicContact CD1-CE1 4.37Å; I607-F852 HydrophobicContact CD1-CE2 3.7Å; I607-F852 HydrophobicContact CD1-CZ 3.74Å |
| 608 | G | 92.4 | Very high | 85 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -134.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y540 | Y540-G608 VanDerWaalsContact CD1-C 3.45Å; Y540-G608 VanDerWaalsContact CD1-CA 3.43Å; Y540-G608 VanDerWaalsContact CE1-CA 3.5Å |
| 609 | N | 91 | Very high | 85.5 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -19.9 | 171.7 | -74.3 | -12 | 0 | 0 | 0 | 113.1 | D374 R518 I607 G611 N612 D615 V618 | D374-N609 WeakPolarHBondContact CB-ND2 3.3Å; R518-N609 PolarHBondContact NH1-OD1 2.87Å; I607-N609 PolarHBondContact O-N 2.84Å; N609-G611 PolarHBondContact O-N 3.1Å; N609-N612 WeakPolarHBondContact O-CB 3.49Å; N609-N612 PolarHBondContact O-N 2.96Å; N609-D615 PolarHBondContact ND2-OD2 3.12Å; N609-D615 PolarHBondContact OD1-OD2 2.78Å; N609-V618 HydrophobicContact CB-CG1 4.37Å; N609-V618 HydrophobicContact CB-CG2 4.17Å; N609-V618 WeakPolarHBondContact O-CG2 3.35Å |
| 610 | H | 92.1 | Very high | 85.8 | Confident | 28 Ų | 28 | 31.5 Ų | 31.5 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -65.9 | 126.7 | -178.6 | -61.8 | -85.6 | 0 | 0 | 0 | 111.1 | S606 I607 N612 V651 D652 W655 | S606-H610 CarbonylContact C-O 3.54Å; S606-H610 WeakPolarHBondContact CA-O 3.46Å; S606-H610 WeakPolarHBondContact CB-O 3.41Å; I607-H610 HydrophobicContact CG2-CB 4.36Å; I607-H610 PolarHBondContact N-O 3.3Å; I607-H610 WeakPolarHBondContact O-CB 3.46Å; I607-H610 PolarHBondContact O-N 2.74Å; I607-H610 VanDerWaalsContact O-N 3.12Å; H610-N612 VanDerWaalsContact C-N 3.34Å; H610-V651 HydrophobicContact CB-CG1 3.64Å; H610-D652 PolarHBondContact ND1-O 2.87Å; H610-D652 VanDerWaalsContact ND1-O 3.16Å; H610-W655 AromaticContact CD2-CZ2 3.88Å |
| 611 | G | 89.4 | Confident | 85.8 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -9.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N609 K613 S623 | N609-G611 PolarHBondContact O-N 3.1Å; G611-K613 PolarHBondContact O-N 2.89Å; G611-S623 VanDerWaalsContact CA-CB 3.45Å; G611-S623 VanDerWaalsContact O-CB 3.27Å; G611-S623 WeakPolarHBondContact O-CB 3.48Å; G611-S623 PolarHBondContact O-OG 2.88Å |
| 612 | N | 88 | Confident | 85.7 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | trans | -75.4 | 115 | 175.3 | 178.5 | -3.8 | 0 | 0 | 0 | 111.1 | R518 N609 H610 L614 D615 R794 | R518-N612 PolarHBondContact NH1-ND2 3.15Å; R518-N612 VanDerWaalsContact NH1-ND2 3.11Å; N609-N612 WeakPolarHBondContact O-CB 3.49Å; N609-N612 PolarHBondContact O-N 2.96Å; H610-N612 VanDerWaalsContact C-N 3.34Å; N612-L614 PolarHBondContact O-N 2.94Å; N612-L614 PolarHBondContact OD1-N 2.9Å; N612-D615 HydrophobicContact CB-CB 4.2Å; N612-D615 PolarHBondContact O-N 2.87Å; N612-D615 VanDerWaalsContact O-N 3.14Å; N612-R794 PolarHBondContact OD1-NH2 2.98Å | ||
| 613 | K | 79 | Confident | 85.7 | Confident | 85 Ų | 85 | 30.3 Ų | 30.3 | 37% | 0.37 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.5 | -179.4 | -78.3 | 175.4 | 139.5 | 171.4 | 0 | 115.3 | E602 E604 G611 D615 T624 | E602-K613 VanDerWaalsContact CD-NZ 3.3Å; E602-K613 IonicContact OE1-NZ 3.75Å; E602-K613 PolarHBondContact OE1-NZ 3.22Å; E602-K613 IonicContact OE2-NZ 3.86Å; E602-K613 PolarHBondContact OE2-NZ 2.75Å; E602-K613 VanDerWaalsContact OE2-NZ 3.15Å; E604-K613 VanDerWaalsContact OE2-CB 3.27Å; E604-K613 WeakPolarHBondContact OE2-CB 3.45Å; E604-K613 VanDerWaalsContact OE2-CG 3.3Å; E604-K613 WeakPolarHBondContact OE2-CG 3.22Å; E604-K613 PolarHBondContact OE2-N 2.96Å; G611-K613 PolarHBondContact O-N 2.89Å; K613-D615 VanDerWaalsContact C-N 3.31Å; K613-T624 HydrophobicContact CD-CG2 3.71Å; K613-T624 HydrophobicContact CG-CG2 4.2Å |
| 614 | L | 75.9 | Confident | 85.6 | Confident | 75 Ų | 75 | 31.3 Ų | 31.3 | 39% | 0.393 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.8 | 179.7 | -59.6 | -176.6 | 0 | 0 | 0 | 112.8 | R518 N612 R794 | R518-L614 WeakPolarHBondContact O-CD1 3.47Å; N612-L614 PolarHBondContact O-N 2.94Å; N612-L614 PolarHBondContact OD1-N 2.9Å; L614-R794 VanDerWaalsContact CD1-NH1 3.34Å |
| 615 | D | 76.6 | Confident | 85.5 | Confident | 26 Ų | 26 | 31.3 Ų | 31.3 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | trans | -105.6 | 114.8 | -176.9 | -152.9 | -54.2 | 0 | 0 | 0 | 110.7 | R518 N609 N612 K613 S617 | R518-D615 IonicContact CZ-OD2 2.77Å; R518-D615 IonicContact NH1-OD2 3.56Å; R518-D615 PolarHBondContact NH1-OD2 3.1Å; R518-D615 IonicContact NH2-OD2 3.41Å; R518-D615 PolarHBondContact NH2-OD2 3.18Å; R518-D615 VanDerWaalsContact NH2-OD2 3.14Å; N609-D615 PolarHBondContact ND2-OD2 3.12Å; N609-D615 PolarHBondContact OD1-OD2 2.78Å; N612-D615 HydrophobicContact CB-CB 4.2Å; N612-D615 PolarHBondContact O-N 2.87Å; N612-D615 VanDerWaalsContact O-N 3.14Å; K613-D615 VanDerWaalsContact C-N 3.31Å; D615-S617 VanDerWaalsContact OD1-CB 3.25Å; D615-S617 WeakPolarHBondContact OD1-CB 3.49Å; D615-S617 PolarHBondContact OD1-N 3.1Å; D615-S617 PolarHBondContact OD1-OG 2.84Å | ||
| 616 | E | 71.2 | Confident | 85.2 | Confident | 130 Ų | 130 | 31.7 Ų | 31.7 | 61% | 0.607 | 18% | 0.178 | S | C | * | . | trans | -92.5 | 0.2 | 178.5 | -60.7 | -166.9 | 160.4 | 0 | 0 | 112.6 | K1137 | E616-K1137 IonicContact OE1-NZ 2.67Å; E616-K1137 PolarHBondContact OE1-NZ 2.95Å; E616-K1137 VanDerWaalsContact OE2-CE 3.29Å; E616-K1137 WeakPolarHBondContact OE2-CE 3.44Å; E616-K1137 IonicContact OE2-NZ 2.77Å; E616-K1137 PolarHBondContact OE2-NZ 2.78Å; E616-K1137 VanDerWaalsContact OE2-NZ 3.16Å | ||
| 617 | S | 72.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 32.5 Ų | 32.5 | 41% | 0.413 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -77.3 | -22 | -177.1 | 68.7 | 0 | 0 | 0 | 0 | 113.7 | D615 | D615-S617 VanDerWaalsContact OD1-CB 3.25Å; D615-S617 WeakPolarHBondContact OD1-CB 3.49Å; D615-S617 PolarHBondContact OD1-N 3.1Å; D615-S617 PolarHBondContact OD1-OG 2.84Å |
| 618 | V | 79.1 | Confident | 84.5 | Confident | 31 Ų | 31 | 32.6 Ų | 32.6 | 19% | 0.188 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -111.9 | 151.4 | -176.8 | -81.6 | 0 | 0 | 0 | 0 | 111.5 | N609 | N609-V618 HydrophobicContact CB-CG1 4.37Å; N609-V618 HydrophobicContact CB-CG2 4.17Å; N609-V618 WeakPolarHBondContact O-CG2 3.35Å |
| 619 | T | 73.6 | Confident | 84.2 | Confident | 90 Ų | 90 | 33.8 Ų | 33.8 | 55% | 0.552 | 19% | 0.19 | S | C | * | . | trans | -57.7 | 135.3 | 176.8 | -48.4 | 0 | 0 | 0 | 0 | 110.5 | C621 V1118 | T619-C621 PolarHBondContact O-N 2.85Å; T619-C621 PolarHBondContact O-SG 2.91Å; T619-V1118 HydrophobicContact CG2-CG2 4.32Å | ||
| 620 | P | 78.9 | Confident | 84 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 37% | 0.37 | 20% | 0.195 | S | C | . | . | trans | -55.5 | 139.2 | 176.5 | -27.4 | 35.3 | 0 | 0 | 0 | 112.6 | V1118 L1140 V1142 | P620-V1118 WeakPolarHBondContact O-CG2 3.34Å; P620-L1140 HydrophobicContact CG-CB 4.42Å; P620-V1142 HydrophobicContact CB-CG1 3.7Å; P620-V1142 WeakPolarHBondContact O-CG1 3.21Å | ||
| 621 | C | 84.6 | Confident | 83.4 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 10% | 0.095 | 19% | 0.193 | C | C | . | . | trans | -124.5 | 160.8 | 175.3 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | T619 S623 V651 | T619-C621 PolarHBondContact O-N 2.85Å; T619-C621 PolarHBondContact O-SG 2.91Å; C621-S623 PolarHBondContact O-N 3.23Å; C621-V651 HydrophobicContact CB-CG1 4.4Å; C621-V651 HydrophobicContact CB-CG2 4.45Å | ||
| 622 | A | 88.4 | Confident | 83 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -76.6 | 63 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T649 M650 P1143 I1145 | A622-T649 CarbonylContact O-C 3.39Å; A622-T649 WeakPolarHBondContact O-CA 3.42Å; A622-T649 WeakPolarHBondContact O-CB 3.27Å; A622-M650 PolarHBondContact N-O 2.85Å; A622-M650 PolarHBondContact O-N 2.94Å; A622-P1143 WeakPolarHBondContact CB-O 3.46Å; A622-I1145 HydrophobicContact CB-CD1 3.83Å; A622-I1145 HydrophobicContact CB-CG1 4.17Å |
| 623 | S | 91.7 | Very high | 82.5 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | trans | -91.4 | -3.6 | -168.7 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | E604 I605 G611 C621 T649 | E604-S623 CarbonylContact C-O 3.4Å; E604-S623 WeakPolarHBondContact CA-O 3.34Å; I605-S623 PolarHBondContact N-O 2.63Å; I605-S623 VanDerWaalsContact O-CB 3.29Å; I605-S623 WeakPolarHBondContact O-CB 3.16Å; G611-S623 VanDerWaalsContact CA-CB 3.45Å; G611-S623 VanDerWaalsContact O-CB 3.27Å; G611-S623 WeakPolarHBondContact O-CB 3.48Å; G611-S623 PolarHBondContact O-OG 2.88Å; C621-S623 PolarHBondContact O-N 3.23Å; S623-T649 VanDerWaalsContact C-CG2 3.49Å | ||
| 624 | T | 92.4 | Very high | 81.9 | Confident | 20 Ų | 20 | 31 Ų | 31 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -124.6 | 146.3 | -173.6 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | F603 E604 K613 R1144 | F603-T624 CarbonylContact O-C 3.5Å; F603-T624 WeakPolarHBondContact O-CA 3.19Å; E604-T624 HydrophobicContact CB-CG2 3.85Å; E604-T624 HydrophobicContact CG-CG2 3.99Å; K613-T624 HydrophobicContact CD-CG2 3.71Å; K613-T624 HydrophobicContact CG-CG2 4.2Å; T624-R1144 PolarHBondContact O-NH1 3.14Å; T624-R1144 PolarHBondContact OG1-NH1 3.25Å |
| 625 | T | 93.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 159 | 166.5 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | F587 F603 W642 P647 R1144 | F587-T625 HydrophobicContact CD1-CG2 4.17Å; F587-T625 HydrophobicContact CD2-CG2 3.54Å; F587-T625 HydrophobicContact CE1-CG2 4.18Å; F587-T625 HydrophobicContact CE2-CG2 3.57Å; F587-T625 HydrophobicContact CG-CG2 3.84Å; F587-T625 HydrophobicContact CZ-CG2 3.87Å; F603-T625 HydrophobicContact CB-CG2 4.11Å; F603-T625 HydrophobicContact CD2-CG2 4.44Å; F603-T625 PolarHBondContact N-OG1 3.24Å; F603-T625 PolarHBondContact O-N 3.28Å; T625-W642 HydrophobicContact CG2-CZ2 4.4Å; T625-P647 HydrophobicContact CG2-CB 3.68Å; T625-P647 HydrophobicContact CG2-CG 4.4Å; T625-R1144 PolarHBondContact O-NH1 3.47Å |
| 626 | P | 89.2 | Confident | 81.8 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -64 | 138.7 | 176 | -21.2 | 32.7 | 0 | 0 | 0 | 111.5 | T628 F1146 | P626-T628 PolarHBondContact O-N 2.98Å; P626-T628 VanDerWaalsContact O-N 3.14Å; P626-T628 PolarHBondContact O-OG1 2.85Å; P626-F1146 HydrophobicContact CG-CE1 3.81Å; P626-F1146 HydrophobicContact CG-CZ 3.73Å |
| 627 | P | 87.4 | Confident | 82.6 | Confident | 22 Ų | 22 | 28 Ų | 28 | 14% | 0.143 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 119.2 | 174.2 | 26.2 | -34.2 | 0 | 0 | 0 | 109.6 | P600 I601 N902 | P600-P627 HydrophobicContact CB-CB 4.05Å; P600-P627 HydrophobicContact CG-CB 4.3Å; I601-P627 WeakPolarHBondContact O-CA 3.47Å; P627-N902 WeakPolarHBondContact CD-ND2 3.39Å; P627-N902 HydrophobicContact CG-CB 4.49Å |
| 628 | T | 87.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -125.3 | 135.8 | -171.3 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | I601 P626 L640 W642 E930 | I601-T628 PolarHBondContact N-O 2.76Å; I601-T628 PolarHBondContact O-N 3.02Å; P626-T628 PolarHBondContact O-N 2.98Å; P626-T628 VanDerWaalsContact O-N 3.14Å; P626-T628 PolarHBondContact O-OG1 2.85Å; T628-L640 HydrophobicContact CG2-CB 3.99Å; T628-L640 HydrophobicContact CG2-CD2 4.05Å; T628-L640 HydrophobicContact CG2-CG 4.43Å; T628-W642 PolarHBondContact OG1-NE1 3.46Å; T628-W642 VanDerWaalsContact OG1-NE1 3.17Å; T628-E930 WeakPolarHBondContact CG2-OE1 3.43Å |
| 629 | N | 85.7 | Confident | 83.7 | Confident | 29 Ų | 29 | 26 Ų | 26 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | trans | -76.7 | 131.4 | 174.2 | -56 | -60.3 | 0 | 0 | 0 | 109.9 | V631 S932 | N629-V631 PolarHBondContact O-N 2.8Å; N629-S932 VanDerWaalsContact CB-OG 3.27Å; N629-S932 WeakPolarHBondContact CB-OG 3.12Å; N629-S932 PolarHBondContact N-OG 3.16Å; N629-S932 PolarHBondContact ND2-OG 2.86Å; N629-S932 VanDerWaalsContact ND2-OG 3.1Å; N629-S932 VanDerWaalsContact O-CB 3.31Å; N629-S932 WeakPolarHBondContact O-CB 3.47Å | ||
| 630 | P | 86.8 | Confident | 84.5 | Confident | 20 Ų | 20 | 22 Ų | 22 | 13% | 0.13 | 13% | 0.125 | C | C | . | . | trans | -61.8 | 134.8 | 172.3 | 17.9 | -25.6 | 0 | 0 | 0 | 111.7 | I593 I601 Y638 L640 | I593-P630 HydrophobicContact CG2-CB 4.22Å; I601-P630 HydrophobicContact CD1-CB 4.03Å; I601-P630 HydrophobicContact CD1-CG 3.66Å; I601-P630 HydrophobicContact CG1-CG 4.37Å; P630-Y638 HydrophobicContact CB-CD1 4.15Å; P630-Y638 HydrophobicContact CB-CG 4.3Å; P630-L640 HydrophobicContact CB-CD2 4.21Å | ||
| 631 | V | 79.6 | Confident | 84.8 | Confident | 12 Ų | 12 | 19.7 Ų | 19.7 | 7% | 0.073 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.2 | 179 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | N629 Y638 Y639 P641 Y935 | N629-V631 PolarHBondContact O-N 2.8Å; V631-Y638 CarbonylContact O-C 3.59Å; V631-Y638 WeakPolarHBondContact O-CA 3.45Å; V631-Y639 HydrophobicContact CB-CE1 4.37Å; V631-Y639 HydrophobicContact CG1-CE1 4.25Å; V631-Y639 PolarHBondContact N-O 2.82Å; V631-Y639 VanDerWaalsContact O-CD1 3.27Å; V631-Y639 WeakPolarHBondContact O-CD1 3.27Å; V631-Y639 PolarHBondContact O-N 3.39Å; V631-P641 HydrophobicContact CG2-CG 3.85Å; V631-Y935 HydrophobicContact CG1-CD1 3.53Å; V631-Y935 HydrophobicContact CG1-CE1 4.18Å; V631-Y935 HydrophobicContact CG1-CG 3.78Å; V631-Y935 HydrophobicContact CG2-CD2 4.17Å; V631-Y935 HydrophobicContact CG2-CG 3.97Å |
| 632 | S | 80.9 | Confident | 84.7 | Confident | 12 Ų | 12 | 19.7 Ų | 19.7 | 8% | 0.084 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 135.1 | 179.5 | 179 | 0 | 0 | 0 | 0 | 111.2 | G634 Y638 | S632-G634 VanDerWaalsContact C-N 3.3Å; S632-G634 PolarHBondContact OG-N 3.04Å; S632-Y638 VanDerWaalsContact N-CD1 3.34Å |
| 633 | D | 76.7 | Confident | 84.2 | Confident | 13 Ų | 13 | 21 Ų | 21 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | trans | -74.2 | -23.9 | 173.3 | 68.9 | -2.3 | 0 | 0 | 0 | 113.2 | L635 H636 Y637 Y639 G1186 S1188 | D633-L635 PolarHBondContact OD1-N 2.86Å; D633-H636 PolarHBondContact OD1-N 3.26Å; D633-Y637 WeakPolarHBondContact CB-O 3.38Å; D633-Y637 PolarHBondContact N-O 3.12Å; D633-Y637 PolarHBondContact OD1-N 2.96Å; D633-Y639 HydrophobicContact CB-CD1 4.21Å; D633-G1186 WeakPolarHBondContact CB-O 3.41Å; D633-S1188 PolarHBondContact OD1-OG 2.89Å; D633-S1188 VanDerWaalsContact OD2-CB 3.28Å; D633-S1188 WeakPolarHBondContact OD2-CB 3.22Å; D633-S1188 PolarHBondContact OD2-OG 3.32Å | ||
| 634 | G | 66.3 | Low | 83.5 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 127.4 | -11.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S632 G940 | S632-G634 VanDerWaalsContact C-N 3.3Å; S632-G634 PolarHBondContact OG-N 3.04Å; G634-G940 WeakPolarHBondContact CA-O 3.28Å |
| 635 | L | 74.1 | Confident | 83 | Confident | 77 Ų | 77 | 22.2 Ų | 22.2 | 40% | 0.403 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -131.7 | -65.8 | -173.6 | -165 | 80.7 | 0 | 0 | 0 | 112.3 | D633 S1188 E1190 | D633-L635 PolarHBondContact OD1-N 2.86Å; L635-S1188 WeakPolarHBondContact CB-OG 3.03Å; L635-E1190 HydrophobicContact CD2-CB 4.31Å; L635-E1190 HydrophobicContact CD2-CG 3.69Å |
| 636 | H | 77.1 | Confident | 82.9 | Confident | 74 Ų | 74 | 23.5 Ų | 23.5 | 34% | 0.343 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -139.2 | -33.6 | -172.3 | -160.4 | 81.6 | 0 | 0 | 0 | 114.7 | D633 R1181 | D633-H636 PolarHBondContact OD1-N 3.26Å; H636-R1181 PolarHBondContact CD2-NH1 3.39Å; H636-R1181 PolarHBondContact CE1-NH1 3.12Å; H636-R1181 VanDerWaalsContact CG-CZ 3.46Å; H636-R1181 VanDerWaalsContact CG-NH1 3.33Å; H636-R1181 PolarHBondContact ND1-NH1 3.33Å; H636-R1181 PolarHBondContact ND1-NH2 2.96Å; H636-R1181 PolarHBondContact NE2-NH1 3.31Å |
| 637 | Y | 87.3 | Confident | 83.2 | Confident | 16 Ų | 16 | 23.2 Ų | 23.2 | 6% | 0.063 | 13% | 0.131 | C | C | . | . | trans | -107.1 | 163.9 | -172.1 | -70 | -65.4 | 0 | 0 | 0 | 112.6 | M592 D633 E1230 | M592-Y637 HydrophobicContact CB-CD1 4.48Å; M592-Y637 HydrophobicContact CE-CD1 4.32Å; M592-Y637 HydrophobicContact CE-CD2 3.89Å; M592-Y637 HydrophobicContact CE-CE1 3.82Å; M592-Y637 HydrophobicContact CE-CE2 3.32Å; M592-Y637 HydrophobicContact CE-CG 4.36Å; M592-Y637 HydrophobicContact SD-CD1 4.21Å; M592-Y637 HydrophobicContact SD-CD2 3.38Å; M592-Y637 WeakPolarHBondContact SD-CD2 3.3Å; M592-Y637 HydrophobicContact SD-CE1 4.3Å; M592-Y637 HydrophobicContact SD-CE2 3.48Å; M592-Y637 WeakPolarHBondContact SD-CE2 3.44Å; M592-Y637 HydrophobicContact SD-CG 3.77Å; D633-Y637 WeakPolarHBondContact CB-O 3.38Å; D633-Y637 PolarHBondContact N-O 3.12Å; D633-Y637 PolarHBondContact OD1-N 2.96Å; Y637-E1230 WeakPolarHBondContact CE2-OE2 3.37Å; Y637-E1230 PolarHBondContact OH-OE1 2.71Å; Y637-E1230 PolarHBondContact OH-OE2 3Å | ||
| 638 | Y | 87.4 | Confident | 83.5 | Confident | 26 Ų | 26 | 22.3 Ų | 22.3 | 10% | 0.102 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 158 | 175 | -66.6 | -108.6 | 0 | 0 | 0 | 110.6 | T591 M592 I593 E595 P630 V631 S632 | T591-Y638 CarbonylContact C-O 3.11Å; M592-Y638 PolarHBondContact N-O 2.94Å; I593-Y638 WeakPolarHBondContact CB-O 3.38Å; I593-Y638 PolarHBondContact N-O 3.36Å; I593-Y638 WeakPolarHBondContact O-CB 3.46Å; I593-Y638 PolarHBondContact O-N 3.25Å; E595-Y638 HydrophobicContact CB-CD2 4.02Å; E595-Y638 HydrophobicContact CB-CE2 3.41Å; E595-Y638 VanDerWaalsContact CB-CE2 3.41Å; E595-Y638 HydrophobicContact CG-CE1 4.39Å; E595-Y638 HydrophobicContact CG-CE2 3.68Å; E595-Y638 WeakPolarHBondContact CG-OH 3.29Å; E595-Y638 PolarHBondContact OE1-OH 3.47Å; E595-Y638 PolarHBondContact OE2-OH 3.3Å; P630-Y638 HydrophobicContact CB-CD1 4.15Å; P630-Y638 HydrophobicContact CB-CG 4.3Å; V631-Y638 CarbonylContact O-C 3.59Å; V631-Y638 WeakPolarHBondContact O-CA 3.45Å; S632-Y638 VanDerWaalsContact N-CD1 3.34Å |
| 639 | Y | 88.6 | Confident | 83.8 | Confident | 23 Ų | 23 | 22.3 Ų | 22.3 | 9% | 0.09 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 165.1 | 177.6 | 74.1 | -81.3 | 0 | 0 | 0 | 110.9 | A590 V631 D633 P641 K1046 | A590-Y639 CarbonylContact O-C 3.58Å; A590-Y639 VanDerWaalsContact O-CA 3.24Å; A590-Y639 WeakPolarHBondContact O-CA 3.35Å; A590-Y639 VanDerWaalsContact O-CB 3.31Å; A590-Y639 WeakPolarHBondContact O-CB 3.45Å; V631-Y639 HydrophobicContact CB-CE1 4.37Å; V631-Y639 HydrophobicContact CG1-CE1 4.25Å; V631-Y639 PolarHBondContact N-O 2.82Å; V631-Y639 VanDerWaalsContact O-CD1 3.27Å; V631-Y639 WeakPolarHBondContact O-CD1 3.27Å; V631-Y639 PolarHBondContact O-N 3.39Å; D633-Y639 HydrophobicContact CB-CD1 4.21Å; Y639-P641 HydrophobicContact CE2-CB 3.91Å; Y639-K1046 WeakPolarHBondContact OH-CE 3.31Å |
| 640 | L | 90 | Very high | 84.1 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | trans | -101.1 | 118.9 | 176.8 | -54.4 | -172.4 | 0 | 0 | 0 | 110.9 | A590 I593 I601 F603 T628 P630 W642 | A590-L640 HydrophobicContact CB-CB 4.22Å; A590-L640 HydrophobicContact CB-CD1 4.05Å; A590-L640 HydrophobicContact CB-CG 4.03Å; A590-L640 PolarHBondContact O-N 2.91Å; I593-L640 HydrophobicContact CD1-CD1 4.4Å; I593-L640 HydrophobicContact CD1-CD2 3.75Å; I593-L640 HydrophobicContact CD1-CG 3.69Å; I601-L640 HydrophobicContact CB-CD1 4.38Å; I601-L640 HydrophobicContact CB-CD2 4.33Å; I601-L640 HydrophobicContact CD1-CD2 4.45Å; I601-L640 HydrophobicContact CG2-CD1 4.13Å; F603-L640 HydrophobicContact CD2-CD1 4.45Å; F603-L640 HydrophobicContact CE2-CD1 3.59Å; F603-L640 HydrophobicContact CZ-CD1 4.23Å; T628-L640 HydrophobicContact CG2-CB 3.99Å; T628-L640 HydrophobicContact CG2-CD2 4.05Å; T628-L640 HydrophobicContact CG2-CG 4.43Å; P630-L640 HydrophobicContact CB-CD2 4.21Å; L640-W642 HydrophobicContact CB-CD2 4.37Å; L640-W642 HydrophobicContact CB-CZ2 4.19Å; L640-W642 HydrophobicContact CD1-CH2 4.27Å; L640-W642 HydrophobicContact CD1-CZ2 3.57Å; L640-W642 PolarHBondContact O-N 3.45Å; L640-W642 VanDerWaalsContact O-N 3.09Å | ||
| 641 | P | 84.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 20.7 Ų | 20.7 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | trans | -87.1 | 69.6 | -172.1 | 36 | -38.6 | 0 | 0 | 0 | 113.1 | V631 Y639 G643 L931 Y935 | V631-P641 HydrophobicContact CG2-CG 3.85Å; Y639-P641 HydrophobicContact CE2-CB 3.91Å; P641-G643 VanDerWaalsContact C-N 3.32Å; P641-G643 PolarHBondContact O-N 3.02Å; P641-L931 WeakPolarHBondContact O-CB 3.4Å; P641-L931 VanDerWaalsContact O-CD1 3.3Å; P641-L931 WeakPolarHBondContact O-CD1 3.34Å; P641-Y935 HydrophobicContact CB-CD2 4.46Å; P641-Y935 HydrophobicContact CB-CE2 3.64Å; P641-Y935 HydrophobicContact CG-CD2 4.17Å; P641-Y935 HydrophobicContact CG-CE2 3.8Å | ||
| 642 | W | 84.2 | Confident | 84.9 | Confident | 14 Ų | 14 | 22.1 Ų | 22.1 | 5% | 0.053 | 12% | 0.122 | C | C | . | . | trans | -73.2 | -11.7 | -177.4 | -64.1 | -38.4 | 0 | 0 | 0 | 116.2 | F587 A590 F603 T625 T628 L640 P647 L931 | F587-W642 HydrophobicContact CB-CE3 4.24Å; F587-W642 HydrophobicContact CB-CH2 3.73Å; F587-W642 HydrophobicContact CB-CZ3 3.44Å; F587-W642 VanDerWaalsContact CB-CZ3 3.44Å; F587-W642 HydrophobicContact CD1-CH2 4.08Å; F587-W642 HydrophobicContact CD1-CZ3 4.48Å; F587-W642 HydrophobicContact CG-CH2 4.2Å; F587-W642 HydrophobicContact CG-CZ3 4.37Å; A590-W642 HydrophobicContact CB-CH2 3.73Å; A590-W642 HydrophobicContact CB-CZ2 4.42Å; A590-W642 HydrophobicContact CB-CZ3 3.94Å; F603-W642 AromaticContact CD2-CH2 3.83Å; F603-W642 HydrophobicContact CD2-CH2 3.83Å; F603-W642 HydrophobicContact CD2-CZ2 4.01Å; F603-W642 AromaticContact CE2-CH2 3.81Å; F603-W642 HydrophobicContact CE2-CH2 3.81Å; F603-W642 HydrophobicContact CE2-CZ2 4.03Å; T625-W642 HydrophobicContact CG2-CZ2 4.4Å; T628-W642 PolarHBondContact OG1-NE1 3.46Å; T628-W642 VanDerWaalsContact OG1-NE1 3.17Å; L640-W642 HydrophobicContact CB-CD2 4.37Å; L640-W642 HydrophobicContact CB-CZ2 4.19Å; L640-W642 HydrophobicContact CD1-CH2 4.27Å; L640-W642 HydrophobicContact CD1-CZ2 3.57Å; L640-W642 PolarHBondContact O-N 3.45Å; L640-W642 VanDerWaalsContact O-N 3.09Å; W642-P647 HydrophobicContact CB-CG 4.43Å; W642-P647 VanDerWaalsContact CD2-CD 3.46Å; W642-P647 HydrophobicContact CD2-CG 3.53Å; W642-P647 HydrophobicContact CE3-CG 4.03Å; W642-P647 HydrophobicContact CG-CG 3.73Å; W642-P647 HydrophobicContact CZ2-CG 4.09Å; W642-L931 WeakPolarHBondContact O-CD1 3.23Å | ||
| 643 | G | 77.4 | Confident | 85.4 | Confident | 32 Ų | 32 | 21.6 Ų | 21.6 | 33% | 0.33 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -145.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P641 K646 | P641-G643 VanDerWaalsContact C-N 3.32Å; P641-G643 PolarHBondContact O-N 3.02Å; G643-K646 WeakPolarHBondContact O-CD 3.22Å; G643-K646 WeakPolarHBondContact O-CE 3.1Å; G643-K646 PolarHBondContact O-NZ 3.34Å |
| 644 | D | 77.1 | Confident | 86.2 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 12% | 0.118 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -19.5 | -178.1 | -49.4 | -43.7 | 0 | 0 | 0 | 113.9 | K646 R1061 F1149 | D644-K646 PolarHBondContact O-N 3.34Å; D644-R1061 IonicContact OD2-NH2 2.68Å; D644-F1149 PolarHBondContact O-N 3.08Å |
| 645 | D | 82.3 | Confident | 87.6 | Confident | 32 Ų | 32 | 24.6 Ų | 24.6 | 17% | 0.171 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 77.7 | 179.9 | -63.6 | -47.7 | 0 | 0 | 0 | 108.7 | R1061 F1146 R1148 | D645-R1061 IonicContact OD2-NH1 3.51Å; D645-R1061 PolarHBondContact OD2-NH1 2.78Å; D645-F1146 HydrophobicContact CB-CB 4.41Å; D645-F1146 HydrophobicContact CB-CD1 4.2Å; D645-F1146 HydrophobicContact CB-CG 4.46Å; D645-F1146 WeakPolarHBondContact O-CD1 3.3Å; D645-R1148 VanDerWaalsContact OD1-CD 3.24Å; D645-R1148 WeakPolarHBondContact OD1-CD 3.43Å; D645-R1148 VanDerWaalsContact OD1-CG 3.23Å; D645-R1148 WeakPolarHBondContact OD1-CG 3.13Å; D645-R1148 IonicContact OD1-NE 3.28Å |
| 646 | K | 91.2 | Very high | 88.5 | Confident | 28 Ų | 28 | 21.1 Ų | 21.1 | 12% | 0.122 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.7 | -176.9 | -60.8 | -53.8 | -174.3 | -172.5 | 0 | 110.6 | F587 L588 G643 D644 C648 F1146 M1147 F1149 | F587-K646 WeakPolarHBondContact O-CB 3.47Å; L588-K646 WeakPolarHBondContact O-CD 3.4Å; L588-K646 VanDerWaalsContact O-CE 3.24Å; L588-K646 WeakPolarHBondContact O-CE 3.46Å; L588-K646 PolarHBondContact O-NZ 2.86Å; L588-K646 VanDerWaalsContact O-NZ 3.13Å; G643-K646 WeakPolarHBondContact O-CD 3.22Å; G643-K646 WeakPolarHBondContact O-CE 3.1Å; G643-K646 PolarHBondContact O-NZ 3.34Å; D644-K646 PolarHBondContact O-N 3.34Å; K646-C648 PolarHBondContact O-N 2.81Å; K646-F1146 CarbonylContact O-C 3.46Å; K646-F1146 VanDerWaalsContact O-CA 3.31Å; K646-F1146 WeakPolarHBondContact O-CA 3.2Å; K646-M1147 HydrophobicContact CB-CB 4.37Å; K646-M1147 PolarHBondContact N-O 3.3Å; K646-M1147 PolarHBondContact O-N 2.95Å; K646-F1149 HydrophobicContact CB-CE2 4.11Å; K646-F1149 HydrophobicContact CG-CD2 3.8Å; K646-F1149 HydrophobicContact CG-CE2 3.61Å |
| 647 | P | 94.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 137.4 | 177 | -25.2 | 35.3 | 0 | 0 | 0 | 111.3 | F587 T625 W642 | F587-P647 HydrophobicContact CB-CB 4.47Å; F587-P647 PolarHBondContact N-O 3.14Å; T625-P647 HydrophobicContact CG2-CB 3.68Å; T625-P647 HydrophobicContact CG2-CG 4.4Å; W642-P647 HydrophobicContact CB-CG 4.43Å; W642-P647 VanDerWaalsContact CD2-CD 3.46Å; W642-P647 HydrophobicContact CD2-CG 3.53Å; W642-P647 HydrophobicContact CE3-CG 4.03Å; W642-P647 HydrophobicContact CG-CG 3.73Å; W642-P647 HydrophobicContact CZ2-CG 4.09Å |
| 648 | C | 93.7 | Very high | 89.6 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.02 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.6 | 173.6 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | V585 K646 I1145 M1147 | V585-C648 CarbonylContact O-C 3.09Å; V585-C648 VanDerWaalsContact O-CA 3.28Å; V585-C648 WeakPolarHBondContact O-CA 3.45Å; K646-C648 PolarHBondContact O-N 2.81Å; C648-I1145 HydrophobicContact CB-CB 4.42Å; C648-I1145 HydrophobicContact CB-CG2 4.02Å; C648-I1145 PolarHBondContact N-O 2.83Å; C648-I1145 WeakPolarHBondContact O-CB 2.98Å; C648-M1147 HydrophobicContact CB-CG 3.81Å |
| 649 | T | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 146.1 | 174.9 | 62.4 | 0 | 0 | 0 | 0 | 109.8 | Y584 V585 F587 I605 A622 S623 | Y584-T649 WeakPolarHBondContact CA-O 3.47Å; V585-T649 WeakPolarHBondContact CB-OG1 3.5Å; V585-T649 PolarHBondContact N-O 3.04Å; V585-T649 PolarHBondContact O-N 2.94Å; V585-T649 PolarHBondContact O-OG1 2.85Å; F587-T649 HydrophobicContact CE2-CG2 3.91Å; I605-T649 HydrophobicContact CG1-CG2 4.14Å; I605-T649 WeakPolarHBondContact CG1-OG1 3.38Å; A622-T649 CarbonylContact O-C 3.39Å; A622-T649 WeakPolarHBondContact O-CA 3.42Å; A622-T649 WeakPolarHBondContact O-CB 3.27Å; S623-T649 VanDerWaalsContact C-CG2 3.49Å |
| 650 | M | 91.7 | Very high | 90.1 | Very high | 16 Ų | 16 | 16.7 Ų | 16.7 | 8% | 0.079 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 117.7 | 175.2 | -174.7 | -164.2 | 78.2 | 0 | 0 | 108.5 | L583 Y584 A622 C1117 I1145 | L583-M650 WeakPolarHBondContact O-CA 3.32Å; Y584-M650 HydrophobicContact CD1-CB 4.22Å; Y584-M650 HydrophobicContact CD1-CG 4.15Å; Y584-M650 HydrophobicContact CE1-CB 3.97Å; Y584-M650 HydrophobicContact CE1-CG 3.57Å; Y584-M650 HydrophobicContact CE1-SD 3.98Å; Y584-M650 HydrophobicContact CE2-CG 4.41Å; Y584-M650 PolarHBondContact OH-SD 2.89Å; A622-M650 PolarHBondContact N-O 2.85Å; A622-M650 PolarHBondContact O-N 2.94Å; M650-C1117 WeakPolarHBondContact CE-SG 3.34Å; M650-I1145 HydrophobicContact CB-CD1 3.53Å; M650-I1145 HydrophobicContact SD-CD1 4.35Å |
| 651 | V | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113 | 178.9 | -178.2 | 0 | 0 | 0 | 0 | 109 | L583 I605 I607 H610 C621 | L583-V651 HydrophobicContact CB-CB 4.22Å; L583-V651 HydrophobicContact CD2-CB 4.47Å; L583-V651 PolarHBondContact N-O 2.81Å; L583-V651 PolarHBondContact O-N 2.96Å; I605-V651 HydrophobicContact CG2-CG2 4.31Å; I607-V651 HydrophobicContact CG2-CG1 4.23Å; H610-V651 HydrophobicContact CB-CG1 3.64Å; C621-V651 HydrophobicContact CB-CG1 4.4Å; C621-V651 HydrophobicContact CB-CG2 4.45Å |
| 652 | D | 90.5 | Very high | 90.8 | Very high | 41 Ų | 41 | 16.3 Ų | 16.3 | 22% | 0.219 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.2 | 172.3 | -65.1 | -45.7 | 0 | 0 | 0 | 108.8 | Q582 H610 | Q582-D652 PolarHBondContact NE2-OD1 3.29Å; H610-D652 PolarHBondContact ND1-O 2.87Å; H610-D652 VanDerWaalsContact ND1-O 3.16Å |
| 653 | S | 93 | Very high | 91.3 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 166.6 | -178.4 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | Y581 W655 | Y581-S653 PolarHBondContact N-O 2.82Å; Y581-S653 PolarHBondContact O-N 2.87Å; Y581-S653 VanDerWaalsContact O-O 3.05Å; Y581-S653 PolarHBondContact O-OG 2.83Å; S653-W655 VanDerWaalsContact CB-NE1 3.34Å; S653-W655 PolarHBondContact OG-NE1 2.97Å |
| 654 | Q | 92.4 | Very high | 92.2 | Very high | 93 Ų | 93 | 14.4 Ų | 14.4 | 44% | 0.435 | 7% | 0.074 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 121.8 | 179 | -62 | -179.9 | 20.6 | 0 | 0 | 110.7 | R578 R579 K580 | R578-Q654 HydrophobicContact CB-CB 4.21Å; R579-Q654 VanDerWaalsContact O-CA 3.24Å; R579-Q654 WeakPolarHBondContact O-CA 3.39Å; K580-Q654 HydrophobicContact CG-CG 4.12Å |
| 655 | W | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 157.2 | -176 | -54.4 | 108 | 0 | 0 | 0 | 110.6 | R543 R578 R579 Y581 I607 H610 S653 I781 P782 F852 | R543-W655 VanDerWaalsContact NH1-CE3 3.32Å; R578-W655 CarbonylContact C-O 3.42Å; R578-W655 WeakPolarHBondContact CA-O 3.48Å; R579-W655 PolarHBondContact N-O 3.11Å; R579-W655 PolarHBondContact O-N 3.18Å; R579-W655 VanDerWaalsContact O-N 3.08Å; Y581-W655 HydrophobicContact CD2-CB 4.01Å; Y581-W655 HydrophobicContact CD2-CG 4.48Å; Y581-W655 HydrophobicContact CE2-CB 4.1Å; I607-W655 HydrophobicContact CG1-CZ2 4.14Å; H610-W655 AromaticContact CD2-CZ2 3.88Å; S653-W655 VanDerWaalsContact CB-NE1 3.34Å; S653-W655 PolarHBondContact OG-NE1 2.97Å; W655-I781 HydrophobicContact CB-CD1 4.36Å; W655-I781 HydrophobicContact CB-CG1 4.11Å; W655-I781 HydrophobicContact CG-CG1 4.4Å; W655-I781 HydrophobicContact CG-CG2 4.39Å; W655-P782 HydrophobicContact CH2-CG 3.53Å; W655-P782 HydrophobicContact CZ2-CG 4.02Å; W655-P782 HydrophobicContact CZ3-CG 3.81Å; W655-F852 AromaticContact CD1-CZ 3.91Å |
| 656 | E | 93.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.019 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 139.2 | 163.4 | 60.2 | -71.7 | 166.1 | 0 | 0 | 111.6 | R543 I658 I722 S780 | R543-E656 IonicContact CZ-OE2 3.6Å; R543-E656 VanDerWaalsContact NH1-CD 3.34Å; R543-E656 IonicContact NH1-OE1 3.81Å; R543-E656 PolarHBondContact NH1-OE1 3.27Å; R543-E656 VanDerWaalsContact NH1-OE1 3.13Å; R543-E656 IonicContact NH1-OE2 3.82Å; R543-E656 PolarHBondContact NH1-OE2 3.19Å; R543-E656 IonicContact NH2-OE2 2.73Å; R543-E656 PolarHBondContact NH2-OE2 2.88Å; E656-I658 HydrophobicContact CG-CG2 4.01Å; E656-I658 PolarHBondContact O-N 2.85Å; E656-I722 HydrophobicContact CB-CG2 3.6Å; E656-S780 VanDerWaalsContact CG-OG 3.31Å; E656-S780 WeakPolarHBondContact CG-OG 3.4Å; E656-S780 VanDerWaalsContact OE1-C 3.3Å; E656-S780 WeakPolarHBondContact OE1-CB 3.49Å; E656-S780 PolarHBondContact OE1-OG 2.81Å |
| 657 | D | 93.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.011 | 6% | 0.057 | C | C | . | . | trans | -87 | 96.9 | -180 | -172.4 | -16.6 | 0 | 0 | 0 | 110.2 | R579 S659 N721 I722 | R579-D657 WeakPolarHBondContact CD-OD2 3.38Å; R579-D657 HydrophobicContact CG-CB 4.16Å; R579-D657 IonicContact CZ-OD2 3.95Å; R579-D657 IonicContact NE-OD2 2.67Å; R579-D657 IonicContact NH1-OD2 3.79Å; R579-D657 PolarHBondContact NH1-OD2 2.92Å; D657-S659 VanDerWaalsContact OD1-CB 3.24Å; D657-S659 WeakPolarHBondContact OD1-CB 3.33Å; D657-S659 PolarHBondContact OD1-N 2.96Å; D657-S659 VanDerWaalsContact OD1-N 3.13Å; D657-S659 PolarHBondContact OD1-OG 3.44Å; D657-N721 WeakPolarHBondContact O-CB 3.4Å; D657-N721 PolarHBondContact OD1-ND2 3.23Å; D657-N721 PolarHBondContact OD2-ND2 3.09Å; D657-I722 PolarHBondContact O-N 3.07Å | ||
| 658 | I | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -106.2 | 25.6 | 176.3 | 58.1 | 157.3 | 0 | 0 | 0 | 112.6 | E656 F660 R661 L662 I722 S780 I781 | E656-I658 HydrophobicContact CG-CG2 4.01Å; E656-I658 PolarHBondContact O-N 2.85Å; I658-F660 PolarHBondContact O-N 2.88Å; I658-F660 VanDerWaalsContact O-N 3.15Å; I658-R661 HydrophobicContact CB-CG 4.42Å; I658-R661 WeakPolarHBondContact O-CB 3.23Å; I658-R661 PolarHBondContact O-N 3.32Å; I658-L662 HydrophobicContact CD1-CD1 3.94Å; I658-L662 HydrophobicContact CD1-CD2 3.89Å; I658-L662 HydrophobicContact CD1-CG 3.85Å; I658-L662 HydrophobicContact CG1-CD1 4.08Å; I658-L662 HydrophobicContact CG1-CG 4.11Å; I658-L662 PolarHBondContact O-N 3.5Å; I658-I722 HydrophobicContact CG2-CD1 3.45Å; I658-I722 VanDerWaalsContact CG2-CD1 3.45Å; I658-I722 HydrophobicContact CG2-CG1 3.91Å; I658-S780 WeakPolarHBondContact CD1-OG 3.36Å; I658-I781 HydrophobicContact CD1-CD1 4.31Å; I658-I781 HydrophobicContact CD1-CG1 4.08Å; I658-I781 HydrophobicContact CG1-CD1 3.91Å; I658-I781 HydrophobicContact CG1-CG1 4.07Å | ||
| 659 | S | 91.6 | Very high | 94.5 | Very high | 24 Ų | 24 | 12.6 Ų | 12.6 | 17% | 0.168 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -52.9 | -36.2 | -176.5 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | D657 R661 L662 G663 N721 | D657-S659 VanDerWaalsContact OD1-CB 3.24Å; D657-S659 WeakPolarHBondContact OD1-CB 3.33Å; D657-S659 PolarHBondContact OD1-N 2.96Å; D657-S659 VanDerWaalsContact OD1-N 3.13Å; D657-S659 PolarHBondContact OD1-OG 3.44Å; S659-R661 VanDerWaalsContact C-N 3.29Å; S659-R661 PolarHBondContact O-N 3.04Å; S659-L662 PolarHBondContact O-N 3.35Å; S659-G663 PolarHBondContact O-N 3.26Å; S659-N721 PolarHBondContact OG-ND2 3.07Å |
| 660 | F | 94 | Very high | 94.6 | Very high | 21 Ų | 21 | 15.1 Ų | 15.1 | 9% | 0.092 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.8 | -30.9 | 176.1 | 76.3 | -86.1 | 0 | 0 | 0 | 113.9 | I658 P715 N721 I722 D728 | I658-F660 PolarHBondContact O-N 2.88Å; I658-F660 VanDerWaalsContact O-N 3.15Å; F660-P715 HydrophobicContact CB-CB 4.27Å; F660-N721 HydrophobicContact CD1-CB 4.15Å; F660-N721 HydrophobicContact CE1-CB 4.42Å; F660-I722 HydrophobicContact CE1-CG1 4.33Å; F660-D728 HydrophobicContact CE2-CB 3.98Å; F660-D728 HydrophobicContact CZ-CB 4.36Å; F660-D728 WeakPolarHBondContact CZ-OD2 3.05Å |
| 661 | R | 95.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 1% | 0.011 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -74.4 | -52.1 | 175 | -58.8 | -178.8 | -177.1 | 160.2 | 0 | 110.6 | S509 I658 S659 G663 A664 V665 N725 D728 E776 Q778 | S509-R661 PolarHBondContact OG-NH1 2.77Å; I658-R661 HydrophobicContact CB-CG 4.42Å; I658-R661 WeakPolarHBondContact O-CB 3.23Å; I658-R661 PolarHBondContact O-N 3.32Å; S659-R661 VanDerWaalsContact C-N 3.29Å; S659-R661 PolarHBondContact O-N 3.04Å; R661-G663 PolarHBondContact O-N 3.08Å; R661-A664 WeakPolarHBondContact O-CB 3.29Å; R661-A664 PolarHBondContact O-N 2.98Å; R661-V665 PolarHBondContact O-N 2.92Å; R661-N725 PolarHBondContact NH2-ND2 3.44Å; R661-D728 IonicContact CZ-OD1 2.77Å; R661-D728 IonicContact CZ-OD2 2.89Å; R661-D728 IonicContact NE-OD1 3.09Å; R661-D728 PolarHBondContact NE-OD1 2.93Å; R661-D728 IonicContact NE-OD2 3.56Å; R661-D728 IonicContact NH2-OD1 2.66Å; R661-D728 PolarHBondContact NH2-OD1 3.38Å; R661-D728 IonicContact NH2-OD2 2.93Å; R661-D728 PolarHBondContact NH2-OD2 2.84Å; R661-E776 HydrophobicContact CB-CG 4.42Å; R661-Q778 PolarHBondContact NH1-O 3.06Å |
| 662 | L | 95.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.6 | -34.3 | -174.6 | -56.4 | -172.6 | 0 | 0 | 0 | 112 | I658 S659 A664 V665 N666 M779 I781 H803 L806 | I658-L662 HydrophobicContact CD1-CD1 3.94Å; I658-L662 HydrophobicContact CD1-CD2 3.89Å; I658-L662 HydrophobicContact CD1-CG 3.85Å; I658-L662 HydrophobicContact CG1-CD1 4.08Å; I658-L662 HydrophobicContact CG1-CG 4.11Å; I658-L662 PolarHBondContact O-N 3.5Å; S659-L662 PolarHBondContact O-N 3.35Å; L662-A664 VanDerWaalsContact C-N 3.3Å; L662-A664 PolarHBondContact O-N 3.4Å; L662-V665 WeakPolarHBondContact O-CB 3.34Å; L662-V665 PolarHBondContact O-N 3.23Å; L662-N666 WeakPolarHBondContact O-CB 3.46Å; L662-N666 VanDerWaalsContact O-CG 3.28Å; L662-N666 PolarHBondContact O-N 3.35Å; L662-N666 PolarHBondContact O-ND2 2.7Å; L662-M779 HydrophobicContact CD2-CG 4.07Å; L662-M779 HydrophobicContact CD2-SD 4.41Å; L662-I781 HydrophobicContact CD1-CD1 4.08Å; L662-H803 HydrophobicContact CB-CB 4.18Å; L662-H803 HydrophobicContact CD1-CB 4.48Å; L662-H803 HydrophobicContact CD2-CB 4.18Å; L662-H803 HydrophobicContact CG-CB 4.5Å; L662-L806 HydrophobicContact CB-CD2 3.62Å; L662-L806 HydrophobicContact CD1-CD2 3.78Å; L662-L806 HydrophobicContact CG-CD2 4.32Å |
| 663 | G | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.2 | -35.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S659 R661 N666 L667 | S659-G663 PolarHBondContact O-N 3.26Å; R661-G663 PolarHBondContact O-N 3.08Å; G663-N666 PolarHBondContact O-N 2.63Å; G663-L667 PolarHBondContact O-N 2.79Å |
| 664 | A | 96.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R661 L662 L668 L714 P715 | R661-A664 WeakPolarHBondContact O-CB 3.29Å; R661-A664 PolarHBondContact O-N 2.98Å; L662-A664 VanDerWaalsContact C-N 3.3Å; L662-A664 PolarHBondContact O-N 3.4Å; A664-L668 VanDerWaalsContact O-CG 3.3Å; A664-L668 WeakPolarHBondContact O-CG 3.41Å; A664-L668 PolarHBondContact O-N 3.15Å; A664-L668 VanDerWaalsContact O-N 3.13Å; A664-L714 HydrophobicContact CB-CD2 4.16Å; A664-P715 HydrophobicContact CB-CG 4.44Å |
| 665 | V | 96.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.018 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | R661 L662 L667 L668 L669 A774 E776 | R661-V665 PolarHBondContact O-N 2.92Å; L662-V665 WeakPolarHBondContact O-CB 3.34Å; L662-V665 PolarHBondContact O-N 3.23Å; V665-L667 PolarHBondContact O-N 3.27Å; V665-L668 PolarHBondContact O-N 3.18Å; V665-L669 HydrophobicContact CG1-CD1 3.81Å; V665-L669 HydrophobicContact CG1-CG 4.21Å; V665-L669 WeakPolarHBondContact O-CG 3.46Å; V665-L669 PolarHBondContact O-N 3.21Å; V665-A774 WeakPolarHBondContact CG1-O 3.14Å; V665-A774 WeakPolarHBondContact CG2-O 3.3Å; V665-E776 HydrophobicContact CG2-CB 3.47Å; V665-E776 VanDerWaalsContact CG2-CB 3.47Å; V665-E776 HydrophobicContact CG2-CG 4.16Å |
| 666 | N | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | -178 | -74.2 | -18.1 | 0 | 0 | 0 | 112.8 | L662 G663 L669 R670 H803 Y813 G815 | L662-N666 WeakPolarHBondContact O-CB 3.46Å; L662-N666 VanDerWaalsContact O-CG 3.28Å; L662-N666 PolarHBondContact O-N 3.35Å; L662-N666 PolarHBondContact O-ND2 2.7Å; G663-N666 PolarHBondContact O-N 2.63Å; N666-L669 PolarHBondContact O-N 2.8Å; N666-R670 WeakPolarHBondContact O-CB 3.14Å; N666-R670 PolarHBondContact O-N 3.43Å; N666-H803 PolarHBondContact ND2-O 3.41Å; N666-H803 VanDerWaalsContact ND2-O 3.11Å; N666-H803 PolarHBondContact OD1-O 3.39Å; N666-Y813 WeakPolarHBondContact CB-O 3.27Å; N666-Y813 PolarHBondContact ND2-O 3.48Å; N666-G815 WeakPolarHBondContact ND2-CA 3.4Å; N666-G815 PolarHBondContact ND2-N 3.03Å; N666-G815 VanDerWaalsContact ND2-N 3.19Å |
| 667 | L | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.7 | -51.8 | 172.4 | 172.7 | 60.4 | 0 | 0 | 0 | 110.4 | G663 V665 L669 R670 I671 H712 L714 D812 Y813 | G663-L667 PolarHBondContact O-N 2.79Å; V665-L667 PolarHBondContact O-N 3.27Å; L667-L669 PolarHBondContact O-N 2.78Å; L667-R670 WeakPolarHBondContact O-CB 3.39Å; L667-R670 PolarHBondContact O-N 3.08Å; L667-R670 VanDerWaalsContact O-N 3.1Å; L667-I671 HydrophobicContact CD1-CD1 4.22Å; L667-I671 HydrophobicContact CD1-CG1 4.28Å; L667-I671 HydrophobicContact CG-CD1 4.28Å; L667-I671 WeakPolarHBondContact O-CG1 3.37Å; L667-I671 PolarHBondContact O-N 3.14Å; L667-H712 HydrophobicContact CD1-CB 3.79Å; L667-H712 HydrophobicContact CD2-CB 3.93Å; L667-L714 HydrophobicContact CD2-CD2 4.16Å; L667-D812 VanDerWaalsContact CA-O 3.32Å; L667-D812 WeakPolarHBondContact CA-O 3.46Å; L667-D812 HydrophobicContact CD1-CB 4.22Å; L667-D812 PolarHBondContact N-O 3.31Å; L667-Y813 HydrophobicContact CB-CD1 4.33Å; L667-Y813 HydrophobicContact CD2-CE1 4.32Å |
| 668 | L | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | -179.3 | -67.2 | 167.7 | 0 | 0 | 0 | 112.4 | A664 V665 R670 I671 A672 R735 L739 I770 L773 A774 | A664-L668 VanDerWaalsContact O-CG 3.3Å; A664-L668 WeakPolarHBondContact O-CG 3.41Å; A664-L668 PolarHBondContact O-N 3.15Å; A664-L668 VanDerWaalsContact O-N 3.13Å; V665-L668 PolarHBondContact O-N 3.18Å; L668-R670 VanDerWaalsContact C-N 3.29Å; L668-R670 PolarHBondContact O-N 2.81Å; L668-I671 PolarHBondContact O-N 2.9Å; L668-A672 PolarHBondContact O-N 2.86Å; L668-R735 HydrophobicContact CD1-CG 4.14Å; L668-L739 HydrophobicContact CD2-CD1 4.17Å; L668-L739 HydrophobicContact CD2-CD2 3.97Å; L668-L739 HydrophobicContact CD2-CG 4.33Å; L668-I770 HydrophobicContact CB-CG2 4.17Å; L668-I770 HydrophobicContact CD2-CD1 4.36Å; L668-I770 HydrophobicContact CD2-CG2 4.36Å; L668-I770 WeakPolarHBondContact O-CG2 3.24Å; L668-L773 HydrophobicContact CD1-CB 4.02Å; L668-L773 WeakPolarHBondContact CD1-O 3.47Å; L668-L773 HydrophobicContact CD2-CB 4.43Å; L668-A774 HydrophobicContact CB-CB 3.85Å; L668-A774 HydrophobicContact CD1-CB 4.48Å |
| 669 | L | 97.1 | Very high | 95.3 | Very high | 41 Ų | 41 | 21.1 Ų | 21.1 | 22% | 0.215 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -34.2 | 175.9 | -70 | 177.5 | 0 | 0 | 0 | 112.4 | V665 N666 L667 A672 D673 L771 A774 L816 | V665-L669 HydrophobicContact CG1-CD1 3.81Å; V665-L669 HydrophobicContact CG1-CG 4.21Å; V665-L669 WeakPolarHBondContact O-CG 3.46Å; V665-L669 PolarHBondContact O-N 3.21Å; N666-L669 PolarHBondContact O-N 2.8Å; L667-L669 PolarHBondContact O-N 2.78Å; L669-A672 PolarHBondContact O-N 2.88Å; L669-D673 PolarHBondContact O-N 2.76Å; L669-L771 HydrophobicContact CD2-CD2 4.11Å; L669-A774 HydrophobicContact CD2-CB 3.79Å; L669-A774 HydrophobicContact CG-CB 4.02Å; L669-L816 HydrophobicContact CB-CD1 4.03Å |
| 670 | R | 96 | Very high | 94.9 | Very high | 53 Ų | 53 | 22 Ų | 22 | 20% | 0.2 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 174.3 | -175.8 | 179.2 | -63.5 | -81.5 | -3.3 | 111.9 | N666 L667 L668 A672 D673 H674 E811 R814 L816 | N666-R670 WeakPolarHBondContact O-CB 3.14Å; N666-R670 PolarHBondContact O-N 3.43Å; L667-R670 WeakPolarHBondContact O-CB 3.39Å; L667-R670 PolarHBondContact O-N 3.08Å; L667-R670 VanDerWaalsContact O-N 3.1Å; L668-R670 VanDerWaalsContact C-N 3.29Å; L668-R670 PolarHBondContact O-N 2.81Å; R670-A672 VanDerWaalsContact C-N 3.29Å; R670-A672 PolarHBondContact O-N 3.18Å; R670-D673 WeakPolarHBondContact O-CB 3.48Å; R670-D673 PolarHBondContact O-N 3.1Å; R670-H674 PolarHBondContact O-CD2 2.88Å; R670-H674 VanDerWaalsContact O-CD2 3.3Å; R670-H674 PolarHBondContact O-N 2.97Å; R670-E811 PolarHBondContact NE-O 2.91Å; R670-E811 PolarHBondContact NH2-O 3.02Å; R670-R814 PolarHBondContact NH2-O 3.5Å; R670-L816 HydrophobicContact CB-CD2 4.09Å; R670-L816 HydrophobicContact CG-CD2 4.28Å |
| 671 | I | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 173.9 | -59 | 179.1 | 0 | 0 | 0 | 110.5 | L667 L668 H674 L675 F706 D709 L739 I770 | L667-I671 HydrophobicContact CD1-CD1 4.22Å; L667-I671 HydrophobicContact CD1-CG1 4.28Å; L667-I671 HydrophobicContact CG-CD1 4.28Å; L667-I671 WeakPolarHBondContact O-CG1 3.37Å; L667-I671 PolarHBondContact O-N 3.14Å; L668-I671 PolarHBondContact O-N 2.9Å; I671-H674 PolarHBondContact O-N 3.19Å; I671-L675 PolarHBondContact O-N 3.41Å; I671-L675 VanDerWaalsContact O-N 3.08Å; I671-F706 HydrophobicContact CG2-CD2 3.6Å; I671-F706 HydrophobicContact CG2-CE2 3.54Å; I671-D709 HydrophobicContact CB-CB 4.39Å; I671-D709 HydrophobicContact CD1-CB 4.13Å; I671-D709 HydrophobicContact CG1-CB 3.81Å; I671-D709 HydrophobicContact CG2-CB 3.98Å; I671-L739 HydrophobicContact CD1-CD2 4.28Å; I671-I770 HydrophobicContact CB-CG2 4.24Å; I671-I770 HydrophobicContact CG2-CD1 4.32Å; I671-I770 HydrophobicContact CG2-CG1 4.28Å; I671-I770 HydrophobicContact CG2-CG2 4.37Å |
| 672 | A | 96.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L668 L669 R670 L675 E676 I770 L771 | L668-A672 PolarHBondContact O-N 2.86Å; L669-A672 PolarHBondContact O-N 2.88Å; R670-A672 VanDerWaalsContact C-N 3.29Å; R670-A672 PolarHBondContact O-N 3.18Å; A672-L675 PolarHBondContact O-N 3.06Å; A672-E676 PolarHBondContact O-N 3.19Å; A672-I770 HydrophobicContact CB-CG2 3.95Å; A672-L771 HydrophobicContact CB-CD2 3.74Å; A672-L771 HydrophobicContact CB-CG 4.06Å |
| 673 | D | 94.5 | Very high | 93.6 | Very high | 62 Ų | 62 | 29.6 Ų | 29.6 | 33% | 0.332 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.7 | -176.2 | 76 | 0 | 0 | 0 | 111.6 | L669 R670 L675 E676 R677 L816 | L669-D673 PolarHBondContact O-N 2.76Å; R670-D673 WeakPolarHBondContact O-CB 3.48Å; R670-D673 PolarHBondContact O-N 3.1Å; D673-L675 PolarHBondContact O-N 2.72Å; D673-E676 PolarHBondContact O-N 2.91Å; D673-R677 WeakPolarHBondContact O-CG 3.4Å; D673-R677 PolarHBondContact O-N 2.88Å; D673-R677 IonicContact OD2-CZ 3.98Å; D673-R677 IonicContact OD2-NE 3.23Å; D673-R677 IonicContact OD2-NH1 3.66Å; D673-R677 PolarHBondContact OD2-NH1 2.82Å; D673-L816 HydrophobicContact CB-CD1 4.48Å |
| 674 | H | 95.2 | Very high | 92.7 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 175.6 | -69.4 | -173.4 | 0 | 0 | 0 | 111.6 | R670 I671 E676 R677 G678 E705 D709 | R670-H674 PolarHBondContact O-CD2 2.88Å; R670-H674 VanDerWaalsContact O-CD2 3.3Å; R670-H674 PolarHBondContact O-N 2.97Å; I671-H674 PolarHBondContact O-N 3.19Å; H674-E676 PolarHBondContact O-N 2.8Å; H674-R677 PolarHBondContact CD2-NH2 3.11Å; H674-R677 PolarHBondContact NE2-NH2 3.06Å; H674-R677 PolarHBondContact O-N 2.8Å; H674-G678 PolarHBondContact O-N 2.9Å; H674-E705 IonicContact ND1-OE1 3.48Å; H674-D709 IonicContact CE1-OD1 2.68Å; H674-D709 IonicContact CE1-OD2 3.34Å; H674-D709 IonicContact CG-OD2 3.38Å; H674-D709 IonicContact ND1-OD1 3.78Å; H674-D709 PolarHBondContact ND1-OD1 3.1Å; H674-D709 IonicContact ND1-OD2 2.91Å; H674-D709 PolarHBondContact ND1-OD2 2.91Å |
| 675 | L | 96.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 174.8 | -79.2 | 174.8 | 0 | 0 | 0 | 112.9 | I671 A672 D673 R677 G678 I679 F706 L763 R767 | I671-L675 PolarHBondContact O-N 3.41Å; I671-L675 VanDerWaalsContact O-N 3.08Å; A672-L675 PolarHBondContact O-N 3.06Å; D673-L675 PolarHBondContact O-N 2.72Å; L675-R677 VanDerWaalsContact C-N 3.32Å; L675-R677 PolarHBondContact O-N 3.03Å; L675-G678 PolarHBondContact O-N 2.87Å; L675-I679 WeakPolarHBondContact O-CB 3.39Å; L675-I679 WeakPolarHBondContact O-CD1 3.37Å; L675-I679 WeakPolarHBondContact O-CG1 3.44Å; L675-I679 PolarHBondContact O-N 2.74Å; L675-F706 HydrophobicContact CD1-CD2 3.56Å; L675-F706 HydrophobicContact CD1-CE2 3.61Å; L675-F706 HydrophobicContact CD1-CG 4.26Å; L675-F706 HydrophobicContact CD1-CZ 4.33Å; L675-F706 HydrophobicContact CD2-CB 3.82Å; L675-F706 HydrophobicContact CD2-CD2 3.87Å; L675-F706 HydrophobicContact CD2-CG 3.82Å; L675-F706 HydrophobicContact CG-CB 4.46Å; L675-F706 HydrophobicContact CG-CD2 3.76Å; L675-F706 HydrophobicContact CG-CE2 4.32Å; L675-F706 HydrophobicContact CG-CG 4.24Å; L675-L763 HydrophobicContact CD2-CD2 3.76Å; L675-R767 HydrophobicContact CB-CB 4.19Å; L675-R767 HydrophobicContact CD1-CB 3.97Å |
| 676 | E | 94.4 | Very high | 91 | Very high | 67 Ų | 67 | 36.2 Ų | 36.2 | 31% | 0.313 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 178.2 | -177.4 | 64.9 | -153.3 | 0 | 0 | 111.8 | A672 D673 H674 S680 R767 | A672-E676 PolarHBondContact O-N 3.19Å; D673-E676 PolarHBondContact O-N 2.91Å; H674-E676 PolarHBondContact O-N 2.8Å; E676-S680 VanDerWaalsContact O-CB 3.26Å; E676-S680 WeakPolarHBondContact O-CB 3.46Å; E676-S680 PolarHBondContact O-N 3.48Å; E676-S680 PolarHBondContact O-OG 3.02Å; E676-R767 VanDerWaalsContact OE2-CD 3.28Å; E676-R767 WeakPolarHBondContact OE2-CD 3.46Å; E676-R767 IonicContact OE2-CZ 3.43Å; E676-R767 IonicContact OE2-NE 3.73Å; E676-R767 PolarHBondContact OE2-NE 3.38Å; E676-R767 IonicContact OE2-NH2 2.9Å; E676-R767 PolarHBondContact OE2-NH2 3.45Å; E676-R767 VanDerWaalsContact OE2-NH2 3.16Å |
| 677 | R | 90.8 | Very high | 89.5 | Confident | 111 Ų | 111 | 43.4 Ų | 43.4 | 42% | 0.419 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 175.6 | -66.3 | -174.7 | -51 | -156.7 | 10.5 | 111.3 | D673 H674 L675 S680 H681 | D673-R677 WeakPolarHBondContact O-CG 3.4Å; D673-R677 PolarHBondContact O-N 2.88Å; D673-R677 IonicContact OD2-CZ 3.98Å; D673-R677 IonicContact OD2-NE 3.23Å; D673-R677 IonicContact OD2-NH1 3.66Å; D673-R677 PolarHBondContact OD2-NH1 2.82Å; H674-R677 PolarHBondContact CD2-NH2 3.11Å; H674-R677 PolarHBondContact NE2-NH2 3.06Å; H674-R677 PolarHBondContact O-N 2.8Å; L675-R677 VanDerWaalsContact C-N 3.32Å; L675-R677 PolarHBondContact O-N 3.03Å; R677-S680 PolarHBondContact O-N 2.92Å; R677-H681 VanDerWaalsContact O-CG 3.29Å; R677-H681 PolarHBondContact O-N 3Å; R677-H681 PolarHBondContact O-ND1 3.35Å |
| 678 | G | 91.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 46 Ų | 46 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H674 L675 S680 H681 L682 S702 | H674-G678 PolarHBondContact O-N 2.9Å; L675-G678 PolarHBondContact O-N 2.87Å; G678-S680 PolarHBondContact O-N 2.92Å; G678-H681 PolarHBondContact O-N 2.68Å; G678-L682 WeakPolarHBondContact O-CB 3.41Å; G678-L682 PolarHBondContact O-N 2.95Å; G678-S702 VanDerWaalsContact CA-OG 3.3Å; G678-S702 WeakPolarHBondContact CA-OG 3.27Å |
| 679 | I | 94.3 | Very high | 86.9 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 175.9 | -71.6 | 164.3 | 0 | 0 | 0 | 110.9 | L675 L682 M683 L760 L763 K764 R767 | L675-I679 WeakPolarHBondContact O-CB 3.39Å; L675-I679 WeakPolarHBondContact O-CD1 3.37Å; L675-I679 WeakPolarHBondContact O-CG1 3.44Å; L675-I679 PolarHBondContact O-N 2.74Å; I679-L682 PolarHBondContact O-N 2.83Å; I679-M683 HydrophobicContact CG2-CE 3.93Å; I679-M683 HydrophobicContact CG2-CG 4.38Å; I679-M683 HydrophobicContact CG2-SD 4.19Å; I679-M683 WeakPolarHBondContact O-CG 3.47Å; I679-M683 PolarHBondContact O-N 2.92Å; I679-L760 HydrophobicContact CG2-CD1 3.99Å; I679-L763 HydrophobicContact CD1-CB 4.11Å; I679-L763 HydrophobicContact CG1-CB 3.87Å; I679-K764 HydrophobicContact CD1-CG 4.02Å; I679-K764 HydrophobicContact CG2-CG 4.4Å; I679-R767 HydrophobicContact CD1-CB 4.4Å |
| 680 | S | 84.9 | Confident | 85.9 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 179.9 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | E676 R677 G678 L682 M683 V684 | E676-S680 VanDerWaalsContact O-CB 3.26Å; E676-S680 WeakPolarHBondContact O-CB 3.46Å; E676-S680 PolarHBondContact O-N 3.48Å; E676-S680 PolarHBondContact O-OG 3.02Å; R677-S680 PolarHBondContact O-N 2.92Å; G678-S680 PolarHBondContact O-N 2.92Å; S680-L682 VanDerWaalsContact C-N 3.34Å; S680-L682 PolarHBondContact O-N 2.8Å; S680-M683 PolarHBondContact O-N 3.35Å; S680-V684 VanDerWaalsContact O-CG2 3.29Å; S680-V684 WeakPolarHBondContact O-CG2 3.27Å; S680-V684 PolarHBondContact O-N 3.23Å |
| 681 | H | 85.5 | Confident | 85.4 | Confident | 114 Ų | 114 | 55.5 Ų | 55.5 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.8 | -67.7 | 163.2 | 0 | 0 | 0 | 112.2 | R677 G678 V684 A685 L698 | R677-H681 VanDerWaalsContact O-CG 3.29Å; R677-H681 PolarHBondContact O-N 3Å; R677-H681 PolarHBondContact O-ND1 3.35Å; G678-H681 PolarHBondContact O-N 2.68Å; H681-V684 PolarHBondContact O-N 2.85Å; H681-A685 WeakPolarHBondContact O-CB 3.35Å; H681-A685 PolarHBondContact O-N 3.41Å; H681-L698 HydrophobicContact CB-CD2 4.44Å |
| 682 | L | 87.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.5 | -177.4 | 58.4 | 0 | 0 | 0 | 111.8 | G678 I679 S680 V684 A685 I686 Q695 L698 A699 I756 L760 L763 | G678-L682 WeakPolarHBondContact O-CB 3.41Å; G678-L682 PolarHBondContact O-N 2.95Å; I679-L682 PolarHBondContact O-N 2.83Å; S680-L682 VanDerWaalsContact C-N 3.34Å; S680-L682 PolarHBondContact O-N 2.8Å; L682-V684 VanDerWaalsContact C-N 3.33Å; L682-V684 PolarHBondContact O-N 2.93Å; L682-A685 WeakPolarHBondContact O-CB 3.35Å; L682-A685 PolarHBondContact O-N 3.22Å; L682-A685 VanDerWaalsContact O-N 3.16Å; L682-I686 HydrophobicContact CD1-CD1 4.32Å; L682-I686 HydrophobicContact CD1-CG1 4.42Å; L682-I686 HydrophobicContact CG-CD1 4.01Å; L682-I686 VanDerWaalsContact O-CG1 3.29Å; L682-I686 WeakPolarHBondContact O-CG1 3.43Å; L682-I686 PolarHBondContact O-N 3.16Å; L682-Q695 HydrophobicContact CD1-CB 4.11Å; L682-Q695 VanDerWaalsContact CD1-O 3.29Å; L682-Q695 WeakPolarHBondContact CD1-O 3.38Å; L682-L698 HydrophobicContact CD1-CB 4.28Å; L682-A699 HydrophobicContact CD2-CB 4.01Å; L682-I756 HydrophobicContact CD1-CG2 4.13Å; L682-I756 HydrophobicContact CD2-CG2 4.45Å; L682-L760 HydrophobicContact CD2-CB 4.35Å; L682-L760 HydrophobicContact CD2-CD1 4.05Å; L682-L763 HydrophobicContact CD2-CD1 4.36Å |
| 683 | M | 84.7 | Confident | 84.2 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 176.6 | -72.3 | -169.8 | -53.2 | 0 | 0 | 112.3 | I679 S680 A685 I686 K687 L760 | I679-M683 HydrophobicContact CG2-CE 3.93Å; I679-M683 HydrophobicContact CG2-CG 4.38Å; I679-M683 HydrophobicContact CG2-SD 4.19Å; I679-M683 WeakPolarHBondContact O-CG 3.47Å; I679-M683 PolarHBondContact O-N 2.92Å; S680-M683 PolarHBondContact O-N 3.35Å; M683-A685 VanDerWaalsContact C-N 3.34Å; M683-I686 PolarHBondContact O-N 3Å; M683-K687 WeakPolarHBondContact O-CB 3.45Å; M683-K687 PolarHBondContact O-N 3.32Å; M683-L760 HydrophobicContact CG-CD1 4.1Å; M683-L760 HydrophobicContact CG-CD2 4.23Å |
| 684 | V | 74.9 | Confident | 83.8 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 61% | 0.606 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 173.6 | 171 | 0 | 0 | 0 | 0 | 110.5 | S680 H681 L682 K687 A688 | S680-V684 VanDerWaalsContact O-CG2 3.29Å; S680-V684 WeakPolarHBondContact O-CG2 3.27Å; S680-V684 PolarHBondContact O-N 3.23Å; H681-V684 PolarHBondContact O-N 2.85Å; L682-V684 VanDerWaalsContact C-N 3.33Å; L682-V684 PolarHBondContact O-N 2.93Å; V684-K687 PolarHBondContact O-N 2.92Å; V684-A688 VanDerWaalsContact O-CB 3.24Å; V684-A688 WeakPolarHBondContact O-CB 3.46Å; V684-A688 PolarHBondContact O-N 2.72Å |
| 685 | A | 77.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H681 L682 M683 A688 N689 L690 Q695 L698 | H681-A685 WeakPolarHBondContact O-CB 3.35Å; H681-A685 PolarHBondContact O-N 3.41Å; L682-A685 WeakPolarHBondContact O-CB 3.35Å; L682-A685 PolarHBondContact O-N 3.22Å; L682-A685 VanDerWaalsContact O-N 3.16Å; M683-A685 VanDerWaalsContact C-N 3.34Å; A685-A688 PolarHBondContact O-N 3.3Å; A685-N689 PolarHBondContact O-N 2.96Å; A685-L690 HydrophobicContact CB-CB 4.38Å; A685-L690 HydrophobicContact CB-CD1 3.79Å; A685-L690 HydrophobicContact CB-CG 4.32Å; A685-L690 PolarHBondContact O-N 2.75Å; A685-Q695 HydrophobicContact CB-CG 4.14Å; A685-L698 HydrophobicContact CB-CD1 3.61Å |
| 686 | I | 80 | Confident | 83 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 174.7 | -67.5 | 163.7 | 0 | 0 | 0 | 109.7 | L682 M683 A688 N689 I756 L760 | L682-I686 HydrophobicContact CD1-CD1 4.32Å; L682-I686 HydrophobicContact CD1-CG1 4.42Å; L682-I686 HydrophobicContact CG-CD1 4.01Å; L682-I686 VanDerWaalsContact O-CG1 3.29Å; L682-I686 WeakPolarHBondContact O-CG1 3.43Å; L682-I686 PolarHBondContact O-N 3.16Å; M683-I686 PolarHBondContact O-N 3Å; I686-A688 PolarHBondContact O-N 2.99Å; I686-N689 PolarHBondContact O-N 2.9Å; I686-N689 PolarHBondContact O-OD1 2.71Å; I686-I756 HydrophobicContact CD1-CG2 3.91Å; I686-I756 HydrophobicContact CG1-CG2 4.28Å; I686-L760 HydrophobicContact CD1-CD2 4.13Å |
| 687 | K | 67.1 | Low | 82.8 | Confident | 152 Ų | 152 | 73.1 Ų | 73.1 | 66% | 0.661 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.4 | -31.8 | -179.4 | -170.7 | 177.1 | -179.7 | -179.3 | 0 | 112.6 | M683 V684 N689 | M683-K687 WeakPolarHBondContact O-CB 3.45Å; M683-K687 PolarHBondContact O-N 3.32Å; V684-K687 PolarHBondContact O-N 2.92Å; K687-N689 VanDerWaalsContact C-N 3.26Å |
| 688 | A | 66.5 | Low | 82.7 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V684 A685 I686 L690 | V684-A688 VanDerWaalsContact O-CB 3.24Å; V684-A688 WeakPolarHBondContact O-CB 3.46Å; V684-A688 PolarHBondContact O-N 2.72Å; A685-A688 PolarHBondContact O-N 3.3Å; I686-A688 PolarHBondContact O-N 2.99Å; A688-L690 HydrophobicContact CB-CD2 4.24Å; A688-L690 HydrophobicContact CB-CG 4.06Å; A688-L690 PolarHBondContact O-N 3.45Å |
| 689 | N | 71.8 | Confident | 82.8 | Confident | 140 Ų | 140 | 70.3 Ų | 70.3 | 75% | 0.749 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 40.2 | -175.4 | -72.3 | -38.9 | 0 | 0 | 0 | 112.8 | A685 I686 K687 | A685-N689 PolarHBondContact O-N 2.96Å; I686-N689 PolarHBondContact O-N 2.9Å; I686-N689 PolarHBondContact O-OD1 2.71Å; K687-N689 VanDerWaalsContact C-N 3.26Å |
| 690 | L | 77.4 | Confident | 82.7 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 38% | 0.377 | 39% | 0.394 | S | S | . | . | trans | -62.1 | 156 | 175.2 | -64.3 | -173 | 0 | 0 | 0 | 110.3 | A685 A688 I692 T694 Q695 | A685-L690 HydrophobicContact CB-CB 4.38Å; A685-L690 HydrophobicContact CB-CD1 3.79Å; A685-L690 HydrophobicContact CB-CG 4.32Å; A685-L690 PolarHBondContact O-N 2.75Å; A688-L690 HydrophobicContact CB-CD2 4.24Å; A688-L690 HydrophobicContact CB-CG 4.06Å; A688-L690 PolarHBondContact O-N 3.45Å; L690-I692 PolarHBondContact O-N 2.9Å; L690-T694 HydrophobicContact CD1-CG2 4.45Å; L690-Q695 PolarHBondContact O-NE2 3.15Å | ||
| 691 | P | 84.2 | Confident | 83 | Confident | 82 Ų | 82 | 75 Ų | 75 | 53% | 0.532 | 40% | 0.404 | S | S | . | . | trans | -49.2 | 137.5 | 177.7 | -27.2 | 35 | 0 | 0 | 0 | 111.9 | E693 T694 Q695 | P691-E693 PolarHBondContact O-N 2.86Å; P691-E693 VanDerWaalsContact O-N 3.1Å; P691-T694 WeakPolarHBondContact O-CA 3.47Å; P691-T694 WeakPolarHBondContact O-CB 3.43Å; P691-T694 PolarHBondContact O-N 3.46Å; P691-Q695 PolarHBondContact O-N 3Å; P691-Q695 VanDerWaalsContact O-N 3.15Å | ||
| 692 | I | 83.6 | Confident | 83.5 | Confident | 127 Ų | 127 | 70 Ų | 70 | 65% | 0.651 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -54.1 | -34.2 | -178.4 | -71.3 | 158.9 | 0 | 0 | 0 | 111.4 | L690 T694 Q695 A696 I756 | L690-I692 PolarHBondContact O-N 2.9Å; I692-T694 VanDerWaalsContact C-N 3.33Å; I692-T694 PolarHBondContact O-N 2.78Å; I692-Q695 PolarHBondContact O-N 3.11Å; I692-A696 VanDerWaalsContact O-CB 3.31Å; I692-A696 WeakPolarHBondContact O-CB 3.17Å; I692-A696 PolarHBondContact O-N 2.9Å; I692-I756 HydrophobicContact CG2-CD1 3.95Å |
| 693 | E | 86.8 | Confident | 83.9 | Confident | 164 Ų | 164 | 70.3 Ų | 70.3 | 77% | 0.766 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.3 | -42.1 | 174.3 | -62.7 | 173.6 | -173.3 | 0 | 0 | 112.5 | P691 Q697 | P691-E693 PolarHBondContact O-N 2.86Å; P691-E693 VanDerWaalsContact O-N 3.1Å; E693-Q697 WeakPolarHBondContact O-CB 3.33Å; E693-Q697 PolarHBondContact O-N 3.39Å |
| 694 | T | 84.6 | Confident | 84.4 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 33% | 0.331 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 177 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | L690 P691 I692 Q697 L698 | L690-T694 HydrophobicContact CD1-CG2 4.45Å; P691-T694 WeakPolarHBondContact O-CA 3.47Å; P691-T694 WeakPolarHBondContact O-CB 3.43Å; P691-T694 PolarHBondContact O-N 3.46Å; I692-T694 VanDerWaalsContact C-N 3.33Å; I692-T694 PolarHBondContact O-N 2.78Å; T694-Q697 PolarHBondContact O-N 3.21Å; T694-L698 WeakPolarHBondContact O-CG 3.42Å; T694-L698 PolarHBondContact O-N 3.49Å |
| 695 | Q | 87.2 | Confident | 85.4 | Confident | 19 Ų | 19 | 68 Ų | 68 | 9% | 0.089 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.9 | -61.1 | -177.1 | 24.2 | 0 | 0 | 111 | L682 A685 L690 P691 I692 Q697 L698 A699 I756 | L682-Q695 HydrophobicContact CD1-CB 4.11Å; L682-Q695 VanDerWaalsContact CD1-O 3.29Å; L682-Q695 WeakPolarHBondContact CD1-O 3.38Å; A685-Q695 HydrophobicContact CB-CG 4.14Å; L690-Q695 PolarHBondContact O-NE2 3.15Å; P691-Q695 PolarHBondContact O-N 3Å; P691-Q695 VanDerWaalsContact O-N 3.15Å; I692-Q695 PolarHBondContact O-N 3.11Å; Q695-Q697 PolarHBondContact O-N 2.89Å; Q695-L698 PolarHBondContact O-N 2.92Å; Q695-A699 PolarHBondContact O-N 3.08Å; Q695-I756 HydrophobicContact CB-CD1 3.74Å |
| 696 | A | 88 | Confident | 86.4 | Confident | 34 Ų | 34 | 68 Ų | 68 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I692 L698 A699 I700 | I692-A696 VanDerWaalsContact O-CB 3.31Å; I692-A696 WeakPolarHBondContact O-CB 3.17Å; I692-A696 PolarHBondContact O-N 2.9Å; A696-L698 VanDerWaalsContact C-N 3.34Å; A696-L698 PolarHBondContact O-N 3.42Å; A696-A699 PolarHBondContact O-N 3.32Å; A696-I700 WeakPolarHBondContact O-CB 3.33Å; A696-I700 VanDerWaalsContact O-CG1 3.26Å; A696-I700 WeakPolarHBondContact O-CG1 3.45Å; A696-I700 PolarHBondContact O-N 3.03Å |
| 697 | Q | 90.5 | Very high | 87.1 | Confident | 138 Ų | 138 | 66.9 Ų | 66.9 | 65% | 0.645 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.6 | -40.3 | 176.4 | -173.1 | 179.5 | 4 | 0 | 0 | 112.3 | E693 T694 Q695 S701 | E693-Q697 WeakPolarHBondContact O-CB 3.33Å; E693-Q697 PolarHBondContact O-N 3.39Å; T694-Q697 PolarHBondContact O-N 3.21Å; Q695-Q697 PolarHBondContact O-N 2.89Å; Q697-S701 VanDerWaalsContact O-CB 3.29Å; Q697-S701 WeakPolarHBondContact O-CB 3.23Å; Q697-S701 PolarHBondContact O-N 3.23Å |
| 698 | L | 89.4 | Confident | 88.4 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.3 | -72.4 | 171.2 | 0 | 0 | 0 | 112 | H681 L682 A685 T694 Q695 A696 S701 S702 | H681-L698 HydrophobicContact CB-CD2 4.44Å; L682-L698 HydrophobicContact CD1-CB 4.28Å; A685-L698 HydrophobicContact CB-CD1 3.61Å; T694-L698 WeakPolarHBondContact O-CG 3.42Å; T694-L698 PolarHBondContact O-N 3.49Å; Q695-L698 PolarHBondContact O-N 2.92Å; A696-L698 VanDerWaalsContact C-N 3.34Å; A696-L698 PolarHBondContact O-N 3.42Å; L698-S701 PolarHBondContact O-N 2.83Å; L698-S702 WeakPolarHBondContact O-CB 3.49Å; L698-S702 PolarHBondContact O-N 2.77Å; L698-S702 PolarHBondContact O-OG 2.93Å |
| 699 | A | 91.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L682 Q695 A696 S702 L703 | L682-A699 HydrophobicContact CD2-CB 4.01Å; Q695-A699 PolarHBondContact O-N 3.08Å; A696-A699 PolarHBondContact O-N 3.32Å; A699-S702 PolarHBondContact O-N 3.43Å; A699-L703 WeakPolarHBondContact O-CG 3.39Å; A699-L703 PolarHBondContact O-N 3.24Å |
| 700 | I | 92.1 | Very high | 90.8 | Very high | 73 Ų | 73 | 57.4 Ų | 57.4 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 177.2 | -67.9 | 165.5 | 0 | 0 | 0 | 110.8 | A696 S702 L703 D704 | A696-I700 WeakPolarHBondContact O-CB 3.33Å; A696-I700 VanDerWaalsContact O-CG1 3.26Å; A696-I700 WeakPolarHBondContact O-CG1 3.45Å; A696-I700 PolarHBondContact O-N 3.03Å; I700-S702 VanDerWaalsContact C-N 3.28Å; I700-S702 PolarHBondContact O-N 2.83Å; I700-L703 PolarHBondContact O-N 2.72Å; I700-D704 WeakPolarHBondContact CG2-OD2 3.26Å; I700-D704 WeakPolarHBondContact O-CB 3.48Å; I700-D704 PolarHBondContact O-N 2.75Å |
| 701 | S | 92.4 | Very high | 91.5 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 49% | 0.49 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 177.5 | -173 | 0 | 0 | 0 | 0 | 112.1 | Q697 L698 D704 E705 | Q697-S701 VanDerWaalsContact O-CB 3.29Å; Q697-S701 WeakPolarHBondContact O-CB 3.23Å; Q697-S701 PolarHBondContact O-N 3.23Å; L698-S701 PolarHBondContact O-N 2.83Å; S701-D704 PolarHBondContact O-N 2.91Å; S701-E705 WeakPolarHBondContact O-CB 3.3Å; S701-E705 PolarHBondContact O-N 2.88Å |
| 702 | S | 95.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 178.3 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | G678 L698 A699 I700 F706 | G678-S702 VanDerWaalsContact CA-OG 3.3Å; G678-S702 WeakPolarHBondContact CA-OG 3.27Å; L698-S702 WeakPolarHBondContact O-CB 3.49Å; L698-S702 PolarHBondContact O-N 2.77Å; L698-S702 PolarHBondContact O-OG 2.93Å; A699-S702 PolarHBondContact O-N 3.43Å; I700-S702 VanDerWaalsContact C-N 3.28Å; I700-S702 PolarHBondContact O-N 2.83Å; S702-F706 WeakPolarHBondContact O-CB 3.16Å; S702-F706 PolarHBondContact O-N 2.85Å |
| 703 | L | 95.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -42.6 | 174.1 | -73 | 168 | 0 | 0 | 0 | 111.7 | A699 I700 F706 I707 A746 T749 R750 L763 Y766 | A699-L703 WeakPolarHBondContact O-CG 3.39Å; A699-L703 PolarHBondContact O-N 3.24Å; I700-L703 PolarHBondContact O-N 2.72Å; L703-F706 PolarHBondContact O-N 2.88Å; L703-I707 WeakPolarHBondContact O-CB 3.28Å; L703-I707 WeakPolarHBondContact O-CD1 2.84Å; L703-I707 WeakPolarHBondContact O-CG1 2.87Å; L703-I707 PolarHBondContact O-N 2.85Å; L703-A746 HydrophobicContact CD2-CB 4.45Å; L703-T749 HydrophobicContact CD1-CG2 4.34Å; L703-T749 HydrophobicContact CD2-CG2 4.32Å; L703-R750 HydrophobicContact CD1-CB 4.02Å; L703-R750 HydrophobicContact CD1-CG 4.39Å; L703-L763 HydrophobicContact CD2-CD2 3.74Å; L703-L763 HydrophobicContact CD2-CG 4.42Å; L703-L763 HydrophobicContact CG-CD2 4.09Å; L703-Y766 HydrophobicContact CD2-CE2 4.1Å |
| 704 | D | 95.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 177.9 | -79.2 | -27.1 | 0 | 0 | 0 | 111.4 | I700 S701 I707 M708 R750 | I700-D704 WeakPolarHBondContact CG2-OD2 3.26Å; I700-D704 WeakPolarHBondContact O-CB 3.48Å; I700-D704 PolarHBondContact O-N 2.75Å; S701-D704 PolarHBondContact O-N 2.91Å; D704-I707 PolarHBondContact O-N 3.24Å; D704-M708 WeakPolarHBondContact O-CG 3.1Å; D704-M708 PolarHBondContact O-N 2.76Å; D704-R750 WeakPolarHBondContact OD1-CD 3.4Å; D704-R750 IonicContact OD1-CZ 3.88Å; D704-R750 IonicContact OD1-NE 3.83Å; D704-R750 PolarHBondContact OD1-NE 2.95Å; D704-R750 IonicContact OD1-NH2 2.92Å; D704-R750 PolarHBondContact OD1-NH2 2.86Å; D704-R750 IonicContact OD2-CZ 2.71Å; D704-R750 IonicContact OD2-NE 2.72Å; D704-R750 PolarHBondContact OD2-NE 3.21Å; D704-R750 IonicContact OD2-NH2 3.67Å; D704-R750 PolarHBondContact OD2-NH2 3.22Å |
| 705 | E | 96 | Very high | 93 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 173.6 | -171.5 | 172.8 | -143.1 | 0 | 0 | 110.9 | H674 S701 I707 M708 D709 | H674-E705 IonicContact ND1-OE1 3.48Å; S701-E705 WeakPolarHBondContact O-CB 3.3Å; S701-E705 PolarHBondContact O-N 2.88Å; E705-I707 PolarHBondContact O-N 2.77Å; E705-M708 WeakPolarHBondContact O-CB 3.5Å; E705-M708 PolarHBondContact O-N 2.84Å; E705-D709 WeakPolarHBondContact O-CB 3.47Å; E705-D709 PolarHBondContact O-N 3.03Å |
| 706 | F | 97.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -39 | 177.9 | -178.3 | -118.9 | 0 | 0 | 0 | 113.7 | I671 L675 S702 L703 M708 D709 C710 L742 A746 Y766 I770 | I671-F706 HydrophobicContact CG2-CD2 3.6Å; I671-F706 HydrophobicContact CG2-CE2 3.54Å; L675-F706 HydrophobicContact CD1-CD2 3.56Å; L675-F706 HydrophobicContact CD1-CE2 3.61Å; L675-F706 HydrophobicContact CD1-CG 4.26Å; L675-F706 HydrophobicContact CD1-CZ 4.33Å; L675-F706 HydrophobicContact CD2-CB 3.82Å; L675-F706 HydrophobicContact CD2-CD2 3.87Å; L675-F706 HydrophobicContact CD2-CG 3.82Å; L675-F706 HydrophobicContact CG-CB 4.46Å; L675-F706 HydrophobicContact CG-CD2 3.76Å; L675-F706 HydrophobicContact CG-CE2 4.32Å; L675-F706 HydrophobicContact CG-CG 4.24Å; S702-F706 WeakPolarHBondContact O-CB 3.16Å; S702-F706 PolarHBondContact O-N 2.85Å; L703-F706 PolarHBondContact O-N 2.88Å; F706-M708 VanDerWaalsContact C-N 3.32Å; F706-D709 WeakPolarHBondContact O-CB 3.49Å; F706-D709 PolarHBondContact O-N 2.97Å; F706-C710 PolarHBondContact O-N 2.85Å; F706-C710 PolarHBondContact O-SG 2.88Å; F706-L742 HydrophobicContact CE1-CB 4.26Å; F706-L742 HydrophobicContact CZ-CB 4.05Å; F706-L742 HydrophobicContact CZ-CD1 4.39Å; F706-A746 HydrophobicContact CD1-CB 3.72Å; F706-A746 HydrophobicContact CE1-CB 3.98Å; F706-Y766 AromaticContact CD1-CD2 3.98Å; F706-Y766 HydrophobicContact CD1-CD2 3.98Å; F706-Y766 HydrophobicContact CD1-CG 4.39Å; F706-Y766 HydrophobicContact CE1-CD1 4.4Å; F706-Y766 AromaticContact CE1-CD2 3.74Å; F706-Y766 HydrophobicContact CE1-CD2 3.74Å; F706-Y766 HydrophobicContact CE1-CE2 4.45Å; F706-Y766 AromaticContact CE1-CG 3.72Å; F706-Y766 HydrophobicContact CE1-CG 3.72Å; F706-Y766 HydrophobicContact CZ-CG 4.19Å; F706-I770 HydrophobicContact CE2-CD1 4.11Å; F706-I770 HydrophobicContact CE2-CG1 3.92Å; F706-I770 HydrophobicContact CZ-CD1 4.35Å; F706-I770 HydrophobicContact CZ-CG1 4.25Å |
| 707 | I | 95.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 56 Ų | 56 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.7 | -70.4 | 161.5 | 0 | 0 | 0 | 110.3 | L703 D704 E705 N711 R743 A746 I747 | L703-I707 WeakPolarHBondContact O-CB 3.28Å; L703-I707 WeakPolarHBondContact O-CD1 2.84Å; L703-I707 WeakPolarHBondContact O-CG1 2.87Å; L703-I707 PolarHBondContact O-N 2.85Å; D704-I707 PolarHBondContact O-N 3.24Å; E705-I707 PolarHBondContact O-N 2.77Å; I707-N711 PolarHBondContact O-ND2 2.87Å; I707-R743 HydrophobicContact CG2-CG 4.36Å; I707-A746 HydrophobicContact CD1-CB 4.3Å; I707-A746 HydrophobicContact CG1-CB 3.72Å; I707-I747 HydrophobicContact CD1-CG1 3.87Å; I707-I747 HydrophobicContact CG1-CG1 4.13Å; I707-I747 HydrophobicContact CG2-CD1 4.48Å; I707-I747 HydrophobicContact CG2-CG1 4.18Å |
| 708 | M | 95.1 | Very high | 93.4 | Very high | 130 Ų | 130 | 54.4 Ų | 54.4 | 64% | 0.64 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.5 | -48.6 | 175.4 | -71.5 | -178.1 | 69.3 | 0 | 0 | 111.1 | D704 E705 F706 C710 N711 H712 | D704-M708 WeakPolarHBondContact O-CG 3.1Å; D704-M708 PolarHBondContact O-N 2.76Å; E705-M708 WeakPolarHBondContact O-CB 3.5Å; E705-M708 PolarHBondContact O-N 2.84Å; F706-M708 VanDerWaalsContact C-N 3.32Å; M708-C710 VanDerWaalsContact C-N 3.28Å; M708-C710 PolarHBondContact O-N 2.8Å; M708-N711 WeakPolarHBondContact O-CB 3.49Å; M708-N711 PolarHBondContact O-N 2.74Å; M708-H712 PolarHBondContact O-CD2 2.82Å |
| 709 | D | 94.3 | Very high | 93.2 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.08 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.5 | -41.7 | 176.8 | -86.8 | -4.5 | 0 | 0 | 0 | 112.3 | I671 H674 E705 F706 N711 H712 | I671-D709 HydrophobicContact CB-CB 4.39Å; I671-D709 HydrophobicContact CD1-CB 4.13Å; I671-D709 HydrophobicContact CG1-CB 3.81Å; I671-D709 HydrophobicContact CG2-CB 3.98Å; H674-D709 IonicContact CE1-OD1 2.68Å; H674-D709 IonicContact CE1-OD2 3.34Å; H674-D709 IonicContact CG-OD2 3.38Å; H674-D709 IonicContact ND1-OD1 3.78Å; H674-D709 PolarHBondContact ND1-OD1 3.1Å; H674-D709 IonicContact ND1-OD2 2.91Å; H674-D709 PolarHBondContact ND1-OD2 2.91Å; E705-D709 WeakPolarHBondContact O-CB 3.47Å; E705-D709 PolarHBondContact O-N 3.03Å; F706-D709 WeakPolarHBondContact O-CB 3.49Å; F706-D709 PolarHBondContact O-N 2.97Å; D709-N711 PolarHBondContact O-N 3.42Å; D709-H712 WeakPolarHBondContact O-CB 3.15Å; D709-H712 PolarHBondContact O-CD2 2.95Å; D709-H712 PolarHBondContact O-N 3.12Å; D709-H712 VanDerWaalsContact O-N 3.15Å |
| 710 | C | 93.8 | Very high | 93 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.034 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.9 | 176.9 | -68.4 | 0 | 0 | 0 | 0 | 114.4 | F706 M708 R743 | F706-C710 PolarHBondContact O-N 2.85Å; F706-C710 PolarHBondContact O-SG 2.88Å; M708-C710 VanDerWaalsContact C-N 3.28Å; M708-C710 PolarHBondContact O-N 2.8Å; C710-R743 HydrophobicContact CB-CB 3.83Å; C710-R743 HydrophobicContact CB-CG 4.24Å |
| 711 | N | 92.7 | Very high | 92.9 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -6.4 | 176 | -61.8 | -60 | 0 | 0 | 0 | 113.4 | I707 M708 D709 T713 R743 | I707-N711 PolarHBondContact O-ND2 2.87Å; M708-N711 WeakPolarHBondContact O-CB 3.49Å; M708-N711 PolarHBondContact O-N 2.74Å; D709-N711 PolarHBondContact O-N 3.42Å; N711-T713 PolarHBondContact O-N 2.72Å; N711-R743 WeakPolarHBondContact OD1-CD 3.46Å; N711-R743 PolarHBondContact OD1-NE 3.3Å |
| 712 | H | 91.7 | Very high | 92.9 | Very high | 66 Ų | 66 | 54.6 Ų | 54.6 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -65.9 | 132.5 | 175.3 | -74.4 | -102.7 | 0 | 0 | 0 | 110 | L667 M708 D709 D812 | L667-H712 HydrophobicContact CD1-CB 3.79Å; L667-H712 HydrophobicContact CD2-CB 3.93Å; M708-H712 PolarHBondContact O-CD2 2.82Å; D709-H712 WeakPolarHBondContact O-CB 3.15Å; D709-H712 PolarHBondContact O-CD2 2.95Å; D709-H712 PolarHBondContact O-N 3.12Å; D709-H712 VanDerWaalsContact O-N 3.15Å; H712-D812 IonicContact CE1-OD1 3.16Å; H712-D812 IonicContact CE1-OD2 3.9Å; H712-D812 PolarHBondContact CE1-OD2 2.83Å; H712-D812 IonicContact CG-OD2 2.73Å; H712-D812 IonicContact ND1-OD1 2.82Å; H712-D812 IonicContact ND1-OD2 3.17Å; H712-D812 PolarHBondContact ND1-OD2 2.94Å |
| 713 | T | 92.3 | Very high | 92.6 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 61% | 0.613 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 141.1 | -178.8 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | N711 Y813 | N711-T713 PolarHBondContact O-N 2.72Å; T713-Y813 WeakPolarHBondContact O-CE1 3.44Å; T713-Y813 PolarHBondContact O-OH 2.78Å |
| 714 | L | 94 | Very high | 92.4 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 149.2 | 170.9 | -63.6 | 179.1 | 0 | 0 | 0 | 110.1 | A664 L667 Q716 R732 R735 E736 L739 | A664-L714 HydrophobicContact CB-CD2 4.16Å; L667-L714 HydrophobicContact CD2-CD2 4.16Å; L714-Q716 PolarHBondContact O-N 2.84Å; L714-R732 HydrophobicContact CD1-CG 4.18Å; L714-R735 HydrophobicContact CD1-CB 3.62Å; L714-E736 HydrophobicContact CD1-CG 3.75Å; L714-E736 HydrophobicContact CG-CG 4.38Å; L714-L739 HydrophobicContact CD2-CD1 4.3Å |
| 715 | P | 92.7 | Very high | 92.2 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.071 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 137.9 | 175 | -23.6 | 29.5 | 0 | 0 | 0 | 112.8 | F660 A664 Y813 | F660-P715 HydrophobicContact CB-CB 4.27Å; A664-P715 HydrophobicContact CB-CG 4.44Å; P715-Y813 HydrophobicContact CB-CD2 4.27Å; P715-Y813 HydrophobicContact CB-CE2 4.08Å; P715-Y813 HydrophobicContact CG-CD1 3.67Å; P715-Y813 HydrophobicContact CG-CD2 3.9Å; P715-Y813 HydrophobicContact CG-CE1 3.69Å; P715-Y813 HydrophobicContact CG-CE2 3.92Å; P715-Y813 HydrophobicContact CG-CG 3.81Å |
| 716 | Q | 90.9 | Very high | 92 | Very high | 147 Ų | 147 | 59 Ų | 59 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 148.2 | 175 | -65.3 | -173 | 4.4 | 0 | 0 | 110.7 | L714 | L714-Q716 PolarHBondContact O-N 2.84Š|
| 717 | W | 92.2 | Very high | 91.7 | Very high | 105 Ų | 105 | 59 Ų | 59 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 135.9 | 171.5 | 173.1 | 85.6 | 0 | 0 | 0 | 110.4 | I722 Q724 | W717-I722 PolarHBondContact NE1-O 3.44Å; W717-Q724 HydrophobicContact CG-CB 4.32Å |
| 718 | E | 89.7 | Confident | 91.6 | Very high | 104 Ų | 104 | 58.2 Ų | 58.2 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | trans | -115.7 | 152.5 | 177.4 | -59.7 | -173.1 | 166.1 | 0 | 0 | 112.1 | E720 N721 | E718-E720 PolarHBondContact O-N 2.78Å; E718-N721 WeakPolarHBondContact CA-OD1 3.29Å; E718-N721 WeakPolarHBondContact CB-OD1 3.16Å; E718-N721 PolarHBondContact N-OD1 3.19Å; E718-N721 WeakPolarHBondContact O-CB 3.3Å; E718-N721 PolarHBondContact O-N 3.21Å; E718-N721 PolarHBondContact O-OD1 3.32Å | ||
| 719 | P | 86.5 | Confident | 91.5 | Very high | 105 Ų | 105 | 56.2 Ų | 56.2 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.7 | 179.2 | -24.1 | 34.1 | 0 | 0 | 0 | 115.5 | ||
| 720 | E | 86.1 | Confident | 91.2 | Very high | 83 Ų | 83 | 57.9 Ų | 57.9 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -24.9 | 175.4 | -60.9 | -170.7 | 166 | 0 | 0 | 112.9 | R579 E718 | R579-E720 IonicContact CZ-OE2 3.06Å; R579-E720 IonicContact NH1-OE2 2.86Å; R579-E720 PolarHBondContact NH1-OE2 3.37Å; R579-E720 IonicContact NH2-OE2 3.02Å; R579-E720 PolarHBondContact NH2-OE2 2.71Å; E718-E720 PolarHBondContact O-N 2.78Å |
| 721 | N | 90.5 | Very high | 91 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -69.9 | 169.3 | 177.3 | -56 | 134.2 | 0 | 0 | 0 | 111.2 | D657 S659 F660 E718 | D657-N721 WeakPolarHBondContact O-CB 3.4Å; D657-N721 PolarHBondContact OD1-ND2 3.23Å; D657-N721 PolarHBondContact OD2-ND2 3.09Å; S659-N721 PolarHBondContact OG-ND2 3.07Å; F660-N721 HydrophobicContact CD1-CB 4.15Å; F660-N721 HydrophobicContact CE1-CB 4.42Å; E718-N721 WeakPolarHBondContact CA-OD1 3.29Å; E718-N721 WeakPolarHBondContact CB-OD1 3.16Å; E718-N721 PolarHBondContact N-OD1 3.19Å; E718-N721 WeakPolarHBondContact O-CB 3.3Å; E718-N721 PolarHBondContact O-N 3.21Å; E718-N721 PolarHBondContact O-OD1 3.32Å |
| 722 | I | 91.6 | Very high | 91 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -62 | 152.6 | 166.9 | 59.1 | 166.4 | 0 | 0 | 0 | 111.1 | E656 D657 I658 F660 W717 Q724 | E656-I722 HydrophobicContact CB-CG2 3.6Å; D657-I722 PolarHBondContact O-N 3.07Å; I658-I722 HydrophobicContact CG2-CD1 3.45Å; I658-I722 VanDerWaalsContact CG2-CD1 3.45Å; I658-I722 HydrophobicContact CG2-CG1 3.91Å; F660-I722 HydrophobicContact CE1-CG1 4.33Å; W717-I722 PolarHBondContact NE1-O 3.44Å; I722-Q724 PolarHBondContact O-N 3.46Å |
| 723 | P | 90.3 | Very high | 90.8 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 31% | 0.305 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 132.5 | 176.3 | -23.3 | 33.3 | 0 | 0 | 0 | 111.5 | K574 N725 | K574-P723 HydrophobicContact CB-CG 3.7Å; P723-N725 PolarHBondContact O-N 3.27Å |
| 724 | Q | 90.6 | Very high | 90.5 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 127.6 | 173.6 | -168.2 | -180 | 13 | 0 | 0 | 109.7 | W717 I722 D728 I729 | W717-Q724 HydrophobicContact CG-CB 4.32Å; I722-Q724 PolarHBondContact O-N 3.46Å; Q724-D728 HydrophobicContact CG-CB 3.5Å; Q724-D728 VanDerWaalsContact CG-CB 3.5Å; Q724-I729 HydrophobicContact CG-CG1 3.97Å |
| 725 | N | 92.2 | Very high | 90.4 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | trans | -97.7 | 176 | 176.6 | 70.6 | 31.3 | 0 | 0 | 0 | 111.9 | G507 P508 R661 P723 M727 D728 I729 Q778 | G507-N725 VanDerWaalsContact C-ND2 3.34Å; G507-N725 WeakPolarHBondContact O-CB 3.45Å; G507-N725 PolarHBondContact O-ND2 3.01Å; P508-N725 PolarHBondContact O-ND2 3.46Å; R661-N725 PolarHBondContact NH2-ND2 3.44Å; P723-N725 PolarHBondContact O-N 3.27Å; N725-M727 VanDerWaalsContact C-N 3.32Å; N725-M727 PolarHBondContact O-N 2.89Å; N725-M727 WeakPolarHBondContact OD1-CB 3.44Å; N725-M727 PolarHBondContact OD1-N 2.93Å; N725-D728 PolarHBondContact N-OD2 3.13Å; N725-D728 WeakPolarHBondContact O-CB 3.32Å; N725-D728 PolarHBondContact O-N 2.99Å; N725-D728 PolarHBondContact OD1-N 3.42Å; N725-D728 PolarHBondContact OD1-OD2 3.38Å; N725-D728 VanDerWaalsContact OD1-OD2 3.07Å; N725-I729 WeakPolarHBondContact O-CG1 3.41Å; N725-I729 PolarHBondContact O-N 3.36Å; N725-Q778 PolarHBondContact ND2-OE1 2.92Å; N725-Q778 PolarHBondContact OD1-NE2 3.45Å; N725-Q778 PolarHBondContact OD1-OE1 3.35Å | ||
| 726 | E | 91.1 | Very high | 90.3 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | -176.1 | -170.6 | 179.8 | 156.5 | 0 | 0 | 112 | T505 D728 I729 H730 | T505-E726 HydrophobicContact CG2-CB 3.94Å; T505-E726 HydrophobicContact CG2-CG 4.04Å; E726-D728 VanDerWaalsContact C-N 3.33Å; E726-D728 PolarHBondContact O-N 2.9Å; E726-I729 PolarHBondContact O-N 3.44Å; E726-H730 PolarHBondContact O-N 2.86Å; E726-H730 VanDerWaalsContact O-N 3.07Å; E726-H730 IonicContact OE1-CE1 2.69Å; E726-H730 PolarHBondContact OE1-CE1 2.96Å |
| 727 | M | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 176.8 | -177.8 | 56.8 | 176.8 | 0 | 0 | 112.2 | Q468 I469 F502 T505 N725 I729 H730 L731 P777 Q778 | Q468-M727 WeakPolarHBondContact O-CE 3.36Å; I469-M727 HydrophobicContact CB-CE 4.17Å; I469-M727 HydrophobicContact CG2-CE 4.16Å; F502-M727 HydrophobicContact CD2-SD 4.43Å; F502-M727 HydrophobicContact CE2-CE 4.12Å; F502-M727 HydrophobicContact CE2-SD 3.52Å; F502-M727 VanDerWaalsContact CE2-SD 3.52Å; F502-M727 HydrophobicContact CZ-CE 4.26Å; F502-M727 HydrophobicContact CZ-SD 4.03Å; T505-M727 HydrophobicContact CG2-CB 4.49Å; T505-M727 VanDerWaalsContact O-SD 3.35Å; N725-M727 VanDerWaalsContact C-N 3.32Å; N725-M727 PolarHBondContact O-N 2.89Å; N725-M727 WeakPolarHBondContact OD1-CB 3.44Å; N725-M727 PolarHBondContact OD1-N 2.93Å; M727-I729 VanDerWaalsContact C-N 3.33Å; M727-I729 PolarHBondContact O-N 3.33Å; M727-H730 PolarHBondContact O-N 2.87Å; M727-L731 HydrophobicContact CE-CD1 3.69Å; M727-L731 HydrophobicContact CE-CD2 3.63Å; M727-L731 HydrophobicContact CE-CG 3.48Å; M727-L731 VanDerWaalsContact CE-CG 3.48Å; M727-L731 HydrophobicContact CG-CD1 4.23Å; M727-L731 HydrophobicContact CG-CG 4.34Å; M727-L731 WeakPolarHBondContact O-CB 3.42Å; M727-L731 WeakPolarHBondContact O-CG 3.49Å; M727-L731 PolarHBondContact O-N 2.95Å; M727-L731 HydrophobicContact SD-CD1 4.47Å; M727-L731 HydrophobicContact SD-CG 4.04Å; M727-P777 HydrophobicContact CE-CG 3.69Å; M727-Q778 HydrophobicContact CG-CG 4.2Å |
| 728 | D | 94.2 | Very high | 89.8 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.032 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 175.2 | -65.9 | -41.3 | 0 | 0 | 0 | 112.1 | F660 R661 Q724 N725 E726 R732 Q778 | F660-D728 HydrophobicContact CE2-CB 3.98Å; F660-D728 HydrophobicContact CZ-CB 4.36Å; F660-D728 WeakPolarHBondContact CZ-OD2 3.05Å; R661-D728 IonicContact CZ-OD1 2.77Å; R661-D728 IonicContact CZ-OD2 2.89Å; R661-D728 IonicContact NE-OD1 3.09Å; R661-D728 PolarHBondContact NE-OD1 2.93Å; R661-D728 IonicContact NE-OD2 3.56Å; R661-D728 IonicContact NH2-OD1 2.66Å; R661-D728 PolarHBondContact NH2-OD1 3.38Å; R661-D728 IonicContact NH2-OD2 2.93Å; R661-D728 PolarHBondContact NH2-OD2 2.84Å; Q724-D728 HydrophobicContact CG-CB 3.5Å; Q724-D728 VanDerWaalsContact CG-CB 3.5Å; N725-D728 PolarHBondContact N-OD2 3.13Å; N725-D728 WeakPolarHBondContact O-CB 3.32Å; N725-D728 PolarHBondContact O-N 2.99Å; N725-D728 PolarHBondContact OD1-N 3.42Å; N725-D728 PolarHBondContact OD1-OD2 3.38Å; N725-D728 VanDerWaalsContact OD1-OD2 3.07Å; E726-D728 VanDerWaalsContact C-N 3.33Å; E726-D728 PolarHBondContact O-N 2.9Å; D728-R732 VanDerWaalsContact O-CB 3.22Å; D728-R732 WeakPolarHBondContact O-CB 3.18Å; D728-R732 PolarHBondContact O-N 2.97Å; D728-Q778 PolarHBondContact OD1-NE2 3.15Å |
| 729 | I | 92 | Very high | 89.9 | Confident | 88 Ų | 88 | 45.9 Ų | 45.9 | 45% | 0.451 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 177.7 | -62.9 | 167.1 | 0 | 0 | 0 | 109.6 | Q724 N725 E726 M727 K733 | Q724-I729 HydrophobicContact CG-CG1 3.97Å; N725-I729 WeakPolarHBondContact O-CG1 3.41Å; N725-I729 PolarHBondContact O-N 3.36Å; E726-I729 PolarHBondContact O-N 3.44Å; M727-I729 VanDerWaalsContact C-N 3.33Å; M727-I729 PolarHBondContact O-N 3.33Å; I729-K733 WeakPolarHBondContact O-CB 3.26Å; I729-K733 PolarHBondContact O-N 3.18Å; I729-K733 VanDerWaalsContact O-N 3.12Å |
| 730 | H | 88.5 | Confident | 90.1 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -47.8 | -179.8 | -68.8 | 166.2 | 0 | 0 | 0 | 112.9 | F502 E726 M727 R732 K733 L734 | F502-H730 HydrophobicContact CB-CB 4.44Å; F502-H730 VanDerWaalsContact CB-CE1 3.43Å; F502-H730 WeakPolarHBondContact CB-CE1 3.14Å; F502-H730 WeakPolarHBondContact CB-ND1 3.23Å; F502-H730 HydrophobicContact CD1-CB 3.61Å; F502-H730 AromaticContact CD1-CG 3.87Å; F502-H730 HydrophobicContact CD2-CB 3.98Å; F502-H730 AromaticContact CD2-CG 3.99Å; F502-H730 AromaticContact CD2-ND1 3.43Å; F502-H730 WeakPolarHBondContact CD2-ND1 3.09Å; F502-H730 HydrophobicContact CE1-CB 3.7Å; F502-H730 HydrophobicContact CE2-CB 4.05Å; F502-H730 HydrophobicContact CG-CB 3.76Å; F502-H730 AromaticContact CG-CG 3.62Å; F502-H730 AromaticContact CG-ND1 3.3Å; F502-H730 VanDerWaalsContact CG-ND1 3.3Å; F502-H730 WeakPolarHBondContact CG-ND1 3.45Å; F502-H730 HydrophobicContact CZ-CB 3.93Å; E726-H730 PolarHBondContact O-N 2.86Å; E726-H730 VanDerWaalsContact O-N 3.07Å; E726-H730 IonicContact OE1-CE1 2.69Å; E726-H730 PolarHBondContact OE1-CE1 2.96Å; M727-H730 PolarHBondContact O-N 2.87Å; H730-R732 PolarHBondContact O-N 3.24Å; H730-K733 PolarHBondContact O-N 3.4Å; H730-L734 WeakPolarHBondContact O-CB 3.23Å; H730-L734 PolarHBondContact O-N 3.35Å |
| 731 | L | 89.5 | Confident | 90.1 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.4 | -79.3 | -179.9 | 0 | 0 | 0 | 112.4 | M727 L734 R735 P777 | M727-L731 HydrophobicContact CE-CD1 3.69Å; M727-L731 HydrophobicContact CE-CD2 3.63Å; M727-L731 HydrophobicContact CE-CG 3.48Å; M727-L731 VanDerWaalsContact CE-CG 3.48Å; M727-L731 HydrophobicContact CG-CD1 4.23Å; M727-L731 HydrophobicContact CG-CG 4.34Å; M727-L731 WeakPolarHBondContact O-CB 3.42Å; M727-L731 WeakPolarHBondContact O-CG 3.49Å; M727-L731 PolarHBondContact O-N 2.95Å; M727-L731 HydrophobicContact SD-CD1 4.47Å; M727-L731 HydrophobicContact SD-CG 4.04Å; L731-L734 PolarHBondContact O-N 3.42Å; L731-R735 WeakPolarHBondContact O-CB 3.26Å; L731-R735 WeakPolarHBondContact O-CG 3.33Å; L731-R735 PolarHBondContact O-N 3.47Å; L731-P777 HydrophobicContact CD1-CG 4.39Å |
| 732 | R | 91.6 | Very high | 90.1 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 32% | 0.317 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -49.2 | 178 | -175.2 | 177.2 | -176.2 | -70.5 | -13.2 | 110.6 | L714 D728 H730 L734 R735 E736 | L714-R732 HydrophobicContact CD1-CG 4.18Å; D728-R732 VanDerWaalsContact O-CB 3.22Å; D728-R732 WeakPolarHBondContact O-CB 3.18Å; D728-R732 PolarHBondContact O-N 2.97Å; H730-R732 PolarHBondContact O-N 3.24Å; R732-L734 PolarHBondContact O-N 2.85Å; R732-R735 PolarHBondContact O-N 2.9Å; R732-E736 IonicContact CZ-OE1 3.29Å; R732-E736 IonicContact CZ-OE2 2.84Å; R732-E736 IonicContact NE-OE1 2.67Å; R732-E736 VanDerWaalsContact NH1-CD 3.32Å; R732-E736 IonicContact NH1-OE1 3.14Å; R732-E736 PolarHBondContact NH1-OE1 3.39Å; R732-E736 IonicContact NH1-OE2 3.33Å; R732-E736 PolarHBondContact NH1-OE2 2.97Å; R732-E736 IonicContact NH2-OE1 3.39Å; R732-E736 PolarHBondContact NH2-OE1 3.15Å; R732-E736 WeakPolarHBondContact O-CG 3.29Å; R732-E736 PolarHBondContact O-N 3.31Å |
| 733 | K | 88.7 | Confident | 90.2 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61 | -44.4 | 177.5 | -173.9 | 177 | 175.6 | -173.7 | 0 | 111.7 | N500 I729 H730 R735 E736 D737 | N500-K733 WeakPolarHBondContact OD1-CE 3.42Å; N500-K733 PolarHBondContact OD1-NZ 3.12Å; I729-K733 WeakPolarHBondContact O-CB 3.26Å; I729-K733 PolarHBondContact O-N 3.18Å; I729-K733 VanDerWaalsContact O-N 3.12Å; H730-K733 PolarHBondContact O-N 3.4Å; K733-R735 PolarHBondContact O-N 3.11Å; K733-E736 PolarHBondContact O-N 3.18Å; K733-D737 WeakPolarHBondContact O-CB 3.3Å; K733-D737 VanDerWaalsContact O-CG 3.28Å; K733-D737 PolarHBondContact O-N 3.37Å |
| 734 | L | 86.4 | Confident | 90.2 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 176.7 | 178.6 | 66.3 | 0 | 0 | 0 | 111.8 | H730 L731 R732 Q738 | H730-L734 WeakPolarHBondContact O-CB 3.23Å; H730-L734 PolarHBondContact O-N 3.35Å; L731-L734 PolarHBondContact O-N 3.42Å; R732-L734 PolarHBondContact O-N 2.85Å; L734-Q738 HydrophobicContact CD1-CG 4.07Å; L734-Q738 WeakPolarHBondContact O-CB 3.44Å; L734-Q738 VanDerWaalsContact O-CG 3.23Å; L734-Q738 WeakPolarHBondContact O-CG 3.28Å; L734-Q738 PolarHBondContact O-N 2.96Å |
| 735 | R | 91.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 4% | 0.038 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 179.1 | -73.4 | 171.5 | 175 | 150.5 | 6.1 | 111.4 | L668 L714 L731 R732 K733 Q738 L739 L773 I775 E776 | L668-R735 HydrophobicContact CD1-CG 4.14Å; L714-R735 HydrophobicContact CD1-CB 3.62Å; L731-R735 WeakPolarHBondContact O-CB 3.26Å; L731-R735 WeakPolarHBondContact O-CG 3.33Å; L731-R735 PolarHBondContact O-N 3.47Å; R732-R735 PolarHBondContact O-N 2.9Å; K733-R735 PolarHBondContact O-N 3.11Å; R735-Q738 PolarHBondContact O-N 3.39Å; R735-L739 WeakPolarHBondContact O-CB 3.47Å; R735-L739 VanDerWaalsContact O-CG 3.27Å; R735-L739 WeakPolarHBondContact O-CG 3.48Å; R735-L739 PolarHBondContact O-N 2.82Å; R735-L773 PolarHBondContact NE-O 3.04Å; R735-L773 VanDerWaalsContact NE-O 3.09Å; R735-I775 PolarHBondContact NH2-O 2.95Å; R735-E776 IonicContact CZ-OE2 3.7Å; R735-E776 IonicContact NH1-OE2 2.88Å; R735-E776 PolarHBondContact NH1-OE2 2.71Å; R735-E776 VanDerWaalsContact NH1-OE2 3.09Å; R735-E776 IonicContact NH2-OE2 3.15Å; R735-E776 PolarHBondContact NH2-OE2 3.47Å |
| 736 | E | 91.5 | Very high | 90.1 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 176.8 | -72.1 | 177 | 150.8 | 0 | 0 | 111.8 | L714 R732 K733 Q738 L739 N740 | L714-E736 HydrophobicContact CD1-CG 3.75Å; L714-E736 HydrophobicContact CG-CG 4.38Å; R732-E736 IonicContact CZ-OE1 3.29Å; R732-E736 IonicContact CZ-OE2 2.84Å; R732-E736 IonicContact NE-OE1 2.67Å; R732-E736 VanDerWaalsContact NH1-CD 3.32Å; R732-E736 IonicContact NH1-OE1 3.14Å; R732-E736 PolarHBondContact NH1-OE1 3.39Å; R732-E736 IonicContact NH1-OE2 3.33Å; R732-E736 PolarHBondContact NH1-OE2 2.97Å; R732-E736 IonicContact NH2-OE1 3.39Å; R732-E736 PolarHBondContact NH2-OE1 3.15Å; R732-E736 WeakPolarHBondContact O-CG 3.29Å; R732-E736 PolarHBondContact O-N 3.31Å; K733-E736 PolarHBondContact O-N 3.18Å; E736-Q738 PolarHBondContact O-N 3.04Å; E736-L739 PolarHBondContact O-N 2.77Å; E736-N740 WeakPolarHBondContact O-CB 3.4Å; E736-N740 VanDerWaalsContact O-CG 3.3Å; E736-N740 PolarHBondContact O-N 3.27Å; E736-N740 PolarHBondContact O-ND2 2.98Å; E736-N740 VanDerWaalsContact O-ND2 3.08Å |
| 737 | D | 85.8 | Confident | 90.3 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | -180 | -73.3 | -13.4 | 0 | 0 | 0 | 111.8 | R473 K733 T741 | R473-D737 IonicContact NH1-OD2 3.26Å; K733-D737 WeakPolarHBondContact O-CB 3.3Å; K733-D737 VanDerWaalsContact O-CG 3.28Å; K733-D737 PolarHBondContact O-N 3.37Å; D737-T741 WeakPolarHBondContact O-CB 3.29Å; D737-T741 PolarHBondContact O-N 2.84Å; D737-T741 PolarHBondContact O-OG1 3.21Å |
| 738 | Q | 85.6 | Confident | 90.2 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.1 | -38.9 | -179.9 | -69.4 | -64.2 | -52.3 | 0 | 0 | 112.6 | L734 R735 E736 N740 T741 L742 L773 | L734-Q738 HydrophobicContact CD1-CG 4.07Å; L734-Q738 WeakPolarHBondContact O-CB 3.44Å; L734-Q738 VanDerWaalsContact O-CG 3.23Å; L734-Q738 WeakPolarHBondContact O-CG 3.28Å; L734-Q738 PolarHBondContact O-N 2.96Å; R735-Q738 PolarHBondContact O-N 3.39Å; E736-Q738 PolarHBondContact O-N 3.04Å; Q738-N740 VanDerWaalsContact C-N 3.34Å; Q738-T741 PolarHBondContact O-N 2.83Å; Q738-L742 WeakPolarHBondContact O-CB 3.48Å; Q738-L742 VanDerWaalsContact O-CG 3.31Å; Q738-L742 WeakPolarHBondContact O-CG 3.45Å; Q738-L742 PolarHBondContact O-N 3.31Å; Q738-L773 HydrophobicContact CB-CD1 3.68Å; Q738-L773 HydrophobicContact CB-CD2 4.01Å; Q738-L773 HydrophobicContact CB-CG 4.48Å; Q738-L773 HydrophobicContact CG-CD2 4.03Å |
| 739 | L | 92 | Very high | 89.9 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.4 | -75.6 | 171.5 | 0 | 0 | 0 | 111.4 | L668 I671 L714 R735 E736 T741 L742 R743 I770 | L668-L739 HydrophobicContact CD2-CD1 4.17Å; L668-L739 HydrophobicContact CD2-CD2 3.97Å; L668-L739 HydrophobicContact CD2-CG 4.33Å; I671-L739 HydrophobicContact CD1-CD2 4.28Å; L714-L739 HydrophobicContact CD2-CD1 4.3Å; R735-L739 WeakPolarHBondContact O-CB 3.47Å; R735-L739 VanDerWaalsContact O-CG 3.27Å; R735-L739 WeakPolarHBondContact O-CG 3.48Å; R735-L739 PolarHBondContact O-N 2.82Å; E736-L739 PolarHBondContact O-N 2.77Å; L739-T741 VanDerWaalsContact C-N 3.33Å; L739-T741 PolarHBondContact O-N 2.56Å; L739-L742 PolarHBondContact O-N 3.43Å; L739-R743 VanDerWaalsContact O-CB 3.3Å; L739-R743 WeakPolarHBondContact O-CB 3.35Å; L739-R743 PolarHBondContact O-N 2.84Å; L739-I770 HydrophobicContact CD2-CD1 3.64Å |
| 740 | N | 90.9 | Very high | 89.8 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.5 | -73.3 | -35.1 | 0 | 0 | 0 | 111.9 | E736 Q738 R743 E744 | E736-N740 WeakPolarHBondContact O-CB 3.4Å; E736-N740 VanDerWaalsContact O-CG 3.3Å; E736-N740 PolarHBondContact O-N 3.27Å; E736-N740 PolarHBondContact O-ND2 2.98Å; E736-N740 VanDerWaalsContact O-ND2 3.08Å; Q738-N740 VanDerWaalsContact C-N 3.34Å; N740-R743 WeakPolarHBondContact O-CB 3.46Å; N740-R743 PolarHBondContact O-N 3.29Å; N740-E744 WeakPolarHBondContact O-CG 3.44Å; N740-E744 PolarHBondContact O-N 3.29Å; N740-E744 VanDerWaalsContact O-N 3.11Å |
| 741 | T | 85.9 | Confident | 89.9 | Confident | 48 Ų | 48 | 55 Ų | 55 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | D737 Q738 L739 R743 E744 Q745 | D737-T741 WeakPolarHBondContact O-CB 3.29Å; D737-T741 PolarHBondContact O-N 2.84Å; D737-T741 PolarHBondContact O-OG1 3.21Å; Q738-T741 PolarHBondContact O-N 2.83Å; L739-T741 VanDerWaalsContact C-N 3.33Å; L739-T741 PolarHBondContact O-N 2.56Å; T741-R743 VanDerWaalsContact C-N 3.3Å; T741-R743 PolarHBondContact O-N 3.09Å; T741-E744 PolarHBondContact O-N 2.78Å; T741-Q745 VanDerWaalsContact O-CG 3.32Å; T741-Q745 WeakPolarHBondContact O-CG 3.39Å; T741-Q745 PolarHBondContact O-N 3.02Å |
| 742 | L | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 178 | -73.4 | 170.9 | 0 | 0 | 0 | 111.9 | F706 Q738 L739 Q745 A746 Y766 T769 I770 L773 | F706-L742 HydrophobicContact CE1-CB 4.26Å; F706-L742 HydrophobicContact CZ-CB 4.05Å; F706-L742 HydrophobicContact CZ-CD1 4.39Å; Q738-L742 WeakPolarHBondContact O-CB 3.48Å; Q738-L742 VanDerWaalsContact O-CG 3.31Å; Q738-L742 WeakPolarHBondContact O-CG 3.45Å; Q738-L742 PolarHBondContact O-N 3.31Å; L739-L742 PolarHBondContact O-N 3.43Å; L742-Q745 PolarHBondContact O-N 3.2Å; L742-A746 VanDerWaalsContact O-CB 3.3Å; L742-A746 WeakPolarHBondContact O-CB 3.41Å; L742-A746 PolarHBondContact O-N 2.9Å; L742-Y766 HydrophobicContact CD2-CD1 3.66Å; L742-Y766 HydrophobicContact CD2-CE1 4.2Å; L742-T769 HydrophobicContact CD1-CG2 3.91Å; L742-T769 HydrophobicContact CD2-CG2 4.15Å; L742-T769 HydrophobicContact CG-CG2 4.45Å; L742-I770 HydrophobicContact CD1-CD1 3.63Å; L742-I770 HydrophobicContact CD1-CG1 4.16Å; L742-L773 HydrophobicContact CD1-CD1 4.39Å |
| 743 | R | 93.7 | Very high | 89.1 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 174.4 | -177.8 | -175.9 | 168.8 | -75.8 | -5.2 | 111.7 | I707 C710 N711 L739 N740 T741 Q745 A746 I747 | I707-R743 HydrophobicContact CG2-CG 4.36Å; C710-R743 HydrophobicContact CB-CB 3.83Å; C710-R743 HydrophobicContact CB-CG 4.24Å; N711-R743 WeakPolarHBondContact OD1-CD 3.46Å; N711-R743 PolarHBondContact OD1-NE 3.3Å; L739-R743 VanDerWaalsContact O-CB 3.3Å; L739-R743 WeakPolarHBondContact O-CB 3.35Å; L739-R743 PolarHBondContact O-N 2.84Å; N740-R743 WeakPolarHBondContact O-CB 3.46Å; N740-R743 PolarHBondContact O-N 3.29Å; T741-R743 VanDerWaalsContact C-N 3.3Å; T741-R743 PolarHBondContact O-N 3.09Å; R743-Q745 VanDerWaalsContact C-N 3.31Å; R743-Q745 PolarHBondContact O-N 3.08Å; R743-A746 PolarHBondContact O-N 2.83Å; R743-I747 HydrophobicContact CG-CD1 4.17Å; R743-I747 VanDerWaalsContact O-CG1 3.32Å; R743-I747 WeakPolarHBondContact O-CG1 3.49Å; R743-I747 PolarHBondContact O-N 3.07Å |
| 744 | E | 91.4 | Very high | 88.7 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 177.3 | -65.5 | -57.3 | 137 | 0 | 0 | 111.5 | N740 T741 I747 N748 | N740-E744 WeakPolarHBondContact O-CG 3.44Å; N740-E744 PolarHBondContact O-N 3.29Å; N740-E744 VanDerWaalsContact O-N 3.11Å; T741-E744 PolarHBondContact O-N 2.78Å; E744-I747 PolarHBondContact O-N 3.42Å; E744-N748 WeakPolarHBondContact O-CB 3.44Å; E744-N748 PolarHBondContact O-N 3.45Å |
| 745 | Q | 88.6 | Confident | 88.7 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 174 | -72.6 | 175.2 | -1.3 | 0 | 0 | 112.2 | T741 L742 R743 N748 T749 Y766 | T741-Q745 VanDerWaalsContact O-CG 3.32Å; T741-Q745 WeakPolarHBondContact O-CG 3.39Å; T741-Q745 PolarHBondContact O-N 3.02Å; L742-Q745 PolarHBondContact O-N 3.2Å; R743-Q745 VanDerWaalsContact C-N 3.31Å; R743-Q745 PolarHBondContact O-N 3.08Å; Q745-N748 PolarHBondContact O-N 3.03Å; Q745-T749 WeakPolarHBondContact O-CB 3.26Å; Q745-T749 PolarHBondContact O-N 2.87Å; Q745-T749 PolarHBondContact O-OG1 2.94Å; Q745-Y766 VanDerWaalsContact C-OH 3.28Å; Q745-Y766 HydrophobicContact CB-CE1 4.05Å; Q745-Y766 PolarHBondContact O-OH 2.81Å |
| 746 | A | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L703 F706 I707 L742 R743 T749 R750 Y766 | L703-A746 HydrophobicContact CD2-CB 4.45Å; F706-A746 HydrophobicContact CD1-CB 3.72Å; F706-A746 HydrophobicContact CE1-CB 3.98Å; I707-A746 HydrophobicContact CD1-CB 4.3Å; I707-A746 HydrophobicContact CG1-CB 3.72Å; L742-A746 VanDerWaalsContact O-CB 3.3Å; L742-A746 WeakPolarHBondContact O-CB 3.41Å; L742-A746 PolarHBondContact O-N 2.9Å; R743-A746 PolarHBondContact O-N 2.83Å; A746-T749 PolarHBondContact O-N 2.76Å; A746-R750 VanDerWaalsContact O-CB 3.29Å; A746-R750 WeakPolarHBondContact O-CB 3.28Å; A746-R750 PolarHBondContact O-N 2.87Å; A746-Y766 HydrophobicContact CB-CE2 4.1Å |
| 747 | I | 93.9 | Very high | 88.1 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 172.4 | -68.1 | 166.1 | 0 | 0 | 0 | 109.8 | I707 R743 E744 T749 R750 E751 | I707-I747 HydrophobicContact CD1-CG1 3.87Å; I707-I747 HydrophobicContact CG1-CG1 4.13Å; I707-I747 HydrophobicContact CG2-CD1 4.48Å; I707-I747 HydrophobicContact CG2-CG1 4.18Å; R743-I747 HydrophobicContact CG-CD1 4.17Å; R743-I747 VanDerWaalsContact O-CG1 3.32Å; R743-I747 WeakPolarHBondContact O-CG1 3.49Å; R743-I747 PolarHBondContact O-N 3.07Å; E744-I747 PolarHBondContact O-N 3.42Å; I747-T749 PolarHBondContact O-N 2.72Å; I747-R750 WeakPolarHBondContact O-CB 3.5Å; I747-R750 PolarHBondContact O-N 3.15Å; I747-E751 WeakPolarHBondContact O-CG 3.48Å; I747-E751 PolarHBondContact O-N 2.8Å; I747-E751 VanDerWaalsContact O-N 3.12Å |
| 748 | N | 90.6 | Very high | 88.1 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 177.9 | 179.6 | 75.3 | 0 | 0 | 0 | 112.2 | E744 Q745 R750 E751 T752 | E744-N748 WeakPolarHBondContact O-CB 3.44Å; E744-N748 PolarHBondContact O-N 3.45Å; Q745-N748 PolarHBondContact O-N 3.03Å; N748-R750 VanDerWaalsContact C-N 3.33Å; N748-R750 PolarHBondContact O-N 2.8Å; N748-E751 PolarHBondContact O-N 2.82Å; N748-T752 PolarHBondContact ND2-OG1 2.83Å; N748-T752 WeakPolarHBondContact O-CB 3.39Å; N748-T752 WeakPolarHBondContact O-CG2 3.29Å; N748-T752 PolarHBondContact O-N 3.43Å; N748-T752 PolarHBondContact O-OG1 3.16Å; N748-T752 WeakPolarHBondContact OD1-CG2 3.45Å |
| 749 | T | 88.4 | Confident | 88.2 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 178 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | L703 Q745 A746 I747 E751 T752 V753 E762 Y766 | L703-T749 HydrophobicContact CD1-CG2 4.34Å; L703-T749 HydrophobicContact CD2-CG2 4.32Å; Q745-T749 WeakPolarHBondContact O-CB 3.26Å; Q745-T749 PolarHBondContact O-N 2.87Å; Q745-T749 PolarHBondContact O-OG1 2.94Å; A746-T749 PolarHBondContact O-N 2.76Å; I747-T749 PolarHBondContact O-N 2.72Å; T749-E751 VanDerWaalsContact C-N 3.25Å; T749-E751 PolarHBondContact O-N 2.98Å; T749-T752 PolarHBondContact O-N 3.45Å; T749-V753 HydrophobicContact CG2-CB 4.31Å; T749-V753 HydrophobicContact CG2-CG2 3.76Å; T749-V753 VanDerWaalsContact O-CB 3.32Å; T749-V753 WeakPolarHBondContact O-CB 3.2Å; T749-V753 PolarHBondContact O-N 2.8Å; T749-E762 HydrophobicContact CG2-CB 3.98Å; T749-E762 HydrophobicContact CG2-CG 4.11Å; T749-Y766 PolarHBondContact OG1-OH 2.75Å |
| 750 | R | 89.9 | Confident | 88 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.9 | -34.3 | 176.9 | -172.5 | -171.4 | -176.3 | -79.8 | 3.3 | 112.8 | L703 D704 A746 I747 N748 | L703-R750 HydrophobicContact CD1-CB 4.02Å; L703-R750 HydrophobicContact CD1-CG 4.39Å; D704-R750 WeakPolarHBondContact OD1-CD 3.4Å; D704-R750 IonicContact OD1-CZ 3.88Å; D704-R750 IonicContact OD1-NE 3.83Å; D704-R750 PolarHBondContact OD1-NE 2.95Å; D704-R750 IonicContact OD1-NH2 2.92Å; D704-R750 PolarHBondContact OD1-NH2 2.86Å; D704-R750 IonicContact OD2-CZ 2.71Å; D704-R750 IonicContact OD2-NE 2.72Å; D704-R750 PolarHBondContact OD2-NE 3.21Å; D704-R750 IonicContact OD2-NH2 3.67Å; D704-R750 PolarHBondContact OD2-NH2 3.22Å; A746-R750 VanDerWaalsContact O-CB 3.29Å; A746-R750 WeakPolarHBondContact O-CB 3.28Å; A746-R750 PolarHBondContact O-N 2.87Å; I747-R750 WeakPolarHBondContact O-CB 3.5Å; I747-R750 PolarHBondContact O-N 3.15Å; N748-R750 VanDerWaalsContact C-N 3.33Å; N748-R750 PolarHBondContact O-N 2.8Å |
| 751 | E | 88.9 | Confident | 87.7 | Confident | 150 Ų | 150 | 67.6 Ų | 67.6 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -88.1 | -28.2 | -178.8 | -69.1 | -177.9 | 175.3 | 0 | 0 | 114 | I747 N748 T749 | I747-E751 WeakPolarHBondContact O-CG 3.48Å; I747-E751 PolarHBondContact O-N 2.8Å; I747-E751 VanDerWaalsContact O-N 3.12Å; N748-E751 PolarHBondContact O-N 2.82Å; T749-E751 VanDerWaalsContact C-N 3.25Å; T749-E751 PolarHBondContact O-N 2.98Å |
| 752 | T | 83.7 | Confident | 87.8 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -109.8 | -27.5 | -168.6 | 59.9 | 0 | 0 | 0 | 0 | 115.1 | N748 T749 S754 | N748-T752 PolarHBondContact ND2-OG1 2.83Å; N748-T752 WeakPolarHBondContact O-CB 3.39Å; N748-T752 WeakPolarHBondContact O-CG2 3.29Å; N748-T752 PolarHBondContact O-N 3.43Å; N748-T752 PolarHBondContact O-OG1 3.16Å; N748-T752 WeakPolarHBondContact OD1-CG2 3.45Å; T749-T752 PolarHBondContact O-N 3.45Å; T752-S754 PolarHBondContact O-N 2.76Å |
| 753 | V | 82.2 | Confident | 87.9 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.297 | 35% | 0.345 | S | S | . | . | trans | -81.3 | 121.9 | -174.9 | 175.8 | 0 | 0 | 0 | 0 | 111 | T749 E755 D758 A759 | T749-V753 HydrophobicContact CG2-CB 4.31Å; T749-V753 HydrophobicContact CG2-CG2 3.76Å; T749-V753 VanDerWaalsContact O-CB 3.32Å; T749-V753 WeakPolarHBondContact O-CB 3.2Å; T749-V753 PolarHBondContact O-N 2.8Å; V753-E755 VanDerWaalsContact CG1-O 3.3Å; V753-E755 WeakPolarHBondContact CG1-O 3.48Å; V753-D758 HydrophobicContact CG1-CB 3.64Å; V753-A759 HydrophobicContact CG1-CB 4.1Å | ||
| 754 | S | 79.8 | Confident | 87.8 | Confident | 113 Ų | 113 | 69.8 Ų | 69.8 | 79% | 0.79 | 35% | 0.353 | S | S | * | . | trans | -96.9 | -23.6 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | T752 | T752-S754 PolarHBondContact O-N 2.76Š| ||
| 755 | E | 85.1 | Confident | 87.4 | Confident | 122 Ų | 122 | 65.5 Ų | 65.5 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | trans | -104.2 | 141 | -176.5 | -63.6 | -168.3 | -178.7 | 0 | 0 | 112 | V753 D758 A759 | V753-E755 VanDerWaalsContact CG1-O 3.3Å; V753-E755 WeakPolarHBondContact CG1-O 3.48Å; E755-D758 PolarHBondContact O-N 3.31Å; E755-A759 PolarHBondContact O-N 2.76Å | ||
| 756 | I | 86.4 | Confident | 87.7 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.2 | -36 | -175.6 | -66 | 158.5 | 0 | 0 | 0 | 111.6 | L682 I686 I692 Q695 D758 A759 L760 | L682-I756 HydrophobicContact CD1-CG2 4.13Å; L682-I756 HydrophobicContact CD2-CG2 4.45Å; I686-I756 HydrophobicContact CD1-CG2 3.91Å; I686-I756 HydrophobicContact CG1-CG2 4.28Å; I692-I756 HydrophobicContact CG2-CD1 3.95Å; Q695-I756 HydrophobicContact CB-CD1 3.74Å; I756-D758 VanDerWaalsContact C-N 3.33Å; I756-D758 PolarHBondContact O-N 3.41Å; I756-A759 PolarHBondContact O-N 2.81Å; I756-L760 WeakPolarHBondContact O-CB 3.43Å; I756-L760 PolarHBondContact O-N 2.78Å |
| 757 | D | 85.2 | Confident | 87.8 | Confident | 111 Ų | 111 | 65.7 Ų | 65.7 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.6 | -37.2 | 179.3 | -76.4 | -34 | 0 | 0 | 0 | 112.1 | L760 K761 | D757-L760 PolarHBondContact O-N 2.72Å; D757-K761 WeakPolarHBondContact O-CB 3.22Å; D757-K761 PolarHBondContact O-N 3.2Å |
| 758 | D | 84.7 | Confident | 87.4 | Confident | 74 Ų | 74 | 67.8 Ų | 67.8 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 173.7 | -76.1 | -25.3 | 0 | 0 | 0 | 111.1 | V753 E755 I756 L760 K761 E762 | V753-D758 HydrophobicContact CG1-CB 3.64Å; E755-D758 PolarHBondContact O-N 3.31Å; I756-D758 VanDerWaalsContact C-N 3.33Å; I756-D758 PolarHBondContact O-N 3.41Å; D758-L760 VanDerWaalsContact C-N 3.33Å; D758-L760 PolarHBondContact O-N 3.18Å; D758-K761 WeakPolarHBondContact O-CB 3.36Å; D758-K761 PolarHBondContact O-N 2.85Å; D758-E762 PolarHBondContact O-N 2.84Å |
| 759 | A | 87.8 | Confident | 87.1 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V753 E755 I756 K761 E762 L763 | V753-A759 HydrophobicContact CG1-CB 4.1Å; E755-A759 PolarHBondContact O-N 2.76Å; I756-A759 PolarHBondContact O-N 2.81Å; A759-K761 VanDerWaalsContact C-N 3.33Å; A759-K761 PolarHBondContact O-N 2.83Å; A759-E762 PolarHBondContact O-N 3.37Å; A759-L763 WeakPolarHBondContact O-CG 3.21Å; A759-L763 PolarHBondContact O-N 2.75Å |
| 760 | L | 88.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 176 | -178.2 | 66.2 | 0 | 0 | 0 | 112 | I679 L682 M683 I686 I756 D757 D758 K764 | I679-L760 HydrophobicContact CG2-CD1 3.99Å; L682-L760 HydrophobicContact CD2-CB 4.35Å; L682-L760 HydrophobicContact CD2-CD1 4.05Å; M683-L760 HydrophobicContact CG-CD1 4.1Å; M683-L760 HydrophobicContact CG-CD2 4.23Å; I686-L760 HydrophobicContact CD1-CD2 4.13Å; I756-L760 WeakPolarHBondContact O-CB 3.43Å; I756-L760 PolarHBondContact O-N 2.78Å; D757-L760 PolarHBondContact O-N 2.72Å; D758-L760 VanDerWaalsContact C-N 3.33Å; D758-L760 PolarHBondContact O-N 3.18Å; L760-K764 HydrophobicContact CG-CD 4.44Å; L760-K764 WeakPolarHBondContact O-CG 3.45Å; L760-K764 PolarHBondContact O-N 3.48Å; L760-K764 VanDerWaalsContact O-N 3.14Å |
| 761 | K | 85.6 | Confident | 87.5 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 52% | 0.517 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 176.5 | -174.4 | -177.3 | 175 | -170.4 | 0 | 111.6 | D757 D758 A759 S765 | D757-K761 WeakPolarHBondContact O-CB 3.22Å; D757-K761 PolarHBondContact O-N 3.2Å; D758-K761 WeakPolarHBondContact O-CB 3.36Å; D758-K761 PolarHBondContact O-N 2.85Å; A759-K761 VanDerWaalsContact C-N 3.33Å; A759-K761 PolarHBondContact O-N 2.83Å; K761-S765 PolarHBondContact O-N 2.86Å; K761-S765 VanDerWaalsContact O-N 3.1Å |
| 762 | E | 88 | Confident | 87.3 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 176 | -67.3 | -53.1 | 138.8 | 0 | 0 | 112.2 | T749 D758 A759 K764 S765 Y766 | T749-E762 HydrophobicContact CG2-CB 3.98Å; T749-E762 HydrophobicContact CG2-CG 4.11Å; D758-E762 PolarHBondContact O-N 2.84Å; A759-E762 PolarHBondContact O-N 3.37Å; E762-K764 VanDerWaalsContact C-N 3.31Å; E762-K764 PolarHBondContact O-N 3.18Å; E762-S765 CarbonylContact O-C 3.55Å; E762-S765 WeakPolarHBondContact O-CA 3.35Å; E762-S765 VanDerWaalsContact O-CB 3.24Å; E762-S765 WeakPolarHBondContact O-CB 3.1Å; E762-S765 PolarHBondContact O-N 3.02Å; E762-Y766 HydrophobicContact CB-CE2 4.14Å; E762-Y766 WeakPolarHBondContact O-CD2 3.3Å; E762-Y766 VanDerWaalsContact O-CG 3.31Å; E762-Y766 PolarHBondContact O-N 3.28Å |
| 763 | L | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 175.6 | -74.2 | 170.4 | 0 | 0 | 0 | 112.2 | L675 I679 L682 L703 A759 S765 Y766 R767 | L675-L763 HydrophobicContact CD2-CD2 3.76Å; I679-L763 HydrophobicContact CD1-CB 4.11Å; I679-L763 HydrophobicContact CG1-CB 3.87Å; L682-L763 HydrophobicContact CD2-CD1 4.36Å; L703-L763 HydrophobicContact CD2-CD2 3.74Å; L703-L763 HydrophobicContact CD2-CG 4.42Å; L703-L763 HydrophobicContact CG-CD2 4.09Å; A759-L763 WeakPolarHBondContact O-CG 3.21Å; A759-L763 PolarHBondContact O-N 2.75Å; L763-S765 VanDerWaalsContact C-N 3.3Å; L763-S765 PolarHBondContact O-N 3.15Å; L763-Y766 PolarHBondContact O-N 3.1Å; L763-R767 PolarHBondContact O-N 3.45Å |
| 764 | K | 91.4 | Very high | 88.1 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 40% | 0.404 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 174.7 | -74.7 | 173 | 179.1 | 174.3 | 0 | 112 | I679 L760 E762 E768 | I679-K764 HydrophobicContact CD1-CG 4.02Å; I679-K764 HydrophobicContact CG2-CG 4.4Å; L760-K764 HydrophobicContact CG-CD 4.44Å; L760-K764 WeakPolarHBondContact O-CG 3.45Å; L760-K764 PolarHBondContact O-N 3.48Å; L760-K764 VanDerWaalsContact O-N 3.14Å; E762-K764 VanDerWaalsContact C-N 3.31Å; E762-K764 PolarHBondContact O-N 3.18Å; K764-E768 PolarHBondContact O-N 2.63Å; K764-E768 VanDerWaalsContact O-N 3.14Å |
| 765 | S | 83.8 | Confident | 88.6 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 176 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | C240 K761 E762 L763 E768 T769 | C240-S765 PolarHBondContact SG-OG 2.94Å; K761-S765 PolarHBondContact O-N 2.86Å; K761-S765 VanDerWaalsContact O-N 3.1Å; E762-S765 CarbonylContact O-C 3.55Å; E762-S765 WeakPolarHBondContact O-CA 3.35Å; E762-S765 VanDerWaalsContact O-CB 3.24Å; E762-S765 WeakPolarHBondContact O-CB 3.1Å; E762-S765 PolarHBondContact O-N 3.02Å; L763-S765 VanDerWaalsContact C-N 3.3Å; L763-S765 PolarHBondContact O-N 3.15Å; S765-E768 PolarHBondContact O-N 3.18Å; S765-T769 PolarHBondContact O-N 3.19Å; S765-T769 PolarHBondContact O-OG1 3.29Å |
| 766 | Y | 93 | Very high | 89 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -47.8 | 176.4 | -61.1 | -28.5 | 0 | 0 | 0 | 111.8 | L703 F706 L742 Q745 A746 T749 E762 L763 E768 T769 I770 | L703-Y766 HydrophobicContact CD2-CE2 4.1Å; F706-Y766 AromaticContact CD1-CD2 3.98Å; F706-Y766 HydrophobicContact CD1-CD2 3.98Å; F706-Y766 HydrophobicContact CD1-CG 4.39Å; F706-Y766 HydrophobicContact CE1-CD1 4.4Å; F706-Y766 AromaticContact CE1-CD2 3.74Å; F706-Y766 HydrophobicContact CE1-CD2 3.74Å; F706-Y766 HydrophobicContact CE1-CE2 4.45Å; F706-Y766 AromaticContact CE1-CG 3.72Å; F706-Y766 HydrophobicContact CE1-CG 3.72Å; F706-Y766 HydrophobicContact CZ-CG 4.19Å; L742-Y766 HydrophobicContact CD2-CD1 3.66Å; L742-Y766 HydrophobicContact CD2-CE1 4.2Å; Q745-Y766 VanDerWaalsContact C-OH 3.28Å; Q745-Y766 HydrophobicContact CB-CE1 4.05Å; Q745-Y766 PolarHBondContact O-OH 2.81Å; A746-Y766 HydrophobicContact CB-CE2 4.1Å; T749-Y766 PolarHBondContact OG1-OH 2.75Å; E762-Y766 HydrophobicContact CB-CE2 4.14Å; E762-Y766 WeakPolarHBondContact O-CD2 3.3Å; E762-Y766 VanDerWaalsContact O-CG 3.31Å; E762-Y766 PolarHBondContact O-N 3.28Å; L763-Y766 PolarHBondContact O-N 3.1Å; Y766-E768 PolarHBondContact O-N 2.97Å; Y766-T769 PolarHBondContact O-N 2.96Å; Y766-T769 VanDerWaalsContact O-N 3.15Å; Y766-I770 WeakPolarHBondContact O-CG1 3.4Å; Y766-I770 PolarHBondContact O-N 3.45Å |
| 767 | R | 94.3 | Very high | 89.2 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 26% | 0.26 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.9 | -48.9 | 176.5 | 177.7 | -170.9 | 166.6 | -86.7 | 12.9 | 112 | L675 E676 I679 L763 T769 I770 L771 | L675-R767 HydrophobicContact CB-CB 4.19Å; L675-R767 HydrophobicContact CD1-CB 3.97Å; E676-R767 VanDerWaalsContact OE2-CD 3.28Å; E676-R767 WeakPolarHBondContact OE2-CD 3.46Å; E676-R767 IonicContact OE2-CZ 3.43Å; E676-R767 IonicContact OE2-NE 3.73Å; E676-R767 PolarHBondContact OE2-NE 3.38Å; E676-R767 IonicContact OE2-NH2 2.9Å; E676-R767 PolarHBondContact OE2-NH2 3.45Å; E676-R767 VanDerWaalsContact OE2-NH2 3.16Å; I679-R767 HydrophobicContact CD1-CB 4.4Å; L763-R767 PolarHBondContact O-N 3.45Å; R767-T769 VanDerWaalsContact C-N 3.28Å; R767-T769 PolarHBondContact O-N 2.96Å; R767-I770 PolarHBondContact O-N 2.98Å; R767-L771 HydrophobicContact CG-CD1 4.24Å; R767-L771 WeakPolarHBondContact O-CG 3.14Å; R767-L771 PolarHBondContact O-N 2.68Å |
| 768 | E | 86.1 | Confident | 89.6 | Confident | 85 Ų | 85 | 39.6 Ų | 39.6 | 40% | 0.397 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -37.6 | -180 | -167.1 | 64.3 | -166.8 | 0 | 0 | 111.7 | K764 S765 Y766 L771 N772 | K764-E768 PolarHBondContact O-N 2.63Å; K764-E768 VanDerWaalsContact O-N 3.14Å; S765-E768 PolarHBondContact O-N 3.18Å; Y766-E768 PolarHBondContact O-N 2.97Å; E768-L771 PolarHBondContact O-N 3.36Å; E768-N772 PolarHBondContact O-N 3.45Å; E768-N772 VanDerWaalsContact O-N 3.13Å; E768-N772 PolarHBondContact O-ND2 2.8Å |
| 769 | T | 85.4 | Confident | 89.8 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | L742 S765 Y766 R767 N772 L773 | L742-T769 HydrophobicContact CD1-CG2 3.91Å; L742-T769 HydrophobicContact CD2-CG2 4.15Å; L742-T769 HydrophobicContact CG-CG2 4.45Å; S765-T769 PolarHBondContact O-N 3.19Å; S765-T769 PolarHBondContact O-OG1 3.29Å; Y766-T769 PolarHBondContact O-N 2.96Å; Y766-T769 VanDerWaalsContact O-N 3.15Å; R767-T769 VanDerWaalsContact C-N 3.28Å; R767-T769 PolarHBondContact O-N 2.96Å; T769-N772 PolarHBondContact O-N 3.38Å; T769-L773 WeakPolarHBondContact O-CG 3.44Å; T769-L773 PolarHBondContact O-N 3.39Å; T769-L773 VanDerWaalsContact O-N 3.09Å |
| 770 | I | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 177.2 | -65.3 | -67.9 | 0 | 0 | 0 | 111.5 | L668 I671 A672 F706 L739 L742 Y766 R767 N772 L773 A774 | L668-I770 HydrophobicContact CB-CG2 4.17Å; L668-I770 HydrophobicContact CD2-CD1 4.36Å; L668-I770 HydrophobicContact CD2-CG2 4.36Å; L668-I770 WeakPolarHBondContact O-CG2 3.24Å; I671-I770 HydrophobicContact CB-CG2 4.24Å; I671-I770 HydrophobicContact CG2-CD1 4.32Å; I671-I770 HydrophobicContact CG2-CG1 4.28Å; I671-I770 HydrophobicContact CG2-CG2 4.37Å; A672-I770 HydrophobicContact CB-CG2 3.95Å; F706-I770 HydrophobicContact CE2-CD1 4.11Å; F706-I770 HydrophobicContact CE2-CG1 3.92Å; F706-I770 HydrophobicContact CZ-CD1 4.35Å; F706-I770 HydrophobicContact CZ-CG1 4.25Å; L739-I770 HydrophobicContact CD2-CD1 3.64Å; L742-I770 HydrophobicContact CD1-CD1 3.63Å; L742-I770 HydrophobicContact CD1-CG1 4.16Å; Y766-I770 WeakPolarHBondContact O-CG1 3.4Å; Y766-I770 PolarHBondContact O-N 3.45Å; R767-I770 PolarHBondContact O-N 2.98Å; I770-N772 VanDerWaalsContact C-N 3.28Å; I770-N772 PolarHBondContact O-N 3Å; I770-L773 HydrophobicContact CD1-CD1 4.45Å; I770-L773 PolarHBondContact O-N 2.73Å; I770-L773 VanDerWaalsContact O-N 3.1Å; I770-A774 PolarHBondContact O-N 3.34Å |
| 771 | L | 92.3 | Very high | 90.4 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 29% | 0.293 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.8 | -38.8 | 176.1 | -72.8 | 174.3 | 0 | 0 | 0 | 112 | L669 A672 R767 E768 A774 | L669-L771 HydrophobicContact CD2-CD2 4.11Å; A672-L771 HydrophobicContact CB-CD2 3.74Å; A672-L771 HydrophobicContact CB-CG 4.06Å; R767-L771 HydrophobicContact CG-CD1 4.24Å; R767-L771 WeakPolarHBondContact O-CG 3.14Å; R767-L771 PolarHBondContact O-N 2.68Å; E768-L771 PolarHBondContact O-N 3.36Å; L771-A774 PolarHBondContact O-N 2.91Å |
| 772 | N | 85 | Confident | 90.9 | Very high | 78 Ų | 78 | 32.9 Ų | 32.9 | 42% | 0.417 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -67 | -35.7 | 174.9 | -73.2 | -47.4 | 0 | 0 | 0 | 112.7 | E768 T769 I770 A774 I775 | E768-N772 PolarHBondContact O-N 3.45Å; E768-N772 VanDerWaalsContact O-N 3.13Å; E768-N772 PolarHBondContact O-ND2 2.8Å; T769-N772 PolarHBondContact O-N 3.38Å; I770-N772 VanDerWaalsContact C-N 3.28Å; I770-N772 PolarHBondContact O-N 3Å; N772-A774 VanDerWaalsContact C-N 3.32Å; N772-I775 PolarHBondContact O-N 2.77Å |
| 773 | L | 89.1 | Confident | 91.3 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.4 | -25.9 | 176 | -68.1 | 171.8 | 0 | 0 | 0 | 113.5 | L668 R735 Q738 L742 T769 I770 I775 | L668-L773 HydrophobicContact CD1-CB 4.02Å; L668-L773 WeakPolarHBondContact CD1-O 3.47Å; L668-L773 HydrophobicContact CD2-CB 4.43Å; R735-L773 PolarHBondContact NE-O 3.04Å; R735-L773 VanDerWaalsContact NE-O 3.09Å; Q738-L773 HydrophobicContact CB-CD1 3.68Å; Q738-L773 HydrophobicContact CB-CD2 4.01Å; Q738-L773 HydrophobicContact CB-CG 4.48Å; Q738-L773 HydrophobicContact CG-CD2 4.03Å; L742-L773 HydrophobicContact CD1-CD1 4.39Å; T769-L773 WeakPolarHBondContact O-CG 3.44Å; T769-L773 PolarHBondContact O-N 3.39Å; T769-L773 VanDerWaalsContact O-N 3.09Å; I770-L773 HydrophobicContact CD1-CD1 4.45Å; I770-L773 PolarHBondContact O-N 2.73Å; I770-L773 VanDerWaalsContact O-N 3.1Å; L773-I775 PolarHBondContact O-N 3.32Å |
| 774 | A | 93.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 7% | 0.066 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -11.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V665 L668 L669 I770 L771 N772 E776 | V665-A774 WeakPolarHBondContact CG1-O 3.14Å; V665-A774 WeakPolarHBondContact CG2-O 3.3Å; L668-A774 HydrophobicContact CB-CB 3.85Å; L668-A774 HydrophobicContact CD1-CB 4.48Å; L669-A774 HydrophobicContact CD2-CB 3.79Å; L669-A774 HydrophobicContact CG-CB 4.02Å; I770-A774 PolarHBondContact O-N 3.34Å; L771-A774 PolarHBondContact O-N 2.91Å; N772-A774 VanDerWaalsContact C-N 3.32Å; A774-E776 PolarHBondContact O-N 3.08Å |
| 775 | I | 90.8 | Very high | 91.8 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 36% | 0.359 | 14% | 0.136 | S | C | . | . | trans | -66.3 | 125.2 | 176.1 | -60.5 | 174.7 | 0 | 0 | 0 | 109.4 | Q468 R735 N772 L773 | Q468-I775 HydrophobicContact CG-CG2 3.99Å; R735-I775 PolarHBondContact NH2-O 2.95Å; N772-I775 PolarHBondContact O-N 2.77Å; L773-I775 PolarHBondContact O-N 3.32Å | ||
| 776 | E | 93.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | trans | -119.7 | 105.9 | 177.9 | -179.7 | 53.8 | -113.1 | 0 | 0 | 110.2 | R661 V665 R735 A774 Q778 M779 | R661-E776 HydrophobicContact CB-CG 4.42Å; V665-E776 HydrophobicContact CG2-CB 3.47Å; V665-E776 VanDerWaalsContact CG2-CB 3.47Å; V665-E776 HydrophobicContact CG2-CG 4.16Å; R735-E776 IonicContact CZ-OE2 3.7Å; R735-E776 IonicContact NH1-OE2 2.88Å; R735-E776 PolarHBondContact NH1-OE2 2.71Å; R735-E776 VanDerWaalsContact NH1-OE2 3.09Å; R735-E776 IonicContact NH2-OE2 3.15Å; R735-E776 PolarHBondContact NH2-OE2 3.47Å; A774-E776 PolarHBondContact O-N 3.08Å; E776-Q778 VanDerWaalsContact C-N 3.28Å; E776-Q778 PolarHBondContact O-N 2.82Å; E776-Q778 WeakPolarHBondContact OE1-CB 3.08Å; E776-Q778 PolarHBondContact OE1-N 3.23Å; E776-M779 HydrophobicContact CB-CG 4.02Å; E776-M779 HydrophobicContact CG-CG 3.91Å; E776-M779 WeakPolarHBondContact O-CG 3.33Å | ||
| 777 | P | 90.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 25.9 Ų | 25.9 | 17% | 0.169 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -22.4 | -180 | 28.1 | -34.2 | 0 | 0 | 0 | 112.7 | Q468 I469 F506 M727 L731 M779 | Q468-P777 HydrophobicContact CB-CB 4.31Å; I469-P777 HydrophobicContact CG2-CB 3.78Å; I469-P777 HydrophobicContact CG2-CG 3.92Å; F506-P777 WeakPolarHBondContact CE2-O 3.02Å; M727-P777 HydrophobicContact CE-CG 3.69Å; L731-P777 HydrophobicContact CD1-CG 4.39Å; P777-M779 PolarHBondContact O-N 3.45Å |
| 778 | Q | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 36.1 | -175.4 | -52.3 | -168.2 | 101.1 | 0 | 0 | 113.4 | F506 G507 R661 N725 M727 D728 E776 S780 | F506-Q778 HydrophobicContact CD2-CG 3.95Å; F506-Q778 HydrophobicContact CE2-CB 4.38Å; F506-Q778 HydrophobicContact CE2-CG 3.77Å; G507-Q778 VanDerWaalsContact CA-OE1 3.3Å; R661-Q778 PolarHBondContact NH1-O 3.06Å; N725-Q778 PolarHBondContact ND2-OE1 2.92Å; N725-Q778 PolarHBondContact OD1-NE2 3.45Å; N725-Q778 PolarHBondContact OD1-OE1 3.35Å; M727-Q778 HydrophobicContact CG-CG 4.2Å; D728-Q778 PolarHBondContact OD1-NE2 3.15Å; E776-Q778 VanDerWaalsContact C-N 3.28Å; E776-Q778 PolarHBondContact O-N 2.82Å; E776-Q778 WeakPolarHBondContact OE1-CB 3.08Å; E776-Q778 PolarHBondContact OE1-N 3.23Å; Q778-S780 PolarHBondContact O-N 3.05Å |
| 779 | M | 89.8 | Confident | 92.6 | Very high | 70 Ų | 70 | 19.2 Ų | 19.2 | 35% | 0.345 | 10% | 0.102 | S | C | . | . | trans | -74.3 | 88.5 | 173.9 | -74.3 | -159.4 | -70.2 | 0 | 0 | 111.4 | N512 L662 E776 P777 H803 | N512-M779 PolarHBondContact ND2-O 2.97Å; N512-M779 VanDerWaalsContact ND2-O 3.09Å; L662-M779 HydrophobicContact CD2-CG 4.07Å; L662-M779 HydrophobicContact CD2-SD 4.41Å; E776-M779 HydrophobicContact CB-CG 4.02Å; E776-M779 HydrophobicContact CG-CG 3.91Å; E776-M779 WeakPolarHBondContact O-CG 3.33Å; P777-M779 PolarHBondContact O-N 3.45Å; M779-H803 PolarHBondContact SD-ND1 2.84Å | ||
| 780 | S | 93.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | trans | -82.2 | -23.9 | -176 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | N512 E656 I658 Q778 | N512-S780 PolarHBondContact ND2-O 2.69Å; N512-S780 PolarHBondContact OD1-O 3.01Å; E656-S780 VanDerWaalsContact CG-OG 3.31Å; E656-S780 WeakPolarHBondContact CG-OG 3.4Å; E656-S780 VanDerWaalsContact OE1-C 3.3Å; E656-S780 WeakPolarHBondContact OE1-CB 3.49Å; E656-S780 PolarHBondContact OE1-OG 2.81Å; I658-S780 WeakPolarHBondContact CD1-OG 3.36Å; Q778-S780 PolarHBondContact O-N 3.05Å | ||
| 781 | I | 95.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.036 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -75.4 | 127.7 | 174 | -58.5 | 179.8 | 0 | 0 | 0 | 109.5 | N512 I607 W655 I658 L662 A802 F852 | N512-I781 VanDerWaalsContact ND2-C 3.33Å; N512-I781 PolarHBondContact ND2-O 3.27Å; I607-I781 HydrophobicContact CD1-CG2 3.94Å; W655-I781 HydrophobicContact CB-CD1 4.36Å; W655-I781 HydrophobicContact CB-CG1 4.11Å; W655-I781 HydrophobicContact CG-CG1 4.4Å; W655-I781 HydrophobicContact CG-CG2 4.39Å; I658-I781 HydrophobicContact CD1-CD1 4.31Å; I658-I781 HydrophobicContact CD1-CG1 4.08Å; I658-I781 HydrophobicContact CG1-CD1 3.91Å; I658-I781 HydrophobicContact CG1-CG1 4.07Å; L662-I781 HydrophobicContact CD1-CD1 4.08Å; I781-A802 HydrophobicContact CB-CB 4.31Å; I781-A802 HydrophobicContact CG2-CB 3.71Å; I781-F852 HydrophobicContact CD1-CE1 4.19Å; I781-F852 HydrophobicContact CG2-CE1 3.96Å; I781-F852 HydrophobicContact CG2-CZ 3.98Å |
| 782 | P | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 162.5 | 178.4 | -19.6 | 30.6 | 0 | 0 | 0 | 113.6 | N512 Y540 I607 W655 | N512-P782 WeakPolarHBondContact OD1-CG 2.81Å; Y540-P782 HydrophobicContact CD2-CB 3.97Å; Y540-P782 HydrophobicContact CD2-CG 4.17Å; Y540-P782 HydrophobicContact CE2-CB 3.99Å; Y540-P782 HydrophobicContact CE2-CG 3.66Å; I607-P782 HydrophobicContact CG1-CB 4.38Å; W655-P782 HydrophobicContact CH2-CG 3.53Å; W655-P782 HydrophobicContact CZ2-CG 4.02Å; W655-P782 HydrophobicContact CZ3-CG 3.81Å |
| 783 | D | 96 | Very high | 90.8 | Very high | 23 Ų | 23 | 25.5 Ų | 25.5 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 149.2 | 170.4 | -67.3 | 5.4 | 0 | 0 | 0 | 110.5 | Y514 R799 | Y514-D783 HydrophobicContact CE1-CB 4.48Å; Y514-D783 WeakPolarHBondContact OH-CB 3.37Å; Y514-D783 PolarHBondContact OH-N 3.25Å; Y514-D783 PolarHBondContact OH-OD1 2.91Å; D783-R799 IonicContact OD2-CZ 3.86Å; D783-R799 IonicContact OD2-NE 3.98Å; D783-R799 PolarHBondContact OD2-NE 3.22Å; D783-R799 IonicContact OD2-NH2 3.34Å; D783-R799 PolarHBondContact OD2-NH2 2.69Å |
| 784 | I | 97.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127.5 | 167.9 | -61.7 | 154.2 | 0 | 0 | 0 | 107.6 | L583 I605 S606 I607 R799 I800 V805 V850 F852 | L583-I784 HydrophobicContact CD1-CD1 3.71Å; L583-I784 HydrophobicContact CD1-CG1 4.22Å; L583-I784 HydrophobicContact CD2-CD1 4.35Å; L583-I784 HydrophobicContact CD2-CG1 3.94Å; L583-I784 HydrophobicContact CD2-CG2 3.81Å; I605-I784 HydrophobicContact CG2-CG2 4.22Å; S606-I784 CarbonylContact O-C 3.54Å; S606-I784 WeakPolarHBondContact O-CA 3.32Å; I607-I784 HydrophobicContact CB-CG1 4.33Å; I607-I784 HydrophobicContact CD1-CG1 3.98Å; I607-I784 HydrophobicContact CG1-CG1 4.31Å; I784-R799 CarbonylContact O-C 3.51Å; I784-R799 WeakPolarHBondContact O-CA 3.42Å; I784-I800 HydrophobicContact CB-CB 4.25Å; I784-I800 PolarHBondContact N-O 2.75Å; I784-I800 PolarHBondContact O-N 2.95Å; I784-V805 HydrophobicContact CD1-CG2 3.38Å; I784-V850 HydrophobicContact CD1-CG1 4.35Å; I784-F852 HydrophobicContact CD1-CB 4.35Å |
| 785 | I | 96 | Very high | 90.3 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129 | -179.8 | -46.4 | -178.4 | 0 | 0 | 0 | 108.9 | I605 S606 W787 Y797 H798 R799 | I605-I785 WeakPolarHBondContact CA-O 2.91Å; S606-I785 PolarHBondContact N-O 2.85Å; S606-I785 PolarHBondContact O-N 3.37Å; I785-W787 HydrophobicContact CG2-CD2 4.36Å; I785-W787 HydrophobicContact CG2-CG 4.33Å; I785-W787 HydrophobicContact CG2-CZ2 4.28Å; I785-W787 VanDerWaalsContact CG2-NE1 3.32Å; I785-Y797 HydrophobicContact CG2-CD2 4.46Å; I785-H798 WeakPolarHBondContact CA-O 3.39Å; I785-R799 HydrophobicContact CG1-CG 4.29Å |
| 786 | I | 97 | Very high | 90.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.4 | 173.2 | -50.6 | -165.1 | 0 | 0 | 0 | 107.5 | F587 E604 I605 Y797 H798 I800 I824 L846 | F587-I786 HydrophobicContact CE1-CG2 4.49Å; E604-I786 CarbonylContact O-C 3.53Å; E604-I786 WeakPolarHBondContact O-CA 3.06Å; I605-I786 HydrophobicContact CD1-CB 4.01Å; I605-I786 HydrophobicContact CD1-CD1 3.72Å; I605-I786 HydrophobicContact CD1-CG1 3.46Å; I605-I786 VanDerWaalsContact CD1-CG1 3.46Å; I605-I786 HydrophobicContact CD1-CG2 3.85Å; I786-Y797 CarbonylContact O-C 3.56Å; I786-Y797 WeakPolarHBondContact O-CA 3.18Å; I786-H798 PolarHBondContact N-O 2.77Å; I786-H798 PolarHBondContact O-N 3.31Å; I786-I800 HydrophobicContact CD1-CD1 3.78Å; I786-I800 HydrophobicContact CG1-CD1 4.36Å; I786-I824 HydrophobicContact CD1-CD1 3.54Å; I786-L846 HydrophobicContact CG2-CD1 3.85Å |
| 787 | W | 95 | Very high | 90.4 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.6 | 176 | -73.9 | 103.9 | 0 | 0 | 0 | 110.9 | P517 V538 A539 F603 E604 I785 L789 R794 Y797 | P517-W787 HydrophobicContact CB-CH2 4.38Å; P517-W787 HydrophobicContact CG-CH2 4.36Å; V538-W787 HydrophobicContact CB-CH2 4.39Å; V538-W787 HydrophobicContact CG2-CH2 4.02Å; A539-W787 HydrophobicContact CB-CZ2 4.05Å; F603-W787 CarbonylContact C-O 3.02Å; F603-W787 WeakPolarHBondContact CA-O 3.38Å; E604-W787 HydrophobicContact CB-CB 4.2Å; E604-W787 PolarHBondContact N-O 3.48Å; E604-W787 PolarHBondContact O-N 3.32Å; I785-W787 HydrophobicContact CG2-CD2 4.36Å; I785-W787 HydrophobicContact CG2-CG 4.33Å; I785-W787 HydrophobicContact CG2-CZ2 4.28Å; I785-W787 VanDerWaalsContact CG2-NE1 3.32Å; W787-L789 HydrophobicContact CB-CD1 3.85Å; W787-R794 HydrophobicContact CB-CG 4.36Å; W787-R794 HydrophobicContact CD2-CB 4.34Å; W787-R794 HydrophobicContact CD2-CG 4.03Å; W787-R794 HydrophobicContact CE3-CB 3.61Å; W787-R794 HydrophobicContact CE3-CG 3.82Å; W787-R794 HydrophobicContact CG-CG 4.27Å; W787-R794 HydrophobicContact CZ3-CB 3.92Å; W787-R794 HydrophobicContact CZ3-CG 4.45Å; W787-Y797 HydrophobicContact CH2-CG 4.24Å; W787-Y797 HydrophobicContact CZ3-CD1 4.44Å; W787-Y797 HydrophobicContact CZ3-CG 4.2Å |
| 788 | M | 93.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.2 | 162.8 | -179.6 | -175.9 | -174.7 | 0 | 0 | 108.8 | I593 I601 F603 R794 T795 A796 L826 P843 A844 | I593-M788 HydrophobicContact CG2-CE 4.16Å; I601-M788 HydrophobicContact CD1-CE 3.57Å; I601-M788 HydrophobicContact CG1-CE 3.98Å; I601-M788 HydrophobicContact CG2-CE 3.87Å; I601-M788 HydrophobicContact CG2-CG 4.08Å; F603-M788 HydrophobicContact CD1-CB 4.05Å; F603-M788 HydrophobicContact CD1-CG 4.32Å; F603-M788 HydrophobicContact CE1-CB 3.87Å; F603-M788 HydrophobicContact CE1-CG 3.78Å; F603-M788 HydrophobicContact CE1-SD 4.49Å; M788-R794 WeakPolarHBondContact O-CA 3.45Å; M788-T795 PolarHBondContact O-N 2.67Å; M788-T795 PolarHBondContact O-OG1 3.23Å; M788-A796 HydrophobicContact CB-CB 4.17Å; M788-A796 PolarHBondContact N-O 3.07Å; M788-A796 HydrophobicContact SD-CB 4.3Å; M788-L826 HydrophobicContact CB-CD1 3.58Å; M788-L826 HydrophobicContact CG-CD1 4.35Å; M788-L826 HydrophobicContact SD-CD1 4.2Å; M788-P843 HydrophobicContact SD-CB 4.33Å; M788-A844 HydrophobicContact CE-CB 4.35Å; M788-A844 HydrophobicContact SD-CB 4Å |
| 789 | L | 89.3 | Confident | 90.7 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.5 | 176.9 | -65 | 81.8 | 0 | 0 | 0 | 109.2 | I601 E602 E604 W787 K793 R794 | I601-L789 VanDerWaalsContact CA-O 3.3Å; I601-L789 WeakPolarHBondContact CA-O 3.49Å; E602-L789 HydrophobicContact CG-CB 3.72Å; E602-L789 HydrophobicContact CG-CD1 4.44Å; E602-L789 HydrophobicContact CG-CD2 4.42Å; E602-L789 HydrophobicContact CG-CG 4.41Å; E602-L789 PolarHBondContact N-O 2.59Å; E602-L789 PolarHBondContact O-N 3.19Å; E604-L789 HydrophobicContact CB-CD1 3.51Å; W787-L789 HydrophobicContact CB-CD1 3.85Å; L789-K793 CarbonylContact C-O 3.54Å; L789-K793 VanDerWaalsContact CA-O 3.23Å; L789-K793 WeakPolarHBondContact CA-O 3.41Å; L789-R794 HydrophobicContact CG-CG 4.1Å |
| 790 | C | 85.2 | Confident | 91 | Very high | 22 Ų | 22 | 25 Ų | 25 | 15% | 0.149 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.6 | 172.2 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | G792 K793 T795 | C790-G792 PolarHBondContact O-N 3.17Å; C790-K793 PolarHBondContact N-O 3.18Å; C790-K793 PolarHBondContact O-N 2.99Å; C790-K793 VanDerWaalsContact O-N 3.1Å; C790-T795 HydrophobicContact CB-CG2 3.93Å |
| 791 | G | 76 | Confident | 91.1 | Very high | 54 Ų | 54 | 26.3 Ų | 26.3 | 56% | 0.557 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 30.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P600 | P600-G791 PolarHBondContact O-N 3.04Š|
| 792 | G | 74.9 | Confident | 91.1 | Very high | 54 Ų | 54 | 26.2 Ų | 26.2 | 56% | 0.557 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -1.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | C790 | C790-G792 PolarHBondContact O-N 3.17Š|
| 793 | K | 81.5 | Confident | 91.1 | Very high | 149 Ų | 149 | 27.1 Ų | 27.1 | 65% | 0.648 | 16% | 0.161 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.1 | 175.4 | -62.5 | -176.6 | 180 | -178.4 | 0 | 111.1 | L789 C790 T795 | L789-K793 CarbonylContact C-O 3.54Å; L789-K793 VanDerWaalsContact CA-O 3.23Å; L789-K793 WeakPolarHBondContact CA-O 3.41Å; C790-K793 PolarHBondContact N-O 3.18Å; C790-K793 PolarHBondContact O-N 2.99Å; C790-K793 VanDerWaalsContact O-N 3.1Å; K793-T795 PolarHBondContact O-N 3.27Å |
| 794 | R | 86.4 | Confident | 91 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 9% | 0.094 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 117.6 | 179.3 | -69.9 | 173.7 | 173.3 | 140.7 | 0.9 | 110 | E519 E604 N612 L614 W787 M788 L789 | E519-R794 WeakPolarHBondContact OE1-CA 3.2Å; E519-R794 VanDerWaalsContact OE1-CB 3.31Å; E519-R794 WeakPolarHBondContact OE1-CB 3.36Å; E519-R794 PolarHBondContact OE1-N 3.31Å; E604-R794 IonicContact OE1-CZ 2.73Å; E604-R794 IonicContact OE1-NE 3.51Å; E604-R794 PolarHBondContact OE1-NE 3.31Å; E604-R794 IonicContact OE1-NH2 3.22Å; E604-R794 PolarHBondContact OE1-NH2 3.22Å; E604-R794 IonicContact OE2-NH2 3.63Å; N612-R794 PolarHBondContact OD1-NH2 2.98Å; L614-R794 VanDerWaalsContact CD1-NH1 3.34Å; W787-R794 HydrophobicContact CB-CG 4.36Å; W787-R794 HydrophobicContact CD2-CB 4.34Å; W787-R794 HydrophobicContact CD2-CG 4.03Å; W787-R794 HydrophobicContact CE3-CB 3.61Å; W787-R794 HydrophobicContact CE3-CG 3.82Å; W787-R794 HydrophobicContact CG-CG 4.27Å; W787-R794 HydrophobicContact CZ3-CB 3.92Å; W787-R794 HydrophobicContact CZ3-CG 4.45Å; M788-R794 WeakPolarHBondContact O-CA 3.45Å; L789-R794 HydrophobicContact CG-CG 4.1Å |
| 795 | T | 85.8 | Confident | 91 | Very high | 61 Ų | 61 | 28.4 Ų | 28.4 | 37% | 0.374 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -30.1 | -175.4 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | M788 C790 K793 | M788-T795 PolarHBondContact O-N 2.67Å; M788-T795 PolarHBondContact O-OG1 3.23Å; C790-T795 HydrophobicContact CB-CG2 3.93Å; K793-T795 PolarHBondContact O-N 3.27Å |
| 796 | A | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 161.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M788 L826 K827 P843 | M788-A796 HydrophobicContact CB-CB 4.17Å; M788-A796 PolarHBondContact N-O 3.07Å; M788-A796 HydrophobicContact SD-CB 4.3Å; A796-L826 HydrophobicContact CB-CB 4.03Å; A796-L826 HydrophobicContact CB-CD1 4.33Å; A796-K827 CarbonylContact C-O 3.57Å; A796-K827 VanDerWaalsContact CA-O 3.31Å; A796-K827 WeakPolarHBondContact CA-O 3.06Å; A796-K827 WeakPolarHBondContact CB-O 3.34Å; A796-P843 HydrophobicContact CB-CB 3.63Å; A796-P843 HydrophobicContact CB-CG 3.83Å |
| 797 | Y | 94.4 | Very high | 91 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 167 | -177.8 | 79.6 | -69.5 | 0 | 0 | 0 | 113.7 | V538 I785 I786 W787 R799 K827 P829 | V538-Y797 HydrophobicContact CB-CD1 4.26Å; V538-Y797 HydrophobicContact CB-CD2 4.22Å; V538-Y797 HydrophobicContact CB-CE1 3.82Å; V538-Y797 HydrophobicContact CB-CE2 3.75Å; V538-Y797 HydrophobicContact CB-CG 4.46Å; V538-Y797 HydrophobicContact CG1-CD1 4.43Å; V538-Y797 HydrophobicContact CG1-CE1 3.56Å; V538-Y797 HydrophobicContact CG1-CE2 4.01Å; V538-Y797 WeakPolarHBondContact CG1-OH 3.37Å; I785-Y797 HydrophobicContact CG2-CD2 4.46Å; I786-Y797 CarbonylContact O-C 3.56Å; I786-Y797 WeakPolarHBondContact O-CA 3.18Å; W787-Y797 HydrophobicContact CH2-CG 4.24Å; W787-Y797 HydrophobicContact CZ3-CD1 4.44Å; W787-Y797 HydrophobicContact CZ3-CG 4.2Å; Y797-R799 HydrophobicContact CD2-CG 4.18Å; Y797-R799 HydrophobicContact CE2-CG 4.01Å; Y797-K827 HydrophobicContact CD1-CG 4.42Å; Y797-K827 WeakPolarHBondContact CD1-O 3.31Å; Y797-K827 HydrophobicContact CE1-CG 3.98Å; Y797-K827 PolarHBondContact N-O 3.02Å; Y797-K827 PolarHBondContact O-N 2.51Å; Y797-K827 VanDerWaalsContact OH-CE 3.28Å; Y797-K827 WeakPolarHBondContact OH-CE 3.45Å; Y797-P829 HydrophobicContact CD1-CG 4.15Å; Y797-P829 HydrophobicContact CE1-CG 4.22Å |
| 798 | H | 95.9 | Very high | 91 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 144.2 | 164.8 | -161.6 | 95 | 0 | 0 | 0 | 109.7 | I785 I786 I824 N825 L826 | I785-H798 WeakPolarHBondContact CA-O 3.39Å; I786-H798 PolarHBondContact N-O 2.77Å; I786-H798 PolarHBondContact O-N 3.31Å; H798-I824 HydrophobicContact CB-CD1 4.49Å; H798-N825 PolarHBondContact ND1-O 3.36Å; H798-L826 HydrophobicContact CB-CD2 3.67Å |
| 799 | R | 95.1 | Very high | 90.9 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132 | 177 | -78.5 | 174.5 | 58.8 | 179.5 | -0.6 | 109.3 | G537 D783 I784 I785 Y797 | G537-R799 PolarHBondContact O-NH1 3.4Å; D783-R799 IonicContact OD2-CZ 3.86Å; D783-R799 IonicContact OD2-NE 3.98Å; D783-R799 PolarHBondContact OD2-NE 3.22Å; D783-R799 IonicContact OD2-NH2 3.34Å; D783-R799 PolarHBondContact OD2-NH2 2.69Å; I784-R799 CarbonylContact O-C 3.51Å; I784-R799 WeakPolarHBondContact O-CA 3.42Å; I785-R799 HydrophobicContact CG1-CG 4.29Å; Y797-R799 HydrophobicContact CD2-CG 4.18Å; Y797-R799 HydrophobicContact CE2-CG 4.01Å |
| 800 | I | 96.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 115.2 | 177.5 | -56.3 | 176.6 | 0 | 0 | 0 | 107.4 | I784 I786 A802 V805 V850 | I784-I800 HydrophobicContact CB-CB 4.25Å; I784-I800 PolarHBondContact N-O 2.75Å; I784-I800 PolarHBondContact O-N 2.95Å; I786-I800 HydrophobicContact CD1-CD1 3.78Å; I786-I800 HydrophobicContact CG1-CD1 4.36Å; I800-A802 PolarHBondContact O-N 2.66Å; I800-V805 HydrophobicContact CG2-CG1 3.98Å; I800-V805 HydrophobicContact CG2-CG2 4.24Å; I800-V850 HydrophobicContact CD1-CG2 4.27Å |
| 801 | P | 95.6 | Very high | 91.3 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 20% | 0.195 | 25% | 0.245 | C | C | . | . | trans | -57.3 | 136.5 | 172.6 | -23.6 | 33.9 | 0 | 0 | 0 | 111.2 | H803 E804 | P801-H803 VanDerWaalsContact C-N 3.26Å; P801-H803 VanDerWaalsContact CB-CE1 3.5Å; P801-H803 WeakPolarHBondContact CB-CE1 3.15Å; P801-H803 PolarHBondContact O-N 3.12Å; P801-E804 HydrophobicContact CB-CG 4.33Å; P801-E804 WeakPolarHBondContact CD-OE1 3.46Å; P801-E804 HydrophobicContact CG-CG 4.48Å; P801-E804 PolarHBondContact O-N 2.79Å | ||
| 802 | A | 95 | Very high | 92.1 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -59.5 | -35.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I781 I800 E804 V805 L806 F852 | I781-A802 HydrophobicContact CB-CB 4.31Å; I781-A802 HydrophobicContact CG2-CB 3.71Å; I800-A802 PolarHBondContact O-N 2.66Å; A802-E804 VanDerWaalsContact C-N 3.31Å; A802-E804 PolarHBondContact O-N 2.7Å; A802-V805 PolarHBondContact O-N 2.92Å; A802-L806 WeakPolarHBondContact O-CB 3.34Å; A802-L806 PolarHBondContact O-N 3.28Å; A802-L806 VanDerWaalsContact O-N 3.09Å; A802-F852 HydrophobicContact CB-CD1 4.22Å; A802-F852 HydrophobicContact CB-CE1 4.13Å |
| 803 | H | 95.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 9% | 0.088 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -64.6 | -31.5 | -178.7 | 69.1 | -93.2 | 0 | 0 | 0 | 113.1 | L662 N666 M779 P801 V805 L806 G815 | L662-H803 HydrophobicContact CB-CB 4.18Å; L662-H803 HydrophobicContact CD1-CB 4.48Å; L662-H803 HydrophobicContact CD2-CB 4.18Å; L662-H803 HydrophobicContact CG-CB 4.5Å; N666-H803 PolarHBondContact ND2-O 3.41Å; N666-H803 VanDerWaalsContact ND2-O 3.11Å; N666-H803 PolarHBondContact OD1-O 3.39Å; M779-H803 PolarHBondContact SD-ND1 2.84Å; P801-H803 VanDerWaalsContact C-N 3.26Å; P801-H803 VanDerWaalsContact CB-CE1 3.5Å; P801-H803 WeakPolarHBondContact CB-CE1 3.15Å; P801-H803 PolarHBondContact O-N 3.12Å; H803-V805 PolarHBondContact O-N 3.41Å; H803-V805 VanDerWaalsContact O-N 3.16Å; H803-L806 PolarHBondContact O-N 3.35Å; H803-G815 WeakPolarHBondContact O-CA 3.12Å |
| 804 | E | 94.7 | Very high | 93.7 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 23% | 0.234 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -60.7 | -27.6 | 179.5 | -71.8 | -169.5 | -148.8 | 0 | 0 | 112.7 | P801 A802 G815 L816 K817 C818 | P801-E804 HydrophobicContact CB-CG 4.33Å; P801-E804 WeakPolarHBondContact CD-OE1 3.46Å; P801-E804 HydrophobicContact CG-CG 4.48Å; P801-E804 PolarHBondContact O-N 2.79Å; A802-E804 VanDerWaalsContact C-N 3.31Å; A802-E804 PolarHBondContact O-N 2.7Å; E804-G815 CarbonylContact O-C 3.58Å; E804-G815 VanDerWaalsContact O-C 3.24Å; E804-G815 WeakPolarHBondContact O-CA 3.03Å; E804-L816 PolarHBondContact O-N 2.76Å; E804-K817 CarbonylContact O-C 3.43Å; E804-K817 PolarHBondContact O-N 3.45Å; E804-K817 IonicContact OE2-NZ 3.74Å; E804-K817 PolarHBondContact OE2-NZ 3.3Å; E804-C818 PolarHBondContact O-N 2.98Å |
| 805 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -124.1 | 13.4 | -173.8 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | I784 I800 A802 H803 K817 C818 V850 F852 | I784-V805 HydrophobicContact CD1-CG2 3.38Å; I800-V805 HydrophobicContact CG2-CG1 3.98Å; I800-V805 HydrophobicContact CG2-CG2 4.24Å; A802-V805 PolarHBondContact O-N 2.92Å; H803-V805 PolarHBondContact O-N 3.41Å; H803-V805 VanDerWaalsContact O-N 3.16Å; V805-K817 HydrophobicContact CG1-CB 4.34Å; V805-C818 PolarHBondContact O-SG 2.73Å; V805-C818 VanDerWaalsContact O-SG 3.35Å; V805-V850 HydrophobicContact CB-CB 4.24Å; V805-V850 HydrophobicContact CB-CG1 3.79Å; V805-V850 HydrophobicContact CG1-CB 3.83Å; V805-V850 HydrophobicContact CG1-CG1 3.77Å; V805-V850 HydrophobicContact CG2-CG1 3.76Å; V805-F852 HydrophobicContact CG2-CB 4.09Å; V805-F852 PolarHBondContact O-N 2.91Å |
| 806 | L | 96.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -74.9 | 127.9 | 178.9 | -176.2 | 73 | 0 | 0 | 0 | 111 | Y581 L662 A802 H803 G815 F852 | Y581-L806 HydrophobicContact CE1-CD1 4.27Å; L662-L806 HydrophobicContact CB-CD2 3.62Å; L662-L806 HydrophobicContact CD1-CD2 3.78Å; L662-L806 HydrophobicContact CG-CD2 4.32Å; A802-L806 WeakPolarHBondContact O-CB 3.34Å; A802-L806 PolarHBondContact O-N 3.28Å; A802-L806 VanDerWaalsContact O-N 3.09Å; H803-L806 PolarHBondContact O-N 3.35Å; L806-G815 PolarHBondContact O-N 3.35Å; L806-F852 CarbonylContact C-O 3.55Å; L806-F852 VanDerWaalsContact CA-O 3.27Å; L806-F852 WeakPolarHBondContact CA-O 2.97Å; L806-F852 HydrophobicContact CD1-CD1 3.64Å; L806-F852 HydrophobicContact CD1-CE1 3.9Å |
| 807 | Y | 96.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | trans | -79.2 | 140.7 | 173.5 | -176.8 | -97.8 | 0 | 0 | 0 | 111.7 | D809 W851 F852 D857 A860 | Y807-D809 WeakPolarHBondContact CE1-OD1 3.45Å; Y807-D809 PolarHBondContact OH-OD1 2.89Å; Y807-W851 AromaticContact CD1-CZ2 3.93Å; Y807-W851 HydrophobicContact CD1-CZ2 3.93Å; Y807-W851 HydrophobicContact CD2-CZ2 4.33Å; Y807-W851 AromaticContact CD2-NE1 3.23Å; Y807-W851 AromaticContact CG-CE2 3.73Å; Y807-W851 AromaticContact CG-CZ2 3.69Å; Y807-W851 HydrophobicContact CG-CZ2 3.69Å; Y807-W851 AromaticContact CG-NE1 3.39Å; Y807-F852 PolarHBondContact N-O 3.46Å; Y807-D857 HydrophobicContact CD1-CB 3.67Å; Y807-D857 HydrophobicContact CE1-CB 3.66Å; Y807-A860 HydrophobicContact CD2-CB 4.18Å; Y807-A860 HydrophobicContact CE1-CB 3.97Å; Y807-A860 HydrophobicContact CE2-CB 3.43Å; Y807-A860 VanDerWaalsContact CE2-CB 3.43Å; Y807-A860 VanDerWaalsContact OH-CB 3.3Å; Y807-A860 WeakPolarHBondContact OH-CB 3.37Å | ||
| 808 | H | 94.7 | Very high | 94.6 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | trans | -149.3 | 146.4 | 169.3 | -165.7 | -79.8 | 0 | 0 | 0 | 108.7 | N810 Y813 R814 | H808-N810 PolarHBondContact ND1-N 3.06Å; H808-N810 PolarHBondContact ND1-O 2.86Å; H808-Y813 AromaticContact CE1-CD2 3.55Å; H808-Y813 AromaticContact ND1-CD2 3.79Å; H808-Y813 AromaticContact NE2-CD2 3.97Å; H808-R814 HydrophobicContact CB-CB 4.49Å; H808-R814 PolarHBondContact O-NE 2.96Å; H808-R814 PolarHBondContact O-NH2 2.88Å | ||
| 809 | D | 91 | Very high | 94.3 | Very high | 107 Ų | 107 | 40.5 Ų | 40.5 | 57% | 0.572 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -61.5 | -47.2 | 179.5 | -72.6 | -23.6 | 0 | 0 | 0 | 111.1 | Y807 E811 R814 | Y807-D809 WeakPolarHBondContact CE1-OD1 3.45Å; Y807-D809 PolarHBondContact OH-OD1 2.89Å; D809-E811 PolarHBondContact O-N 3Å; D809-R814 PolarHBondContact O-NH2 3.25Å |
| 810 | N | 93.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -69.5 | 123.7 | 168.8 | -170.5 | -3 | 0 | 0 | 0 | 111.3 | H808 D812 Y813 R814 | H808-N810 PolarHBondContact ND1-N 3.06Å; H808-N810 PolarHBondContact ND1-O 2.86Å; N810-D812 VanDerWaalsContact C-N 3.3Å; N810-D812 PolarHBondContact O-N 3.43Å; N810-D812 PolarHBondContact OD1-N 2.81Å; N810-Y813 HydrophobicContact CB-CD2 3.87Å; N810-Y813 HydrophobicContact CB-CE2 4.21Å; N810-Y813 HydrophobicContact CB-CG 4.4Å; N810-Y813 WeakPolarHBondContact ND2-CE2 3.4Å; N810-Y813 PolarHBondContact O-N 2.93Å; N810-R814 PolarHBondContact O-N 2.89Å |
| 811 | E | 90.7 | Very high | 93.8 | Very high | 123 Ų | 123 | 40.9 Ų | 40.9 | 58% | 0.575 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -63.4 | -33.3 | -179.8 | -60.8 | -167.8 | 153.8 | 0 | 0 | 113 | R670 D809 Y813 R814 | R670-E811 PolarHBondContact NE-O 2.91Å; R670-E811 PolarHBondContact NH2-O 3.02Å; D809-E811 PolarHBondContact O-N 3Å; E811-Y813 PolarHBondContact O-N 2.98Å; E811-R814 WeakPolarHBondContact O-CB 3.24Å; E811-R814 PolarHBondContact O-N 3.05Å; E811-R814 VanDerWaalsContact O-N 3.16Å; E811-R814 IonicContact OE1-NH1 2.66Å |
| 812 | D | 92 | Very high | 93.6 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -58.6 | -33.6 | 178.3 | -69.5 | -22 | 0 | 0 | 0 | 112.2 | L667 H712 N810 | L667-D812 VanDerWaalsContact CA-O 3.32Å; L667-D812 WeakPolarHBondContact CA-O 3.46Å; L667-D812 HydrophobicContact CD1-CB 4.22Å; L667-D812 PolarHBondContact N-O 3.31Å; H712-D812 IonicContact CE1-OD1 3.16Å; H712-D812 IonicContact CE1-OD2 3.9Å; H712-D812 PolarHBondContact CE1-OD2 2.83Å; H712-D812 IonicContact CG-OD2 2.73Å; H712-D812 IonicContact ND1-OD1 2.82Å; H712-D812 IonicContact ND1-OD2 3.17Å; H712-D812 PolarHBondContact ND1-OD2 2.94Å; N810-D812 VanDerWaalsContact C-N 3.3Å; N810-D812 PolarHBondContact O-N 3.43Å; N810-D812 PolarHBondContact OD1-N 2.81Å |
| 813 | Y | 95.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 42 Ų | 42 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -98.7 | -5.4 | -176.1 | -51.8 | -25.1 | 0 | 0 | 0 | 112.9 | N666 L667 T713 P715 H808 N810 E811 | N666-Y813 WeakPolarHBondContact CB-O 3.27Å; N666-Y813 PolarHBondContact ND2-O 3.48Å; L667-Y813 HydrophobicContact CB-CD1 4.33Å; L667-Y813 HydrophobicContact CD2-CE1 4.32Å; T713-Y813 WeakPolarHBondContact O-CE1 3.44Å; T713-Y813 PolarHBondContact O-OH 2.78Å; P715-Y813 HydrophobicContact CB-CD2 4.27Å; P715-Y813 HydrophobicContact CB-CE2 4.08Å; P715-Y813 HydrophobicContact CG-CD1 3.67Å; P715-Y813 HydrophobicContact CG-CD2 3.9Å; P715-Y813 HydrophobicContact CG-CE1 3.69Å; P715-Y813 HydrophobicContact CG-CE2 3.92Å; P715-Y813 HydrophobicContact CG-CG 3.81Å; H808-Y813 AromaticContact CE1-CD2 3.55Å; H808-Y813 AromaticContact ND1-CD2 3.79Å; H808-Y813 AromaticContact NE2-CD2 3.97Å; N810-Y813 HydrophobicContact CB-CD2 3.87Å; N810-Y813 HydrophobicContact CB-CE2 4.21Å; N810-Y813 HydrophobicContact CB-CG 4.4Å; N810-Y813 WeakPolarHBondContact ND2-CE2 3.4Å; N810-Y813 PolarHBondContact O-N 2.93Å; E811-Y813 PolarHBondContact O-N 2.98Å |
| 814 | R | 95.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -76.9 | 139.6 | 179.8 | -170.8 | -179.2 | -61.8 | 156.2 | 5.9 | 110.1 | R670 H808 D809 N810 E811 L816 C818 | R670-R814 PolarHBondContact NH2-O 3.5Å; H808-R814 HydrophobicContact CB-CB 4.49Å; H808-R814 PolarHBondContact O-NE 2.96Å; H808-R814 PolarHBondContact O-NH2 2.88Å; D809-R814 PolarHBondContact O-NH2 3.25Å; N810-R814 PolarHBondContact O-N 2.89Å; E811-R814 WeakPolarHBondContact O-CB 3.24Å; E811-R814 PolarHBondContact O-N 3.05Å; E811-R814 VanDerWaalsContact O-N 3.16Å; E811-R814 IonicContact OE1-NH1 2.66Å; R814-L816 PolarHBondContact O-N 3.3Å; R814-C818 HydrophobicContact CG-CB 3.87Å |
| 815 | G | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -56.8 | 135.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N666 H803 E804 L806 K817 C818 | N666-G815 WeakPolarHBondContact ND2-CA 3.4Å; N666-G815 PolarHBondContact ND2-N 3.03Å; N666-G815 VanDerWaalsContact ND2-N 3.19Å; H803-G815 WeakPolarHBondContact O-CA 3.12Å; E804-G815 CarbonylContact O-C 3.58Å; E804-G815 VanDerWaalsContact O-C 3.24Å; E804-G815 WeakPolarHBondContact O-CA 3.03Å; L806-G815 PolarHBondContact O-N 3.35Å; G815-K817 PolarHBondContact O-N 2.91Å; G815-C818 VanDerWaalsContact O-CB 3.25Å; G815-C818 WeakPolarHBondContact O-CB 3.34Å; G815-C818 PolarHBondContact O-N 3.05Å | ||
| 816 | L | 92.6 | Very high | 93.5 | Very high | 65 Ų | 65 | 41.4 Ų | 41.4 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.5 | -174.7 | -74.4 | 170.7 | 0 | 0 | 0 | 113.8 | L669 R670 D673 E804 R814 | L669-L816 HydrophobicContact CB-CD1 4.03Å; R670-L816 HydrophobicContact CB-CD2 4.09Å; R670-L816 HydrophobicContact CG-CD2 4.28Å; D673-L816 HydrophobicContact CB-CD1 4.48Å; E804-L816 PolarHBondContact O-N 2.76Å; R814-L816 PolarHBondContact O-N 3.3Å |
| 817 | K | 92.7 | Very high | 93.2 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 38% | 0.383 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 9.4 | -179.4 | -56.1 | -176.4 | -168.6 | 150.1 | 0 | 113.2 | E804 V805 G815 G819 T820 Q822 | E804-K817 CarbonylContact O-C 3.43Å; E804-K817 PolarHBondContact O-N 3.45Å; E804-K817 IonicContact OE2-NZ 3.74Å; E804-K817 PolarHBondContact OE2-NZ 3.3Å; V805-K817 HydrophobicContact CG1-CB 4.34Å; G815-K817 PolarHBondContact O-N 2.91Å; K817-G819 PolarHBondContact O-N 2.78Å; K817-T820 PolarHBondContact O-N 2.9Å; K817-Q822 VanDerWaalsContact CD-OE1 3.27Å |
| 818 | C | 95.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -67.2 | 119.3 | -179.7 | 176.9 | 0 | 0 | 0 | 0 | 111 | E804 V805 R814 G815 T820 | E804-C818 PolarHBondContact O-N 2.98Å; V805-C818 PolarHBondContact O-SG 2.73Å; V805-C818 VanDerWaalsContact O-SG 3.35Å; R814-C818 HydrophobicContact CG-CB 3.87Å; G815-C818 VanDerWaalsContact O-CB 3.25Å; G815-C818 WeakPolarHBondContact O-CB 3.34Å; G815-C818 PolarHBondContact O-N 3.05Å; C818-T820 PolarHBondContact O-N 2.9Å |
| 819 | G | 90.1 | Very high | 92.3 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 25% | 0.247 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 3.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K817 V849 V850 | K817-G819 PolarHBondContact O-N 2.78Å; G819-V849 VanDerWaalsContact C-CG1 3.42Å; G819-V849 VanDerWaalsContact O-CG1 3.26Å; G819-V849 WeakPolarHBondContact O-CG1 3.46Å; G819-V850 PolarHBondContact N-O 2.93Å |
| 820 | T | 90.1 | Very high | 91.8 | Very high | 46 Ų | 46 | 42 Ų | 42 | 28% | 0.282 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -101.5 | 146.4 | 179.7 | -49.6 | 0 | 0 | 0 | 0 | 110.6 | K817 C818 Q822 D1223 | K817-T820 PolarHBondContact O-N 2.9Å; C818-T820 PolarHBondContact O-N 2.9Å; T820-Q822 PolarHBondContact O-N 2.9Å; T820-D1223 HydrophobicContact CG2-CB 4.33Å; T820-D1223 VanDerWaalsContact CG2-CG 3.41Å; T820-D1223 VanDerWaalsContact CG2-OD2 3.25Å; T820-D1223 WeakPolarHBondContact CG2-OD2 3.47Å |
| 821 | A | 90.7 | Very high | 91 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L588 V849 | L588-A821 HydrophobicContact CD1-CB 4.06Å; A821-V849 HydrophobicContact CB-CG2 4.18Å |
| 822 | Q | 91.5 | Very high | 90 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 150.4 | 179.4 | 59.7 | 179 | -54.1 | 0 | 0 | 111.5 | K817 T820 R847 V848 | K817-Q822 VanDerWaalsContact CD-OE1 3.27Å; T820-Q822 PolarHBondContact O-N 2.9Å; Q822-R847 CarbonylContact O-C 3.46Å; Q822-R847 WeakPolarHBondContact O-CA 3.47Å; Q822-V848 HydrophobicContact CG-CG2 3.95Å; Q822-V848 WeakPolarHBondContact CG-O 3.47Å; Q822-V848 PolarHBondContact N-O 3.49Å; Q822-V848 PolarHBondContact O-N 2.84Å |
| 823 | T | 94.5 | Very high | 88.8 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.7 | 178 | -53.2 | 0 | 0 | 0 | 0 | 109.7 | Q845 L846 P1226 | T823-Q845 HydrophobicContact CG2-CG 3.54Å; T823-L846 CarbonylContact C-O 3.53Å; T823-L846 WeakPolarHBondContact CA-O 3.35Å; T823-P1226 HydrophobicContact CG2-CG 3.82Å; T823-P1226 VanDerWaalsContact OG1-CD 3.25Å; T823-P1226 WeakPolarHBondContact OG1-CD 3.37Å |
| 824 | I | 94.4 | Very high | 87.4 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.046 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.2 | -177.4 | 60.8 | 175.5 | 0 | 0 | 0 | 110.6 | I786 H798 Q845 L846 V848 | I786-I824 HydrophobicContact CD1-CD1 3.54Å; H798-I824 HydrophobicContact CB-CD1 4.49Å; I824-Q845 WeakPolarHBondContact O-CA 3.42Å; I824-L846 HydrophobicContact CD1-CB 4.27Å; I824-L846 HydrophobicContact CD1-CD1 4.27Å; I824-L846 HydrophobicContact CG1-CB 3.8Å; I824-L846 HydrophobicContact CG1-CG 4.45Å; I824-L846 PolarHBondContact N-O 2.96Å; I824-L846 PolarHBondContact O-N 3.32Å; I824-V848 HydrophobicContact CD1-CG2 4.04Å; I824-V848 HydrophobicContact CG1-CG2 4.37Å |
| 825 | N | 94.6 | Very high | 85.8 | Confident | 42 Ų | 42 | 51 Ų | 51 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.7 | 172.2 | -63.5 | -34.4 | 0 | 0 | 0 | 108.7 | H798 I842 Q845 Q1247 | H798-N825 PolarHBondContact ND1-O 3.36Å; N825-I842 HydrophobicContact CB-CD1 4.28Å; N825-I842 HydrophobicContact CB-CG2 4.07Å; N825-Q845 WeakPolarHBondContact OD1-CG 3.37Å; N825-Q845 PolarHBondContact OD1-NE2 3.06Å; N825-Q1247 PolarHBondContact ND2-NE2 2.81Å |
| 826 | L | 94.6 | Very high | 84.1 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | trans | -76.4 | 160.4 | 175.5 | -57.4 | -169.8 | 0 | 0 | 0 | 111.1 | F603 M788 A796 H798 P843 A844 L846 | F603-L826 HydrophobicContact CD1-CD1 4.43Å; F603-L826 HydrophobicContact CE1-CD1 3.98Å; M788-L826 HydrophobicContact CB-CD1 3.58Å; M788-L826 HydrophobicContact CG-CD1 4.35Å; M788-L826 HydrophobicContact SD-CD1 4.2Å; A796-L826 HydrophobicContact CB-CB 4.03Å; A796-L826 HydrophobicContact CB-CD1 4.33Å; H798-L826 HydrophobicContact CB-CD2 3.67Å; L826-P843 VanDerWaalsContact O-CD 3.26Å; L826-P843 WeakPolarHBondContact O-CD 3.39Å; L826-A844 HydrophobicContact CD1-CB 4.01Å; L826-A844 HydrophobicContact CG-CB 4.37Å; L826-A844 PolarHBondContact N-O 3.44Å; L826-L846 HydrophobicContact CD1-CD1 4.21Å; L826-L846 HydrophobicContact CD2-CD1 3.92Å; L826-L846 HydrophobicContact CD2-CG 4.44Å; L826-L846 HydrophobicContact CG-CD1 4.26Å; L826-L846 HydrophobicContact CG-CG 4.41Å | ||
| 827 | K | 90.6 | Very high | 82.6 | Confident | 86 Ų | 86 | 63.5 Ų | 63.5 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -137.1 | 157.1 | 174.4 | 60.5 | -179.5 | -178.8 | 174 | 0 | 111.7 | A796 Y797 | A796-K827 CarbonylContact C-O 3.57Å; A796-K827 VanDerWaalsContact CA-O 3.31Å; A796-K827 WeakPolarHBondContact CA-O 3.06Å; A796-K827 WeakPolarHBondContact CB-O 3.34Å; Y797-K827 HydrophobicContact CD1-CG 4.42Å; Y797-K827 WeakPolarHBondContact CD1-O 3.31Å; Y797-K827 HydrophobicContact CE1-CG 3.98Å; Y797-K827 PolarHBondContact N-O 3.02Å; Y797-K827 PolarHBondContact O-N 2.51Å; Y797-K827 VanDerWaalsContact OH-CE 3.28Å; Y797-K827 WeakPolarHBondContact OH-CE 3.45Å |
| 828 | K | 88.2 | Confident | 80.9 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 32% | 0.317 | 32% | 0.323 | S | S | . | . | trans | -84 | 152 | 173.9 | -60.9 | -175.4 | -164.4 | 163.4 | 0 | 110.5 | T830 E839 P843 | K828-T830 PolarHBondContact O-N 3.37Å; K828-E839 IonicContact NZ-OE1 3.34Å; K828-E839 PolarHBondContact NZ-OE1 3.49Å; K828-E839 IonicContact NZ-OE2 3.97Å; K828-P843 HydrophobicContact CG-CG 3.98Å | ||
| 829 | P | 85.1 | Confident | 79.6 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | trans | -62.5 | 128.4 | 169.7 | -21.4 | 33.3 | 0 | 0 | 0 | 111.7 | P517 Y527 V538 Y797 | P517-P829 HydrophobicContact CG-CG 4.2Å; Y527-P829 HydrophobicContact CD1-CB 4.32Å; Y527-P829 HydrophobicContact CD2-CB 4.29Å; Y527-P829 HydrophobicContact CE1-CB 3.95Å; Y527-P829 WeakPolarHBondContact CE1-O 3.49Å; Y527-P829 HydrophobicContact CE2-CB 3.88Å; Y527-P829 HydrophobicContact CE2-CG 4.39Å; Y527-P829 HydrophobicContact CG-CB 4.48Å; Y527-P829 VanDerWaalsContact CZ-O 3.3Å; Y527-P829 PolarHBondContact OH-O 3Å; V538-P829 HydrophobicContact CG1-CB 3.95Å; V538-P829 HydrophobicContact CG1-CG 4.45Å; V538-P829 HydrophobicContact CG2-CB 4.3Å; V538-P829 HydrophobicContact CG2-CG 4.34Å; Y797-P829 HydrophobicContact CD1-CG 4.15Å; Y797-P829 HydrophobicContact CE1-CG 4.22Å | ||
| 830 | T | 79.9 | Confident | 78.9 | Confident | 50 Ų | 50 | 70.3 Ų | 70.3 | 31% | 0.307 | 34% | 0.343 | S | S | . | . | trans | -132.7 | 142.8 | -177.8 | 39.3 | 0 | 0 | 0 | 0 | 111.7 | K828 | K828-T830 PolarHBondContact O-N 3.37Š| ||
| 831 | L | 76.2 | Confident | 78.6 | Confident | 31 Ų | 31 | 72 Ų | 72 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | trans | -88.4 | 153.4 | 171.1 | -62.3 | 172.6 | 0 | 0 | 0 | 110.3 | K526 Y527 A529 L530 K833 D834 E835 | K526-L831 WeakPolarHBondContact O-CD1 3.43Å; Y527-L831 HydrophobicContact CD1-CD2 4.29Å; Y527-L831 HydrophobicContact CD1-CG 4.16Å; A529-L831 HydrophobicContact CB-CD2 4.23Å; L530-L831 HydrophobicContact CD2-CD2 3.98Å; L530-L831 HydrophobicContact CG-CD2 3.9Å; L831-K833 PolarHBondContact O-N 3.44Å; L831-D834 WeakPolarHBondContact O-CA 3.33Å; L831-D834 PolarHBondContact O-N 2.82Å; L831-E835 PolarHBondContact O-N 3.03Å; L831-E835 VanDerWaalsContact O-N 3.13Å | ||
| 832 | L | 69.1 | Low | 78.4 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -33.8 | 175.1 | -91.2 | 154.2 | 0 | 0 | 0 | 114 | K534 D834 | K534-L832 VanDerWaalsContact C-CD1 3.47Å; L832-D834 VanDerWaalsContact C-N 3.35Å |
| 833 | K | 67.6 | Low | 78.4 | Confident | 194 Ų | 194 | 72.2 Ų | 72.2 | 84% | 0.843 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -27.6 | 177.9 | -64.3 | -176.1 | 178.6 | -176.1 | 0 | 113.2 | L831 | L831-K833 PolarHBondContact O-N 3.44Š|
| 834 | D | 66.6 | Low | 78.3 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -12.5 | -178.1 | -67.4 | -50.9 | 0 | 0 | 0 | 112.8 | L831 L832 K836 K837 | L831-D834 WeakPolarHBondContact O-CA 3.33Å; L831-D834 PolarHBondContact O-N 2.82Å; L832-D834 VanDerWaalsContact C-N 3.35Å; D834-K836 PolarHBondContact O-N 3.45Å; D834-K837 HydrophobicContact CB-CD 4.46Å; D834-K837 WeakPolarHBondContact O-CB 3.32Å; D834-K837 PolarHBondContact O-N 3.01Å; D834-K837 WeakPolarHBondContact OD1-CE 3.26Å; D834-K837 IonicContact OD1-NZ 3.64Å; D834-K837 PolarHBondContact OD1-NZ 3.03Å |
| 835 | E | 61.4 | Low | 78.4 | Confident | 112 Ų | 112 | 70.2 Ų | 70.2 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.6 | 178.2 | -73.6 | -171.3 | 165.1 | 0 | 0 | 113.6 | L831 | L831-E835 PolarHBondContact O-N 3.03Å; L831-E835 VanDerWaalsContact O-N 3.13Å |
| 836 | K | 59.8 | Low | 78.5 | Confident | 194 Ų | 194 | 68.3 Ų | 68.3 | 84% | 0.843 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.4 | 174.2 | -64.5 | -171.1 | 177.8 | -172.1 | 0 | 113.9 | D834 | D834-K836 PolarHBondContact O-N 3.45Š|
| 837 | K | 62.3 | Low | 78.5 | Confident | 137 Ų | 137 | 68.7 Ų | 68.7 | 60% | 0.596 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -76.3 | 131.5 | 176.8 | -72.6 | 176.4 | 178.2 | 158.6 | 0 | 109.4 | D834 E839 | D834-K837 HydrophobicContact CB-CD 4.46Å; D834-K837 WeakPolarHBondContact O-CB 3.32Å; D834-K837 PolarHBondContact O-N 3.01Å; D834-K837 WeakPolarHBondContact OD1-CE 3.26Å; D834-K837 IonicContact OD1-NZ 3.64Å; D834-K837 PolarHBondContact OD1-NZ 3.03Å; K837-E839 PolarHBondContact O-N 3.28Å |
| 838 | P | 56.8 | Low | 78.7 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 62% | 0.617 | 31% | 0.308 | S | S | * | . | trans | -75.3 | 83.6 | -176.7 | 29.7 | -34.2 | 0 | 0 | 0 | 111.3 | ||||
| 839 | E | 66.7 | Low | 79 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | trans | -93.1 | 101.4 | 160.2 | -79.5 | -158.7 | 139.6 | 0 | 0 | 109.3 | K828 K837 | K828-E839 IonicContact NZ-OE1 3.34Å; K828-E839 PolarHBondContact NZ-OE1 3.49Å; K828-E839 IonicContact NZ-OE2 3.97Å; K837-E839 PolarHBondContact O-N 3.28Å | ||
| 840 | W | 76.5 | Confident | 79.6 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | trans | -91.3 | -22.7 | 177.3 | 66 | -93.7 | 0 | 0 | 0 | 112.9 | I842 F1232 F1242 R1245 | W840-I842 PolarHBondContact O-N 3.31Å; W840-F1232 HydrophobicContact CE3-CZ 4.46Å; W840-F1232 AromaticContact CH2-CE1 3.43Å; W840-F1232 HydrophobicContact CH2-CE1 3.43Å; W840-F1232 VanDerWaalsContact CH2-CE1 3.43Å; W840-F1232 AromaticContact CH2-CZ 3.47Å; W840-F1232 HydrophobicContact CH2-CZ 3.47Å; W840-F1232 VanDerWaalsContact CH2-CZ 3.47Å; W840-F1232 AromaticContact CZ2-CE1 3.78Å; W840-F1232 HydrophobicContact CZ2-CE1 3.78Å; W840-F1232 HydrophobicContact CZ2-CZ 4.29Å; W840-F1232 AromaticContact CZ3-CE1 3.86Å; W840-F1232 HydrophobicContact CZ3-CE1 3.86Å; W840-F1232 AromaticContact CZ3-CZ 3.58Å; W840-F1232 HydrophobicContact CZ3-CZ 3.58Å; W840-F1242 HydrophobicContact CB-CD1 3.43Å; W840-F1242 VanDerWaalsContact CB-CD1 3.43Å; W840-F1242 HydrophobicContact CB-CE1 3.58Å; W840-F1242 HydrophobicContact CB-CG 3.96Å; W840-F1242 HydrophobicContact CB-CZ 4.22Å; W840-F1242 HydrophobicContact CD2-CB 3.75Å; W840-F1242 HydrophobicContact CD2-CD1 4.06Å; W840-F1242 AromaticContact CD2-CD2 3.81Å; W840-F1242 HydrophobicContact CD2-CD2 3.81Å; W840-F1242 HydrophobicContact CD2-CE2 4.38Å; W840-F1242 AromaticContact CD2-CG 3.6Å; W840-F1242 HydrophobicContact CD2-CG 3.6Å; W840-F1242 HydrophobicContact CE3-CB 4.32Å; W840-F1242 HydrophobicContact CE3-CD1 4.41Å; W840-F1242 AromaticContact CE3-CD2 3.52Å; W840-F1242 HydrophobicContact CE3-CD2 3.52Å; W840-F1242 AromaticContact CE3-CE2 3.81Å; W840-F1242 HydrophobicContact CE3-CE2 3.81Å; W840-F1242 AromaticContact CE3-CG 3.84Å; W840-F1242 HydrophobicContact CE3-CG 3.84Å; W840-F1242 HydrophobicContact CE3-CZ 4.36Å; W840-F1242 HydrophobicContact CG-CB 3.83Å; W840-F1242 AromaticContact CG-CD1 3.63Å; W840-F1242 HydrophobicContact CG-CD1 3.63Å; W840-F1242 HydrophobicContact CG-CD2 4.28Å; W840-F1242 HydrophobicContact CG-CE1 4.21Å; W840-F1242 AromaticContact CG-CG 3.65Å; W840-F1242 HydrophobicContact CG-CG 3.65Å; W840-F1242 HydrophobicContact CZ2-CB 4.39Å; W840-F1242 HydrophobicContact CZ3-CD2 4Å; W840-F1242 HydrophobicContact CZ3-CE2 4.38Å; W840-R1245 PolarHBondContact O-NH2 2.93Å | ||
| 841 | K | 83.3 | Confident | 80.4 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 35% | 0.352 | 28% | 0.277 | S | S | . | . | trans | -71 | 134.6 | -173.1 | -64.8 | -168.5 | -179.4 | -165.4 | 0 | 112.8 | E594 | E594-K841 WeakPolarHBondContact OE1-CD 3.49Å; E594-K841 IonicContact OE1-NZ 3.7Å; E594-K841 PolarHBondContact OE1-NZ 2.85Å | ||
| 842 | I | 87.3 | Confident | 81.4 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | trans | -82 | 125.7 | 169.2 | -65.5 | 168.1 | 0 | 0 | 0 | 108.2 | N825 W840 A844 M1228 R1245 | N825-I842 HydrophobicContact CB-CD1 4.28Å; N825-I842 HydrophobicContact CB-CG2 4.07Å; W840-I842 PolarHBondContact O-N 3.31Å; I842-A844 VanDerWaalsContact CG2-O 3.3Å; I842-A844 WeakPolarHBondContact CG2-O 3.14Å; I842-M1228 HydrophobicContact CD1-CE 3.8Å; I842-R1245 VanDerWaalsContact CG1-NH1 3.34Å | ||
| 843 | P | 90.6 | Very high | 82.6 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -63.7 | -41.3 | 177.7 | -25 | 35.5 | 0 | 0 | 0 | 114.1 | M788 A796 L826 K828 | M788-P843 HydrophobicContact SD-CB 4.33Å; A796-P843 HydrophobicContact CB-CB 3.63Å; A796-P843 HydrophobicContact CB-CG 3.83Å; L826-P843 VanDerWaalsContact O-CD 3.26Å; L826-P843 WeakPolarHBondContact O-CD 3.39Å; K828-P843 HydrophobicContact CG-CG 3.98Å |
| 844 | A | 93.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -162.8 | 151.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I593 M788 L826 I842 L846 | I593-A844 HydrophobicContact CG1-CB 3.96Å; M788-A844 HydrophobicContact CE-CB 4.35Å; M788-A844 HydrophobicContact SD-CB 4Å; L826-A844 HydrophobicContact CD1-CB 4.01Å; L826-A844 HydrophobicContact CG-CB 4.37Å; L826-A844 PolarHBondContact N-O 3.44Å; I842-A844 VanDerWaalsContact CG2-O 3.3Å; I842-A844 WeakPolarHBondContact CG2-O 3.14Å; A844-L846 HydrophobicContact CB-CD2 4.42Å | ||
| 845 | Q | 95.3 | Very high | 85 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.8 | 168.7 | 176.9 | 173.7 | 90.2 | 0 | 0 | 109.2 | A590 T591 M592 T823 I824 N825 M1228 | A590-Q845 WeakPolarHBondContact CA-O 3.17Å; T591-Q845 PolarHBondContact N-O 2.87Å; T591-Q845 PolarHBondContact O-N 2.88Å; M592-Q845 HydrophobicContact CB-CB 3.99Å; M592-Q845 HydrophobicContact CG-CB 4.11Å; T823-Q845 HydrophobicContact CG2-CG 3.54Å; I824-Q845 WeakPolarHBondContact O-CA 3.42Å; N825-Q845 WeakPolarHBondContact OD1-CG 3.37Å; N825-Q845 PolarHBondContact OD1-NE2 3.06Å; Q845-M1228 PolarHBondContact NE2-SD 3.05Å |
| 846 | L | 96.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.3 | -178.9 | -48.1 | 179.2 | 0 | 0 | 0 | 110 | F587 A590 F603 I786 T823 I824 L826 A844 V848 | F587-L846 HydrophobicContact CE1-CD1 4.19Å; A590-L846 HydrophobicContact CB-CD2 3.61Å; F603-L846 HydrophobicContact CD1-CD1 3.91Å; F603-L846 HydrophobicContact CD1-CD2 4.24Å; F603-L846 HydrophobicContact CD2-CD2 4.27Å; F603-L846 HydrophobicContact CE1-CD1 3.96Å; F603-L846 HydrophobicContact CE1-CD2 3.59Å; F603-L846 HydrophobicContact CE1-CG 4.34Å; F603-L846 HydrophobicContact CE2-CD2 3.62Å; F603-L846 HydrophobicContact CG-CD1 4.33Å; F603-L846 HydrophobicContact CZ-CD1 4.42Å; F603-L846 HydrophobicContact CZ-CD2 3.25Å; F603-L846 HydrophobicContact CZ-CG 4.43Å; I786-L846 HydrophobicContact CG2-CD1 3.85Å; T823-L846 CarbonylContact C-O 3.53Å; T823-L846 WeakPolarHBondContact CA-O 3.35Å; I824-L846 HydrophobicContact CD1-CB 4.27Å; I824-L846 HydrophobicContact CD1-CD1 4.27Å; I824-L846 HydrophobicContact CG1-CB 3.8Å; I824-L846 HydrophobicContact CG1-CG 4.45Å; I824-L846 PolarHBondContact N-O 2.96Å; I824-L846 PolarHBondContact O-N 3.32Å; L826-L846 HydrophobicContact CD1-CD1 4.21Å; L826-L846 HydrophobicContact CD2-CD1 3.92Å; L826-L846 HydrophobicContact CD2-CG 4.44Å; L826-L846 HydrophobicContact CG-CD1 4.26Å; L826-L846 HydrophobicContact CG-CG 4.41Å; A844-L846 HydrophobicContact CB-CD2 4.42Å; L846-V848 HydrophobicContact CB-CG1 4.05Å |
| 847 | R | 95.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 6% | 0.057 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 115.2 | 166 | -170.5 | 169 | 168.4 | 99.5 | -7.4 | 108.4 | L588 S589 Q822 D1223 P1225 | L588-R847 HydrophobicContact CB-CB 4.42Å; L588-R847 HydrophobicContact CB-CG 4.31Å; L588-R847 WeakPolarHBondContact CB-O 3.12Å; L588-R847 HydrophobicContact CD1-CG 4.27Å; L588-R847 PolarHBondContact N-O 3.16Å; S589-R847 PolarHBondContact N-O 2.73Å; S589-R847 PolarHBondContact O-N 2.96Å; S589-R847 WeakPolarHBondContact OG-CB 3.41Å; Q822-R847 CarbonylContact O-C 3.46Å; Q822-R847 WeakPolarHBondContact O-CA 3.47Å; R847-D1223 PolarHBondContact NH1-O 2.97Å; R847-D1223 PolarHBondContact NH2-O 3.08Å; R847-P1225 VanDerWaalsContact CZ-CG 3.46Å |
| 848 | V | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.3 | -170.3 | -64 | 0 | 0 | 0 | 0 | 111.3 | V585 A586 F587 Q822 I824 L846 V850 | V585-V848 HydrophobicContact CG1-CB 4.16Å; V585-V848 HydrophobicContact CG1-CG1 4.3Å; A586-V848 CarbonylContact O-C 3.49Å; A586-V848 VanDerWaalsContact O-CA 3.23Å; A586-V848 WeakPolarHBondContact O-CA 3.25Å; F587-V848 HydrophobicContact CD1-CG1 3.72Å; F587-V848 HydrophobicContact CE1-CG1 4.08Å; F587-V848 HydrophobicContact CG-CG1 4.19Å; Q822-V848 HydrophobicContact CG-CG2 3.95Å; Q822-V848 WeakPolarHBondContact CG-O 3.47Å; Q822-V848 PolarHBondContact N-O 3.49Å; Q822-V848 PolarHBondContact O-N 2.84Å; I824-V848 HydrophobicContact CD1-CG2 4.04Å; I824-V848 HydrophobicContact CG1-CG2 4.37Å; L846-V848 HydrophobicContact CB-CG1 4.05Å; V848-V850 HydrophobicContact CB-CG2 4.34Å; V848-V850 HydrophobicContact CG2-CG2 3.84Å |
| 849 | V | 94.5 | Very high | 90.3 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.2 | 164.1 | -170.8 | 0 | 0 | 0 | 0 | 106.9 | V585 A586 L588 G819 A821 W861 | V585-V849 CarbonylContact C-O 3.52Å; V585-V849 VanDerWaalsContact CA-O 3.31Å; V585-V849 WeakPolarHBondContact CA-O 3.09Å; A586-V849 HydrophobicContact CB-CB 4.34Å; A586-V849 PolarHBondContact N-O 3.29Å; A586-V849 PolarHBondContact O-N 3.19Å; L588-V849 HydrophobicContact CD1-CG2 3.83Å; L588-V849 HydrophobicContact CD2-CG2 4.35Å; L588-V849 HydrophobicContact CG-CG2 4.17Å; G819-V849 VanDerWaalsContact C-CG1 3.42Å; G819-V849 VanDerWaalsContact O-CG1 3.26Å; G819-V849 WeakPolarHBondContact O-CG1 3.46Å; A821-V849 HydrophobicContact CB-CG2 4.18Å; V849-W861 HydrophobicContact CB-CH2 4.25Å; V849-W861 HydrophobicContact CB-CZ3 4.4Å; V849-W861 HydrophobicContact CG1-CH2 4.15Å; V849-W861 HydrophobicContact CG1-CZ3 3.82Å |
| 850 | V | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.3 | -175.5 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | L583 Y584 V585 I784 I800 V805 G819 V848 | L583-V850 HydrophobicContact CD1-CG1 3.93Å; Y584-V850 WeakPolarHBondContact O-CA 3.13Å; V585-V850 HydrophobicContact CG1-CG2 4.09Å; V585-V850 HydrophobicContact CG2-CG1 4.16Å; V585-V850 HydrophobicContact CG2-CG2 4.29Å; I784-V850 HydrophobicContact CD1-CG1 4.35Å; I800-V850 HydrophobicContact CD1-CG2 4.27Å; V805-V850 HydrophobicContact CB-CB 4.24Å; V805-V850 HydrophobicContact CB-CG1 3.79Å; V805-V850 HydrophobicContact CG1-CB 3.83Å; V805-V850 HydrophobicContact CG1-CG1 3.77Å; V805-V850 HydrophobicContact CG2-CG1 3.76Å; G819-V850 PolarHBondContact N-O 2.93Å; V848-V850 HydrophobicContact CB-CG2 4.34Å; V848-V850 HydrophobicContact CG2-CG2 3.84Å |
| 851 | W | 96.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127.9 | 176.1 | -178.6 | 101.3 | 0 | 0 | 0 | 109.1 | Q582 L583 Y584 Y807 G853 D857 W861 | Q582-W851 HydrophobicContact CB-CZ3 4.33Å; Q582-W851 WeakPolarHBondContact O-CZ3 3.29Å; L583-W851 WeakPolarHBondContact CA-O 3.34Å; Y584-W851 AromaticContact CD2-CE3 3.77Å; Y584-W851 HydrophobicContact CD2-CE3 3.77Å; Y584-W851 HydrophobicContact CD2-CZ3 4.07Å; Y584-W851 HydrophobicContact CE2-CZ3 4.39Å; Y584-W851 PolarHBondContact N-O 2.76Å; Y584-W851 PolarHBondContact O-N 3.22Å; Y807-W851 AromaticContact CD1-CZ2 3.93Å; Y807-W851 HydrophobicContact CD1-CZ2 3.93Å; Y807-W851 HydrophobicContact CD2-CZ2 4.33Å; Y807-W851 AromaticContact CD2-NE1 3.23Å; Y807-W851 AromaticContact CG-CE2 3.73Å; Y807-W851 AromaticContact CG-CZ2 3.69Å; Y807-W851 HydrophobicContact CG-CZ2 3.69Å; Y807-W851 AromaticContact CG-NE1 3.39Å; W851-G853 VanDerWaalsContact CZ3-N 3.35Å; W851-D857 HydrophobicContact CZ2-CB 4.35Å; W851-D857 WeakPolarHBondContact CZ2-O 3.19Å; W851-W861 HydrophobicContact CB-CD2 4.32Å; W851-W861 HydrophobicContact CB-CE3 3.34Å; W851-W861 HydrophobicContact CB-CZ3 3.7Å; W851-W861 HydrophobicContact CD2-CB 4.12Å; W851-W861 HydrophobicContact CG-CB 4.29Å; W851-W861 AromaticContact CG-CE3 3.85Å; W851-W861 HydrophobicContact CG-CE3 3.85Å |
| 852 | F | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 121.8 | 176.8 | 177.7 | -118.1 | 0 | 0 | 0 | 109.3 | Y581 L583 I607 W655 I781 I784 A802 V805 L806 Y807 | Y581-F852 AromaticContact CD1-CE1 3.97Å; Y581-F852 HydrophobicContact CD1-CE1 3.97Å; Y581-F852 AromaticContact CD1-CE2 3.97Å; Y581-F852 HydrophobicContact CD1-CE2 3.97Å; Y581-F852 AromaticContact CD1-CZ 3.6Å; Y581-F852 HydrophobicContact CD1-CZ 3.6Å; Y581-F852 HydrophobicContact CE1-CE1 4.34Å; Y581-F852 HydrophobicContact CE1-CZ 4.33Å; Y581-F852 HydrophobicContact CG-CE2 4.09Å; Y581-F852 AromaticContact CG-CZ 3.86Å; Y581-F852 HydrophobicContact CG-CZ 3.86Å; L583-F852 HydrophobicContact CB-CD2 4.04Å; L583-F852 HydrophobicContact CD1-CB 4.11Å; L583-F852 HydrophobicContact CD1-CD2 4.44Å; I607-F852 HydrophobicContact CD1-CD2 4.31Å; I607-F852 HydrophobicContact CD1-CE1 4.37Å; I607-F852 HydrophobicContact CD1-CE2 3.7Å; I607-F852 HydrophobicContact CD1-CZ 3.74Å; W655-F852 AromaticContact CD1-CZ 3.91Å; I781-F852 HydrophobicContact CD1-CE1 4.19Å; I781-F852 HydrophobicContact CG2-CE1 3.96Å; I781-F852 HydrophobicContact CG2-CZ 3.98Å; I784-F852 HydrophobicContact CD1-CB 4.35Å; A802-F852 HydrophobicContact CB-CD1 4.22Å; A802-F852 HydrophobicContact CB-CE1 4.13Å; V805-F852 HydrophobicContact CG2-CB 4.09Å; V805-F852 PolarHBondContact O-N 2.91Å; L806-F852 CarbonylContact C-O 3.55Å; L806-F852 VanDerWaalsContact CA-O 3.27Å; L806-F852 WeakPolarHBondContact CA-O 2.97Å; L806-F852 HydrophobicContact CD1-CD1 3.64Å; L806-F852 HydrophobicContact CD1-CE1 3.9Å; Y807-F852 PolarHBondContact N-O 3.46Å |
| 853 | G | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y581 Q582 W851 | Y581-G853 CarbonylContact C-O 3.49Å; Y581-G853 VanDerWaalsContact CA-O 3.25Å; Y581-G853 WeakPolarHBondContact CA-O 3.14Å; Y581-G853 WeakPolarHBondContact CD1-O 3.33Å; Q582-G853 PolarHBondContact N-O 3.02Å; Q582-G853 PolarHBondContact O-N 2.52Å; Q582-G853 VanDerWaalsContact O-N 3.09Å; W851-G853 VanDerWaalsContact CZ3-N 3.35Å |
| 854 | L | 94.4 | Very high | 90.8 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 146.3 | 176.2 | -68.5 | 167.8 | 0 | 0 | 0 | 110.3 | R579 Y581 K856 D857 | R579-L854 HydrophobicContact CB-CD2 3.73Å; R579-L854 HydrophobicContact CG-CD2 4.47Å; Y581-L854 HydrophobicContact CD1-CD2 4.19Å; Y581-L854 HydrophobicContact CD1-CG 4.48Å; Y581-L854 HydrophobicContact CD2-CD2 4.05Å; Y581-L854 HydrophobicContact CE1-CD2 3.74Å; Y581-L854 HydrophobicContact CE1-CG 3.96Å; Y581-L854 HydrophobicContact CE2-CD2 3.59Å; Y581-L854 HydrophobicContact CG-CD2 4.32Å; Y581-L854 VanDerWaalsContact CZ-CD2 3.4Å; L854-K856 HydrophobicContact CB-CG 3.88Å; L854-K856 PolarHBondContact O-N 3.08Å; L854-K856 VanDerWaalsContact O-N 3.1Å; L854-D857 WeakPolarHBondContact CB-OD2 3.38Å; L854-D857 PolarHBondContact O-N 3.01Å |
| 855 | E | 90.1 | Very high | 90.1 | Very high | 48 Ų | 48 | 31.2 Ų | 31.2 | 22% | 0.224 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -54.7 | -32.1 | 179.3 | -176.9 | -174.5 | -133.3 | 0 | 0 | 112.6 | K580 Q582 D857 R858 | K580-E855 HydrophobicContact CB-CB 3.97Å; K580-E855 WeakPolarHBondContact CD-OE2 3.15Å; K580-E855 IonicContact NZ-OE1 3.22Å; K580-E855 IonicContact NZ-OE2 3.45Å; K580-E855 PolarHBondContact O-N 3.41Å; Q582-E855 HydrophobicContact CG-CB 4.24Å; Q582-E855 HydrophobicContact CG-CG 4.37Å; E855-D857 VanDerWaalsContact C-N 3.26Å; E855-D857 PolarHBondContact O-N 3.27Å; E855-R858 VanDerWaalsContact O-CD 3.3Å; E855-R858 WeakPolarHBondContact O-CD 3.38Å; E855-R858 VanDerWaalsContact O-CG 3.28Å; E855-R858 WeakPolarHBondContact O-CG 3.36Å |
| 856 | K | 88.7 | Confident | 89 | Confident | 119 Ų | 119 | 37.6 Ų | 37.6 | 52% | 0.517 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -65.2 | -26.6 | 176.5 | 57.2 | 158.3 | -164 | 179.8 | 0 | 113.7 | L854 | L854-K856 HydrophobicContact CB-CG 3.88Å; L854-K856 PolarHBondContact O-N 3.08Å; L854-K856 VanDerWaalsContact O-N 3.1Å |
| 857 | D | 91.5 | Very high | 88 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -99.4 | 3.6 | -171.7 | -54.2 | -32.1 | 0 | 0 | 0 | 112.4 | Y807 W851 L854 E855 T859 A860 | Y807-D857 HydrophobicContact CD1-CB 3.67Å; Y807-D857 HydrophobicContact CE1-CB 3.66Å; W851-D857 HydrophobicContact CZ2-CB 4.35Å; W851-D857 WeakPolarHBondContact CZ2-O 3.19Å; L854-D857 WeakPolarHBondContact CB-OD2 3.38Å; L854-D857 PolarHBondContact O-N 3.01Å; E855-D857 VanDerWaalsContact C-N 3.26Å; E855-D857 PolarHBondContact O-N 3.27Å; D857-T859 PolarHBondContact O-N 2.97Å; D857-A860 VanDerWaalsContact O-CB 3.27Å; D857-A860 WeakPolarHBondContact O-CB 3.22Å; D857-A860 PolarHBondContact O-N 3.48Å |
| 858 | R | 85.7 | Confident | 87.4 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 11% | 0.109 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -22.5 | -179.7 | 71.2 | -175.2 | -174.9 | 167.2 | 6 | 114.6 | E855 A860 W861 T862 E1113 T1114 | E855-R858 VanDerWaalsContact O-CD 3.3Å; E855-R858 WeakPolarHBondContact O-CD 3.38Å; E855-R858 VanDerWaalsContact O-CG 3.28Å; E855-R858 WeakPolarHBondContact O-CG 3.36Å; R858-A860 PolarHBondContact O-N 2.87Å; R858-W861 WeakPolarHBondContact O-CB 3.03Å; R858-W861 PolarHBondContact O-N 3.1Å; R858-W861 VanDerWaalsContact O-N 3.08Å; R858-T862 PolarHBondContact O-N 2.88Å; R858-E1113 PolarHBondContact NH1-O 3.13Å; R858-T1114 VanDerWaalsContact NH2-CG2 3.34Å |
| 859 | T | 85.5 | Confident | 86.8 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -30 | 177.2 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | D857 W861 T862 E863 | D857-T859 PolarHBondContact O-N 2.97Å; T859-W861 VanDerWaalsContact C-N 3.3Å; T859-W861 PolarHBondContact O-N 3.38Å; T859-T862 PolarHBondContact O-N 3.15Å; T859-T862 VanDerWaalsContact O-N 3.14Å; T859-E863 WeakPolarHBondContact O-CB 3.38Å; T859-E863 VanDerWaalsContact O-CG 3.27Å; T859-E863 WeakPolarHBondContact O-CG 3.47Å; T859-E863 PolarHBondContact O-N 2.88Å |
| 860 | A | 87.8 | Confident | 86.3 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y807 D857 R858 S864 | Y807-A860 HydrophobicContact CD2-CB 4.18Å; Y807-A860 HydrophobicContact CE1-CB 3.97Å; Y807-A860 HydrophobicContact CE2-CB 3.43Å; Y807-A860 VanDerWaalsContact CE2-CB 3.43Å; Y807-A860 VanDerWaalsContact OH-CB 3.3Å; Y807-A860 WeakPolarHBondContact OH-CB 3.37Å; D857-A860 VanDerWaalsContact O-CB 3.27Å; D857-A860 WeakPolarHBondContact O-CB 3.22Å; D857-A860 PolarHBondContact O-N 3.48Å; R858-A860 PolarHBondContact O-N 2.87Å; A860-S864 VanDerWaalsContact O-CB 3.3Å; A860-S864 WeakPolarHBondContact O-CB 3.35Å; A860-S864 PolarHBondContact O-N 3.33Å; A860-S864 VanDerWaalsContact O-N 3.1Å; A860-S864 PolarHBondContact O-OG 2.8Å |
| 861 | W | 87.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 171.5 | 168.4 | -99.2 | 0 | 0 | 0 | 111.3 | Y584 A586 V849 W851 R858 T859 S864 H865 M1147 | Y584-W861 AromaticContact CD1-CD1 3.9Å; Y584-W861 HydrophobicContact CD1-CG 4.43Å; Y584-W861 AromaticContact CD1-NE1 3.62Å; Y584-W861 HydrophobicContact CD2-CB 4.43Å; Y584-W861 HydrophobicContact CD2-CD2 4.45Å; Y584-W861 HydrophobicContact CD2-CG 4.08Å; Y584-W861 AromaticContact CG-CD1 3.9Å; Y584-W861 AromaticContact CG-CD2 4Å; Y584-W861 HydrophobicContact CG-CD2 4Å; Y584-W861 AromaticContact CG-CE2 3.92Å; Y584-W861 AromaticContact CG-CG 3.99Å; Y584-W861 HydrophobicContact CG-CG 3.99Å; Y584-W861 AromaticContact CG-NE1 3.86Å; A586-W861 HydrophobicContact CB-CH2 3.88Å; A586-W861 HydrophobicContact CB-CZ2 4.12Å; V849-W861 HydrophobicContact CB-CH2 4.25Å; V849-W861 HydrophobicContact CB-CZ3 4.4Å; V849-W861 HydrophobicContact CG1-CH2 4.15Å; V849-W861 HydrophobicContact CG1-CZ3 3.82Å; W851-W861 HydrophobicContact CB-CD2 4.32Å; W851-W861 HydrophobicContact CB-CE3 3.34Å; W851-W861 HydrophobicContact CB-CZ3 3.7Å; W851-W861 HydrophobicContact CD2-CB 4.12Å; W851-W861 HydrophobicContact CG-CB 4.29Å; W851-W861 AromaticContact CG-CE3 3.85Å; W851-W861 HydrophobicContact CG-CE3 3.85Å; R858-W861 WeakPolarHBondContact O-CB 3.03Å; R858-W861 PolarHBondContact O-N 3.1Å; R858-W861 VanDerWaalsContact O-N 3.08Å; T859-W861 VanDerWaalsContact C-N 3.3Å; T859-W861 PolarHBondContact O-N 3.38Å; W861-S864 WeakPolarHBondContact CA-OG 3.18Å; W861-S864 PolarHBondContact O-N 2.99Å; W861-S864 PolarHBondContact O-OG 3.21Å; W861-H865 AromaticContact CD2-CE1 3.91Å; W861-H865 AromaticContact CD2-ND1 3.98Å; W861-H865 AromaticContact CE3-CE1 3.45Å; W861-H865 VanDerWaalsContact CE3-CE1 3.45Å; W861-H865 AromaticContact CE3-ND1 3.95Å; W861-H865 AromaticContact CH2-CE1 3.48Å; W861-H865 VanDerWaalsContact CH2-CE1 3.48Å; W861-H865 WeakPolarHBondContact CH2-CE1 3.39Å; W861-H865 AromaticContact CH2-NE2 3.73Å; W861-H865 AromaticContact CZ2-CE1 3.9Å; W861-H865 AromaticContact CZ3-CE1 3.24Å; W861-H865 WeakPolarHBondContact CZ3-CE1 3.35Å; W861-H865 AromaticContact CZ3-NE2 3.85Å; W861-H865 PolarHBondContact O-ND1 2.71Å; W861-M1147 HydrophobicContact CZ2-CE 4.47Å |
| 862 | T | 79.7 | Confident | 85.5 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | -178.7 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | R858 T859 H865 | R858-T862 PolarHBondContact O-N 2.88Å; T859-T862 PolarHBondContact O-N 3.15Å; T859-T862 VanDerWaalsContact O-N 3.14Å; T862-H865 PolarHBondContact O-N 2.87Å |
| 863 | E | 81.4 | Confident | 85.1 | Confident | 129 Ų | 129 | 51.5 Ų | 51.5 | 60% | 0.603 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -72.4 | -26.8 | -179.3 | -71.7 | 171.5 | -171.8 | 0 | 0 | 113.2 | T859 H865 N866 | T859-E863 WeakPolarHBondContact O-CB 3.38Å; T859-E863 VanDerWaalsContact O-CG 3.27Å; T859-E863 WeakPolarHBondContact O-CG 3.47Å; T859-E863 PolarHBondContact O-N 2.88Å; E863-H865 PolarHBondContact O-N 3.17Å; E863-N866 PolarHBondContact O-ND2 3.49Å; E863-N866 PolarHBondContact O-OD1 2.9Å |
| 864 | S | 78.6 | Confident | 85 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 46% | 0.462 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.9 | -13.2 | 175.8 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | A860 W861 | A860-S864 VanDerWaalsContact O-CB 3.3Å; A860-S864 WeakPolarHBondContact O-CB 3.35Å; A860-S864 PolarHBondContact O-N 3.33Å; A860-S864 VanDerWaalsContact O-N 3.1Å; A860-S864 PolarHBondContact O-OG 2.8Å; W861-S864 WeakPolarHBondContact CA-OG 3.18Å; W861-S864 PolarHBondContact O-N 2.99Å; W861-S864 PolarHBondContact O-OG 3.21Å |
| 865 | H | 77.7 | Confident | 84.8 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 13% | 0.13 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 46.4 | -174.5 | -62.6 | 85 | 0 | 0 | 0 | 113.5 | W861 T862 E863 E867 A868 M1147 | W861-H865 AromaticContact CD2-CE1 3.91Å; W861-H865 AromaticContact CD2-ND1 3.98Å; W861-H865 AromaticContact CE3-CE1 3.45Å; W861-H865 VanDerWaalsContact CE3-CE1 3.45Å; W861-H865 AromaticContact CE3-ND1 3.95Å; W861-H865 AromaticContact CH2-CE1 3.48Å; W861-H865 VanDerWaalsContact CH2-CE1 3.48Å; W861-H865 WeakPolarHBondContact CH2-CE1 3.39Å; W861-H865 AromaticContact CH2-NE2 3.73Å; W861-H865 AromaticContact CZ2-CE1 3.9Å; W861-H865 AromaticContact CZ3-CE1 3.24Å; W861-H865 WeakPolarHBondContact CZ3-CE1 3.35Å; W861-H865 AromaticContact CZ3-NE2 3.85Å; W861-H865 PolarHBondContact O-ND1 2.71Å; T862-H865 PolarHBondContact O-N 2.87Å; E863-H865 PolarHBondContact O-N 3.17Å; H865-E867 PolarHBondContact O-N 3.23Å; H865-A868 PolarHBondContact O-N 2.72Å; H865-M1147 HydrophobicContact CB-CE 3.45Å; H865-M1147 VanDerWaalsContact CB-CE 3.45Å |
| 866 | N | 71.9 | Confident | 84.9 | Confident | 139 Ų | 139 | 49.4 Ų | 49.4 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -26.7 | -175.2 | -70.9 | -42 | 0 | 0 | 0 | 116 | E863 | E863-N866 PolarHBondContact O-ND2 3.49Å; E863-N866 PolarHBondContact O-OD1 2.9Å |
| 867 | E | 75.9 | Confident | 85.1 | Confident | 57 Ų | 57 | 44 Ų | 44 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16 | 179.1 | -63.3 | -169.3 | 166.7 | 0 | 0 | 114.3 | H865 R1150 G1215 D1216 | H865-E867 PolarHBondContact O-N 3.23Å; E867-R1150 PolarHBondContact O-N 3.23Å; E867-G1215 VanDerWaalsContact OE2-CA 3.27Å; E867-G1215 WeakPolarHBondContact OE2-CA 3.49Å; E867-D1216 WeakPolarHBondContact OE1-CA 3.39Å; E867-D1216 VanDerWaalsContact OE1-CB 3.3Å; E867-D1216 WeakPolarHBondContact OE1-CB 3.32Å; E867-D1216 VanDerWaalsContact OE2-CA 3.28Å; E867-D1216 WeakPolarHBondContact OE2-CA 3.35Å; E867-D1216 PolarHBondContact OE2-N 3.12Å |
| 868 | A | 83.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.6 | -180 | 0 | 0 | 0 | 0 | 0 | 110.5 | H865 M1147 R1148 F1149 | H865-A868 PolarHBondContact O-N 2.72Å; A868-M1147 HydrophobicContact CB-CB 4.38Å; A868-M1147 HydrophobicContact CB-CE 3.63Å; A868-R1148 CarbonylContact C-O 3.48Å; A868-R1148 WeakPolarHBondContact CA-O 3.42Å; A868-F1149 HydrophobicContact CB-CD1 3.87Å; A868-F1149 HydrophobicContact CB-CD2 4.08Å; A868-F1149 HydrophobicContact CB-CE1 3.8Å; A868-F1149 HydrophobicContact CB-CE2 4Å; A868-F1149 HydrophobicContact CB-CG 4.01Å; A868-F1149 HydrophobicContact CB-CZ 3.87Å |
| 869 | K | 82.8 | Confident | 85.5 | Confident | 139 Ų | 139 | 42.8 Ų | 42.8 | 60% | 0.604 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.2 | 172.1 | -170.8 | 178.8 | 178 | -177.5 | 0 | 109.3 | Q871 R1148 | K869-Q871 PolarHBondContact O-N 2.81Å; K869-R1148 PolarHBondContact N-O 2.89Å; K869-R1148 PolarHBondContact O-N 3.29Å |
| 870 | L | 84.6 | Confident | 85.8 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 30% | 0.298 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 120.7 | 172 | -159.6 | 146 | 0 | 0 | 0 | 109.1 | Y584 V872 I1145 M1147 | Y584-L870 HydrophobicContact CE1-CD1 4.29Å; L870-V872 HydrophobicContact CD2-CG2 3.61Å; L870-I1145 HydrophobicContact CD1-CG2 4.23Å; L870-I1145 HydrophobicContact CD2-CG2 3.52Å; L870-I1145 HydrophobicContact CG-CG2 3.73Å; L870-M1147 HydrophobicContact CB-SD 4.02Å; L870-M1147 HydrophobicContact CD1-SD 4.1Å; L870-M1147 HydrophobicContact CG-SD 4.15Å |
| 871 | Q | 86.1 | Confident | 85.9 | Confident | 41 Ų | 41 | 40 Ų | 40 | 19% | 0.192 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.2 | 180 | -174.8 | 176.2 | 4.9 | 0 | 0 | 109.1 | K869 V873 I1145 F1146 | K869-Q871 PolarHBondContact O-N 2.81Å; Q871-V873 HydrophobicContact CG-CG1 4.1Å; Q871-I1145 WeakPolarHBondContact O-CA 3.24Å; Q871-F1146 PolarHBondContact N-O 3.36Å; Q871-F1146 PolarHBondContact O-N 2.9Å |
| 872 | V | 89.3 | Confident | 85.9 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.8 | 177.7 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | L870 W919 L1105 P1143 I1145 | L870-V872 HydrophobicContact CD2-CG2 3.61Å; V872-W919 HydrophobicContact CB-CH2 4.47Å; V872-W919 HydrophobicContact CB-CZ3 4.18Å; V872-W919 HydrophobicContact CG1-CZ3 4.37Å; V872-W919 HydrophobicContact CG2-CH2 4.03Å; V872-W919 HydrophobicContact CG2-CZ3 4.17Å; V872-L1105 HydrophobicContact CG1-CD1 3.95Å; V872-L1105 PolarHBondContact O-N 3.27Å; V872-P1143 HydrophobicContact CG1-CB 3.54Å; V872-P1143 HydrophobicContact CG1-CG 3.57Å; V872-I1145 HydrophobicContact CG2-CG1 4.49Å |
| 873 | V | 90.3 | Very high | 86 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.2 | -178 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | Q871 R1103 A1104 P1143 R1144 F1146 | Q871-V873 HydrophobicContact CG-CG1 4.1Å; V873-R1103 CarbonylContact C-O 3.57Å; V873-R1103 WeakPolarHBondContact CA-O 3.23Å; V873-A1104 HydrophobicContact CG1-CB 4.32Å; V873-P1143 CarbonylContact O-C 3.37Å; V873-P1143 WeakPolarHBondContact O-CA 3.18Å; V873-P1143 VanDerWaalsContact O-CB 3.27Å; V873-P1143 WeakPolarHBondContact O-CB 3.01Å; V873-R1144 HydrophobicContact CG2-CB 3.79Å; V873-R1144 PolarHBondContact N-O 3.32Å; V873-R1144 PolarHBondContact O-N 3Å; V873-F1146 HydrophobicContact CG2-CD2 3.9Å; V873-F1146 HydrophobicContact CG2-CE2 3.65Å |
| 874 | A | 91.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 137.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | I913 W921 W925 H1102 R1103 L1105 L1119 | A874-I913 HydrophobicContact CB-CD1 4.47Å; A874-W921 HydrophobicContact CB-CH2 3.6Å; A874-W921 HydrophobicContact CB-CZ3 3.66Å; A874-W925 HydrophobicContact CB-CH2 3.84Å; A874-W925 HydrophobicContact CB-CZ3 4.44Å; A874-H1102 CarbonylContact O-C 3.57Å; A874-H1102 VanDerWaalsContact O-CA 3.27Å; A874-H1102 WeakPolarHBondContact O-CA 3.22Å; A874-R1103 PolarHBondContact N-O 3.12Å; A874-R1103 PolarHBondContact O-N 3.29Å; A874-L1105 HydrophobicContact CB-CD1 4.1Å; A874-L1105 VanDerWaalsContact N-CD1 3.27Å; A874-L1119 HydrophobicContact CB-CD1 3.91Å |
| 875 | E | 92 | Very high | 85.5 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.3 | -178.2 | 178.1 | 173.2 | 87.6 | 0 | 0 | 110 | Y877 L908 R1100 W1101 H1102 R1144 | E875-Y877 HydrophobicContact CG-CD2 4.44Å; E875-Y877 HydrophobicContact CG-CE2 3.7Å; E875-Y877 PolarHBondContact OE1-OH 3Å; E875-L908 VanDerWaalsContact O-CD2 3.3Å; E875-L908 WeakPolarHBondContact O-CD2 3.29Å; E875-R1100 HydrophobicContact CG-CG 4.26Å; E875-R1100 WeakPolarHBondContact OE2-CD 3.34Å; E875-R1100 IonicContact OE2-NE 2.69Å; E875-W1101 WeakPolarHBondContact CA-O 3.44Å; E875-H1102 IonicContact OE2-CD2 2.78Å; E875-H1102 IonicContact OE2-CE1 3.16Å; E875-H1102 IonicContact OE2-NE2 3.05Å; E875-H1102 PolarHBondContact OE2-NE2 3.06Å; E875-R1144 HydrophobicContact CB-CG 4.15Å; E875-R1144 IonicContact OE1-CZ 3.95Å; E875-R1144 IonicContact OE1-NE 2.82Å; E875-R1144 PolarHBondContact OE1-NE 2.86Å; E875-R1144 IonicContact OE1-NH2 3.78Å |
| 876 | T | 92.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 157.7 | 169.8 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | W899 S900 L908 K910 W925 W1101 | T876-W899 HydrophobicContact CG2-CE3 3.9Å; T876-W899 HydrophobicContact CG2-CZ3 4.03Å; T876-S900 CarbonylContact C-O 3.59Å; T876-S900 WeakPolarHBondContact CA-O 3.03Å; T876-S900 PolarHBondContact OG1-O 2.73Å; T876-L908 PolarHBondContact OG1-O 3.49Å; T876-K910 HydrophobicContact CG2-CG 3.68Å; T876-W925 HydrophobicContact CG2-CE3 4.29Å; T876-W925 HydrophobicContact CG2-CH2 3.85Å; T876-W925 HydrophobicContact CG2-CZ3 3.68Å; T876-W1101 HydrophobicContact CG2-CB 3.95Å; T876-W1101 PolarHBondContact N-O 2.63Å; T876-W1101 PolarHBondContact O-N 3.21Å |
| 877 | Y | 91.5 | Very high | 86.5 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.5 | -178.8 | -67.3 | -102.3 | 0 | 0 | 0 | 110 | E875 W899 S900 N902 R1098 R1099 R1100 | E875-Y877 HydrophobicContact CG-CD2 4.44Å; E875-Y877 HydrophobicContact CG-CE2 3.7Å; E875-Y877 PolarHBondContact OE1-OH 3Å; Y877-W899 CarbonylContact O-C 3.58Å; Y877-W899 VanDerWaalsContact O-CA 3.22Å; Y877-W899 WeakPolarHBondContact O-CA 3.16Å; Y877-S900 PolarHBondContact N-O 3.35Å; Y877-S900 PolarHBondContact O-N 3.47Å; Y877-N902 HydrophobicContact CD2-CB 4.32Å; Y877-N902 HydrophobicContact CE2-CB 3.53Å; Y877-R1098 HydrophobicContact CD1-CG 4.22Å; Y877-R1099 CarbonylContact C-O 3.6Å; Y877-R1099 VanDerWaalsContact CA-O 3.3Å; Y877-R1099 WeakPolarHBondContact CA-O 3.13Å; Y877-R1100 HydrophobicContact CD1-CB 3.94Å; Y877-R1100 HydrophobicContact CD1-CG 4.15Å; Y877-R1100 HydrophobicContact CE1-CB 3.61Å; Y877-R1100 HydrophobicContact CE1-CG 3.55Å; Y877-R1100 HydrophobicContact CE2-CG 4.15Å; Y877-R1100 VanDerWaalsContact CZ-CD 3.4Å; Y877-R1100 WeakPolarHBondContact OH-CD 3.04Å |
| 878 | E | 92.8 | Very high | 87 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 13% | 0.126 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.9 | 170.5 | -173.3 | -178.2 | 179.8 | 0 | 0 | 109 | S898 W899 W1076 R1098 R1099 W1101 | E878-S898 CarbonylContact C-O 3.5Å; E878-S898 WeakPolarHBondContact CA-O 3.41Å; E878-W899 HydrophobicContact CB-CD2 4.32Å; E878-W899 HydrophobicContact CB-CE3 4.01Å; E878-W899 HydrophobicContact CB-CH2 3.63Å; E878-W899 HydrophobicContact CB-CZ2 4Å; E878-W899 HydrophobicContact CB-CZ3 3.67Å; E878-W899 HydrophobicContact CG-CD2 4.42Å; E878-W899 HydrophobicContact CG-CH2 3.77Å; E878-W899 HydrophobicContact CG-CZ2 3.63Å; E878-W899 HydrophobicContact CG-CZ3 4.26Å; E878-W1076 HydrophobicContact CB-CH2 4.39Å; E878-W1076 HydrophobicContact CG-CH2 3.85Å; E878-W1076 HydrophobicContact CG-CZ3 4.45Å; E878-W1076 WeakPolarHBondContact O-CZ3 3.32Å; E878-R1098 CarbonylContact O-C 3.56Å; E878-R1098 WeakPolarHBondContact O-CA 3.3Å; E878-R1099 HydrophobicContact CB-CB 4.36Å; E878-R1099 PolarHBondContact N-O 2.73Å; E878-R1099 PolarHBondContact O-N 2.99Å; E878-R1099 IonicContact OE1-NH2 2.96Å; E878-R1099 PolarHBondContact OE1-NH2 3.13Å; E878-R1099 IonicContact OE2-CZ 2.7Å; E878-R1099 VanDerWaalsContact OE2-CZ 3.28Å; E878-R1099 IonicContact OE2-NE 3.06Å; E878-R1099 PolarHBondContact OE2-NE 2.81Å; E878-R1099 IonicContact OE2-NH2 3.62Å; E878-R1099 PolarHBondContact OE2-NH2 2.9Å; E878-W1101 PolarHBondContact OE2-NE1 2.88Å |
| 879 | N | 93.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.8 | -170.6 | -63.4 | -39.7 | 0 | 0 | 0 | 112.4 | L894 P897 S898 S900 F1082 R1098 | N879-L894 HydrophobicContact CB-CD1 4.25Å; N879-L894 HydrophobicContact CB-CD2 4.44Å; N879-P897 WeakPolarHBondContact CB-O 3.02Å; N879-P897 PolarHBondContact ND2-O 2.91Å; N879-S898 PolarHBondContact N-O 3Å; N879-S900 WeakPolarHBondContact ND2-CB 3.37Å; N879-S900 PolarHBondContact ND2-OG 3.31Å; N879-F1082 HydrophobicContact CB-CE1 4.06Å; N879-F1082 HydrophobicContact CB-CZ 3.87Å; N879-F1082 WeakPolarHBondContact OD1-CE1 3.39Å; N879-R1098 VanDerWaalsContact OD1-CB 3.29Å; N879-R1098 WeakPolarHBondContact OD1-CB 3.43Å |
| 880 | Q | 92.3 | Very high | 86.9 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 153.4 | 174.5 | -64 | -176.8 | -6.8 | 0 | 0 | 110.4 | W887 V888 T889 W1076 V1096 R1097 | Q880-W887 HydrophobicContact CB-CB 4.35Å; Q880-W887 HydrophobicContact CB-CE3 4.36Å; Q880-V888 WeakPolarHBondContact CA-O 3.42Å; Q880-T889 HydrophobicContact CG-CG2 3.68Å; Q880-W1076 HydrophobicContact CG-CH2 3.85Å; Q880-W1076 HydrophobicContact CG-CZ3 4.23Å; Q880-V1096 WeakPolarHBondContact O-CA 3.46Å; Q880-R1097 HydrophobicContact CB-CG 3.87Å; Q880-R1097 PolarHBondContact N-O 2.92Å; Q880-R1097 PolarHBondContact O-N 3.15Å |
| 881 | A | 90 | Very high | 86 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V888 P893 L894 M1095 | A881-V888 PolarHBondContact N-O 2.76Å; A881-V888 WeakPolarHBondContact O-CG2 3.48Å; A881-V888 PolarHBondContact O-N 3.45Å; A881-P893 HydrophobicContact CB-CB 4.32Å; A881-P893 HydrophobicContact CB-CG 3.95Å; A881-L894 HydrophobicContact CB-CB 4.09Å; A881-L894 HydrophobicContact CB-CD1 3.72Å; A881-M1095 CarbonylContact C-O 3.4Å; A881-M1095 WeakPolarHBondContact CA-O 3.47Å |
| 882 | S | 86.5 | Confident | 84.8 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.2 | -179.5 | -174 | 0 | 0 | 0 | 0 | 110.6 | N886 M1095 | S882-N886 WeakPolarHBondContact CA-O 3.3Å; S882-M1095 PolarHBondContact N-O 3.47Å |
| 883 | I | 81.4 | Confident | 84 | Confident | 79 Ų | 79 | 52.9 Ų | 52.9 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.6 | 165.8 | -98.4 | -179.6 | 0 | 0 | 0 | 107.6 | G885 N886 V888 P893 | I883-G885 PolarHBondContact O-N 3.07Å; I883-G885 VanDerWaalsContact O-N 3.09Å; I883-N886 PolarHBondContact N-O 2.77Å; I883-N886 PolarHBondContact O-N 2.8Å; I883-V888 HydrophobicContact CB-CG2 4.5Å; I883-P893 HydrophobicContact CB-CG 4.2Å; I883-P893 HydrophobicContact CD1-CB 3.49Å; I883-P893 VanDerWaalsContact CD1-CB 3.49Å; I883-P893 HydrophobicContact CD1-CG 3.3Å; I883-P893 HydrophobicContact CG1-CB 3.6Å; I883-P893 HydrophobicContact CG1-CG 3.45Å; I883-P893 VanDerWaalsContact CG1-CG 3.45Å |
| 884 | V | 77 | Confident | 83.5 | Confident | 140 Ų | 140 | 53 Ų | 53 | 85% | 0.848 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 42.2 | 176.4 | -161.3 | 0 | 0 | 0 | 0 | 111.2 | N886 | V884-N886 VanDerWaalsContact C-N 3.29Å; V884-N886 PolarHBondContact O-N 3.41Å |
| 885 | G | 72.1 | Confident | 83 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 58% | 0.577 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 0.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | I883 | I883-G885 PolarHBondContact O-N 3.07Å; I883-G885 VanDerWaalsContact O-N 3.09Å |
| 886 | N | 82.8 | Confident | 82.6 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 59% | 0.594 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.5 | 176.7 | -64.6 | -62.4 | 0 | 0 | 0 | 111.2 | S882 I883 V884 | S882-N886 WeakPolarHBondContact CA-O 3.3Å; I883-N886 PolarHBondContact N-O 2.77Å; I883-N886 PolarHBondContact O-N 2.8Å; V884-N886 VanDerWaalsContact C-N 3.29Å; V884-N886 PolarHBondContact O-N 3.41Å |
| 887 | W | 87.5 | Confident | 82.4 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 16% | 0.163 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120.1 | 177 | -64 | 106.1 | 0 | 0 | 0 | 111.5 | Q880 Y1078 E1090 D1094 V1096 R1097 | Q880-W887 HydrophobicContact CB-CB 4.35Å; Q880-W887 HydrophobicContact CB-CE3 4.36Å; W887-Y1078 HydrophobicContact CH2-CD1 4.01Å; W887-Y1078 HydrophobicContact CH2-CE1 4.45Å; W887-Y1078 AromaticContact CZ2-CD1 3.65Å; W887-Y1078 HydrophobicContact CZ2-CD1 3.65Å; W887-Y1078 AromaticContact CZ2-CE1 3.74Å; W887-Y1078 HydrophobicContact CZ2-CE1 3.74Å; W887-E1090 HydrophobicContact CZ2-CG 4.17Å; W887-E1090 VanDerWaalsContact CZ2-OE1 3.31Å; W887-E1090 WeakPolarHBondContact CZ2-OE1 3.36Å; W887-E1090 PolarHBondContact NE1-OE1 2.96Å; W887-D1094 HydrophobicContact CH2-CB 4.2Å; W887-V1096 VanDerWaalsContact CZ3-C 3.47Å; W887-R1097 VanDerWaalsContact CD1-CZ 3.48Å; W887-R1097 VanDerWaalsContact CD2-CD 3.49Å; W887-R1097 HydrophobicContact CD2-CG 3.88Å; W887-R1097 HydrophobicContact CE3-CB 4.24Å; W887-R1097 HydrophobicContact CE3-CG 3.58Å; W887-R1097 HydrophobicContact CG-CG 4.49Å; W887-R1097 VanDerWaalsContact CG-CZ 3.45Å; W887-R1097 VanDerWaalsContact CG-NE 3.29Å; W887-R1097 HydrophobicContact CH2-CB 4.14Å; W887-R1097 HydrophobicContact CH2-CG 4.33Å; W887-R1097 HydrophobicContact CZ3-CB 3.97Å; W887-R1097 HydrophobicContact CZ3-CG 3.83Å |
| 888 | V | 87.3 | Confident | 82.3 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.5 | -176.3 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | Q880 A881 I883 P893 | Q880-V888 WeakPolarHBondContact CA-O 3.42Å; A881-V888 PolarHBondContact N-O 2.76Å; A881-V888 WeakPolarHBondContact O-CG2 3.48Å; A881-V888 PolarHBondContact O-N 3.45Å; I883-V888 HydrophobicContact CB-CG2 4.5Å; V888-P893 VanDerWaalsContact CG2-CD 3.44Å; V888-P893 HydrophobicContact CG2-CG 3.43Å; V888-P893 VanDerWaalsContact CG2-CG 3.43Å |
| 889 | T | 85 | Confident | 82.3 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | trans | -92 | -9.5 | 175.9 | 49 | 0 | 0 | 0 | 0 | 113.5 | Q880 L894 | Q880-T889 HydrophobicContact CG-CG2 3.68Å; T889-L894 WeakPolarHBondContact O-CD2 3.39Å | ||
| 890 | K | 79.2 | Confident | 82.1 | Confident | 165 Ų | 165 | 62.1 Ų | 62.1 | 72% | 0.717 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -79.3 | 145.9 | -174.7 | -66.2 | -177.3 | -179 | 177.9 | 0 | 111.4 | P892 P893 L894 | K890-P892 CarbonylContact O-C 3.57Å; K890-P892 VanDerWaalsContact O-C 3.25Å; K890-P893 VanDerWaalsContact O-CD 3.26Å; K890-P893 WeakPolarHBondContact O-CD 3.47Å; K890-L894 WeakPolarHBondContact O-CB 3.16Å; K890-L894 PolarHBondContact O-N 2.68Å |
| 891 | R | 66.5 | Low | 81.7 | Confident | 139 Ų | 139 | 62 Ų | 62 | 53% | 0.525 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 135.9 | 169.4 | -57 | -165.1 | 155.5 | 165.5 | -27 | 110.4 | L894 T895 R896 P897 | R891-L894 HydrophobicContact CG-CB 4.36Å; R891-L894 WeakPolarHBondContact CG-O 2.8Å; R891-T895 PolarHBondContact NH2-O 3.27Å; R891-R896 VanDerWaalsContact CZ-C 3.48Å; R891-R896 PolarHBondContact NE-O 3.34Å; R891-R896 VanDerWaalsContact NH2-CA 3.3Å; R891-R896 PolarHBondContact NH2-O 3.05Å; R891-P897 VanDerWaalsContact NH2-CD 3.29Å |
| 892 | P | 60.5 | Low | 81.2 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 79% | 0.792 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -63.1 | 158.3 | -26.8 | -10.1 | 26.7 | 0 | 0 | 0 | 110.5 | K890 | K890-P892 CarbonylContact O-C 3.57Å; K890-P892 VanDerWaalsContact O-C 3.25Å |
| 893 | P | 71.1 | Confident | 80.7 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 23% | 0.234 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -89.9 | -16.3 | 18 | 33.3 | -34.1 | 0 | 0 | 0 | 114.9 | A881 I883 V888 K890 T895 | A881-P893 HydrophobicContact CB-CB 4.32Å; A881-P893 HydrophobicContact CB-CG 3.95Å; I883-P893 HydrophobicContact CB-CG 4.2Å; I883-P893 HydrophobicContact CD1-CB 3.49Å; I883-P893 VanDerWaalsContact CD1-CB 3.49Å; I883-P893 HydrophobicContact CD1-CG 3.3Å; I883-P893 HydrophobicContact CG1-CB 3.6Å; I883-P893 HydrophobicContact CG1-CG 3.45Å; I883-P893 VanDerWaalsContact CG1-CG 3.45Å; V888-P893 VanDerWaalsContact CG2-CD 3.44Å; V888-P893 HydrophobicContact CG2-CG 3.43Å; V888-P893 VanDerWaalsContact CG2-CG 3.43Å; K890-P893 VanDerWaalsContact O-CD 3.26Å; K890-P893 WeakPolarHBondContact O-CD 3.47Å; P893-T895 PolarHBondContact O-N 3.07Å; P893-T895 VanDerWaalsContact O-N 3.07Å |
| 894 | L | 81.7 | Confident | 80.4 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | trans | -64.3 | 114.9 | -172.2 | -174.2 | 71.1 | 0 | 0 | 0 | 109.6 | N879 A881 T889 K890 R891 R896 F1082 | N879-L894 HydrophobicContact CB-CD1 4.25Å; N879-L894 HydrophobicContact CB-CD2 4.44Å; A881-L894 HydrophobicContact CB-CB 4.09Å; A881-L894 HydrophobicContact CB-CD1 3.72Å; T889-L894 WeakPolarHBondContact O-CD2 3.39Å; K890-L894 WeakPolarHBondContact O-CB 3.16Å; K890-L894 PolarHBondContact O-N 2.68Å; R891-L894 HydrophobicContact CG-CB 4.36Å; R891-L894 WeakPolarHBondContact CG-O 2.8Å; L894-R896 VanDerWaalsContact C-N 3.35Å; L894-R896 WeakPolarHBondContact CD2-O 3.17Å; L894-R896 WeakPolarHBondContact CG-O 3.18Å; L894-F1082 HydrophobicContact CD1-CE2 3.94Å; L894-F1082 HydrophobicContact CD1-CZ 3.86Å | ||
| 895 | T | 80.1 | Confident | 80.4 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -79.6 | -22.6 | -179.4 | 55.1 | 0 | 0 | 0 | 0 | 112 | R891 P893 | R891-T895 PolarHBondContact NH2-O 3.27Å; P893-T895 PolarHBondContact O-N 3.07Å; P893-T895 VanDerWaalsContact O-N 3.07Å |
| 896 | R | 84.6 | Confident | 80.8 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -102.8 | 164.2 | 178.6 | -63.9 | -44.2 | -171.9 | -159.5 | -4.7 | 111.9 | R891 L894 G904 F1082 D1083 | R891-R896 VanDerWaalsContact CZ-C 3.48Å; R891-R896 PolarHBondContact NE-O 3.34Å; R891-R896 VanDerWaalsContact NH2-CA 3.3Å; R891-R896 PolarHBondContact NH2-O 3.05Å; L894-R896 VanDerWaalsContact C-N 3.35Å; L894-R896 WeakPolarHBondContact CD2-O 3.17Å; L894-R896 WeakPolarHBondContact CG-O 3.18Å; R896-G904 WeakPolarHBondContact CB-O 3.24Å; R896-G904 WeakPolarHBondContact CD-O 3.25Å; R896-G904 VanDerWaalsContact CG-O 3.25Å; R896-G904 WeakPolarHBondContact CG-O 3.49Å; R896-F1082 HydrophobicContact CB-CD2 4.02Å; R896-F1082 HydrophobicContact CB-CE1 4.27Å; R896-F1082 HydrophobicContact CB-CE2 3.7Å; R896-F1082 HydrophobicContact CB-CG 4.43Å; R896-F1082 HydrophobicContact CB-CZ 3.87Å; R896-F1082 HydrophobicContact CG-CB 4.23Å; R896-F1082 HydrophobicContact CG-CD1 4.02Å; R896-F1082 HydrophobicContact CG-CD2 3.28Å; R896-F1082 HydrophobicContact CG-CE1 4.24Å; R896-F1082 HydrophobicContact CG-CE2 3.53Å; R896-F1082 HydrophobicContact CG-CG 3.56Å; R896-F1082 HydrophobicContact CG-CZ 4.03Å; R896-D1083 IonicContact NH2-OD1 3.4Å; R896-D1083 IonicContact NH2-OD2 3.97Å |
| 897 | P | 87.6 | Confident | 81 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 5% | 0.045 | 31% | 0.314 | C | S | . | . | trans | -64.9 | 151.3 | 175.2 | -22.4 | 36.1 | 0 | 0 | 0 | 110.2 | N879 R891 W899 G904 E907 | N879-P897 WeakPolarHBondContact CB-O 3.02Å; N879-P897 PolarHBondContact ND2-O 2.91Å; R891-P897 VanDerWaalsContact NH2-CD 3.29Å; P897-W899 WeakPolarHBondContact CB-O 3.26Å; P897-W899 PolarHBondContact O-N 3.04Å; P897-G904 WeakPolarHBondContact CD-O 3.34Å; P897-E907 HydrophobicContact CB-CB 3.7Å; P897-E907 HydrophobicContact CB-CG 3.85Å; P897-E907 HydrophobicContact CG-CB 3.82Å | ||
| 898 | S | 89.8 | Confident | 81 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -66.3 | -21.7 | 178.7 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | E878 N879 | E878-S898 CarbonylContact C-O 3.5Å; E878-S898 WeakPolarHBondContact CA-O 3.41Å; N879-S898 PolarHBondContact N-O 3Å |
| 899 | W | 91.4 | Very high | 81 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 125.6 | 169.5 | -70.8 | 90.4 | 0 | 0 | 0 | 107.9 | T876 Y877 E878 P897 E907 L908 P909 K910 W1101 | T876-W899 HydrophobicContact CG2-CE3 3.9Å; T876-W899 HydrophobicContact CG2-CZ3 4.03Å; Y877-W899 CarbonylContact O-C 3.58Å; Y877-W899 VanDerWaalsContact O-CA 3.22Å; Y877-W899 WeakPolarHBondContact O-CA 3.16Å; E878-W899 HydrophobicContact CB-CD2 4.32Å; E878-W899 HydrophobicContact CB-CE3 4.01Å; E878-W899 HydrophobicContact CB-CH2 3.63Å; E878-W899 HydrophobicContact CB-CZ2 4Å; E878-W899 HydrophobicContact CB-CZ3 3.67Å; E878-W899 HydrophobicContact CG-CD2 4.42Å; E878-W899 HydrophobicContact CG-CH2 3.77Å; E878-W899 HydrophobicContact CG-CZ2 3.63Å; E878-W899 HydrophobicContact CG-CZ3 4.26Å; P897-W899 WeakPolarHBondContact CB-O 3.26Å; P897-W899 PolarHBondContact O-N 3.04Å; W899-E907 CarbonylContact O-C 3.57Å; W899-E907 WeakPolarHBondContact O-CA 3.49Å; W899-L908 PolarHBondContact O-N 2.62Å; W899-P909 HydrophobicContact CB-CB 4.32Å; W899-P909 HydrophobicContact CB-CG 4.49Å; W899-K910 HydrophobicContact CE3-CD 4.34Å; W899-K910 HydrophobicContact CE3-CG 3.87Å; W899-K910 HydrophobicContact CH2-CD 3.63Å; W899-K910 HydrophobicContact CH2-CG 4.05Å; W899-K910 HydrophobicContact CZ2-CD 4.47Å; W899-K910 HydrophobicContact CZ3-CD 3.52Å; W899-K910 HydrophobicContact CZ3-CG 3.53Å; W899-W1101 AromaticContact CH2-CD1 3.85Å; W899-W1101 AromaticContact CH2-CE2 3.99Å; W899-W1101 HydrophobicContact CH2-CG 4.41Å; W899-W1101 AromaticContact CH2-NE1 3.52Å; W899-W1101 AromaticContact CZ3-CD1 3.46Å; W899-W1101 VanDerWaalsContact CZ3-CD1 3.46Å; W899-W1101 AromaticContact CZ3-CG 3.99Å; W899-W1101 HydrophobicContact CZ3-CG 3.99Å; W899-W1101 AromaticContact CZ3-NE1 3.66Å |
| 900 | S | 89.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 172.2 | -174 | 73.3 | 0 | 0 | 0 | 0 | 114.9 | T876 Y877 N879 G904 I906 | T876-S900 CarbonylContact C-O 3.59Å; T876-S900 WeakPolarHBondContact CA-O 3.03Å; T876-S900 PolarHBondContact OG1-O 2.73Å; Y877-S900 PolarHBondContact N-O 3.35Å; Y877-S900 PolarHBondContact O-N 3.47Å; N879-S900 WeakPolarHBondContact ND2-CB 3.37Å; N879-S900 PolarHBondContact ND2-OG 3.31Å; S900-G904 WeakPolarHBondContact OG-CA 3.38Å; S900-I906 CarbonylContact C-O 3.56Å; S900-I906 WeakPolarHBondContact CA-O 3.31Å; S900-I906 WeakPolarHBondContact CB-O 3.48Å |
| 901 | D | 85.1 | Confident | 81.3 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | trans | -67.3 | -178.9 | 159.8 | 76.3 | -44.4 | 0 | 0 | 0 | 112.5 | T903 G904 R905 I906 | D901-T903 VanDerWaalsContact C-N 3.28Å; D901-T903 VanDerWaalsContact CG-OG1 3.25Å; D901-T903 PolarHBondContact O-N 3.42Å; D901-T903 PolarHBondContact OD1-OG1 3.32Å; D901-T903 VanDerWaalsContact OD1-OG1 3.11Å; D901-T903 WeakPolarHBondContact OD2-CB 3.36Å; D901-T903 WeakPolarHBondContact OD2-CG2 3.34Å; D901-T903 PolarHBondContact OD2-N 2.86Å; D901-T903 PolarHBondContact OD2-OG1 2.97Å; D901-G904 PolarHBondContact O-N 3.37Å; D901-G904 VanDerWaalsContact O-N 3.11Å; D901-G904 PolarHBondContact OD1-N 2.97Å; D901-R905 PolarHBondContact OD1-N 3.26Å; D901-I906 HydrophobicContact CB-CB 4.16Å; D901-I906 PolarHBondContact N-O 2.85Å; D901-I906 PolarHBondContact OD1-N 3.09Å | ||
| 902 | N | 78.5 | Confident | 82.2 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.1 | -178.9 | 74.2 | -30.7 | 0 | 0 | 0 | 114.2 | P627 Y877 G904 R1144 | P627-N902 WeakPolarHBondContact CD-ND2 3.39Å; P627-N902 HydrophobicContact CG-CB 4.49Å; Y877-N902 HydrophobicContact CD2-CB 4.32Å; Y877-N902 HydrophobicContact CE2-CB 3.53Å; N902-G904 VanDerWaalsContact C-N 3.26Å; N902-R1144 PolarHBondContact ND2-NH2 3.14Å |
| 903 | T | 75.9 | Confident | 83.4 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -12.5 | 176 | 72.3 | 0 | 0 | 0 | 0 | 112.7 | D901 R905 | D901-T903 VanDerWaalsContact C-N 3.28Å; D901-T903 VanDerWaalsContact CG-OG1 3.25Å; D901-T903 PolarHBondContact O-N 3.42Å; D901-T903 PolarHBondContact OD1-OG1 3.32Å; D901-T903 VanDerWaalsContact OD1-OG1 3.11Å; D901-T903 WeakPolarHBondContact OD2-CB 3.36Å; D901-T903 WeakPolarHBondContact OD2-CG2 3.34Å; D901-T903 PolarHBondContact OD2-N 2.86Å; D901-T903 PolarHBondContact OD2-OG1 2.97Å; T903-R905 PolarHBondContact O-N 3.19Å; T903-R905 WeakPolarHBondContact OG1-CB 3.32Å; T903-R905 PolarHBondContact OG1-N 2.85Å |
| 904 | G | 74.7 | Confident | 84 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 79.4 | 0.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R896 P897 S900 D901 N902 | R896-G904 WeakPolarHBondContact CB-O 3.24Å; R896-G904 WeakPolarHBondContact CD-O 3.25Å; R896-G904 VanDerWaalsContact CG-O 3.25Å; R896-G904 WeakPolarHBondContact CG-O 3.49Å; P897-G904 WeakPolarHBondContact CD-O 3.34Å; S900-G904 WeakPolarHBondContact OG-CA 3.38Å; D901-G904 PolarHBondContact O-N 3.37Å; D901-G904 VanDerWaalsContact O-N 3.11Å; D901-G904 PolarHBondContact OD1-N 2.97Å; N902-G904 VanDerWaalsContact C-N 3.26Å |
| 905 | R | 78.1 | Confident | 84 | Confident | 159 Ų | 159 | 51.2 Ų | 51.2 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | trans | -101.3 | -35.1 | -165.4 | -61.9 | 178.2 | -176.2 | -174.2 | 1 | 113.1 | D901 T903 | D901-R905 PolarHBondContact OD1-N 3.26Å; T903-R905 PolarHBondContact O-N 3.19Å; T903-R905 WeakPolarHBondContact OG1-CB 3.32Å; T903-R905 PolarHBondContact OG1-N 2.85Å | ||
| 906 | I | 80.7 | Confident | 83.8 | Confident | 99 Ų | 99 | 47.7 Ų | 47.7 | 51% | 0.508 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -95.9 | 125.1 | -176 | -58.7 | 172.8 | 0 | 0 | 0 | 108.4 | S900 D901 L908 | S900-I906 CarbonylContact C-O 3.56Å; S900-I906 WeakPolarHBondContact CA-O 3.31Å; S900-I906 WeakPolarHBondContact CB-O 3.48Å; D901-I906 HydrophobicContact CB-CB 4.16Å; D901-I906 PolarHBondContact N-O 2.85Å; D901-I906 PolarHBondContact OD1-N 3.09Å; I906-L908 PolarHBondContact O-N 3.36Å |
| 907 | E | 86.6 | Confident | 83.6 | Confident | 109 Ų | 109 | 51.3 Ų | 51.3 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 120.7 | 177.9 | -176.2 | 167.1 | -162 | 0 | 0 | 110.5 | P897 W899 P909 | P897-E907 HydrophobicContact CB-CB 3.7Å; P897-E907 HydrophobicContact CB-CG 3.85Å; P897-E907 HydrophobicContact CG-CB 3.82Å; W899-E907 CarbonylContact O-C 3.57Å; W899-E907 WeakPolarHBondContact O-CA 3.49Å; E907-P909 HydrophobicContact CG-CG 4.11Å |
| 908 | L | 86.9 | Confident | 83.2 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | -138.1 | 70.5 | -172.9 | -167.3 | 66.8 | 0 | 0 | 0 | 112.6 | E875 T876 W899 I906 I913 I1121 T1141 | E875-L908 VanDerWaalsContact O-CD2 3.3Å; E875-L908 WeakPolarHBondContact O-CD2 3.29Å; T876-L908 PolarHBondContact OG1-O 3.49Å; W899-L908 PolarHBondContact O-N 2.62Å; I906-L908 PolarHBondContact O-N 3.36Å; L908-I913 HydrophobicContact CD1-CD1 4.23Å; L908-I913 HydrophobicContact CD1-CG1 4.04Å; L908-I913 HydrophobicContact CD2-CD1 4.46Å; L908-I913 HydrophobicContact CG-CD1 4.15Å; L908-I913 HydrophobicContact CG-CG1 4.43Å; L908-I1121 HydrophobicContact CD1-CD1 3.38Å; L908-I1121 HydrophobicContact CD1-CG1 3.59Å; L908-I1121 HydrophobicContact CD1-CG2 4.28Å; L908-T1141 HydrophobicContact CD1-CG2 3.85Å | ||
| 909 | P | 87.5 | Confident | 83 | Confident | 32 Ų | 32 | 51 Ų | 51 | 21% | 0.208 | 26% | 0.26 | C | S | . | . | trans | -67.7 | 141.2 | -179.4 | -15.3 | 30.4 | 0 | 0 | 0 | 112.1 | W899 E907 D911 S912 | W899-P909 HydrophobicContact CB-CB 4.32Å; W899-P909 HydrophobicContact CB-CG 4.49Å; E907-P909 HydrophobicContact CG-CG 4.11Å; P909-D911 VanDerWaalsContact C-N 3.26Å; P909-D911 PolarHBondContact O-N 3.24Å; P909-D911 VanDerWaalsContact O-N 3.14Å; P909-S912 WeakPolarHBondContact O-CB 3.17Å; P909-S912 PolarHBondContact O-N 3.39Å | ||
| 910 | K | 87.1 | Confident | 82.9 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -48 | -43.9 | -179.8 | -72.6 | -172.4 | -61.2 | -169.5 | 0 | 114 | T876 W899 S912 W925 W1101 | T876-K910 HydrophobicContact CG2-CG 3.68Å; W899-K910 HydrophobicContact CE3-CD 4.34Å; W899-K910 HydrophobicContact CE3-CG 3.87Å; W899-K910 HydrophobicContact CH2-CD 3.63Å; W899-K910 HydrophobicContact CH2-CG 4.05Å; W899-K910 HydrophobicContact CZ2-CD 4.47Å; W899-K910 HydrophobicContact CZ3-CD 3.52Å; W899-K910 HydrophobicContact CZ3-CG 3.53Å; K910-S912 VanDerWaalsContact C-N 3.31Å; K910-S912 PolarHBondContact O-N 2.66Å; K910-W925 HydrophobicContact CB-CD2 4.35Å; K910-W925 HydrophobicContact CB-CZ2 4.16Å; K910-W925 HydrophobicContact CD-CB 4.09Å; K910-W925 HydrophobicContact CD-CD2 3.81Å; K910-W925 HydrophobicContact CD-CE3 4.3Å; K910-W925 HydrophobicContact CD-CG 3.72Å; K910-W925 HydrophobicContact CG-CD2 3.9Å; K910-W925 HydrophobicContact CG-CE3 4.31Å; K910-W925 HydrophobicContact CG-CG 4.25Å; K910-W925 HydrophobicContact CG-CZ2 4.18Å; K910-W1101 HydrophobicContact CD-CD2 4.4Å; K910-W1101 HydrophobicContact CD-CG 4.47Å |
| 911 | D | 83.3 | Confident | 83 | Confident | 139 Ų | 139 | 56.3 Ų | 56.3 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -84.4 | -5.7 | -175.1 | -55.8 | -38.5 | 0 | 0 | 0 | 113.7 | P909 | P909-D911 VanDerWaalsContact C-N 3.26Å; P909-D911 PolarHBondContact O-N 3.24Å; P909-D911 VanDerWaalsContact O-N 3.14Å |
| 912 | S | 85.5 | Confident | 83 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -89.6 | -16.3 | -179.7 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | P909 K910 Q914 I1121 R1122 | P909-S912 WeakPolarHBondContact O-CB 3.17Å; P909-S912 PolarHBondContact O-N 3.39Å; K910-S912 VanDerWaalsContact C-N 3.31Å; K910-S912 PolarHBondContact O-N 2.66Å; S912-Q914 PolarHBondContact O-N 2.74Å; S912-I1121 CarbonylContact O-C 3.55Å; S912-I1121 WeakPolarHBondContact O-CA 3.47Å; S912-R1122 PolarHBondContact O-N 3.05Å |
| 913 | I | 85.8 | Confident | 83.4 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.4 | -178.5 | -60.3 | 171.3 | 0 | 0 | 0 | 110.2 | A874 L908 W921 W925 L1119 Q1120 | A874-I913 HydrophobicContact CB-CD1 4.47Å; L908-I913 HydrophobicContact CD1-CD1 4.23Å; L908-I913 HydrophobicContact CD1-CG1 4.04Å; L908-I913 HydrophobicContact CD2-CD1 4.46Å; L908-I913 HydrophobicContact CG-CD1 4.15Å; L908-I913 HydrophobicContact CG-CG1 4.43Å; I913-W921 HydrophobicContact CB-CH2 4.49Å; I913-W921 HydrophobicContact CB-CZ2 4.26Å; I913-W921 HydrophobicContact CG2-CH2 3.85Å; I913-W921 HydrophobicContact CG2-CZ2 3.83Å; I913-W925 HydrophobicContact CD1-CH2 3.73Å; I913-W925 HydrophobicContact CD1-CZ2 3.86Å; I913-L1119 HydrophobicContact CG2-CB 3.98Å; I913-L1119 HydrophobicContact CG2-CD1 3.86Å; I913-L1119 HydrophobicContact CG2-CG 4.33Å; I913-Q1120 CarbonylContact C-O 3.47Å |
| 914 | Q | 83.4 | Confident | 84.1 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.9 | 173.8 | -62.2 | -171.2 | -76.9 | 0 | 0 | 110.3 | S912 Q1120 R1122 | S912-Q914 PolarHBondContact O-N 2.74Å; Q914-Q1120 HydrophobicContact CB-CB 4.18Å; Q914-Q1120 PolarHBondContact N-O 3.39Å; Q914-Q1120 PolarHBondContact O-N 3.11Å; Q914-R1122 VanDerWaalsContact CD-CG 3.48Å; Q914-R1122 VanDerWaalsContact CD-NE 3.3Å; Q914-R1122 HydrophobicContact CG-CG 3.76Å |
| 915 | L | 82 | Confident | 84.9 | Confident | 41 Ų | 41 | 65.1 Ų | 65.1 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 141.2 | 177.2 | -58.6 | -171.3 | 0 | 0 | 0 | 111 | W919 E920 W921 L1105 L1119 | L915-W919 HydrophobicContact CB-CB 4.34Å; L915-E920 VanDerWaalsContact CD1-C 3.44Å; L915-E920 VanDerWaalsContact CD1-CA 3.46Å; L915-W921 HydrophobicContact CD1-CB 4.49Å; L915-W921 HydrophobicContact CD1-CD2 3.91Å; L915-W921 HydrophobicContact CD1-CG 3.78Å; L915-W921 HydrophobicContact CD2-CD2 3.84Å; L915-W921 VanDerWaalsContact CD2-CE2 3.4Å; L915-W921 HydrophobicContact CD2-CE3 4.13Å; L915-W921 HydrophobicContact CD2-CH2 3.71Å; L915-W921 HydrophobicContact CD2-CZ2 3.35Å; L915-W921 HydrophobicContact CD2-CZ3 4.09Å; L915-W921 HydrophobicContact CG-CD2 4.17Å; L915-W921 HydrophobicContact CG-CG 4.43Å; L915-W921 HydrophobicContact CG-CZ2 4.07Å; L915-L1105 HydrophobicContact CD1-CD2 4.4Å; L915-L1105 HydrophobicContact CD2-CD2 3.05Å; L915-L1105 HydrophobicContact CG-CD2 4.32Å; L915-L1119 HydrophobicContact CD2-CD2 3.98Å |
| 916 | P | 76.7 | Confident | 85.3 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 157.3 | 166.3 | 24.4 | -30.7 | 0 | 0 | 0 | 110.6 | G918 W919 S1116 V1118 | P916-G918 PolarHBondContact O-N 3.46Å; P916-W919 HydrophobicContact CG-CB 4.34Å; P916-W919 HydrophobicContact CG-CG 4.04Å; P916-W919 PolarHBondContact O-N 3.27Å; P916-S1116 VanDerWaalsContact CB-O 3.31Å; P916-S1116 WeakPolarHBondContact CB-O 3.43Å; P916-S1116 WeakPolarHBondContact CG-O 3.47Å; P916-V1118 WeakPolarHBondContact CG-O 3.32Å |
| 917 | T | 79.7 | Confident | 85.5 | Confident | 132 Ų | 132 | 56.5 Ų | 56.5 | 81% | 0.81 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 136.7 | 174.3 | -55 | 0 | 0 | 0 | 0 | 110 | S1115 | T917-S1115 WeakPolarHBondContact O-CB 3.26Å; T917-S1115 PolarHBondContact O-OG 2.99Å |
| 918 | G | 79.5 | Confident | 85.3 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -6.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P916 P1107 K1108 | P916-G918 PolarHBondContact O-N 3.46Å; G918-P1107 CarbonylContact O-C 3.57Å; G918-P1107 WeakPolarHBondContact O-CA 3.34Å; G918-K1108 WeakPolarHBondContact O-CB 3.39Å; G918-K1108 PolarHBondContact O-N 2.95Å |
| 919 | W | 85.2 | Confident | 84.8 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 151.5 | 179.2 | -69.2 | 78.5 | 0 | 0 | 0 | 112.8 | V872 L915 P916 L1105 A1106 K1108 S1115 C1117 | V872-W919 HydrophobicContact CB-CH2 4.47Å; V872-W919 HydrophobicContact CB-CZ3 4.18Å; V872-W919 HydrophobicContact CG1-CZ3 4.37Å; V872-W919 HydrophobicContact CG2-CH2 4.03Å; V872-W919 HydrophobicContact CG2-CZ3 4.17Å; L915-W919 HydrophobicContact CB-CB 4.34Å; P916-W919 HydrophobicContact CG-CB 4.34Å; P916-W919 HydrophobicContact CG-CG 4.04Å; P916-W919 PolarHBondContact O-N 3.27Å; W919-L1105 HydrophobicContact CE3-CB 3.88Å; W919-L1105 HydrophobicContact CZ3-CB 4.16Å; W919-A1106 WeakPolarHBondContact CA-O 3.29Å; W919-A1106 VanDerWaalsContact CE3-C 3.46Å; W919-K1108 VanDerWaalsContact O-CE 3.31Å; W919-K1108 WeakPolarHBondContact O-CE 3.42Å; W919-S1115 PolarHBondContact NE1-O 2.73Å; W919-S1115 VanDerWaalsContact NE1-O 3.11Å; W919-C1117 HydrophobicContact CH2-CB 4.27Å; W919-C1117 HydrophobicContact CZ2-CB 3.82Å |
| 920 | E | 89.6 | Confident | 84.5 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.5 | 173 | 63.6 | 178.2 | -163.5 | 0 | 0 | 112.6 | L915 L1105 A1106 K1108 | L915-E920 VanDerWaalsContact CD1-C 3.44Å; L915-E920 VanDerWaalsContact CD1-CA 3.46Å; E920-L1105 WeakPolarHBondContact O-CA 3.43Å; E920-A1106 PolarHBondContact N-O 2.89Å; E920-A1106 PolarHBondContact O-N 2.88Å; E920-K1108 HydrophobicContact CB-CG 3.9Å; E920-K1108 HydrophobicContact CG-CG 3.96Å |
| 921 | W | 90.2 | Very high | 84 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 25% | 0.25 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 134.6 | 175.7 | -70.5 | 119 | 0 | 0 | 0 | 110.1 | A874 I913 L915 W925 R1103 L1105 | A874-W921 HydrophobicContact CB-CH2 3.6Å; A874-W921 HydrophobicContact CB-CZ3 3.66Å; I913-W921 HydrophobicContact CB-CH2 4.49Å; I913-W921 HydrophobicContact CB-CZ2 4.26Å; I913-W921 HydrophobicContact CG2-CH2 3.85Å; I913-W921 HydrophobicContact CG2-CZ2 3.83Å; L915-W921 HydrophobicContact CD1-CB 4.49Å; L915-W921 HydrophobicContact CD1-CD2 3.91Å; L915-W921 HydrophobicContact CD1-CG 3.78Å; L915-W921 HydrophobicContact CD2-CD2 3.84Å; L915-W921 VanDerWaalsContact CD2-CE2 3.4Å; L915-W921 HydrophobicContact CD2-CE3 4.13Å; L915-W921 HydrophobicContact CD2-CH2 3.71Å; L915-W921 HydrophobicContact CD2-CZ2 3.35Å; L915-W921 HydrophobicContact CD2-CZ3 4.09Å; L915-W921 HydrophobicContact CG-CD2 4.17Å; L915-W921 HydrophobicContact CG-CG 4.43Å; L915-W921 HydrophobicContact CG-CZ2 4.07Å; W921-W925 HydrophobicContact CH2-CZ2 4.4Å; W921-R1103 HydrophobicContact CD2-CG 4.32Å; W921-R1103 HydrophobicContact CE3-CB 4.14Å; W921-R1103 VanDerWaalsContact CE3-CD 3.4Å; W921-R1103 HydrophobicContact CE3-CG 3.56Å; W921-R1103 HydrophobicContact CZ3-CB 3.89Å; W921-R1103 HydrophobicContact CZ3-CG 3.84Å; W921-L1105 HydrophobicContact CD2-CD2 4.36Å; W921-L1105 HydrophobicContact CE3-CD2 3.64Å; W921-L1105 HydrophobicContact CE3-CG 3.83Å; W921-L1105 HydrophobicContact CH2-CD2 3.85Å; W921-L1105 HydrophobicContact CH2-CG 4.46Å; W921-L1105 HydrophobicContact CZ3-CD1 4.18Å; W921-L1105 HydrophobicContact CZ3-CD2 3.36Å; W921-L1105 HydrophobicContact CZ3-CG 3.58Å |
| 922 | V | 86.4 | Confident | 83.8 | Confident | 72 Ų | 72 | 45.4 Ų | 45.4 | 44% | 0.436 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 113.1 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | A1104 A1106 | V922-A1104 HydrophobicContact CB-CB 4.15Å; V922-A1104 PolarHBondContact N-O 3.48Å; V922-A1106 HydrophobicContact CG2-CB 3.54Å |
| 923 | G | 87.4 | Confident | 83.3 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 55% | 0.546 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.9 | -173.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1103 | G923-R1103 PolarHBondContact O-NE 3.1Å; G923-R1103 PolarHBondContact O-NH2 2.8Å |
| 924 | D | 90.3 | Very high | 82.5 | Confident | 127 Ų | 127 | 44.9 Ų | 44.9 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 168.4 | 176 | -80.9 | -33.4 | 0 | 0 | 0 | 112.1 | Y926 R1103 | D924-Y926 PolarHBondContact O-N 2.79Å; D924-R1103 IonicContact OD1-CZ 3.81Å; D924-R1103 IonicContact OD1-NH2 3Å; D924-R1103 PolarHBondContact OD1-NH2 2.8Å |
| 925 | W | 90 | Very high | 81.8 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 13% | 0.125 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 131.4 | 174.8 | -73.4 | 99 | 0 | 0 | 0 | 111.2 | A874 T876 K910 I913 W921 W1101 H1102 R1103 | A874-W925 HydrophobicContact CB-CH2 3.84Å; A874-W925 HydrophobicContact CB-CZ3 4.44Å; T876-W925 HydrophobicContact CG2-CE3 4.29Å; T876-W925 HydrophobicContact CG2-CH2 3.85Å; T876-W925 HydrophobicContact CG2-CZ3 3.68Å; K910-W925 HydrophobicContact CB-CD2 4.35Å; K910-W925 HydrophobicContact CB-CZ2 4.16Å; K910-W925 HydrophobicContact CD-CB 4.09Å; K910-W925 HydrophobicContact CD-CD2 3.81Å; K910-W925 HydrophobicContact CD-CE3 4.3Å; K910-W925 HydrophobicContact CD-CG 3.72Å; K910-W925 HydrophobicContact CG-CD2 3.9Å; K910-W925 HydrophobicContact CG-CE3 4.31Å; K910-W925 HydrophobicContact CG-CG 4.25Å; K910-W925 HydrophobicContact CG-CZ2 4.18Å; I913-W925 HydrophobicContact CD1-CH2 3.73Å; I913-W925 HydrophobicContact CD1-CZ2 3.86Å; W921-W925 HydrophobicContact CH2-CZ2 4.4Å; W925-W1101 HydrophobicContact CB-CE3 3.98Å; W925-W1101 HydrophobicContact CB-CZ3 4.36Å; W925-W1101 HydrophobicContact CE3-CB 3.89Å; W925-W1101 HydrophobicContact CZ3-CB 4.28Å; W925-H1102 WeakPolarHBondContact CA-O 3.24Å; W925-H1102 VanDerWaalsContact CE3-C 3.49Å; W925-R1103 HydrophobicContact CD2-CB 3.62Å; W925-R1103 HydrophobicContact CD2-CG 4.41Å; W925-R1103 HydrophobicContact CE3-CB 3.64Å; W925-R1103 HydrophobicContact CG-CB 4.11Å; W925-R1103 HydrophobicContact CG-CG 4.49Å; W925-R1103 HydrophobicContact CH2-CB 4.25Å; W925-R1103 HydrophobicContact CZ2-CB 4.23Å; W925-R1103 HydrophobicContact CZ3-CB 3.96Å |
| 926 | Y | 87.7 | Confident | 81.2 | Confident | 56 Ų | 56 | 47 Ų | 47 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.1 | 178.3 | 61.2 | -100.3 | 0 | 0 | 0 | 111.5 | D924 W1101 H1102 | D924-Y926 PolarHBondContact O-N 2.79Å; Y926-W1101 WeakPolarHBondContact O-CA 3.29Å; Y926-H1102 WeakPolarHBondContact CD1-O 3.32Å; Y926-H1102 HydrophobicContact CD2-CB 4.1Å; Y926-H1102 HydrophobicContact CE1-CB 4.27Å; Y926-H1102 HydrophobicContact CE2-CB 3.59Å; Y926-H1102 PolarHBondContact N-O 2.84Å; Y926-H1102 PolarHBondContact O-N 2.9Å |
| 927 | V | 83.8 | Confident | 80.8 | Confident | 22 Ų | 22 | 52 Ų | 52 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | P929 Q1058 A1075 R1099 R1100 W1101 | V927-P929 HydrophobicContact CG1-CG 4.26Å; V927-Q1058 PolarHBondContact O-NE2 2.72Å; V927-A1075 HydrophobicContact CG1-CB 3.78Å; V927-R1099 HydrophobicContact CG1-CG 3.78Å; V927-R1099 HydrophobicContact CG2-CG 4.15Å; V927-R1100 WeakPolarHBondContact CA-O 3.48Å; V927-W1101 HydrophobicContact CG2-CD2 4.1Å; V927-W1101 HydrophobicContact CG2-CE3 3.99Å; V927-W1101 HydrophobicContact CG2-CH2 3.81Å; V927-W1101 HydrophobicContact CG2-CZ2 3.91Å; V927-W1101 HydrophobicContact CG2-CZ3 3.85Å |
| 928 | S | 82.5 | Confident | 80.1 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | trans | -135.8 | 79.8 | -175.1 | -173.7 | 0 | 0 | 0 | 0 | 109 | R1100 H1102 | S928-R1100 PolarHBondContact N-O 2.94Å; S928-R1100 PolarHBondContact O-NE 2.97Å; S928-R1100 PolarHBondContact O-NH2 2.88Å; S928-H1102 VanDerWaalsContact CB-ND1 3.32Å; S928-H1102 WeakPolarHBondContact CB-ND1 3.34Å; S928-H1102 PolarHBondContact OG-ND1 3.15Å; S928-H1102 VanDerWaalsContact OG-ND1 3.08Å | ||
| 929 | P | 77.6 | Confident | 79.3 | Confident | 24 Ų | 24 | 46 Ų | 46 | 16% | 0.156 | 24% | 0.235 | C | C | . | . | trans | -62.9 | 154.6 | -176.6 | -18.3 | 31.2 | 0 | 0 | 0 | 112.4 | V927 L1062 L1065 A1075 R1100 | V927-P929 HydrophobicContact CG1-CG 4.26Å; P929-L1062 HydrophobicContact CG-CD2 4.24Å; P929-L1065 HydrophobicContact CB-CD1 3.61Å; P929-L1065 HydrophobicContact CB-CD2 4.26Å; P929-L1065 HydrophobicContact CG-CD1 3.92Å; P929-L1065 HydrophobicContact CG-CD2 3.78Å; P929-L1065 HydrophobicContact CG-CG 4.4Å; P929-A1075 HydrophobicContact CG-CB 4.06Å; P929-R1100 PolarHBondContact O-NH2 2.69Å | ||
| 930 | E | 80.9 | Confident | 78.2 | Confident | 17 Ų | 17 | 45 Ų | 45 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | trans | -73.3 | 137.4 | 175.3 | -159.3 | -75 | 117.1 | 0 | 0 | 111.3 | T628 S932 L933 | T628-E930 WeakPolarHBondContact CG2-OE1 3.43Å; E930-S932 VanDerWaalsContact CD-N 3.31Å; E930-S932 PolarHBondContact O-N 3.24Å; E930-S932 PolarHBondContact OE1-N 2.92Å; E930-S932 WeakPolarHBondContact OE2-CB 3.44Å; E930-S932 PolarHBondContact OE2-N 2.85Å; E930-S932 VanDerWaalsContact OE2-N 3.08Å; E930-S932 PolarHBondContact OE2-OG 3.16Å; E930-L933 HydrophobicContact CB-CD1 4.29Å; E930-L933 HydrophobicContact CB-CG 4.49Å; E930-L933 VanDerWaalsContact O-CB 3.26Å; E930-L933 WeakPolarHBondContact O-CB 3.17Å; E930-L933 WeakPolarHBondContact O-CG 3.5Å; E930-L933 PolarHBondContact O-N 3.44Å | ||
| 931 | L | 76.4 | Confident | 77 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -67.6 | -30.6 | -169 | -69.9 | 176.6 | 0 | 0 | 0 | 113.3 | P641 W642 L933 L934 Y935 V1053 | P641-L931 WeakPolarHBondContact O-CB 3.4Å; P641-L931 VanDerWaalsContact O-CD1 3.3Å; P641-L931 WeakPolarHBondContact O-CD1 3.34Å; W642-L931 WeakPolarHBondContact O-CD1 3.23Å; L931-L933 PolarHBondContact O-N 2.72Å; L931-L933 VanDerWaalsContact O-N 3.15Å; L931-L934 HydrophobicContact CD2-CD1 3.92Å; L931-L934 WeakPolarHBondContact O-CB 3.37Å; L931-L934 PolarHBondContact O-N 3.14Å; L931-L934 VanDerWaalsContact O-N 3.08Å; L931-Y935 WeakPolarHBondContact O-CD2 3.24Å; L931-V1053 HydrophobicContact CD2-CG1 4.07Å |
| 932 | S | 78.5 | Confident | 75.7 | Confident | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -61.1 | -23.7 | 177.4 | 81.7 | 0 | 0 | 0 | 0 | 112.8 | N629 E930 L934 Y935 | N629-S932 VanDerWaalsContact CB-OG 3.27Å; N629-S932 WeakPolarHBondContact CB-OG 3.12Å; N629-S932 PolarHBondContact N-OG 3.16Å; N629-S932 PolarHBondContact ND2-OG 2.86Å; N629-S932 VanDerWaalsContact ND2-OG 3.1Å; N629-S932 VanDerWaalsContact O-CB 3.31Å; N629-S932 WeakPolarHBondContact O-CB 3.47Å; E930-S932 VanDerWaalsContact CD-N 3.31Å; E930-S932 PolarHBondContact O-N 3.24Å; E930-S932 PolarHBondContact OE1-N 2.92Å; E930-S932 WeakPolarHBondContact OE2-CB 3.44Å; E930-S932 PolarHBondContact OE2-N 2.85Å; E930-S932 VanDerWaalsContact OE2-N 3.08Å; E930-S932 PolarHBondContact OE2-OG 3.16Å; S932-L934 PolarHBondContact O-N 3.23Å; S932-Y935 PolarHBondContact O-N 3.43Å; S932-Y935 VanDerWaalsContact O-N 3.12Å |
| 933 | L | 75.7 | Confident | 74.9 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -66 | -19 | 177.2 | -63.1 | 174.2 | 0 | 0 | 0 | 113.5 | E930 L931 Y935 E1077 F1086 T1088 | E930-L933 HydrophobicContact CB-CD1 4.29Å; E930-L933 HydrophobicContact CB-CG 4.49Å; E930-L933 VanDerWaalsContact O-CB 3.26Å; E930-L933 WeakPolarHBondContact O-CB 3.17Å; E930-L933 WeakPolarHBondContact O-CG 3.5Å; E930-L933 PolarHBondContact O-N 3.44Å; L931-L933 PolarHBondContact O-N 2.72Å; L931-L933 VanDerWaalsContact O-N 3.15Å; L933-Y935 VanDerWaalsContact C-N 3.29Å; L933-E1077 HydrophobicContact CD1-CG 3.71Å; L933-E1077 WeakPolarHBondContact CD1-OE1 3.41Å; L933-F1086 VanDerWaalsContact CD2-O 3.32Å; L933-F1086 WeakPolarHBondContact CD2-O 3.36Å; L933-T1088 HydrophobicContact CB-CG2 3.82Å; L933-T1088 WeakPolarHBondContact O-CG2 3.48Å |
| 934 | L | 68.4 | Low | 74.3 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -80.1 | -14.2 | 177.2 | -59.4 | 169.5 | 0 | 0 | 0 | 112.1 | L931 S932 V1049 V1053 L1064 L1065 L1068 | L931-L934 HydrophobicContact CD2-CD1 3.92Å; L931-L934 WeakPolarHBondContact O-CB 3.37Å; L931-L934 PolarHBondContact O-N 3.14Å; L931-L934 VanDerWaalsContact O-N 3.08Å; S932-L934 PolarHBondContact O-N 3.23Å; L934-V1049 HydrophobicContact CB-CG1 4.39Å; L934-V1053 HydrophobicContact CB-CG2 4.31Å; L934-V1053 HydrophobicContact CD1-CG1 4.26Å; L934-V1053 HydrophobicContact CD1-CG2 3.58Å; L934-V1053 HydrophobicContact CG-CG2 4.49Å; L934-L1064 HydrophobicContact CD2-CD2 4.15Å; L934-L1064 HydrophobicContact CD2-CG 4.37Å; L934-L1065 HydrophobicContact CD2-CB 3.9Å; L934-L1065 HydrophobicContact CD2-CD1 3.6Å; L934-L1065 HydrophobicContact CD2-CG 4.23Å; L934-L1065 HydrophobicContact CG-CD1 4.37Å; L934-L1068 HydrophobicContact CD2-CD1 4.09Å |
| 935 | Y | 69.6 | Low | 73.8 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | trans | -92.3 | 123.5 | -179.1 | -67 | -100.2 | 0 | 0 | 0 | 110.7 | V631 P641 L931 S932 L933 A939 V1049 | V631-Y935 HydrophobicContact CG1-CD1 3.53Å; V631-Y935 HydrophobicContact CG1-CE1 4.18Å; V631-Y935 HydrophobicContact CG1-CG 3.78Å; V631-Y935 HydrophobicContact CG2-CD2 4.17Å; V631-Y935 HydrophobicContact CG2-CG 3.97Å; P641-Y935 HydrophobicContact CB-CD2 4.46Å; P641-Y935 HydrophobicContact CB-CE2 3.64Å; P641-Y935 HydrophobicContact CG-CD2 4.17Å; P641-Y935 HydrophobicContact CG-CE2 3.8Å; L931-Y935 WeakPolarHBondContact O-CD2 3.24Å; S932-Y935 PolarHBondContact O-N 3.43Å; S932-Y935 VanDerWaalsContact O-N 3.12Å; L933-Y935 VanDerWaalsContact C-N 3.29Å; Y935-A939 HydrophobicContact CD1-CB 3.8Å; Y935-A939 HydrophobicContact CG-CB 4.38Å; Y935-V1049 HydrophobicContact CE1-CG1 4.42Å | ||
| 936 | K | 68 | Low | 73.6 | Confident | 119 Ų | 119 | 39.7 Ų | 39.7 | 52% | 0.517 | 21% | 0.205 | S | C | . | . | trans | -77 | 166.7 | 172.9 | -66 | 178.5 | -176.4 | 171.8 | 0 | 110.9 | D938 A939 | K936-D938 WeakPolarHBondContact CB-OD1 3.49Å; K936-D938 PolarHBondContact O-N 3.19Å; K936-D938 VanDerWaalsContact O-N 3.16Å; K936-A939 WeakPolarHBondContact O-CB 3.23Å; K936-A939 PolarHBondContact O-N 3.23Å | ||
| 937 | K | 68.3 | Low | 73.7 | Confident | 131 Ų | 131 | 39.1 Ų | 39.1 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26 | 176.9 | -70.6 | -173.3 | 178 | -179.4 | 0 | 113.7 | F944 | K937-F944 HydrophobicContact CB-CE2 4.17Å; K937-F944 HydrophobicContact CB-CZ 4.18Å |
| 938 | D | 65.3 | Low | 74 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 2.9 | 177.4 | 64 | -23.2 | 0 | 0 | 0 | 113.3 | K936 G940 K941 F944 R1036 | K936-D938 WeakPolarHBondContact CB-OD1 3.49Å; K936-D938 PolarHBondContact O-N 3.19Å; K936-D938 VanDerWaalsContact O-N 3.16Å; D938-G940 PolarHBondContact O-N 2.94Å; D938-K941 PolarHBondContact O-N 2.95Å; D938-K941 VanDerWaalsContact O-N 3.12Å; D938-F944 HydrophobicContact CB-CB 4.34Å; D938-F944 HydrophobicContact CB-CD1 4.24Å; D938-F944 HydrophobicContact CB-CD2 3.39Å; D938-F944 HydrophobicContact CB-CE1 4.41Å; D938-F944 HydrophobicContact CB-CE2 3.61Å; D938-F944 HydrophobicContact CB-CG 3.73Å; D938-F944 HydrophobicContact CB-CZ 4.12Å; D938-R1036 IonicContact OD2-CZ 3.14Å; D938-R1036 IonicContact OD2-NH1 3.28Å; D938-R1036 PolarHBondContact OD2-NH1 2.68Å; D938-R1036 IonicContact OD2-NH2 2.84Å; D938-R1036 PolarHBondContact OD2-NH2 3.45Å |
| 939 | A | 63.8 | Low | 74.4 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 129.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y935 K936 K941 | Y935-A939 HydrophobicContact CD1-CB 3.8Å; Y935-A939 HydrophobicContact CG-CB 4.38Å; K936-A939 WeakPolarHBondContact O-CB 3.23Å; K936-A939 PolarHBondContact O-N 3.23Å; A939-K941 PolarHBondContact O-N 3.17Å |
| 940 | G | 60.9 | Low | 75.1 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -16.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G634 D938 | G634-G940 WeakPolarHBondContact CA-O 3.28Å; D938-G940 PolarHBondContact O-N 2.94Å |
| 941 | K | 66.1 | Low | 75.7 | Confident | 57 Ų | 57 | 37.3 Ų | 37.3 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | trans | -79.7 | 139.5 | -175.2 | -60.9 | -167.2 | 171.8 | -170.1 | 0 | 111.6 | D938 A939 S943 F944 W987 | D938-K941 PolarHBondContact O-N 2.95Å; D938-K941 VanDerWaalsContact O-N 3.12Å; A939-K941 PolarHBondContact O-N 3.17Å; K941-S943 WeakPolarHBondContact CB-O 3.24Å; K941-F944 HydrophobicContact CD-CD2 3.95Å; K941-F944 HydrophobicContact CD-CE2 4.47Å; K941-W987 WeakPolarHBondContact O-CH2 3.41Å; K941-W987 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 942 | T | 61.6 | Low | 76.5 | Confident | 79 Ų | 79 | 37.4 Ų | 37.4 | 49% | 0.485 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -96.5 | -23 | 174.7 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | W987 I1037 L1038 | T942-W987 WeakPolarHBondContact O-CZ3 3.4Å; T942-I1037 WeakPolarHBondContact O-CA 3.23Å; T942-L1038 PolarHBondContact O-N 2.82Å |
| 943 | S | 69.4 | Low | 77.2 | Confident | 71 Ų | 71 | 40.8 Ų | 40.8 | 50% | 0.497 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.3 | 164.7 | 72.5 | 0 | 0 | 0 | 0 | 109.4 | K941 R1036 | K941-S943 WeakPolarHBondContact CB-O 3.24Å; S943-R1036 CarbonylContact C-O 3.59Å; S943-R1036 WeakPolarHBondContact CA-O 3.24Å |
| 944 | F | 74.8 | Confident | 77.9 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.4 | -179.2 | -171.3 | -98.5 | 0 | 0 | 0 | 110.2 | K937 D938 K941 E946 W987 S1035 R1036 | K937-F944 HydrophobicContact CB-CE2 4.17Å; K937-F944 HydrophobicContact CB-CZ 4.18Å; D938-F944 HydrophobicContact CB-CB 4.34Å; D938-F944 HydrophobicContact CB-CD1 4.24Å; D938-F944 HydrophobicContact CB-CD2 3.39Å; D938-F944 HydrophobicContact CB-CE1 4.41Å; D938-F944 HydrophobicContact CB-CE2 3.61Å; D938-F944 HydrophobicContact CB-CG 3.73Å; D938-F944 HydrophobicContact CB-CZ 4.12Å; K941-F944 HydrophobicContact CD-CD2 3.95Å; K941-F944 HydrophobicContact CD-CE2 4.47Å; F944-E946 HydrophobicContact CD1-CG 4.3Å; F944-E946 HydrophobicContact CE1-CG 4.47Å; F944-E946 WeakPolarHBondContact CE1-OE1 3.32Å; F944-E946 PolarHBondContact O-N 3.31Å; F944-W987 HydrophobicContact CB-CH2 3.94Å; F944-W987 HydrophobicContact CB-CZ3 3.94Å; F944-S1035 WeakPolarHBondContact O-CA 3.45Å; F944-R1036 HydrophobicContact CB-CG 4.02Å; F944-R1036 PolarHBondContact N-O 3.07Å; F944-R1036 WeakPolarHBondContact O-CG 3.44Å; F944-R1036 PolarHBondContact O-N 2.79Å |
| 945 | V | 81.2 | Confident | 78.7 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.2 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 108 | I1033 | V945-I1033 HydrophobicContact CG1-CB 3.69Å; V945-I1033 HydrophobicContact CG1-CG2 3.89Å |
| 946 | E | 85.6 | Confident | 79.1 | Confident | 30 Ų | 30 | 46 Ų | 46 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 136.6 | 164.4 | -76.6 | -61.1 | 160.9 | 0 | 0 | 109.6 | F944 W989 W993 I1033 R1034 R1036 | F944-E946 HydrophobicContact CD1-CG 4.3Å; F944-E946 HydrophobicContact CE1-CG 4.47Å; F944-E946 WeakPolarHBondContact CE1-OE1 3.32Å; F944-E946 PolarHBondContact O-N 3.31Å; E946-W989 HydrophobicContact CB-CH2 4.45Å; E946-W989 HydrophobicContact CB-CZ3 4.21Å; E946-W989 HydrophobicContact CG-CH2 3.84Å; E946-W989 HydrophobicContact CG-CZ3 3.85Å; E946-W993 HydrophobicContact CB-CH2 4.02Å; E946-I1033 CarbonylContact O-C 3.52Å; E946-I1033 VanDerWaalsContact O-CA 3.29Å; E946-I1033 WeakPolarHBondContact O-CA 3.04Å; E946-R1034 PolarHBondContact N-O 3.5Å; E946-R1034 PolarHBondContact O-N 2.97Å; E946-R1036 IonicContact OE1-CZ 3.96Å; E946-R1036 IonicContact OE1-NE 3.47Å; E946-R1036 PolarHBondContact OE1-NE 2.78Å; E946-R1036 VanDerWaalsContact OE1-NE 3.17Å; E946-R1036 IonicContact OE1-NH2 3.59Å; E946-R1036 PolarHBondContact OE1-NH2 2.82Å |
| 947 | E | 88.7 | Confident | 79.8 | Confident | 45 Ų | 45 | 47 Ų | 47 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.5 | 179.6 | 64.6 | 177.6 | 179 | 0 | 0 | 110.7 | R1031 L1032 I1033 | E947-R1031 IonicContact OE2-CZ 3.88Å; E947-R1031 VanDerWaalsContact OE2-CZ 3.23Å; E947-R1031 IonicContact OE2-NE 2.97Å; E947-R1031 PolarHBondContact OE2-NE 2.7Å; E947-R1031 IonicContact OE2-NH2 3.14Å; E947-R1031 PolarHBondContact OE2-NH2 2.74Å; E947-L1032 WeakPolarHBondContact CA-O 3.16Å; E947-I1033 HydrophobicContact CB-CG2 4.4Å |
| 948 | L | 90.2 | Very high | 80.6 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 139.4 | -179.7 | -163.1 | 110.2 | 0 | 0 | 0 | 108.6 | Y967 K975 P978 V981 W993 L1032 | L948-Y967 HydrophobicContact CD2-CD1 3.23Å; L948-Y967 HydrophobicContact CD2-CE1 3.91Å; L948-Y967 HydrophobicContact CD2-CG 3.81Å; L948-Y967 HydrophobicContact CG-CD1 4.35Å; L948-K975 HydrophobicContact CD1-CB 3.58Å; L948-K975 HydrophobicContact CD1-CG 4.16Å; L948-K975 HydrophobicContact CG-CB 4.5Å; L948-P978 HydrophobicContact CD2-CG 3.86Å; L948-V981 HydrophobicContact CD1-CG2 4.09Å; L948-W993 HydrophobicContact CB-CH2 3.66Å; L948-W993 HydrophobicContact CB-CZ3 3.64Å; L948-W993 HydrophobicContact CD1-CH2 4.49Å; L948-L1032 HydrophobicContact CB-CB 4.47Å; L948-L1032 HydrophobicContact CD2-CD1 4.3Å; L948-L1032 PolarHBondContact N-O 2.77Å; L948-L1032 WeakPolarHBondContact O-CA 3.42Å; L948-L1032 PolarHBondContact O-N 2.82Å |
| 949 | F | 90.8 | Very high | 81.8 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.2 | -179.8 | -71.2 | -98.7 | 0 | 0 | 0 | 109 | N951 Y967 T968 A970 E1007 R1029 R1030 R1031 | F949-N951 PolarHBondContact O-ND2 3.41Å; F949-Y967 CarbonylContact O-C 3.48Å; F949-Y967 VanDerWaalsContact O-CA 3.26Å; F949-Y967 WeakPolarHBondContact O-CA 3.43Å; F949-T968 PolarHBondContact N-O 2.83Å; F949-T968 PolarHBondContact O-N 3.41Å; F949-A970 HydrophobicContact CD2-CB 4.26Å; F949-A970 VanDerWaalsContact CE2-CA 3.42Å; F949-A970 HydrophobicContact CE2-CB 3.53Å; F949-A970 HydrophobicContact CZ-CB 3.97Å; F949-E1007 WeakPolarHBondContact CE1-OE1 3Å; F949-R1029 HydrophobicContact CB-CB 4.5Å; F949-R1029 HydrophobicContact CD1-CB 4.41Å; F949-R1029 VanDerWaalsContact CD1-CD 3.47Å; F949-R1029 HydrophobicContact CD1-CG 3.84Å; F949-R1030 CarbonylContact C-O 3.54Å; F949-R1030 VanDerWaalsContact CA-O 3.3Å; F949-R1030 WeakPolarHBondContact CA-O 3.46Å; F949-R1031 HydrophobicContact CD1-CB 4.02Å; F949-R1031 HydrophobicContact CD1-CG 4.38Å; F949-R1031 HydrophobicContact CE1-CB 3.62Å; F949-R1031 HydrophobicContact CE1-CG 3.8Å; F949-R1031 HydrophobicContact CE2-CG 4.02Å; F949-R1031 HydrophobicContact CZ-CB 3.99Å; F949-R1031 HydrophobicContact CZ-CG 3.6Å |
| 950 | Y | 93.2 | Very high | 83.1 | Confident | 30 Ų | 30 | 48 Ų | 48 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.2 | 171 | 171.7 | -103.7 | 0 | 0 | 0 | 109.3 | E952 V962 A966 Y967 F1006 R1029 R1030 | Y950-E952 HydrophobicContact CD1-CG 4.31Å; Y950-E952 HydrophobicContact CE1-CG 3.67Å; Y950-E952 VanDerWaalsContact CE1-OE1 3.31Å; Y950-E952 WeakPolarHBondContact CE1-OE1 3.47Å; Y950-V962 HydrophobicContact CE2-CG1 4.23Å; Y950-V962 WeakPolarHBondContact OH-CG2 3.34Å; Y950-A966 CarbonylContact C-O 3.41Å; Y950-A966 WeakPolarHBondContact CA-O 3.18Å; Y950-Y967 AromaticContact CD2-CD1 3.89Å; Y950-Y967 HydrophobicContact CD2-CD1 3.89Å; Y950-Y967 AromaticContact CD2-CE1 3.4Å; Y950-Y967 HydrophobicContact CD2-CE1 3.4Å; Y950-Y967 VanDerWaalsContact CD2-CE1 3.4Å; Y950-Y967 HydrophobicContact CD2-CE2 4.42Å; Y950-Y967 AromaticContact CD2-CZ 3.69Å; Y950-Y967 HydrophobicContact CE2-CE1 4.34Å; Y950-Y967 HydrophobicContact CG-CD1 4.45Å; Y950-Y967 HydrophobicContact CG-CE1 4.04Å; Y950-F1006 HydrophobicContact CD1-CE1 4.28Å; Y950-F1006 HydrophobicContact CD1-CZ 4.28Å; Y950-F1006 HydrophobicContact CE1-CZ 4.37Å; Y950-R1029 CarbonylContact O-C 3.55Å; Y950-R1029 WeakPolarHBondContact O-CA 3.21Å; Y950-R1030 HydrophobicContact CD1-CG 3.9Å; Y950-R1030 HydrophobicContact CG-CG 4.27Å; Y950-R1030 PolarHBondContact N-O 3.04Å; Y950-R1030 PolarHBondContact O-N 2.9Å |
| 951 | N | 92.7 | Very high | 84.5 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.5 | -170 | -55.2 | -69.3 | 0 | 0 | 0 | 111.5 | F949 A963 A966 T968 R1029 | F949-N951 PolarHBondContact O-ND2 3.41Å; N951-A963 HydrophobicContact CB-CB 3.87Å; N951-A963 WeakPolarHBondContact O-CB 3.46Å; N951-A963 PolarHBondContact O-N 2.98Å; N951-A966 PolarHBondContact N-O 3.02Å; N951-T968 VanDerWaalsContact ND2-CG2 3.25Å; N951-T968 WeakPolarHBondContact ND2-CG2 3.27Å; N951-T968 PolarHBondContact ND2-OG1 3.42Å; N951-R1029 WeakPolarHBondContact OD1-CB 3.31Å |
| 952 | E | 94 | Very high | 85.6 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.6 | 171.6 | -67.3 | -175.6 | 171.3 | 0 | 0 | 110.3 | Y950 W960 K961 F1006 F1027 R1028 | Y950-E952 HydrophobicContact CD1-CG 4.31Å; Y950-E952 HydrophobicContact CE1-CG 3.67Å; Y950-E952 VanDerWaalsContact CE1-OE1 3.31Å; Y950-E952 WeakPolarHBondContact CE1-OE1 3.47Å; E952-W960 HydrophobicContact CB-CB 4.5Å; E952-W960 HydrophobicContact CB-CE3 4.19Å; E952-W960 WeakPolarHBondContact OE2-CB 3.09Å; E952-K961 CarbonylContact C-O 3.44Å; E952-K961 WeakPolarHBondContact CA-O 3.28Å; E952-K961 WeakPolarHBondContact CB-O 3.37Å; E952-F1006 HydrophobicContact CG-CE1 4.28Å; E952-F1006 HydrophobicContact CG-CZ 4.48Å; E952-F1027 WeakPolarHBondContact O-CA 3.33Å; E952-R1028 HydrophobicContact CB-CG 3.9Å; E952-R1028 PolarHBondContact N-O 3.3Å; E952-R1028 PolarHBondContact O-N 2.77Å; E952-R1028 VanDerWaalsContact O-O 3.08Å; E952-R1028 IonicContact OE1-NH2 2.71Å; E952-R1028 IonicContact OE2-CZ 2.89Å; E952-R1028 IonicContact OE2-NE 2.81Å; E952-R1028 PolarHBondContact OE2-NE 2.82Å; E952-R1028 IonicContact OE2-NH2 2.97Å; E952-R1028 PolarHBondContact OE2-NH2 3.1Å |
| 953 | F | 92.3 | Very high | 86.8 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 157.5 | 177.4 | 87.9 | -77.7 | 0 | 0 | 0 | 111.2 | K961 V962 A963 M1026 F1027 | F953-K961 HydrophobicContact CD1-CB 4.3Å; F953-K961 WeakPolarHBondContact CD1-O 3.37Å; F953-K961 HydrophobicContact CE1-CB 3.93Å; F953-K961 PolarHBondContact N-O 3.36Å; F953-K961 PolarHBondContact O-N 2.64Å; F953-V962 WeakPolarHBondContact CD1-O 3.4Å; F953-V962 WeakPolarHBondContact CE1-O 3.22Å; F953-A963 HydrophobicContact CB-CB 4.22Å; F953-A963 HydrophobicContact CD1-CB 4.27Å; F953-M1026 CarbonylContact C-O 3.5Å; F953-M1026 VanDerWaalsContact CA-O 3.24Å; F953-M1026 WeakPolarHBondContact CA-O 3.49Å; F953-F1027 HydrophobicContact CB-CD1 3.77Å; F953-F1027 HydrophobicContact CB-CE1 3.61Å; F953-F1027 HydrophobicContact CB-CZ 4.24Å |
| 954 | R | 90.7 | Very high | 87.3 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | trans | -149.1 | 167.4 | 169.7 | 71.9 | 174.9 | 179.3 | -172.3 | 1.3 | 111 | W960 E1021 K1022 H1025 M1026 | R954-W960 HydrophobicContact CB-CD2 4.1Å; R954-W960 HydrophobicContact CB-CE3 3.79Å; R954-W960 HydrophobicContact CB-CZ3 4.12Å; R954-W960 VanDerWaalsContact CD-CE2 3.48Å; R954-W960 HydrophobicContact CG-CD2 3.99Å; R954-W960 HydrophobicContact CG-CE3 3.73Å; R954-W960 HydrophobicContact CG-CH2 3.77Å; R954-W960 HydrophobicContact CG-CZ2 4.03Å; R954-W960 HydrophobicContact CG-CZ3 3.61Å; R954-E1021 IonicContact CZ-OE1 3.15Å; R954-E1021 IonicContact NH1-OE1 3.58Å; R954-E1021 PolarHBondContact NH1-OE1 3.37Å; R954-E1021 IonicContact NH1-OE2 3.91Å; R954-E1021 VanDerWaalsContact NH2-CD 3.33Å; R954-E1021 IonicContact NH2-OE1 3.66Å; R954-E1021 PolarHBondContact NH2-OE1 3.25Å; R954-K1022 PolarHBondContact NH2-O 3.41Å; R954-K1022 VanDerWaalsContact NH2-O 3.11Å; R954-H1025 PolarHBondContact NE-O 3.39Å; R954-H1025 PolarHBondContact NH2-O 2.91Å; R954-M1026 PolarHBondContact N-O 3.41Å; R954-M1026 WeakPolarHBondContact O-CA 3.48Å; R954-M1026 VanDerWaalsContact O-CB 3.27Å; R954-M1026 WeakPolarHBondContact O-CB 3.45Å | ||
| 955 | T | 85 | Confident | 87.7 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | trans | -99.5 | 161 | 157.4 | 59.8 | 0 | 0 | 0 | 0 | 108.8 | T957 S958 | T955-T957 PolarHBondContact O-N 2.94Å; T955-S958 PolarHBondContact N-OG 2.97Å; T955-S958 PolarHBondContact O-N 3.23Å; T955-S958 PolarHBondContact O-OG 3.17Å; T955-S958 WeakPolarHBondContact OG1-CB 3.41Å; T955-S958 PolarHBondContact OG1-N 2.92Å; T955-S958 PolarHBondContact OG1-OG 3.03Å | ||
| 956 | P | 79.8 | Confident | 88 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -18.7 | 179.4 | -28.7 | 35.9 | 0 | 0 | 0 | 115.2 | ||
| 957 | T | 81.7 | Confident | 88.2 | Confident | 139 Ų | 139 | 56.8 Ų | 56.8 | 85% | 0.853 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -1.8 | -179.9 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | T955 | T955-T957 PolarHBondContact O-N 2.94Š|
| 958 | S | 85.4 | Confident | 88.1 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -111.4 | 153.5 | -177.7 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | T955 | T955-S958 PolarHBondContact N-OG 2.97Å; T955-S958 PolarHBondContact O-N 3.23Å; T955-S958 PolarHBondContact O-OG 3.17Å; T955-S958 WeakPolarHBondContact OG1-CB 3.41Å; T955-S958 PolarHBondContact OG1-N 2.92Å; T955-S958 PolarHBondContact OG1-OG 3.03Å |
| 959 | P | 89.8 | Confident | 87.7 | Confident | 96 Ų | 96 | 56.1 Ų | 56.1 | 62% | 0.623 | 30% | 0.302 | S | S | * | . | trans | -66.4 | 162.3 | 168.3 | 29.6 | -35.1 | 0 | 0 | 0 | 111.2 | ||||
| 960 | W | 91.3 | Very high | 87.1 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | trans | -62.3 | 135.4 | 173.3 | -66.1 | 111.1 | 0 | 0 | 0 | 111.3 | E952 R954 Y1008 E1021 M1026 R1028 | E952-W960 HydrophobicContact CB-CB 4.5Å; E952-W960 HydrophobicContact CB-CE3 4.19Å; E952-W960 WeakPolarHBondContact OE2-CB 3.09Å; R954-W960 HydrophobicContact CB-CD2 4.1Å; R954-W960 HydrophobicContact CB-CE3 3.79Å; R954-W960 HydrophobicContact CB-CZ3 4.12Å; R954-W960 VanDerWaalsContact CD-CE2 3.48Å; R954-W960 HydrophobicContact CG-CD2 3.99Å; R954-W960 HydrophobicContact CG-CE3 3.73Å; R954-W960 HydrophobicContact CG-CH2 3.77Å; R954-W960 HydrophobicContact CG-CZ2 4.03Å; R954-W960 HydrophobicContact CG-CZ3 3.61Å; W960-Y1008 HydrophobicContact CH2-CD1 4.04Å; W960-Y1008 HydrophobicContact CH2-CE1 4.27Å; W960-Y1008 AromaticContact CZ2-CD1 3.7Å; W960-Y1008 HydrophobicContact CZ2-CD1 3.7Å; W960-Y1008 AromaticContact CZ2-CE1 3.54Å; W960-Y1008 HydrophobicContact CZ2-CE1 3.54Å; W960-E1021 PolarHBondContact NE1-OE2 3.22Å; W960-M1026 WeakPolarHBondContact CZ3-O 3.32Å; W960-R1028 VanDerWaalsContact CD1-CZ 3.41Å; W960-R1028 HydrophobicContact CD2-CG 3.92Å; W960-R1028 HydrophobicContact CE3-CB 4.43Å; W960-R1028 HydrophobicContact CE3-CG 3.65Å; W960-R1028 HydrophobicContact CH2-CB 3.81Å; W960-R1028 HydrophobicContact CH2-CG 3.9Å; W960-R1028 HydrophobicContact CZ2-CB 4.22Å; W960-R1028 HydrophobicContact CZ2-CG 4.15Å; W960-R1028 HydrophobicContact CZ3-CB 3.92Å; W960-R1028 HydrophobicContact CZ3-CG 3.63Å | ||
| 961 | K | 90.9 | Very high | 86.2 | Confident | 122 Ų | 122 | 59.1 Ų | 59.1 | 53% | 0.53 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.1 | 177.7 | -65.3 | -178.9 | -177.8 | 179.5 | 0 | 109.4 | E952 F953 A963 | E952-K961 CarbonylContact C-O 3.44Å; E952-K961 WeakPolarHBondContact CA-O 3.28Å; E952-K961 WeakPolarHBondContact CB-O 3.37Å; F953-K961 HydrophobicContact CD1-CB 4.3Å; F953-K961 WeakPolarHBondContact CD1-O 3.37Å; F953-K961 HydrophobicContact CE1-CB 3.93Å; F953-K961 PolarHBondContact N-O 3.36Å; F953-K961 PolarHBondContact O-N 2.64Å; K961-A963 PolarHBondContact O-N 3.22Å |
| 962 | V | 89.5 | Confident | 85.1 | Confident | 75 Ų | 75 | 60 Ų | 60 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 126.9 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | Y950 F953 A966 | Y950-V962 HydrophobicContact CE2-CG1 4.23Å; Y950-V962 WeakPolarHBondContact OH-CG2 3.34Å; F953-V962 WeakPolarHBondContact CD1-O 3.4Å; F953-V962 WeakPolarHBondContact CE1-O 3.22Å; V962-A966 HydrophobicContact CG1-CB 3.41Å; V962-A966 VanDerWaalsContact CG1-CB 3.41Å |
| 963 | A | 86 | Confident | 84.3 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 5% | 0.05 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 157.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N951 F953 K961 P965 A966 | N951-A963 HydrophobicContact CB-CB 3.87Å; N951-A963 WeakPolarHBondContact O-CB 3.46Å; N951-A963 PolarHBondContact O-N 2.98Å; F953-A963 HydrophobicContact CB-CB 4.22Å; F953-A963 HydrophobicContact CD1-CB 4.27Å; K961-A963 PolarHBondContact O-N 3.22Å; A963-P965 CarbonylContact O-C 3.58Å; A963-A966 WeakPolarHBondContact O-CA 3.44Å; A963-A966 PolarHBondContact O-N 3.45Å |
| 964 | E | 80.8 | Confident | 83.8 | Confident | 197 Ų | 197 | 62.7 Ų | 62.7 | 92% | 0.921 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 113.6 | 164.6 | -74.6 | -169.1 | 172.6 | 0 | 0 | 108.3 | ||
| 965 | P | 82 | Confident | 83.3 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 29% | 0.292 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -77.4 | 144.2 | 1.3 | 32.3 | -36.7 | 0 | 0 | 0 | 114.6 | A963 T968 L974 | A963-P965 CarbonylContact O-C 3.58Å; P965-T968 HydrophobicContact CB-CG2 4.18Å; P965-T968 HydrophobicContact CG-CG2 3.44Å; P965-T968 VanDerWaalsContact CG-CG2 3.44Å; P965-L974 HydrophobicContact CB-CB 4.21Å; P965-L974 HydrophobicContact CB-CD1 3.4Å; P965-L974 HydrophobicContact CB-CG 4.36Å |
| 966 | A | 87.1 | Confident | 83 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -35.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y950 N951 V962 A963 | Y950-A966 CarbonylContact C-O 3.41Å; Y950-A966 WeakPolarHBondContact CA-O 3.18Å; N951-A966 PolarHBondContact N-O 3.02Å; V962-A966 HydrophobicContact CG1-CB 3.41Å; V962-A966 VanDerWaalsContact CG1-CB 3.41Å; A963-A966 WeakPolarHBondContact O-CA 3.44Å; A963-A966 PolarHBondContact O-N 3.45Å |
| 967 | Y | 90.4 | Very high | 83.2 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.5 | -179.4 | -63.8 | -74.7 | 0 | 0 | 0 | 110.2 | L948 F949 Y950 K975 E977 P978 L1032 | L948-Y967 HydrophobicContact CD2-CD1 3.23Å; L948-Y967 HydrophobicContact CD2-CE1 3.91Å; L948-Y967 HydrophobicContact CD2-CG 3.81Å; L948-Y967 HydrophobicContact CG-CD1 4.35Å; F949-Y967 CarbonylContact O-C 3.48Å; F949-Y967 VanDerWaalsContact O-CA 3.26Å; F949-Y967 WeakPolarHBondContact O-CA 3.43Å; Y950-Y967 AromaticContact CD2-CD1 3.89Å; Y950-Y967 HydrophobicContact CD2-CD1 3.89Å; Y950-Y967 AromaticContact CD2-CE1 3.4Å; Y950-Y967 HydrophobicContact CD2-CE1 3.4Å; Y950-Y967 VanDerWaalsContact CD2-CE1 3.4Å; Y950-Y967 HydrophobicContact CD2-CE2 4.42Å; Y950-Y967 AromaticContact CD2-CZ 3.69Å; Y950-Y967 HydrophobicContact CE2-CE1 4.34Å; Y950-Y967 HydrophobicContact CG-CD1 4.45Å; Y950-Y967 HydrophobicContact CG-CE1 4.04Å; Y967-K975 PolarHBondContact O-N 2.84Å; Y967-E977 HydrophobicContact CD2-CB 4.04Å; Y967-E977 HydrophobicContact CE2-CB 3.82Å; Y967-P978 HydrophobicContact CD1-CG 4.49Å; Y967-P978 HydrophobicContact CE1-CG 3.87Å; Y967-P978 VanDerWaalsContact CZ-CD 3.49Å; Y967-L1032 HydrophobicContact CE1-CD1 4.27Å |
| 968 | T | 87.2 | Confident | 83.2 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 172 | 178.5 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | F949 N951 P965 G972 E973 | F949-T968 PolarHBondContact N-O 2.83Å; F949-T968 PolarHBondContact O-N 3.41Å; N951-T968 VanDerWaalsContact ND2-CG2 3.25Å; N951-T968 WeakPolarHBondContact ND2-CG2 3.27Å; N951-T968 PolarHBondContact ND2-OG1 3.42Å; P965-T968 HydrophobicContact CB-CG2 4.18Å; P965-T968 HydrophobicContact CG-CG2 3.44Å; P965-T968 VanDerWaalsContact CG-CG2 3.44Å; T968-G972 WeakPolarHBondContact CG2-O 3.2Å; T968-E973 CarbonylContact C-O 3.25Å; T968-E973 WeakPolarHBondContact CA-O 3.01Å; T968-E973 WeakPolarHBondContact CB-O 3.43Å |
| 969 | D | 82.3 | Confident | 83 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 15% | 0.15 | 36% | 0.355 | C | S | . | . | trans | -79.6 | -175.3 | 158.7 | 67.9 | 13.3 | 0 | 0 | 0 | 111.7 | Q971 G972 E973 K975 | D969-Q971 PolarHBondContact O-N 2.86Å; D969-Q971 WeakPolarHBondContact OD1-CA 3.35Å; D969-Q971 WeakPolarHBondContact OD1-CB 3.4Å; D969-Q971 PolarHBondContact OD1-N 2.87Å; D969-G972 PolarHBondContact O-N 3.36Å; D969-G972 PolarHBondContact OD1-N 2.95Å; D969-E973 PolarHBondContact N-O 2.92Å; D969-E973 PolarHBondContact OD1-N 3.49Å; D969-K975 HydrophobicContact CB-CG 4.35Å | ||
| 970 | A | 77.7 | Confident | 82.6 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 21% | 0.207 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F949 R1029 | F949-A970 HydrophobicContact CD2-CB 4.26Å; F949-A970 VanDerWaalsContact CE2-CA 3.42Å; F949-A970 HydrophobicContact CE2-CB 3.53Å; F949-A970 HydrophobicContact CZ-CB 3.97Å; A970-R1029 PolarHBondContact O-NH1 2.9Å |
| 971 | Q | 73 | Confident | 82.1 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -4.6 | -178.4 | -69.4 | 69.1 | 49 | 0 | 0 | 112.7 | D969 | D969-Q971 PolarHBondContact O-N 2.86Å; D969-Q971 WeakPolarHBondContact OD1-CA 3.35Å; D969-Q971 WeakPolarHBondContact OD1-CB 3.4Å; D969-Q971 PolarHBondContact OD1-N 2.87Å |
| 972 | G | 71.3 | Confident | 81.4 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | trans | 91 | 9.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T968 D969 | T968-G972 WeakPolarHBondContact CG2-O 3.2Å; D969-G972 PolarHBondContact O-N 3.36Å; D969-G972 PolarHBondContact OD1-N 2.95Å | ||
| 973 | E | 77 | Confident | 80.8 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 19% | 0.187 | 36% | 0.356 | C | S | . | . | trans | -75.1 | 138.1 | 175.2 | -68 | -56.7 | 146.6 | 0 | 0 | 111.3 | T968 D969 K975 K1092 | T968-E973 CarbonylContact C-O 3.25Å; T968-E973 WeakPolarHBondContact CA-O 3.01Å; T968-E973 WeakPolarHBondContact CB-O 3.43Å; D969-E973 PolarHBondContact N-O 2.92Å; D969-E973 PolarHBondContact OD1-N 3.49Å; E973-K975 PolarHBondContact O-N 2.75Å; E973-K1092 WeakPolarHBondContact OE1-CB 3.18Å; E973-K1092 VanDerWaalsContact OE1-CG 3.23Å; E973-K1092 WeakPolarHBondContact OE1-CG 3.46Å; E973-K1092 PolarHBondContact OE1-N 2.99Å | ||
| 974 | L | 81.6 | Confident | 80.2 | Confident | 118 Ų | 118 | 67.8 Ų | 67.8 | 62% | 0.618 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -57.2 | 126.4 | -179 | 171.2 | 68.8 | 0 | 0 | 0 | 110.3 | P965 | P965-L974 HydrophobicContact CB-CB 4.21Å; P965-L974 HydrophobicContact CB-CD1 3.4Å; P965-L974 HydrophobicContact CB-CG 4.36Å |
| 975 | K | 80.3 | Confident | 79.8 | Confident | 85 Ų | 85 | 64.6 Ų | 64.6 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | trans | -116.3 | 156 | 169.6 | -76 | -77.8 | -172.3 | 162.1 | 0 | 109.7 | L948 Y967 D969 E973 | L948-K975 HydrophobicContact CD1-CB 3.58Å; L948-K975 HydrophobicContact CD1-CG 4.16Å; L948-K975 HydrophobicContact CG-CB 4.5Å; Y967-K975 PolarHBondContact O-N 2.84Å; D969-K975 HydrophobicContact CB-CG 4.35Å; E973-K975 PolarHBondContact O-N 2.75Å | ||
| 976 | G | 78.9 | Confident | 79.1 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 38% | 0.381 | 37% | 0.369 | S | S | . | . | trans | -64 | 162 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T980 | G976-T980 VanDerWaalsContact C-OG1 3.23Å; G976-T980 VanDerWaalsContact CA-OG1 3.23Å; G976-T980 WeakPolarHBondContact CA-OG1 3.17Å | ||
| 977 | E | 82.9 | Confident | 78.7 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | trans | -58 | 155.7 | 171.2 | 61.3 | -179.3 | 179.7 | 0 | 0 | 111.4 | Y967 N979 T980 | Y967-E977 HydrophobicContact CD2-CB 4.04Å; Y967-E977 HydrophobicContact CE2-CB 3.82Å; E977-N979 PolarHBondContact O-N 3.2Å; E977-T980 HydrophobicContact CG-CG2 3.45Å; E977-T980 VanDerWaalsContact CG-CG2 3.45Å; E977-T980 PolarHBondContact N-OG1 3.21Å; E977-T980 PolarHBondContact O-N 3.11Å; E977-T980 PolarHBondContact O-OG1 3.5Å | ||
| 978 | P | 82.5 | Confident | 78.2 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -48.5 | -34.2 | -172.9 | -28.5 | 31.5 | 0 | 0 | 0 | 115.3 | L948 Y967 W993 L1032 | L948-P978 HydrophobicContact CD2-CG 3.86Å; Y967-P978 HydrophobicContact CD1-CG 4.49Å; Y967-P978 HydrophobicContact CE1-CG 3.87Å; Y967-P978 VanDerWaalsContact CZ-CD 3.49Å; P978-W993 VanDerWaalsContact CB-CD1 3.49Å; P978-W993 HydrophobicContact CB-CD2 4.09Å; P978-W993 HydrophobicContact CB-CG 3.91Å; P978-W993 PolarHBondContact O-NE1 2.8Å; P978-L1032 HydrophobicContact CG-CD1 4.07Å |
| 979 | N | 80.6 | Confident | 78.1 | Confident | 143 Ų | 143 | 67.9 Ų | 67.9 | 77% | 0.765 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -81 | -15.2 | -179.2 | -65.4 | -18.4 | 0 | 0 | 0 | 114.3 | E977 | E977-N979 PolarHBondContact O-N 3.2Š|
| 980 | T | 81.6 | Confident | 78 | Confident | 73 Ų | 73 | 69 Ų | 69 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -92.7 | -4.6 | 178.2 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | G976 E977 E982 | G976-T980 VanDerWaalsContact C-OG1 3.23Å; G976-T980 VanDerWaalsContact CA-OG1 3.23Å; G976-T980 WeakPolarHBondContact CA-OG1 3.17Å; E977-T980 HydrophobicContact CG-CG2 3.45Å; E977-T980 VanDerWaalsContact CG-CG2 3.45Å; E977-T980 PolarHBondContact N-OG1 3.21Å; E977-T980 PolarHBondContact O-N 3.11Å; E977-T980 PolarHBondContact O-OG1 3.5Å; T980-E982 PolarHBondContact O-N 3.34Å |
| 981 | V | 79.7 | Confident | 78.2 | Confident | 27 Ų | 27 | 70 Ų | 70 | 16% | 0.164 | 40% | 0.401 | C | S | . | . | trans | -68 | 104.3 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | L948 W989 W993 | L948-V981 HydrophobicContact CD1-CG2 4.09Å; V981-W989 HydrophobicContact CG1-CH2 4.07Å; V981-W989 HydrophobicContact CG1-CZ2 4.32Å; V981-W993 HydrophobicContact CB-CZ2 4.22Å; V981-W993 HydrophobicContact CG1-CZ2 4.47Å; V981-W993 HydrophobicContact CG2-CZ2 3.88Å | ||
| 982 | E | 77.5 | Confident | 78.8 | Confident | 177 Ų | 177 | 72.9 Ų | 72.9 | 83% | 0.827 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -66 | 140.6 | 178.1 | -67.3 | -173.2 | 171.9 | 0 | 0 | 111.7 | T980 | T980-E982 PolarHBondContact O-N 3.34Š|
| 983 | L | 76.5 | Confident | 79.6 | Confident | 65 Ų | 65 | 73.4 Ų | 73.4 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 123 | 177.7 | -170.6 | 82.1 | 0 | 0 | 0 | 109.1 | W987 W989 R1036 | L983-W987 HydrophobicContact CD1-CB 4.01Å; L983-W987 WeakPolarHBondContact CD2-O 3.43Å; L983-W987 HydrophobicContact CG-CB 4.01Å; L983-W989 HydrophobicContact CB-CZ2 4.08Å; L983-W989 HydrophobicContact CD1-CD2 3.47Å; L983-W989 VanDerWaalsContact CD1-CD2 3.47Å; L983-W989 HydrophobicContact CD1-CE3 4.05Å; L983-W989 HydrophobicContact CD1-CG 3.79Å; L983-W989 HydrophobicContact CD1-CH2 4.16Å; L983-W989 HydrophobicContact CD1-CZ2 3.6Å; L983-W989 HydrophobicContact CD1-CZ3 4.37Å; L983-W989 HydrophobicContact CG-CZ2 4.44Å; L983-R1036 HydrophobicContact CD1-CB 4.17Å |
| 984 | P | 73.6 | Confident | 80.2 | Confident | 50 Ų | 50 | 76.9 Ų | 76.9 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 151.1 | 177 | -26 | 37 | 0 | 0 | 0 | 112.5 | G986 W987 | P984-G986 PolarHBondContact O-N 2.8Å; P984-W987 HydrophobicContact CB-CG 4.49Å; P984-W987 WeakPolarHBondContact O-CB 3.38Å; P984-W987 PolarHBondContact O-N 2.96Å; P984-W987 VanDerWaalsContact O-N 3.12Å |
| 985 | S | 71.2 | Confident | 80.5 | Confident | 129 Ų | 129 | 73.7 Ų | 73.7 | 90% | 0.902 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 132.9 | 178.6 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 986 | G | 69.2 | Low | 80.8 | Confident | 31 Ų | 31 | 70.3 Ų | 70.3 | 32% | 0.32 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -4.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | P984 G1039 | P984-G986 PolarHBondContact O-N 2.8Å; G986-G1039 PolarHBondContact O-N 3.23Å |
| 987 | W | 78.5 | Confident | 81 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 5% | 0.045 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 164 | 178.1 | -67.7 | 77.2 | 0 | 0 | 0 | 112.5 | K941 T942 F944 L983 P984 R1036 I1037 L1038 | K941-W987 WeakPolarHBondContact O-CH2 3.41Å; K941-W987 WeakPolarHBondContact O-CZ2 3.49Å; T942-W987 WeakPolarHBondContact O-CZ3 3.4Å; F944-W987 HydrophobicContact CB-CH2 3.94Å; F944-W987 HydrophobicContact CB-CZ3 3.94Å; L983-W987 HydrophobicContact CD1-CB 4.01Å; L983-W987 WeakPolarHBondContact CD2-O 3.43Å; L983-W987 HydrophobicContact CG-CB 4.01Å; P984-W987 HydrophobicContact CB-CG 4.49Å; P984-W987 WeakPolarHBondContact O-CB 3.38Å; P984-W987 PolarHBondContact O-N 2.96Å; P984-W987 VanDerWaalsContact O-N 3.12Å; W987-R1036 HydrophobicContact CD2-CG 4.29Å; W987-R1036 VanDerWaalsContact CD2-NH1 3.28Å; W987-R1036 HydrophobicContact CE3-CB 3.84Å; W987-R1036 HydrophobicContact CE3-CG 3.56Å; W987-R1036 HydrophobicContact CZ3-CG 3.97Å; W987-R1036 WeakPolarHBondContact CZ3-O 3.39Å; W987-I1037 CarbonylContact C-O 3.53Å; W987-L1038 HydrophobicContact CD2-CB 4.25Å; W987-L1038 HydrophobicContact CD2-CD1 3.95Å; W987-L1038 HydrophobicContact CE3-CB 4.2Å; W987-L1038 VanDerWaalsContact CE3-N 3.26Å; W987-L1038 HydrophobicContact CG-CD1 4.13Å; W987-L1038 HydrophobicContact CH2-CB 4.27Å; W987-L1038 HydrophobicContact CZ2-CB 4.3Å; W987-L1038 HydrophobicContact CZ2-CD1 4.01Å; W987-L1038 HydrophobicContact CZ3-CB 4.2Å |
| 988 | T | 79.7 | Confident | 80.7 | Confident | 74 Ų | 74 | 77.1 Ų | 77.1 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.7 | 172.6 | 56 | 0 | 0 | 0 | 0 | 109.4 | R1036 I1037 | T988-R1036 CarbonylContact O-C 3.6Å; T988-R1036 VanDerWaalsContact O-CA 3.23Å; T988-R1036 WeakPolarHBondContact O-CA 3.26Å; T988-R1036 WeakPolarHBondContact O-CB 3.26Å; T988-I1037 PolarHBondContact N-O 2.71Å; T988-I1037 PolarHBondContact O-N 2.79Å; T988-I1037 PolarHBondContact OG1-O 2.92Å; T988-I1037 VanDerWaalsContact OG1-O 3.06Å |
| 989 | W | 84.8 | Confident | 80.5 | Confident | 79 Ų | 79 | 79.4 Ų | 79.4 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 131.5 | 173.8 | -65.4 | 116 | 0 | 0 | 0 | 109.8 | E946 V981 L983 R1034 R1036 | E946-W989 HydrophobicContact CB-CH2 4.45Å; E946-W989 HydrophobicContact CB-CZ3 4.21Å; E946-W989 HydrophobicContact CG-CH2 3.84Å; E946-W989 HydrophobicContact CG-CZ3 3.85Å; V981-W989 HydrophobicContact CG1-CH2 4.07Å; V981-W989 HydrophobicContact CG1-CZ2 4.32Å; L983-W989 HydrophobicContact CB-CZ2 4.08Å; L983-W989 HydrophobicContact CD1-CD2 3.47Å; L983-W989 VanDerWaalsContact CD1-CD2 3.47Å; L983-W989 HydrophobicContact CD1-CE3 4.05Å; L983-W989 HydrophobicContact CD1-CG 3.79Å; L983-W989 HydrophobicContact CD1-CH2 4.16Å; L983-W989 HydrophobicContact CD1-CZ2 3.6Å; L983-W989 HydrophobicContact CD1-CZ3 4.37Å; L983-W989 HydrophobicContact CG-CZ2 4.44Å; W989-R1034 VanDerWaalsContact CE2-CZ 3.45Å; W989-R1034 HydrophobicContact CE3-CG 3.91Å; W989-R1034 VanDerWaalsContact CH2-NH2 3.26Å; W989-R1034 HydrophobicContact CZ3-CG 4.32Å; W989-R1036 HydrophobicContact CE3-CB 3.75Å; W989-R1036 HydrophobicContact CZ3-CB 3.83Å; W989-R1036 HydrophobicContact CZ3-CG 4.17Å |
| 990 | A | 80.1 | Confident | 80.5 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 42% | 0.421 | 42% | 0.417 | S | S | . | . | trans | -86.4 | -34.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1035 I1037 | A990-S1035 WeakPolarHBondContact CB-O 3.48Å; A990-S1035 PolarHBondContact N-O 3.38Å; A990-I1037 HydrophobicContact CB-CD1 3.4Å; A990-I1037 HydrophobicContact CB-CG1 3.77Å | ||
| 991 | D | 80.7 | Confident | 80.9 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -150.3 | 175.6 | -178.3 | 58.6 | -14.7 | 0 | 0 | 0 | 111.8 | K994 R1034 S1035 | D991-K994 IonicContact OD2-NZ 3.85Å; D991-K994 PolarHBondContact OD2-NZ 2.83Å; D991-R1034 WeakPolarHBondContact O-CD 2.99Å; D991-R1034 WeakPolarHBondContact O-CG 3.29Å; D991-S1035 WeakPolarHBondContact OD1-CA 2.92Å; D991-S1035 VanDerWaalsContact OD1-CB 3.27Å; D991-S1035 WeakPolarHBondContact OD1-CB 3.28Å; D991-S1035 PolarHBondContact OD1-N 3.41Å |
| 992 | D | 86.9 | Confident | 81.4 | Confident | 132 Ų | 132 | 75.7 Ų | 75.7 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | trans | -85.1 | 164 | 173.4 | -69.3 | -41.5 | 0 | 0 | 0 | 111.6 | K994 | D992-K994 PolarHBondContact O-N 2.91Š| ||
| 993 | W | 88.4 | Confident | 81.8 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 17% | 0.167 | 41% | 0.409 | C | S | . | . | trans | -60.6 | 128.8 | 176.8 | -72.5 | 99.9 | 0 | 0 | 0 | 112 | E946 L948 P978 V981 L1032 I1033 R1034 | E946-W993 HydrophobicContact CB-CH2 4.02Å; L948-W993 HydrophobicContact CB-CH2 3.66Å; L948-W993 HydrophobicContact CB-CZ3 3.64Å; L948-W993 HydrophobicContact CD1-CH2 4.49Å; P978-W993 VanDerWaalsContact CB-CD1 3.49Å; P978-W993 HydrophobicContact CB-CD2 4.09Å; P978-W993 HydrophobicContact CB-CG 3.91Å; P978-W993 PolarHBondContact O-NE1 2.8Å; V981-W993 HydrophobicContact CB-CZ2 4.22Å; V981-W993 HydrophobicContact CG1-CZ2 4.47Å; V981-W993 HydrophobicContact CG2-CZ2 3.88Å; W993-L1032 HydrophobicContact CE3-CB 3.68Å; W993-L1032 HydrophobicContact CZ3-CB 4.15Å; W993-L1032 WeakPolarHBondContact CZ3-O 3.42Å; W993-I1033 WeakPolarHBondContact CA-O 3.03Å; W993-R1034 HydrophobicContact CD2-CB 3.61Å; W993-R1034 HydrophobicContact CE3-CB 3.69Å; W993-R1034 HydrophobicContact CG-CB 4.02Å; W993-R1034 HydrophobicContact CH2-CB 4.42Å; W993-R1034 HydrophobicContact CZ2-CB 4.35Å; W993-R1034 HydrophobicContact CZ3-CB 4.11Å | ||
| 994 | K | 89.6 | Confident | 82.4 | Confident | 114 Ų | 114 | 78.1 Ų | 78.1 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154 | 177.8 | -65.6 | 165.4 | -168.1 | 156.1 | 0 | 110.8 | D991 D992 L1032 I1033 | D991-K994 IonicContact OD2-NZ 3.85Å; D991-K994 PolarHBondContact OD2-NZ 2.83Å; D992-K994 PolarHBondContact O-N 2.91Å; K994-L1032 CarbonylContact O-C 3.51Å; K994-L1032 VanDerWaalsContact O-CA 3.32Å; K994-L1032 WeakPolarHBondContact O-CA 3.34Å; K994-I1033 PolarHBondContact N-O 2.66Å; K994-I1033 PolarHBondContact O-N 2.67Å |
| 995 | I | 88.3 | Confident | 83.1 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131.6 | 171.2 | -61.9 | 171.1 | 0 | 0 | 0 | 108.4 | Y997 L1032 | I995-Y997 HydrophobicContact CB-CE2 3.87Å; I995-Y997 HydrophobicContact CG2-CD1 4.41Å; I995-Y997 HydrophobicContact CG2-CD2 4.36Å; I995-Y997 HydrophobicContact CG2-CE1 3.97Å; I995-Y997 HydrophobicContact CG2-CE2 3.91Å; I995-Y997 WeakPolarHBondContact O-CD2 3.44Å; I995-Y997 PolarHBondContact O-N 3.11Å; I995-L1032 HydrophobicContact CG1-CD2 3.86Å |
| 996 | D | 84.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | trans | -86.3 | 106.2 | 177.6 | -179.9 | 21.5 | 0 | 0 | 0 | 111.6 | N998 R999 R1031 I1033 | D996-N998 WeakPolarHBondContact OD1-CB 3.36Å; D996-N998 PolarHBondContact OD1-N 3.17Å; D996-R999 WeakPolarHBondContact OD2-CD 3.32Å; D996-R1031 HydrophobicContact CB-CB 4.3Å; D996-R1031 HydrophobicContact CB-CG 4.35Å; D996-R1031 PolarHBondContact N-O 2.93Å; D996-R1031 IonicContact OD2-CZ 3.97Å; D996-R1031 IonicContact OD2-NE 3.8Å; D996-R1031 IonicContact OD2-NH1 3.83Å; D996-R1031 PolarHBondContact OD2-NH1 3.04Å; D996-I1033 HydrophobicContact CB-CD1 3.9Å; D996-I1033 HydrophobicContact CB-CG1 4.05Å; D996-I1033 HydrophobicContact CB-CG2 4.08Å | ||
| 997 | Y | 83.9 | Confident | 85.3 | Confident | 127 Ų | 127 | 68.9 Ų | 68.9 | 50% | 0.498 | 35% | 0.35 | S | S | . | . | trans | -93 | -3 | 176.1 | -62.1 | -78.7 | 0 | 0 | 0 | 113.4 | I995 R999 | I995-Y997 HydrophobicContact CB-CE2 3.87Å; I995-Y997 HydrophobicContact CG2-CD1 4.41Å; I995-Y997 HydrophobicContact CG2-CD2 4.36Å; I995-Y997 HydrophobicContact CG2-CE1 3.97Å; I995-Y997 HydrophobicContact CG2-CE2 3.91Å; I995-Y997 WeakPolarHBondContact O-CD2 3.44Å; I995-Y997 PolarHBondContact O-N 3.11Å; Y997-R999 PolarHBondContact O-N 2.88Å | ||
| 998 | N | 76.5 | Confident | 85.9 | Confident | 162 Ų | 162 | 68.5 Ų | 68.5 | 87% | 0.866 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -81.1 | 34.9 | -178.5 | -77 | -14.8 | 0 | 0 | 0 | 112.7 | D996 | D996-N998 WeakPolarHBondContact OD1-CB 3.36Å; D996-N998 PolarHBondContact OD1-N 3.17Å |
| 999 | R | 79.3 | Confident | 86.4 | Confident | 65 Ų | 65 | 65.2 Ų | 65.2 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -153.8 | 163.1 | -178 | 60.6 | -170.8 | -55.4 | -109.6 | -7.7 | 110.6 | D996 Y997 C1001 E1007 | D996-R999 WeakPolarHBondContact OD2-CD 3.32Å; Y997-R999 PolarHBondContact O-N 2.88Å; R999-C1001 PolarHBondContact O-N 3.21Å; R999-C1001 PolarHBondContact O-SG 2.96Å; R999-E1007 IonicContact CZ-OE1 3.36Å; R999-E1007 IonicContact CZ-OE2 3.51Å; R999-E1007 IonicContact NH1-OE1 3.4Å; R999-E1007 PolarHBondContact NH1-OE1 3.2Å; R999-E1007 IonicContact NH1-OE2 3.17Å; R999-E1007 PolarHBondContact NH1-OE2 3.35Å; R999-E1007 IonicContact NH2-OE1 2.77Å; R999-E1007 PolarHBondContact NH2-OE1 3.23Å; R999-E1007 VanDerWaalsContact NH2-OE1 3.14Å; R999-E1007 IonicContact NH2-OE2 2.99Å; R999-E1007 PolarHBondContact NH2-OE2 3.32Å |
| 1000 | P | 80.7 | Confident | 86.3 | Confident | 101 Ų | 101 | 65 Ų | 65 | 66% | 0.656 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -65.1 | 99.3 | 177.3 | -20.6 | 33.4 | 0 | 0 | 0 | 111.6 | A1019 | P1000-A1019 HydrophobicContact CB-CB 3.97Š|
| 1001 | C | 88.4 | Confident | 86.3 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | -139.9 | 170.4 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 110.2 | R999 F1006 | R999-C1001 PolarHBondContact O-N 3.21Å; R999-C1001 PolarHBondContact O-SG 2.96Å; C1001-F1006 WeakPolarHBondContact CA-O 3.16Å; C1001-F1006 WeakPolarHBondContact CB-O 3.45Å | ||
| 1002 | D | 90 | Very high | 85.8 | Confident | 38 Ų | 38 | 67.6 Ų | 67.6 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | trans | -78.6 | -176.4 | 172.5 | 69.7 | 8.6 | 0 | 0 | 0 | 112.7 | D1004 G1005 F1006 Y1008 | D1002-D1004 PolarHBondContact O-N 3.32Å; D1002-D1004 WeakPolarHBondContact OD1-CA 3.1Å; D1002-D1004 PolarHBondContact OD1-N 3.17Å; D1002-G1005 PolarHBondContact O-N 2.95Å; D1002-G1005 PolarHBondContact OD1-N 3.41Å; D1002-F1006 PolarHBondContact N-O 3.27Å; D1002-F1006 PolarHBondContact OD1-N 2.81Å; D1002-Y1008 HydrophobicContact CB-CE2 4.27Å; D1002-Y1008 WeakPolarHBondContact OD2-CE2 3.13Å; D1002-Y1008 VanDerWaalsContact OD2-CZ 3.28Å; D1002-Y1008 PolarHBondContact OD2-OH 2.87Å | ||
| 1003 | E | 87.6 | Confident | 84.9 | Confident | 188 Ų | 188 | 65.5 Ų | 65.5 | 88% | 0.879 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23 | -179.2 | -63.1 | -174.4 | 172.1 | 0 | 0 | 113.6 | ||
| 1004 | D | 89 | Confident | 83.7 | Confident | 104 Ų | 104 | 68.1 Ų | 68.1 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 0.1 | 177.8 | -70.5 | -37.9 | 0 | 0 | 0 | 112.6 | D1002 F1006 | D1002-D1004 PolarHBondContact O-N 3.32Å; D1002-D1004 WeakPolarHBondContact OD1-CA 3.1Å; D1002-D1004 PolarHBondContact OD1-N 3.17Å; D1004-F1006 HydrophobicContact CB-CD2 3.84Å; D1004-F1006 HydrophobicContact CB-CE2 4.31Å |
| 1005 | G | 87.5 | Confident | 82.5 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 81.9 | 12.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1002 R1030 | D1002-G1005 PolarHBondContact O-N 2.95Å; D1002-G1005 PolarHBondContact OD1-N 3.41Å; G1005-R1030 WeakPolarHBondContact O-CA 3.05Å; G1005-R1030 WeakPolarHBondContact O-CB 3.15Å |
| 1006 | F | 93.7 | Very high | 81.8 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 146.1 | 177 | -75.7 | -82.6 | 0 | 0 | 0 | 112.6 | Y950 E952 C1001 D1002 D1004 Y1008 R1028 R1029 R1030 | Y950-F1006 HydrophobicContact CD1-CE1 4.28Å; Y950-F1006 HydrophobicContact CD1-CZ 4.28Å; Y950-F1006 HydrophobicContact CE1-CZ 4.37Å; E952-F1006 HydrophobicContact CG-CE1 4.28Å; E952-F1006 HydrophobicContact CG-CZ 4.48Å; C1001-F1006 WeakPolarHBondContact CA-O 3.16Å; C1001-F1006 WeakPolarHBondContact CB-O 3.45Å; D1002-F1006 PolarHBondContact N-O 3.27Å; D1002-F1006 PolarHBondContact OD1-N 2.81Å; D1004-F1006 HydrophobicContact CB-CD2 3.84Å; D1004-F1006 HydrophobicContact CB-CE2 4.31Å; F1006-Y1008 HydrophobicContact CB-CE2 4.25Å; F1006-R1028 HydrophobicContact CB-CB 4.4Å; F1006-R1028 HydrophobicContact CD1-CB 3.96Å; F1006-R1028 VanDerWaalsContact CD1-CD 3.48Å; F1006-R1028 HydrophobicContact CD1-CG 3.46Å; F1006-R1028 VanDerWaalsContact CD1-CG 3.46Å; F1006-R1028 HydrophobicContact CE1-CG 3.84Å; F1006-R1028 HydrophobicContact CG-CG 4.14Å; F1006-R1029 CarbonylContact C-O 3.51Å; F1006-R1029 WeakPolarHBondContact CA-O 3.43Å; F1006-R1030 HydrophobicContact CD1-CB 3.92Å; F1006-R1030 HydrophobicContact CD1-CG 4.44Å; F1006-R1030 HydrophobicContact CE1-CB 4Å; F1006-R1030 HydrophobicContact CE1-CG 4.02Å; F1006-R1030 HydrophobicContact CG-CB 4.25Å; F1006-R1030 HydrophobicContact CZ-CB 4.4Å; F1006-R1030 HydrophobicContact CZ-CG 4.24Å |
| 1007 | E | 92 | Very high | 81.8 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.1 | 168 | 61.1 | 174.2 | 162.5 | 0 | 0 | 109.5 | F949 R999 Y1017 R1028 R1029 | F949-E1007 WeakPolarHBondContact CE1-OE1 3Å; R999-E1007 IonicContact CZ-OE1 3.36Å; R999-E1007 IonicContact CZ-OE2 3.51Å; R999-E1007 IonicContact NH1-OE1 3.4Å; R999-E1007 PolarHBondContact NH1-OE1 3.2Å; R999-E1007 IonicContact NH1-OE2 3.17Å; R999-E1007 PolarHBondContact NH1-OE2 3.35Å; R999-E1007 IonicContact NH2-OE1 2.77Å; R999-E1007 PolarHBondContact NH2-OE1 3.23Å; R999-E1007 VanDerWaalsContact NH2-OE1 3.14Å; R999-E1007 IonicContact NH2-OE2 2.99Å; R999-E1007 PolarHBondContact NH2-OE2 3.32Å; E1007-Y1017 HydrophobicContact CB-CD1 4.35Å; E1007-Y1017 VanDerWaalsContact CD-CB 3.48Å; E1007-Y1017 HydrophobicContact CG-CD1 3.68Å; E1007-Y1017 HydrophobicContact CG-CG 3.93Å; E1007-Y1017 WeakPolarHBondContact OE2-CB 3.32Å; E1007-R1028 CarbonylContact O-C 3.36Å; E1007-R1028 WeakPolarHBondContact O-CA 3.47Å; E1007-R1028 WeakPolarHBondContact O-CB 2.97Å; E1007-R1029 HydrophobicContact CG-CG 3.64Å; E1007-R1029 VanDerWaalsContact CG-O 3.31Å; E1007-R1029 WeakPolarHBondContact CG-O 3.5Å; E1007-R1029 PolarHBondContact N-O 2.93Å; E1007-R1029 PolarHBondContact O-N 3.16Å; E1007-R1029 WeakPolarHBondContact OE1-CG 3.47Å; E1007-R1029 IonicContact OE1-CZ 3.58Å; E1007-R1029 IonicContact OE1-NE 3.41Å; E1007-R1029 PolarHBondContact OE1-NE 3.25Å; E1007-R1029 IonicContact OE1-NH2 2.85Å; E1007-R1029 PolarHBondContact OE1-NH2 2.84Å; E1007-R1029 VanDerWaalsContact OE1-NH2 3.16Å |
| 1008 | Y | 91.9 | Very high | 82 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.2 | -163.8 | -61.6 | -92.4 | 0 | 0 | 0 | 112.6 | W960 D1002 F1006 Y1017 V1018 E1021 H1025 R1028 | W960-Y1008 HydrophobicContact CH2-CD1 4.04Å; W960-Y1008 HydrophobicContact CH2-CE1 4.27Å; W960-Y1008 AromaticContact CZ2-CD1 3.7Å; W960-Y1008 HydrophobicContact CZ2-CD1 3.7Å; W960-Y1008 AromaticContact CZ2-CE1 3.54Å; W960-Y1008 HydrophobicContact CZ2-CE1 3.54Å; D1002-Y1008 HydrophobicContact CB-CE2 4.27Å; D1002-Y1008 WeakPolarHBondContact OD2-CE2 3.13Å; D1002-Y1008 VanDerWaalsContact OD2-CZ 3.28Å; D1002-Y1008 PolarHBondContact OD2-OH 2.87Å; F1006-Y1008 HydrophobicContact CB-CE2 4.25Å; Y1008-Y1017 CarbonylContact O-C 3.53Å; Y1008-Y1017 VanDerWaalsContact O-CA 3.23Å; Y1008-Y1017 WeakPolarHBondContact O-CA 3.39Å; Y1008-V1018 PolarHBondContact N-O 2.97Å; Y1008-V1018 PolarHBondContact O-N 2.88Å; Y1008-E1021 HydrophobicContact CD1-CB 4.03Å; Y1008-E1021 HydrophobicContact CD1-CG 3.81Å; Y1008-E1021 HydrophobicContact CD2-CB 4.24Å; Y1008-E1021 HydrophobicContact CE1-CB 3.71Å; Y1008-E1021 HydrophobicContact CE1-CG 3.53Å; Y1008-E1021 HydrophobicContact CE2-CB 3.97Å; Y1008-E1021 HydrophobicContact CG-CB 4.3Å; Y1008-E1021 HydrophobicContact CG-CG 4.49Å; Y1008-H1025 WeakPolarHBondContact CB-ND1 3.4Å; Y1008-H1025 HydrophobicContact CD1-CB 4.38Å; Y1008-H1025 AromaticContact CG-ND1 3.98Å; Y1008-R1028 HydrophobicContact CD1-CB 3.72Å; Y1008-R1028 HydrophobicContact CE1-CB 3.86Å; Y1008-R1028 HydrophobicContact CE1-CG 4.42Å; Y1008-R1028 HydrophobicContact CG-CB 4.37Å |
| 1009 | T | 89.5 | Confident | 82.5 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.3 | 172.8 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | E1011 Y1017 H1025 M1026 F1027 | T1009-E1011 VanDerWaalsContact CG2-O 3.23Å; T1009-E1011 WeakPolarHBondContact CG2-O 3.4Å; T1009-E1011 PolarHBondContact OG1-N 2.89Å; T1009-E1011 PolarHBondContact OG1-O 3.07Å; T1009-E1011 VanDerWaalsContact OG1-O 3.07Å; T1009-Y1017 HydrophobicContact CG2-CD1 3.84Å; T1009-Y1017 HydrophobicContact CG2-CE1 3.31Å; T1009-Y1017 HydrophobicContact CG2-CE2 4.22Å; T1009-H1025 WeakPolarHBondContact O-CA 3.31Å; T1009-H1025 WeakPolarHBondContact O-CB 3.4Å; T1009-M1026 PolarHBondContact O-N 3Å; T1009-F1027 HydrophobicContact CG2-CB 3.74Å; T1009-F1027 PolarHBondContact N-O 3.05Å; T1009-F1027 PolarHBondContact O-N 3.4Å; T1009-F1027 VanDerWaalsContact O-O 3.07Å |
| 1010 | V | 84.2 | Confident | 83 | Confident | 74 Ų | 74 | 57 Ų | 57 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -65 | -45.4 | 172.1 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | Y1024 M1026 | V1010-Y1024 HydrophobicContact CG2-CD2 3.78Å; V1010-Y1024 HydrophobicContact CG2-CE2 3.82Å; V1010-M1026 WeakPolarHBondContact O-CB 3.3Å |
| 1011 | E | 78.5 | Confident | 83.2 | Confident | 107 Ų | 107 | 56.6 Ų | 56.6 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | trans | -146.7 | 139 | -177 | -177.9 | 175.7 | -156.2 | 0 | 0 | 109.8 | T1009 S1013 T1014 | T1009-E1011 VanDerWaalsContact CG2-O 3.23Å; T1009-E1011 WeakPolarHBondContact CG2-O 3.4Å; T1009-E1011 PolarHBondContact OG1-N 2.89Å; T1009-E1011 PolarHBondContact OG1-O 3.07Å; T1009-E1011 VanDerWaalsContact OG1-O 3.07Å; E1011-S1013 VanDerWaalsContact C-N 3.26Å; E1011-S1013 WeakPolarHBondContact CG-OG 3.48Å; E1011-S1013 PolarHBondContact O-N 3.38Å; E1011-T1014 WeakPolarHBondContact CB-OG1 3.27Å; E1011-T1014 PolarHBondContact O-N 3.03Å | ||
| 1012 | A | 71.5 | Confident | 83.2 | Confident | 47 Ų | 47 | 60 Ų | 60 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1027 | A1012-F1027 HydrophobicContact CB-CB 4.37Å; A1012-F1027 HydrophobicContact CB-CD1 3.84Å; A1012-F1027 HydrophobicContact CB-CD2 4.5Å; A1012-F1027 HydrophobicContact CB-CE1 4.22Å; A1012-F1027 HydrophobicContact CB-CG 3.98Å |
| 1013 | S | 67.3 | Low | 82.9 | Confident | 87 Ų | 87 | 65.2 Ų | 65.2 | 61% | 0.608 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -25.7 | -176.7 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | E1011 G1015 | E1011-S1013 VanDerWaalsContact C-N 3.26Å; E1011-S1013 WeakPolarHBondContact CG-OG 3.48Å; E1011-S1013 PolarHBondContact O-N 3.38Å; S1013-G1015 VanDerWaalsContact C-N 3.32Å; S1013-G1015 PolarHBondContact O-N 3.38Å |
| 1014 | T | 62.7 | Low | 82.7 | Confident | 100 Ų | 100 | 62 Ų | 62 | 61% | 0.613 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -18.6 | -171.9 | -22.7 | 0 | 0 | 0 | 0 | 113.1 | E1011 | E1011-T1014 WeakPolarHBondContact CB-OG1 3.27Å; E1011-T1014 PolarHBondContact O-N 3.03Å |
| 1015 | G | 65.2 | Low | 82.7 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | trans | 64.8 | 170.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1013 | S1013-G1015 VanDerWaalsContact C-N 3.32Å; S1013-G1015 PolarHBondContact O-N 3.38Å | ||
| 1016 | G | 73.1 | Confident | 82.9 | Confident | 62 Ų | 62 | 60.6 Ų | 60.6 | 64% | 0.639 | 36% | 0.358 | S | S | * | . | trans | 96.5 | 57.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1017 | Y | 85.7 | Confident | 82.8 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 15% | 0.153 | 37% | 0.368 | C | S | . | . | trans | -77.8 | 142.4 | 176.3 | -68 | -98.1 | 0 | 0 | 0 | 111.7 | E1007 Y1008 T1009 R1029 | E1007-Y1017 HydrophobicContact CB-CD1 4.35Å; E1007-Y1017 VanDerWaalsContact CD-CB 3.48Å; E1007-Y1017 HydrophobicContact CG-CD1 3.68Å; E1007-Y1017 HydrophobicContact CG-CG 3.93Å; E1007-Y1017 WeakPolarHBondContact OE2-CB 3.32Å; Y1008-Y1017 CarbonylContact O-C 3.53Å; Y1008-Y1017 VanDerWaalsContact O-CA 3.23Å; Y1008-Y1017 WeakPolarHBondContact O-CA 3.39Å; T1009-Y1017 HydrophobicContact CG2-CD1 3.84Å; T1009-Y1017 HydrophobicContact CG2-CE1 3.31Å; T1009-Y1017 HydrophobicContact CG2-CE2 4.22Å; Y1017-R1029 HydrophobicContact CD1-CG 3.87Å; Y1017-R1029 VanDerWaalsContact CD2-CZ 3.41Å; Y1017-R1029 VanDerWaalsContact CD2-NH2 3.33Å; Y1017-R1029 HydrophobicContact CE1-CB 4.28Å; Y1017-R1029 VanDerWaalsContact CE1-CD 3.47Å; Y1017-R1029 HydrophobicContact CE1-CG 3.49Å; Y1017-R1029 VanDerWaalsContact CE1-CG 3.49Å; Y1017-R1029 VanDerWaalsContact CE2-NE 3.35Å | ||
| 1018 | V | 87.4 | Confident | 82.8 | Confident | 62 Ų | 62 | 64 Ų | 64 | 38% | 0.376 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -127.2 | 153.5 | 178.3 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | Y1008 A1020 H1025 | Y1008-V1018 PolarHBondContact N-O 2.97Å; Y1008-V1018 PolarHBondContact O-N 2.88Å; V1018-A1020 PolarHBondContact O-N 3.41Å; V1018-H1025 WeakPolarHBondContact CG2-CE1 3.18Å |
| 1019 | A | 88.1 | Confident | 82.9 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -69.8 | -29.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1000 | P1000-A1019 HydrophobicContact CB-CB 3.97Š|
| 1020 | A | 88.2 | Confident | 83 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 50% | 0.496 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -94.7 | 125.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1018 H1025 | V1018-A1020 PolarHBondContact O-N 3.41Å; A1020-H1025 PolarHBondContact O-CE1 3.33Å |
| 1021 | E | 86.3 | Confident | 83.4 | Confident | 92 Ų | 92 | 67.1 Ų | 67.1 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | trans | -62.3 | 135.6 | 172.2 | -168.3 | -175.9 | 128.7 | 0 | 0 | 111 | R954 W960 Y1008 | R954-E1021 IonicContact CZ-OE1 3.15Å; R954-E1021 IonicContact NH1-OE1 3.58Å; R954-E1021 PolarHBondContact NH1-OE1 3.37Å; R954-E1021 IonicContact NH1-OE2 3.91Å; R954-E1021 VanDerWaalsContact NH2-CD 3.33Å; R954-E1021 IonicContact NH2-OE1 3.66Å; R954-E1021 PolarHBondContact NH2-OE1 3.25Å; W960-E1021 PolarHBondContact NE1-OE2 3.22Å; Y1008-E1021 HydrophobicContact CD1-CB 4.03Å; Y1008-E1021 HydrophobicContact CD1-CG 3.81Å; Y1008-E1021 HydrophobicContact CD2-CB 4.24Å; Y1008-E1021 HydrophobicContact CE1-CB 3.71Å; Y1008-E1021 HydrophobicContact CE1-CG 3.53Å; Y1008-E1021 HydrophobicContact CE2-CB 3.97Å; Y1008-E1021 HydrophobicContact CG-CB 4.3Å; Y1008-E1021 HydrophobicContact CG-CG 4.49Å | ||
| 1022 | K | 87.9 | Confident | 84.1 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | trans | -128.6 | 152.1 | 171.2 | -61.5 | -178.8 | 178.7 | 177.9 | 0 | 109.3 | R954 Y1024 H1025 | R954-K1022 PolarHBondContact NH2-O 3.41Å; R954-K1022 VanDerWaalsContact NH2-O 3.11Å; K1022-Y1024 HydrophobicContact CB-CD1 4.17Å; K1022-Y1024 HydrophobicContact CB-CE1 3.82Å; K1022-Y1024 HydrophobicContact CB-CE2 4.3Å; K1022-Y1024 HydrophobicContact CD-CE1 3.78Å; K1022-Y1024 HydrophobicContact CD-CE2 4.23Å; K1022-Y1024 VanDerWaalsContact CD-CZ 3.4Å; K1022-Y1024 WeakPolarHBondContact CD-OH 3.35Å; K1022-Y1024 HydrophobicContact CG-CE1 4.42Å; K1022-Y1024 PolarHBondContact NZ-OH 3.33Å; K1022-Y1024 PolarHBondContact O-N 2.97Å; K1022-Y1024 VanDerWaalsContact O-N 3.07Å; K1022-H1025 PolarHBondContact N-ND1 2.86Å; K1022-H1025 VanDerWaalsContact N-ND1 3.1Å; K1022-H1025 WeakPolarHBondContact O-CB 3.39Å; K1022-H1025 PolarHBondContact O-N 2.93Å | ||
| 1023 | L | 82.9 | Confident | 84.9 | Confident | 149 Ų | 149 | 62.6 Ų | 62.6 | 78% | 0.78 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.5 | -175.9 | -79.4 | 163.1 | 0 | 0 | 0 | 114 | ||
| 1024 | Y | 84.7 | Confident | 86 | Confident | 120 Ų | 120 | 59.3 Ų | 59.3 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -2.7 | -179.9 | 58.6 | -102.6 | 0 | 0 | 0 | 113.8 | V1010 K1022 M1026 | V1010-Y1024 HydrophobicContact CG2-CD2 3.78Å; V1010-Y1024 HydrophobicContact CG2-CE2 3.82Å; K1022-Y1024 HydrophobicContact CB-CD1 4.17Å; K1022-Y1024 HydrophobicContact CB-CE1 3.82Å; K1022-Y1024 HydrophobicContact CB-CE2 4.3Å; K1022-Y1024 HydrophobicContact CD-CE1 3.78Å; K1022-Y1024 HydrophobicContact CD-CE2 4.23Å; K1022-Y1024 VanDerWaalsContact CD-CZ 3.4Å; K1022-Y1024 WeakPolarHBondContact CD-OH 3.35Å; K1022-Y1024 HydrophobicContact CG-CE1 4.42Å; K1022-Y1024 PolarHBondContact NZ-OH 3.33Å; K1022-Y1024 PolarHBondContact O-N 2.97Å; K1022-Y1024 VanDerWaalsContact O-N 3.07Å; Y1024-M1026 PolarHBondContact O-N 2.9Å |
| 1025 | H | 89.1 | Confident | 87 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | trans | -73.7 | 117.2 | 172.4 | -64.4 | 156.9 | 0 | 0 | 0 | 109.5 | R954 Y1008 T1009 V1018 A1020 K1022 | R954-H1025 PolarHBondContact NE-O 3.39Å; R954-H1025 PolarHBondContact NH2-O 2.91Å; Y1008-H1025 WeakPolarHBondContact CB-ND1 3.4Å; Y1008-H1025 HydrophobicContact CD1-CB 4.38Å; Y1008-H1025 AromaticContact CG-ND1 3.98Å; T1009-H1025 WeakPolarHBondContact O-CA 3.31Å; T1009-H1025 WeakPolarHBondContact O-CB 3.4Å; V1018-H1025 WeakPolarHBondContact CG2-CE1 3.18Å; A1020-H1025 PolarHBondContact O-CE1 3.33Å; K1022-H1025 PolarHBondContact N-ND1 2.86Å; K1022-H1025 VanDerWaalsContact N-ND1 3.1Å; K1022-H1025 WeakPolarHBondContact O-CB 3.39Å; K1022-H1025 PolarHBondContact O-N 2.93Å | ||
| 1026 | M | 90.2 | Very high | 88 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 34% | 0.335 | 28% | 0.284 | S | S | . | . | trans | -101.2 | -12.8 | -179.5 | -67.3 | 179.2 | 56.1 | 0 | 0 | 112.3 | F953 R954 W960 T1009 V1010 Y1024 | F953-M1026 CarbonylContact C-O 3.5Å; F953-M1026 VanDerWaalsContact CA-O 3.24Å; F953-M1026 WeakPolarHBondContact CA-O 3.49Å; R954-M1026 PolarHBondContact N-O 3.41Å; R954-M1026 WeakPolarHBondContact O-CA 3.48Å; R954-M1026 VanDerWaalsContact O-CB 3.27Å; R954-M1026 WeakPolarHBondContact O-CB 3.45Å; W960-M1026 WeakPolarHBondContact CZ3-O 3.32Å; T1009-M1026 PolarHBondContact O-N 3Å; V1010-M1026 WeakPolarHBondContact O-CB 3.3Å; Y1024-M1026 PolarHBondContact O-N 2.9Å | ||
| 1027 | F | 91.9 | Very high | 88 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.9 | 178.7 | -69.1 | -94 | 0 | 0 | 0 | 110.4 | E952 F953 T1009 A1012 | E952-F1027 WeakPolarHBondContact O-CA 3.33Å; F953-F1027 HydrophobicContact CB-CD1 3.77Å; F953-F1027 HydrophobicContact CB-CE1 3.61Å; F953-F1027 HydrophobicContact CB-CZ 4.24Å; T1009-F1027 HydrophobicContact CG2-CB 3.74Å; T1009-F1027 PolarHBondContact N-O 3.05Å; T1009-F1027 PolarHBondContact O-N 3.4Å; T1009-F1027 VanDerWaalsContact O-O 3.07Å; A1012-F1027 HydrophobicContact CB-CB 4.37Å; A1012-F1027 HydrophobicContact CB-CD1 3.84Å; A1012-F1027 HydrophobicContact CB-CD2 4.5Å; A1012-F1027 HydrophobicContact CB-CE1 4.22Å; A1012-F1027 HydrophobicContact CB-CG 3.98Å |
| 1028 | R | 93 | Very high | 87.2 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153 | 168.1 | 69.5 | 179.1 | -176.3 | 169.7 | 3.9 | 109.7 | E952 W960 F1006 E1007 Y1008 | E952-R1028 HydrophobicContact CB-CG 3.9Å; E952-R1028 PolarHBondContact N-O 3.3Å; E952-R1028 PolarHBondContact O-N 2.77Å; E952-R1028 VanDerWaalsContact O-O 3.08Å; E952-R1028 IonicContact OE1-NH2 2.71Å; E952-R1028 IonicContact OE2-CZ 2.89Å; E952-R1028 IonicContact OE2-NE 2.81Å; E952-R1028 PolarHBondContact OE2-NE 2.82Å; E952-R1028 IonicContact OE2-NH2 2.97Å; E952-R1028 PolarHBondContact OE2-NH2 3.1Å; W960-R1028 VanDerWaalsContact CD1-CZ 3.41Å; W960-R1028 HydrophobicContact CD2-CG 3.92Å; W960-R1028 HydrophobicContact CE3-CB 4.43Å; W960-R1028 HydrophobicContact CE3-CG 3.65Å; W960-R1028 HydrophobicContact CH2-CB 3.81Å; W960-R1028 HydrophobicContact CH2-CG 3.9Å; W960-R1028 HydrophobicContact CZ2-CB 4.22Å; W960-R1028 HydrophobicContact CZ2-CG 4.15Å; W960-R1028 HydrophobicContact CZ3-CB 3.92Å; W960-R1028 HydrophobicContact CZ3-CG 3.63Å; F1006-R1028 HydrophobicContact CB-CB 4.4Å; F1006-R1028 HydrophobicContact CD1-CB 3.96Å; F1006-R1028 VanDerWaalsContact CD1-CD 3.48Å; F1006-R1028 HydrophobicContact CD1-CG 3.46Å; F1006-R1028 VanDerWaalsContact CD1-CG 3.46Å; F1006-R1028 HydrophobicContact CE1-CG 3.84Å; F1006-R1028 HydrophobicContact CG-CG 4.14Å; E1007-R1028 CarbonylContact O-C 3.36Å; E1007-R1028 WeakPolarHBondContact O-CA 3.47Å; E1007-R1028 WeakPolarHBondContact O-CB 2.97Å; Y1008-R1028 HydrophobicContact CD1-CB 3.72Å; Y1008-R1028 HydrophobicContact CE1-CB 3.86Å; Y1008-R1028 HydrophobicContact CE1-CG 4.42Å; Y1008-R1028 HydrophobicContact CG-CB 4.37Å |
| 1029 | R | 93.6 | Very high | 85.9 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.5 | 173.4 | 68.7 | -176.2 | -175.2 | 178.3 | 3.4 | 110.6 | F949 Y950 N951 A970 F1006 E1007 Y1017 | F949-R1029 HydrophobicContact CB-CB 4.5Å; F949-R1029 HydrophobicContact CD1-CB 4.41Å; F949-R1029 VanDerWaalsContact CD1-CD 3.47Å; F949-R1029 HydrophobicContact CD1-CG 3.84Å; Y950-R1029 CarbonylContact O-C 3.55Å; Y950-R1029 WeakPolarHBondContact O-CA 3.21Å; N951-R1029 WeakPolarHBondContact OD1-CB 3.31Å; A970-R1029 PolarHBondContact O-NH1 2.9Å; F1006-R1029 CarbonylContact C-O 3.51Å; F1006-R1029 WeakPolarHBondContact CA-O 3.43Å; E1007-R1029 HydrophobicContact CG-CG 3.64Å; E1007-R1029 VanDerWaalsContact CG-O 3.31Å; E1007-R1029 WeakPolarHBondContact CG-O 3.5Å; E1007-R1029 PolarHBondContact N-O 2.93Å; E1007-R1029 PolarHBondContact O-N 3.16Å; E1007-R1029 WeakPolarHBondContact OE1-CG 3.47Å; E1007-R1029 IonicContact OE1-CZ 3.58Å; E1007-R1029 IonicContact OE1-NE 3.41Å; E1007-R1029 PolarHBondContact OE1-NE 3.25Å; E1007-R1029 IonicContact OE1-NH2 2.85Å; E1007-R1029 PolarHBondContact OE1-NH2 2.84Å; E1007-R1029 VanDerWaalsContact OE1-NH2 3.16Å; Y1017-R1029 HydrophobicContact CD1-CG 3.87Å; Y1017-R1029 VanDerWaalsContact CD2-CZ 3.41Å; Y1017-R1029 VanDerWaalsContact CD2-NH2 3.33Å; Y1017-R1029 HydrophobicContact CE1-CB 4.28Å; Y1017-R1029 VanDerWaalsContact CE1-CD 3.47Å; Y1017-R1029 HydrophobicContact CE1-CG 3.49Å; Y1017-R1029 VanDerWaalsContact CE1-CG 3.49Å; Y1017-R1029 VanDerWaalsContact CE2-NE 3.35Å |
| 1030 | R | 92.4 | Very high | 84.4 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 24% | 0.242 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.2 | 170.9 | 64.1 | 178.7 | -179.6 | -165.3 | -8.6 | 109.3 | F949 Y950 G1005 F1006 | F949-R1030 CarbonylContact C-O 3.54Å; F949-R1030 VanDerWaalsContact CA-O 3.3Å; F949-R1030 WeakPolarHBondContact CA-O 3.46Å; Y950-R1030 HydrophobicContact CD1-CG 3.9Å; Y950-R1030 HydrophobicContact CG-CG 4.27Å; Y950-R1030 PolarHBondContact N-O 3.04Å; Y950-R1030 PolarHBondContact O-N 2.9Å; G1005-R1030 WeakPolarHBondContact O-CA 3.05Å; G1005-R1030 WeakPolarHBondContact O-CB 3.15Å; F1006-R1030 HydrophobicContact CD1-CB 3.92Å; F1006-R1030 HydrophobicContact CD1-CG 4.44Å; F1006-R1030 HydrophobicContact CE1-CB 4Å; F1006-R1030 HydrophobicContact CE1-CG 4.02Å; F1006-R1030 HydrophobicContact CG-CB 4.25Å; F1006-R1030 HydrophobicContact CZ-CB 4.4Å; F1006-R1030 HydrophobicContact CZ-CG 4.24Å |
| 1031 | R | 92.6 | Very high | 82.5 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 22% | 0.219 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.3 | 177.7 | -170.7 | -179.6 | -177.2 | -135.3 | 3 | 109.1 | E947 F949 D996 I1033 | E947-R1031 IonicContact OE2-CZ 3.88Å; E947-R1031 VanDerWaalsContact OE2-CZ 3.23Å; E947-R1031 IonicContact OE2-NE 2.97Å; E947-R1031 PolarHBondContact OE2-NE 2.7Å; E947-R1031 IonicContact OE2-NH2 3.14Å; E947-R1031 PolarHBondContact OE2-NH2 2.74Å; F949-R1031 HydrophobicContact CD1-CB 4.02Å; F949-R1031 HydrophobicContact CD1-CG 4.38Å; F949-R1031 HydrophobicContact CE1-CB 3.62Å; F949-R1031 HydrophobicContact CE1-CG 3.8Å; F949-R1031 HydrophobicContact CE2-CG 4.02Å; F949-R1031 HydrophobicContact CZ-CB 3.99Å; F949-R1031 HydrophobicContact CZ-CG 3.6Å; D996-R1031 HydrophobicContact CB-CB 4.3Å; D996-R1031 HydrophobicContact CB-CG 4.35Å; D996-R1031 PolarHBondContact N-O 2.93Å; D996-R1031 IonicContact OD2-CZ 3.97Å; D996-R1031 IonicContact OD2-NE 3.8Å; D996-R1031 IonicContact OD2-NH1 3.83Å; D996-R1031 PolarHBondContact OD2-NH1 3.04Å; R1031-I1033 HydrophobicContact CG-CG2 4.13Å |
| 1032 | L | 91.8 | Very high | 80.6 | Confident | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.4 | 169.1 | -58.5 | 172.7 | 0 | 0 | 0 | 107.6 | E947 L948 Y967 P978 W993 K994 I995 | E947-L1032 WeakPolarHBondContact CA-O 3.16Å; L948-L1032 HydrophobicContact CB-CB 4.47Å; L948-L1032 HydrophobicContact CD2-CD1 4.3Å; L948-L1032 PolarHBondContact N-O 2.77Å; L948-L1032 WeakPolarHBondContact O-CA 3.42Å; L948-L1032 PolarHBondContact O-N 2.82Å; Y967-L1032 HydrophobicContact CE1-CD1 4.27Å; P978-L1032 HydrophobicContact CG-CD1 4.07Å; W993-L1032 HydrophobicContact CE3-CB 3.68Å; W993-L1032 HydrophobicContact CZ3-CB 4.15Å; W993-L1032 WeakPolarHBondContact CZ3-O 3.42Å; K994-L1032 CarbonylContact O-C 3.51Å; K994-L1032 VanDerWaalsContact O-CA 3.32Å; K994-L1032 WeakPolarHBondContact O-CA 3.34Å; I995-L1032 HydrophobicContact CG1-CD2 3.86Å |
| 1033 | I | 89.3 | Confident | 78.9 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145.7 | 176.6 | 57.8 | 171.7 | 0 | 0 | 0 | 110.5 | V945 E946 E947 W993 K994 D996 R1031 | V945-I1033 HydrophobicContact CG1-CB 3.69Å; V945-I1033 HydrophobicContact CG1-CG2 3.89Å; E946-I1033 CarbonylContact O-C 3.52Å; E946-I1033 VanDerWaalsContact O-CA 3.29Å; E946-I1033 WeakPolarHBondContact O-CA 3.04Å; E947-I1033 HydrophobicContact CB-CG2 4.4Å; W993-I1033 WeakPolarHBondContact CA-O 3.03Å; K994-I1033 PolarHBondContact N-O 2.66Å; K994-I1033 PolarHBondContact O-N 2.67Å; D996-I1033 HydrophobicContact CB-CD1 3.9Å; D996-I1033 HydrophobicContact CB-CG1 4.05Å; D996-I1033 HydrophobicContact CB-CG2 4.08Å; R1031-I1033 HydrophobicContact CG-CG2 4.13Å |
| 1034 | R | 90.1 | Very high | 77.4 | Confident | 19 Ų | 19 | 53 Ų | 53 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 134.3 | 172.3 | -173.2 | 172.1 | 65.2 | -178.5 | -5.2 | 109.3 | E946 W989 D991 W993 | E946-R1034 PolarHBondContact N-O 3.5Å; E946-R1034 PolarHBondContact O-N 2.97Å; W989-R1034 VanDerWaalsContact CE2-CZ 3.45Å; W989-R1034 HydrophobicContact CE3-CG 3.91Å; W989-R1034 VanDerWaalsContact CH2-NH2 3.26Å; W989-R1034 HydrophobicContact CZ3-CG 4.32Å; D991-R1034 WeakPolarHBondContact O-CD 2.99Å; D991-R1034 WeakPolarHBondContact O-CG 3.29Å; W993-R1034 HydrophobicContact CD2-CB 3.61Å; W993-R1034 HydrophobicContact CE3-CB 3.69Å; W993-R1034 HydrophobicContact CG-CB 4.02Å; W993-R1034 HydrophobicContact CH2-CB 4.42Å; W993-R1034 HydrophobicContact CZ2-CB 4.35Å; W993-R1034 HydrophobicContact CZ3-CB 4.11Å |
| 1035 | S | 84.6 | Confident | 75.8 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 140.5 | -179.1 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | F944 A990 D991 | F944-S1035 WeakPolarHBondContact O-CA 3.45Å; A990-S1035 WeakPolarHBondContact CB-O 3.48Å; A990-S1035 PolarHBondContact N-O 3.38Å; D991-S1035 WeakPolarHBondContact OD1-CA 2.92Å; D991-S1035 VanDerWaalsContact OD1-CB 3.27Å; D991-S1035 WeakPolarHBondContact OD1-CB 3.28Å; D991-S1035 PolarHBondContact OD1-N 3.41Å |
| 1036 | R | 84.4 | Confident | 73.9 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 147.2 | 164.7 | 53.2 | 175.3 | 170.9 | 114.4 | -4.1 | 109.8 | D938 S943 F944 E946 L983 W987 T988 W989 | D938-R1036 IonicContact OD2-CZ 3.14Å; D938-R1036 IonicContact OD2-NH1 3.28Å; D938-R1036 PolarHBondContact OD2-NH1 2.68Å; D938-R1036 IonicContact OD2-NH2 2.84Å; D938-R1036 PolarHBondContact OD2-NH2 3.45Å; S943-R1036 CarbonylContact C-O 3.59Å; S943-R1036 WeakPolarHBondContact CA-O 3.24Å; F944-R1036 HydrophobicContact CB-CG 4.02Å; F944-R1036 PolarHBondContact N-O 3.07Å; F944-R1036 WeakPolarHBondContact O-CG 3.44Å; F944-R1036 PolarHBondContact O-N 2.79Å; E946-R1036 IonicContact OE1-CZ 3.96Å; E946-R1036 IonicContact OE1-NE 3.47Å; E946-R1036 PolarHBondContact OE1-NE 2.78Å; E946-R1036 VanDerWaalsContact OE1-NE 3.17Å; E946-R1036 IonicContact OE1-NH2 3.59Å; E946-R1036 PolarHBondContact OE1-NH2 2.82Å; L983-R1036 HydrophobicContact CD1-CB 4.17Å; W987-R1036 HydrophobicContact CD2-CG 4.29Å; W987-R1036 VanDerWaalsContact CD2-NH1 3.28Å; W987-R1036 HydrophobicContact CE3-CB 3.84Å; W987-R1036 HydrophobicContact CE3-CG 3.56Å; W987-R1036 HydrophobicContact CZ3-CG 3.97Å; W987-R1036 WeakPolarHBondContact CZ3-O 3.39Å; T988-R1036 CarbonylContact O-C 3.6Å; T988-R1036 VanDerWaalsContact O-CA 3.23Å; T988-R1036 WeakPolarHBondContact O-CA 3.26Å; T988-R1036 WeakPolarHBondContact O-CB 3.26Å; W989-R1036 HydrophobicContact CE3-CB 3.75Å; W989-R1036 HydrophobicContact CZ3-CB 3.83Å; W989-R1036 HydrophobicContact CZ3-CG 4.17Å |
| 1037 | I | 74.8 | Confident | 72.1 | Confident | 81 Ų | 81 | 48 Ų | 48 | 42% | 0.415 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137 | 176.2 | -62.7 | 160.6 | 0 | 0 | 0 | 108.1 | T942 W987 T988 A990 G1039 | T942-I1037 WeakPolarHBondContact O-CA 3.23Å; W987-I1037 CarbonylContact C-O 3.53Å; T988-I1037 PolarHBondContact N-O 2.71Å; T988-I1037 PolarHBondContact O-N 2.79Å; T988-I1037 PolarHBondContact OG1-O 2.92Å; T988-I1037 VanDerWaalsContact OG1-O 3.06Å; A990-I1037 HydrophobicContact CB-CD1 3.4Å; A990-I1037 HydrophobicContact CB-CG1 3.77Å; I1037-G1039 PolarHBondContact O-N 2.85Å |
| 1038 | L | 67.9 | Low | 70.2 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 121.9 | 174.9 | -169.6 | 73.5 | 0 | 0 | 0 | 108.6 | T942 W987 G1042 P1044 | T942-L1038 PolarHBondContact O-N 2.82Å; W987-L1038 HydrophobicContact CD2-CB 4.25Å; W987-L1038 HydrophobicContact CD2-CD1 3.95Å; W987-L1038 HydrophobicContact CE3-CB 4.2Å; W987-L1038 VanDerWaalsContact CE3-N 3.26Å; W987-L1038 HydrophobicContact CG-CD1 4.13Å; W987-L1038 HydrophobicContact CH2-CB 4.27Å; W987-L1038 HydrophobicContact CZ2-CB 4.3Å; W987-L1038 HydrophobicContact CZ2-CD1 4.01Å; W987-L1038 HydrophobicContact CZ3-CB 4.2Å; L1038-G1042 WeakPolarHBondContact CD2-O 3.41Å; L1038-P1044 HydrophobicContact CD2-CB 4.19Å; L1038-P1044 HydrophobicContact CD2-CG 3.97Å |
| 1039 | G | 61.1 | Low | 68.3 | Low | 23 Ų | 23 | 48.3 Ų | 48.3 | 24% | 0.237 | 26% | 0.26 | C | S | . | . | trans | -74.1 | 167.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G986 I1037 V1041 G1042 | G986-G1039 PolarHBondContact O-N 3.23Å; I1037-G1039 PolarHBondContact O-N 2.85Å; G1039-V1041 PolarHBondContact O-N 2.82Å; G1039-G1042 WeakPolarHBondContact O-CA 3.46Å; G1039-G1042 PolarHBondContact O-N 2.98Å | ||
| 1040 | D | 55.3 | Low | 66.2 | Low | 182 Ų | 182 | 49.1 Ų | 49.1 | 97% | 0.973 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.1 | -175 | -68.6 | -27.6 | 0 | 0 | 0 | 115 | ||
| 1041 | V | 49.5 | Very low | 64.2 | Low | 142 Ų | 142 | 52.9 Ų | 52.9 | 86% | 0.861 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9.7 | 178.8 | -164 | 0 | 0 | 0 | 0 | 111.8 | G1039 V1043 | G1039-V1041 PolarHBondContact O-N 2.82Å; V1041-V1043 PolarHBondContact O-N 2.87Å |
| 1042 | G | 45.9 | Very low | 62.2 | Low | 14 Ų | 14 | 53.7 Ų | 53.7 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | trans | -71.2 | 113.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1038 G1039 | L1038-G1042 WeakPolarHBondContact CD2-O 3.41Å; G1039-G1042 WeakPolarHBondContact O-CA 3.46Å; G1039-G1042 PolarHBondContact O-N 2.98Å | ||
| 1043 | V | 51.1 | Low | 60.1 | Low | 59 Ų | 59 | 53.5 Ų | 53.5 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | trans | -67.9 | 125.3 | 165.3 | 177.7 | 0 | 0 | 0 | 0 | 106.9 | V1041 V1045 Q1047 | V1041-V1043 PolarHBondContact O-N 2.87Å; V1043-V1045 PolarHBondContact O-N 2.84Å; V1043-Q1047 HydrophobicContact CG1-CB 3.46Å; V1043-Q1047 VanDerWaalsContact CG1-CB 3.46Å | ||
| 1044 | P | 52.3 | Low | 58.1 | Low | 39 Ų | 39 | 53.9 Ų | 53.9 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | trans | -51.3 | 135 | 176.3 | -25.2 | 32.4 | 0 | 0 | 0 | 109.4 | L1038 K1046 Q1047 E1048 | L1038-P1044 HydrophobicContact CD2-CB 4.19Å; L1038-P1044 HydrophobicContact CD2-CG 3.97Å; P1044-K1046 CarbonylContact O-C 3.56Å; P1044-K1046 PolarHBondContact O-N 2.87Å; P1044-Q1047 PolarHBondContact O-N 2.9Å; P1044-E1048 PolarHBondContact O-N 3.45Å | ||
| 1045 | V | 50.4 | Low | 56.1 | Low | 27 Ų | 27 | 54.9 Ų | 54.9 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.6 | -30.1 | -179.9 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | V1043 E1048 V1049 | V1043-V1045 PolarHBondContact O-N 2.84Å; V1045-E1048 PolarHBondContact O-N 2.86Å; V1045-V1049 HydrophobicContact CG1-CG2 3.9Å; V1045-V1049 VanDerWaalsContact O-CB 3.31Å; V1045-V1049 WeakPolarHBondContact O-CB 3.07Å; V1045-V1049 WeakPolarHBondContact O-CG2 3.15Å; V1045-V1049 PolarHBondContact O-N 2.81Å |
| 1046 | K | 49.4 | Very low | 54.4 | Low | 19 Ų | 19 | 60.8 Ų | 60.8 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.6 | -53.7 | 170.2 | -171.4 | -177.2 | -172.7 | -177.1 | 0 | 112.2 | Y639 P1044 E1048 V1049 L1050 G1186 H1187 | Y639-K1046 WeakPolarHBondContact OH-CE 3.31Å; P1044-K1046 CarbonylContact O-C 3.56Å; P1044-K1046 PolarHBondContact O-N 2.87Å; K1046-E1048 PolarHBondContact O-N 3.28Å; K1046-V1049 PolarHBondContact O-N 3.02Å; K1046-L1050 WeakPolarHBondContact O-CA 3.35Å; K1046-L1050 WeakPolarHBondContact O-CB 3.28Å; K1046-L1050 PolarHBondContact O-N 2.89Å; K1046-G1186 PolarHBondContact NZ-O 2.8Å; K1046-H1187 PolarHBondContact NZ-CD2 2.92Å; K1046-H1187 VanDerWaalsContact NZ-CD2 3.3Å; K1046-H1187 PolarHBondContact NZ-NE2 2.89Å |
| 1047 | Q | 52 | Low | 53 | Low | 47 Ų | 47 | 64.6 Ų | 64.6 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.1 | -34.6 | -179.9 | -79.8 | -176.5 | -5.1 | 0 | 0 | 112.6 | V1043 P1044 R1051 H1210 | V1043-Q1047 HydrophobicContact CG1-CB 3.46Å; V1043-Q1047 VanDerWaalsContact CG1-CB 3.46Å; P1044-Q1047 PolarHBondContact O-N 2.9Å; Q1047-R1051 VanDerWaalsContact O-CB 3.3Å; Q1047-R1051 WeakPolarHBondContact O-CB 3.47Å; Q1047-R1051 VanDerWaalsContact O-CG 3.26Å; Q1047-R1051 WeakPolarHBondContact O-CG 3.18Å; Q1047-R1051 PolarHBondContact O-N 2.72Å; Q1047-H1210 PolarHBondContact NE2-CD2 2.81Å |
| 1048 | E | 53 | Low | 52.2 | Low | 79 Ų | 79 | 63.6 Ų | 63.6 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.3 | -46.9 | 176 | -172.9 | 60.5 | -159.2 | 0 | 0 | 111.5 | P1044 V1045 K1046 L1050 R1051 Q1052 | P1044-E1048 PolarHBondContact O-N 3.45Å; V1045-E1048 PolarHBondContact O-N 2.86Å; K1046-E1048 PolarHBondContact O-N 3.28Å; E1048-L1050 VanDerWaalsContact C-N 3.34Å; E1048-L1050 PolarHBondContact O-N 2.93Å; E1048-R1051 PolarHBondContact O-N 3Å; E1048-Q1052 WeakPolarHBondContact O-CB 3.41Å; E1048-Q1052 WeakPolarHBondContact O-CG 3.39Å; E1048-Q1052 PolarHBondContact O-N 2.78Å; E1048-Q1052 PolarHBondContact OE1-NE2 3.46Å |
| 1049 | V | 51.9 | Low | 51.8 | Low | 13 Ų | 13 | 69.2 Ų | 69.2 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 173.2 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | L934 Y935 V1045 K1046 Q1052 V1053 | L934-V1049 HydrophobicContact CB-CG1 4.39Å; Y935-V1049 HydrophobicContact CE1-CG1 4.42Å; V1045-V1049 HydrophobicContact CG1-CG2 3.9Å; V1045-V1049 VanDerWaalsContact O-CB 3.31Å; V1045-V1049 WeakPolarHBondContact O-CB 3.07Å; V1045-V1049 WeakPolarHBondContact O-CG2 3.15Å; V1045-V1049 PolarHBondContact O-N 2.81Å; K1046-V1049 PolarHBondContact O-N 3.02Å; V1049-Q1052 PolarHBondContact O-N 2.92Å; V1049-V1053 HydrophobicContact CG1-CG2 3.83Å; V1049-V1053 VanDerWaalsContact O-CB 3.24Å; V1049-V1053 WeakPolarHBondContact O-CB 3.34Å; V1049-V1053 WeakPolarHBondContact O-CG2 3.48Å; V1049-V1053 PolarHBondContact O-N 2.82Å |
| 1050 | L | 49.9 | Very low | 51.8 | Low | 44 Ų | 44 | 69.9 Ų | 69.9 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.8 | -51.8 | 176.9 | -144.8 | 83.8 | 0 | 0 | 0 | 109.8 | K1046 E1048 Q1052 V1053 I1054 | K1046-L1050 WeakPolarHBondContact O-CA 3.35Å; K1046-L1050 WeakPolarHBondContact O-CB 3.28Å; K1046-L1050 PolarHBondContact O-N 2.89Å; E1048-L1050 VanDerWaalsContact C-N 3.34Å; E1048-L1050 PolarHBondContact O-N 2.93Å; L1050-Q1052 VanDerWaalsContact C-N 3.27Å; L1050-Q1052 PolarHBondContact O-N 2.9Å; L1050-V1053 PolarHBondContact O-N 3.2Å; L1050-I1054 HydrophobicContact CB-CD1 4.15Å; L1050-I1054 HydrophobicContact CD2-CD1 3.75Å; L1050-I1054 HydrophobicContact CG-CD1 3.6Å; L1050-I1054 HydrophobicContact CG-CG1 4.26Å; L1050-I1054 WeakPolarHBondContact O-CB 2.94Å; L1050-I1054 VanDerWaalsContact O-CD1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CD1 3.43Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.4Å; L1050-I1054 PolarHBondContact O-N 2.86Å |
| 1051 | R | 50.6 | Low | 52 | Low | 144 Ų | 144 | 63.4 Ų | 63.4 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56 | -40.4 | 176.3 | -79.8 | 178.5 | -179.5 | 172.8 | 3.2 | 112.7 | Q1047 E1048 A1055 | Q1047-R1051 VanDerWaalsContact O-CB 3.3Å; Q1047-R1051 WeakPolarHBondContact O-CB 3.47Å; Q1047-R1051 VanDerWaalsContact O-CG 3.26Å; Q1047-R1051 WeakPolarHBondContact O-CG 3.18Å; Q1047-R1051 PolarHBondContact O-N 2.72Å; E1048-R1051 PolarHBondContact O-N 3Å; R1051-A1055 PolarHBondContact O-N 2.9Å |
| 1052 | Q | 50.8 | Low | 52.5 | Low | 75 Ų | 75 | 59.2 Ų | 59.2 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.5 | -33 | -179.6 | -69.4 | 176.2 | -3.2 | 0 | 0 | 112.9 | E1048 V1049 L1050 L1064 | E1048-Q1052 WeakPolarHBondContact O-CB 3.41Å; E1048-Q1052 WeakPolarHBondContact O-CG 3.39Å; E1048-Q1052 PolarHBondContact O-N 2.78Å; E1048-Q1052 PolarHBondContact OE1-NE2 3.46Å; V1049-Q1052 PolarHBondContact O-N 2.92Å; L1050-Q1052 VanDerWaalsContact C-N 3.27Å; L1050-Q1052 PolarHBondContact O-N 2.9Å; Q1052-L1064 HydrophobicContact CB-CD1 3.99Å; Q1052-L1064 HydrophobicContact CB-CD2 4.03Å |
| 1053 | V | 48.1 | Very low | 53.3 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -78.7 | -29.8 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | L931 L934 V1049 L1050 A1055 R1061 L1064 | L931-V1053 HydrophobicContact CD2-CG1 4.07Å; L934-V1053 HydrophobicContact CB-CG2 4.31Å; L934-V1053 HydrophobicContact CD1-CG1 4.26Å; L934-V1053 HydrophobicContact CD1-CG2 3.58Å; L934-V1053 HydrophobicContact CG-CG2 4.49Å; V1049-V1053 HydrophobicContact CG1-CG2 3.83Å; V1049-V1053 VanDerWaalsContact O-CB 3.24Å; V1049-V1053 WeakPolarHBondContact O-CB 3.34Å; V1049-V1053 WeakPolarHBondContact O-CG2 3.48Å; V1049-V1053 PolarHBondContact O-N 2.82Å; L1050-V1053 PolarHBondContact O-N 3.2Å; V1053-A1055 VanDerWaalsContact C-N 3.29Å; V1053-R1061 HydrophobicContact CG1-CG 4.37Å; V1053-R1061 PolarHBondContact O-NE 3.39Å; V1053-L1064 HydrophobicContact CG2-CD2 3.45Å; V1053-L1064 VanDerWaalsContact CG2-CD2 3.45Å |
| 1054 | I | 47.1 | Very low | 53.8 | Low | 49 Ų | 49 | 59.3 Ų | 59.3 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.1 | -18 | 176.3 | -70 | 163 | 0 | 0 | 0 | 111.7 | L1050 H1056 E1212 | L1050-I1054 HydrophobicContact CB-CD1 4.15Å; L1050-I1054 HydrophobicContact CD2-CD1 3.75Å; L1050-I1054 HydrophobicContact CG-CD1 3.6Å; L1050-I1054 HydrophobicContact CG-CG1 4.26Å; L1050-I1054 WeakPolarHBondContact O-CB 2.94Å; L1050-I1054 VanDerWaalsContact O-CD1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CD1 3.43Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.4Å; L1050-I1054 PolarHBondContact O-N 2.86Å; I1054-H1056 WeakPolarHBondContact O-CA 3.47Å; I1054-H1056 PolarHBondContact O-N 2.6Å; I1054-E1212 WeakPolarHBondContact CD1-OE2 3.42Å |
| 1055 | A | 47.4 | Very low | 54 | Low | 40 Ų | 40 | 57.7 Ų | 57.7 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -51.9 | 108.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | R1051 V1053 D1057 | R1051-A1055 PolarHBondContact O-N 2.9Å; V1053-A1055 VanDerWaalsContact C-N 3.29Å; A1055-D1057 PolarHBondContact O-N 3.24Å |
| 1056 | H | 50.5 | Low | 54.5 | Low | 156 Ų | 156 | 60.6 Ų | 60.6 | 72% | 0.722 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -61.7 | 9.7 | -151.9 | -86.5 | -49.6 | 0 | 0 | 0 | 117.6 | I1054 | I1054-H1056 WeakPolarHBondContact O-CA 3.47Å; I1054-H1056 PolarHBondContact O-N 2.6Å |
| 1057 | D | 54.5 | Low | 55.1 | Low | 85 Ų | 85 | 63.9 Ų | 63.9 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -121.2 | 141.7 | 178.7 | -170.3 | 13 | 0 | 0 | 0 | 111.5 | A1055 Q1059 S1060 R1061 | A1055-D1057 PolarHBondContact O-N 3.24Å; D1057-Q1059 PolarHBondContact O-N 2.71Å; D1057-Q1059 VanDerWaalsContact O-N 3.11Å; D1057-Q1059 PolarHBondContact OD1-N 2.71Å; D1057-Q1059 WeakPolarHBondContact OD2-CB 3.02Å; D1057-S1060 WeakPolarHBondContact O-CB 3.14Å; D1057-S1060 PolarHBondContact O-N 2.93Å; D1057-R1061 PolarHBondContact O-N 3.21Å |
| 1058 | Q | 57.6 | Low | 55.5 | Low | 61 Ų | 61 | 62.7 Ų | 62.7 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.1 | -31 | 172.1 | -172.2 | -179.6 | -16.9 | 0 | 0 | 111.7 | V927 S1060 R1061 L1062 | V927-Q1058 PolarHBondContact O-NE2 2.72Å; Q1058-S1060 VanDerWaalsContact C-N 3.32Å; Q1058-S1060 PolarHBondContact O-N 3.19Å; Q1058-R1061 PolarHBondContact O-N 3.36Å; Q1058-L1062 HydrophobicContact CG-CD1 4.42Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.23Å; Q1058-L1062 WeakPolarHBondContact O-CG 3.24Å; Q1058-L1062 PolarHBondContact O-N 2.97Å |
| 1059 | Q | 60.2 | Low | 55.7 | Low | 143 Ų | 143 | 59.6 Ų | 59.6 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.4 | -32.3 | 176.4 | -159.7 | 146.2 | -0.1 | 0 | 0 | 113.3 | D1057 S1063 | D1057-Q1059 PolarHBondContact O-N 2.71Å; D1057-Q1059 VanDerWaalsContact O-N 3.11Å; D1057-Q1059 PolarHBondContact OD1-N 2.71Å; D1057-Q1059 WeakPolarHBondContact OD2-CB 3.02Å; Q1059-S1063 WeakPolarHBondContact O-CB 3.42Å; Q1059-S1063 PolarHBondContact O-N 2.95Å; Q1059-S1063 PolarHBondContact O-OG 2.81Å |
| 1060 | S | 60.5 | Low | 55.9 | Low | 37 Ų | 37 | 62.9 Ų | 62.9 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73.9 | -37.7 | 174.8 | -55.4 | 0 | 0 | 0 | 0 | 112 | D1057 Q1058 S1063 L1064 | D1057-S1060 WeakPolarHBondContact O-CB 3.14Å; D1057-S1060 PolarHBondContact O-N 2.93Å; Q1058-S1060 VanDerWaalsContact C-N 3.32Å; Q1058-S1060 PolarHBondContact O-N 3.19Å; S1060-S1063 WeakPolarHBondContact CA-OG 3.24Å; S1060-S1063 PolarHBondContact O-N 3.1Å; S1060-S1063 PolarHBondContact O-OG 3.17Å; S1060-L1064 WeakPolarHBondContact O-CB 3.45Å; S1060-L1064 PolarHBondContact O-N 3.41Å |
| 1061 | R | 59.3 | Low | 56.4 | Low | 46 Ų | 46 | 64.7 Ų | 64.7 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 173 | -65.1 | -178 | -178.1 | 163 | 2 | 111.2 | D644 D645 V1053 D1057 Q1058 L1064 L1065 | D644-R1061 IonicContact OD2-NH2 2.68Å; D645-R1061 IonicContact OD2-NH1 3.51Å; D645-R1061 PolarHBondContact OD2-NH1 2.78Å; V1053-R1061 HydrophobicContact CG1-CG 4.37Å; V1053-R1061 PolarHBondContact O-NE 3.39Å; D1057-R1061 PolarHBondContact O-N 3.21Å; Q1058-R1061 PolarHBondContact O-N 3.36Å; R1061-L1064 PolarHBondContact O-N 2.98Å; R1061-L1065 WeakPolarHBondContact O-CB 3.42Å; R1061-L1065 PolarHBondContact O-N 3.48Å |
| 1062 | L | 59.3 | Low | 56.5 | Low | 54 Ų | 54 | 60.8 Ų | 60.8 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 172.8 | -75.2 | 169.3 | 0 | 0 | 0 | 111.1 | P929 Q1058 L1064 L1065 Q1066 A1075 | P929-L1062 HydrophobicContact CG-CD2 4.24Å; Q1058-L1062 HydrophobicContact CG-CD1 4.42Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.23Å; Q1058-L1062 WeakPolarHBondContact O-CG 3.24Å; Q1058-L1062 PolarHBondContact O-N 2.97Å; L1062-L1064 VanDerWaalsContact C-N 3.34Å; L1062-L1064 PolarHBondContact O-N 2.98Å; L1062-L1065 PolarHBondContact O-N 3.2Å; L1062-Q1066 WeakPolarHBondContact O-CA 3.48Å; L1062-Q1066 WeakPolarHBondContact O-CB 3.24Å; L1062-Q1066 PolarHBondContact O-N 2.9Å; L1062-A1075 HydrophobicContact CD2-CB 4.48Å |
| 1063 | S | 63.2 | Low | 56.8 | Low | 58 Ų | 58 | 61.7 Ų | 61.7 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.5 | -30.2 | 178.1 | 76.8 | 0 | 0 | 0 | 0 | 113.4 | Q1059 S1060 Q1066 S1067 | Q1059-S1063 WeakPolarHBondContact O-CB 3.42Å; Q1059-S1063 PolarHBondContact O-N 2.95Å; Q1059-S1063 PolarHBondContact O-OG 2.81Å; S1060-S1063 WeakPolarHBondContact CA-OG 3.24Å; S1060-S1063 PolarHBondContact O-N 3.1Å; S1060-S1063 PolarHBondContact O-OG 3.17Å; S1063-Q1066 VanDerWaalsContact O-CB 3.29Å; S1063-Q1066 WeakPolarHBondContact O-CB 3.4Å; S1063-S1067 PolarHBondContact O-N 2.82Å; S1063-S1067 VanDerWaalsContact O-N 3.08Å |
| 1064 | L | 61.2 | Low | 57.9 | Low | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.9 | -48.8 | 171.2 | -175.8 | 69 | 0 | 0 | 0 | 110.9 | L934 Q1052 V1053 S1060 R1061 L1062 Q1066 S1067 L1068 | L934-L1064 HydrophobicContact CD2-CD2 4.15Å; L934-L1064 HydrophobicContact CD2-CG 4.37Å; Q1052-L1064 HydrophobicContact CB-CD1 3.99Å; Q1052-L1064 HydrophobicContact CB-CD2 4.03Å; V1053-L1064 HydrophobicContact CG2-CD2 3.45Å; V1053-L1064 VanDerWaalsContact CG2-CD2 3.45Å; S1060-L1064 WeakPolarHBondContact O-CB 3.45Å; S1060-L1064 PolarHBondContact O-N 3.41Å; R1061-L1064 PolarHBondContact O-N 2.98Å; L1062-L1064 VanDerWaalsContact C-N 3.34Å; L1062-L1064 PolarHBondContact O-N 2.98Å; L1064-Q1066 PolarHBondContact O-N 3.46Å; L1064-S1067 WeakPolarHBondContact O-CB 3.12Å; L1064-S1067 PolarHBondContact O-N 3.45Å; L1064-S1067 PolarHBondContact O-OG 2.92Å; L1064-L1068 HydrophobicContact CG-CD1 4.44Å; L1064-L1068 WeakPolarHBondContact O-CG 3.09Å; L1064-L1068 PolarHBondContact O-N 2.91Å |
| 1065 | L | 57.4 | Low | 59.2 | Low | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 175.2 | -161.9 | 115.6 | 0 | 0 | 0 | 111.1 | P929 L934 R1061 L1062 S1067 L1068 S1069 A1075 T1088 | P929-L1065 HydrophobicContact CB-CD1 3.61Å; P929-L1065 HydrophobicContact CB-CD2 4.26Å; P929-L1065 HydrophobicContact CG-CD1 3.92Å; P929-L1065 HydrophobicContact CG-CD2 3.78Å; P929-L1065 HydrophobicContact CG-CG 4.4Å; L934-L1065 HydrophobicContact CD2-CB 3.9Å; L934-L1065 HydrophobicContact CD2-CD1 3.6Å; L934-L1065 HydrophobicContact CD2-CG 4.23Å; L934-L1065 HydrophobicContact CG-CD1 4.37Å; R1061-L1065 WeakPolarHBondContact O-CB 3.42Å; R1061-L1065 PolarHBondContact O-N 3.48Å; L1062-L1065 PolarHBondContact O-N 3.2Å; L1065-S1067 VanDerWaalsContact C-N 3.31Å; L1065-S1067 PolarHBondContact O-N 2.95Å; L1065-L1068 PolarHBondContact O-N 2.88Å; L1065-S1069 WeakPolarHBondContact O-CB 3.35Å; L1065-S1069 PolarHBondContact O-N 3.21Å; L1065-A1075 HydrophobicContact CD2-CB 3.27Å; L1065-T1088 HydrophobicContact CD1-CG2 4.15Å; L1065-T1088 HydrophobicContact CG-CG2 4.46Å |
| 1066 | Q | 59.6 | Low | 61.1 | Low | 88 Ų | 88 | 61.1 Ų | 61.1 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 172.4 | -178.6 | 175.4 | 11.3 | 0 | 0 | 110.9 | L1062 S1063 L1064 L1068 P1072 | L1062-Q1066 WeakPolarHBondContact O-CA 3.48Å; L1062-Q1066 WeakPolarHBondContact O-CB 3.24Å; L1062-Q1066 PolarHBondContact O-N 2.9Å; S1063-Q1066 VanDerWaalsContact O-CB 3.29Å; S1063-Q1066 WeakPolarHBondContact O-CB 3.4Å; L1064-Q1066 PolarHBondContact O-N 3.46Å; Q1066-L1068 VanDerWaalsContact C-N 3.3Å; Q1066-L1068 PolarHBondContact O-N 2.82Å; Q1066-P1072 WeakPolarHBondContact CA-O 3.4Å; Q1066-P1072 HydrophobicContact CB-CB 3.97Å; Q1066-P1072 WeakPolarHBondContact CB-O 3.21Å; Q1066-P1072 HydrophobicContact CG-CB 3.03Å; Q1066-P1072 HydrophobicContact CG-CG 4.4Å; Q1066-P1072 WeakPolarHBondContact CG-O 3.47Å; Q1066-P1072 VanDerWaalsContact O-CB 3.31Å; Q1066-P1072 WeakPolarHBondContact O-CB 3.48Å |
| 1067 | S | 63.3 | Low | 62.9 | Low | 87 Ų | 87 | 53.9 Ų | 53.9 | 61% | 0.608 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -71.6 | -20.8 | 175.2 | 80 | 0 | 0 | 0 | 0 | 114.5 | S1063 L1064 L1065 | S1063-S1067 PolarHBondContact O-N 2.82Å; S1063-S1067 VanDerWaalsContact O-N 3.08Å; L1064-S1067 WeakPolarHBondContact O-CB 3.12Å; L1064-S1067 PolarHBondContact O-N 3.45Å; L1064-S1067 PolarHBondContact O-OG 2.92Å; L1065-S1067 VanDerWaalsContact C-N 3.31Å; L1065-S1067 PolarHBondContact O-N 2.95Å |
| 1068 | L | 59.9 | Low | 64.5 | Low | 22 Ų | 22 | 49.9 Ų | 49.9 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -96.2 | -25 | -177.2 | -65.7 | 171.7 | 0 | 0 | 0 | 113.3 | L934 L1064 L1065 Q1066 K1089 | L934-L1068 HydrophobicContact CD2-CD1 4.09Å; L1064-L1068 HydrophobicContact CG-CD1 4.44Å; L1064-L1068 WeakPolarHBondContact O-CG 3.09Å; L1064-L1068 PolarHBondContact O-N 2.91Å; L1065-L1068 PolarHBondContact O-N 2.88Å; Q1066-L1068 VanDerWaalsContact C-N 3.3Å; Q1066-L1068 PolarHBondContact O-N 2.82Å; L1068-K1089 WeakPolarHBondContact O-CE 3.41Å; L1068-K1089 VanDerWaalsContact O-CG 3.24Å; L1068-K1089 WeakPolarHBondContact O-CG 3.36Å |
| 1069 | S | 56.9 | Low | 65.8 | Low | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -82.5 | 155.1 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | L1065 E1071 | L1065-S1069 WeakPolarHBondContact O-CB 3.35Å; L1065-S1069 PolarHBondContact O-N 3.21Å; S1069-E1071 PolarHBondContact OG-N 2.54Å; S1069-E1071 VanDerWaalsContact OG-N 3.09Å; S1069-E1071 PolarHBondContact OG-O 3.44Å |
| 1070 | T | 57.4 | Low | 66.8 | Low | 83 Ų | 83 | 45 Ų | 45 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69.8 | -38.6 | 166 | 34.1 | 0 | 0 | 0 | 0 | 112 | P1072 | T1070-P1072 WeakPolarHBondContact O-CD 3.26Š|
| 1071 | E | 59.5 | Low | 67.8 | Low | 81 Ų | 81 | 46 Ų | 46 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -111.4 | 96.1 | 178.6 | -73.1 | -172.8 | 157.4 | 0 | 0 | 109.2 | S1069 A1073 E1074 R1097 | S1069-E1071 PolarHBondContact OG-N 2.54Å; S1069-E1071 VanDerWaalsContact OG-N 3.09Å; S1069-E1071 PolarHBondContact OG-O 3.44Å; E1071-A1073 PolarHBondContact O-N 3.09Å; E1071-E1074 PolarHBondContact O-N 3.37Å; E1071-R1097 IonicContact OE2-NH1 2.76Å; E1071-R1097 PolarHBondContact OE2-NH1 3.14Å |
| 1072 | P | 52.5 | Low | 68.7 | Low | 62 Ų | 62 | 44.7 Ų | 44.7 | 40% | 0.403 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -37.9 | -160.1 | -20.2 | 33.2 | 0 | 0 | 0 | 112.9 | Q1066 T1070 E1074 | Q1066-P1072 WeakPolarHBondContact CA-O 3.4Å; Q1066-P1072 HydrophobicContact CB-CB 3.97Å; Q1066-P1072 WeakPolarHBondContact CB-O 3.21Å; Q1066-P1072 HydrophobicContact CG-CB 3.03Å; Q1066-P1072 HydrophobicContact CG-CG 4.4Å; Q1066-P1072 WeakPolarHBondContact CG-O 3.47Å; Q1066-P1072 VanDerWaalsContact O-CB 3.31Å; Q1066-P1072 WeakPolarHBondContact O-CB 3.48Å; T1070-P1072 WeakPolarHBondContact O-CD 3.26Å; P1072-E1074 VanDerWaalsContact C-N 3.32Å; P1072-E1074 PolarHBondContact O-N 2.56Å |
| 1073 | A | 57.8 | Low | 69.4 | Low | 94 Ų | 94 | 47.1 Ų | 47.1 | 78% | 0.777 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -13.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1071 | E1071-A1073 PolarHBondContact O-N 3.09Š|
| 1074 | E | 70.5 | Confident | 69.9 | Low | 82 Ų | 82 | 46.3 Ų | 46.3 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -21.1 | -166.6 | -67.2 | -158.1 | -171.2 | 0 | 0 | 114.9 | E1071 P1072 W1076 R1099 | E1071-E1074 PolarHBondContact O-N 3.37Å; P1072-E1074 VanDerWaalsContact C-N 3.32Å; P1072-E1074 PolarHBondContact O-N 2.56Å; E1074-W1076 PolarHBondContact O-N 2.9Å; E1074-W1076 PolarHBondContact OE2-NE1 2.78Å; E1074-R1099 WeakPolarHBondContact O-CD 3.4Å; E1074-R1099 PolarHBondContact O-NH1 3.24Å; E1074-R1099 IonicContact OE2-NH1 3.76Å |
| 1075 | A | 75.4 | Confident | 70.7 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | trans | 54 | 45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | V927 P929 L1062 L1065 | V927-A1075 HydrophobicContact CG1-CB 3.78Å; P929-A1075 HydrophobicContact CG-CB 4.06Å; L1062-A1075 HydrophobicContact CD2-CB 4.48Å; L1065-A1075 HydrophobicContact CD2-CB 3.27Å | ||
| 1076 | W | 87.4 | Confident | 72 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | trans | -71.6 | 144.3 | 171 | -72.3 | 106.4 | 0 | 0 | 0 | 112.3 | E878 Q880 E1074 Y1078 R1097 R1098 R1099 | E878-W1076 HydrophobicContact CB-CH2 4.39Å; E878-W1076 HydrophobicContact CG-CH2 3.85Å; E878-W1076 HydrophobicContact CG-CZ3 4.45Å; E878-W1076 WeakPolarHBondContact O-CZ3 3.32Å; Q880-W1076 HydrophobicContact CG-CH2 3.85Å; Q880-W1076 HydrophobicContact CG-CZ3 4.23Å; E1074-W1076 PolarHBondContact O-N 2.9Å; E1074-W1076 PolarHBondContact OE2-NE1 2.78Å; W1076-Y1078 HydrophobicContact CB-CE1 4.47Å; W1076-Y1078 HydrophobicContact CB-CE2 3.8Å; W1076-R1097 HydrophobicContact CD2-CG 4.08Å; W1076-R1097 HydrophobicContact CE3-CB 4.1Å; W1076-R1097 HydrophobicContact CE3-CG 3.58Å; W1076-R1097 HydrophobicContact CZ3-CG 4Å; W1076-R1098 VanDerWaalsContact CE3-C 3.48Å; W1076-R1099 HydrophobicContact CD2-CB 4.33Å; W1076-R1099 HydrophobicContact CE3-CB 3.83Å; W1076-R1099 HydrophobicContact CH2-CB 4.42Å; W1076-R1099 HydrophobicContact CZ3-CB 3.89Å | ||
| 1077 | E | 87.9 | Confident | 72.9 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.2 | 173.1 | -46.5 | 175.5 | 179.4 | 0 | 0 | 108.4 | L933 F1086 R1097 R1098 | L933-E1077 HydrophobicContact CD1-CG 3.71Å; L933-E1077 WeakPolarHBondContact CD1-OE1 3.41Å; E1077-F1086 HydrophobicContact CB-CB 4.04Å; E1077-F1086 HydrophobicContact CB-CD1 3.81Å; E1077-F1086 HydrophobicContact CB-CG 4.27Å; E1077-F1086 WeakPolarHBondContact O-CD1 3.48Å; E1077-R1097 CarbonylContact O-C 3.58Å; E1077-R1097 WeakPolarHBondContact O-CA 3.42Å; E1077-R1097 WeakPolarHBondContact O-CB 3.44Å; E1077-R1098 HydrophobicContact CB-CG 4.09Å; E1077-R1098 WeakPolarHBondContact CB-O 3.45Å; E1077-R1098 PolarHBondContact N-O 3.04Å; E1077-R1098 PolarHBondContact O-N 3.15Å; E1077-R1098 IonicContact OE2-CZ 2.74Å; E1077-R1098 IonicContact OE2-NE 3.98Å; E1077-R1098 PolarHBondContact OE2-NE 2.84Å; E1077-R1098 IonicContact OE2-NH2 2.77Å; E1077-R1098 PolarHBondContact OE2-NH2 3.39Å |
| 1078 | Y | 87.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 149.6 | -174 | -57.1 | -95 | 0 | 0 | 0 | 112 | W887 W1076 F1086 H1087 E1090 D1094 R1097 | W887-Y1078 HydrophobicContact CH2-CD1 4.01Å; W887-Y1078 HydrophobicContact CH2-CE1 4.45Å; W887-Y1078 AromaticContact CZ2-CD1 3.65Å; W887-Y1078 HydrophobicContact CZ2-CD1 3.65Å; W887-Y1078 AromaticContact CZ2-CE1 3.74Å; W887-Y1078 HydrophobicContact CZ2-CE1 3.74Å; W1076-Y1078 HydrophobicContact CB-CE1 4.47Å; W1076-Y1078 HydrophobicContact CB-CE2 3.8Å; Y1078-F1086 CarbonylContact O-C 3.49Å; Y1078-F1086 VanDerWaalsContact O-CA 3.26Å; Y1078-F1086 WeakPolarHBondContact O-CA 3.31Å; Y1078-H1087 PolarHBondContact N-O 3.42Å; Y1078-H1087 PolarHBondContact O-CD2 3.18Å; Y1078-H1087 PolarHBondContact O-N 2.88Å; Y1078-E1090 HydrophobicContact CD1-CB 3.79Å; Y1078-E1090 HydrophobicContact CD1-CG 3.85Å; Y1078-E1090 HydrophobicContact CD2-CB 4.23Å; Y1078-E1090 HydrophobicContact CE1-CB 3.69Å; Y1078-E1090 HydrophobicContact CE1-CG 3.82Å; Y1078-E1090 HydrophobicContact CE2-CB 4.15Å; Y1078-E1090 HydrophobicContact CG-CB 4.07Å; Y1078-D1094 WeakPolarHBondContact CB-OD2 3.32Å; Y1078-R1097 HydrophobicContact CD1-CB 3.69Å; Y1078-R1097 HydrophobicContact CE1-CB 3.94Å; Y1078-R1097 HydrophobicContact CE1-CG 4.4Å; Y1078-R1097 HydrophobicContact CG-CB 4.29Å |
| 1079 | A | 85.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 159.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | N1081 F1086 D1094 M1095 V1096 | A1079-N1081 VanDerWaalsContact C-N 3.33Å; A1079-N1081 WeakPolarHBondContact CB-O 3.26Å; A1079-N1081 PolarHBondContact O-N 3.15Å; A1079-F1086 HydrophobicContact CB-CD1 3.75Å; A1079-F1086 HydrophobicContact CB-CD2 4.28Å; A1079-F1086 HydrophobicContact CB-CE1 3.78Å; A1079-F1086 HydrophobicContact CB-CE2 4.31Å; A1079-F1086 HydrophobicContact CB-CG 4.02Å; A1079-F1086 HydrophobicContact CB-CZ 4.07Å; A1079-D1094 WeakPolarHBondContact O-CA 3.42Å; A1079-M1095 PolarHBondContact O-N 3.4Å; A1079-M1095 VanDerWaalsContact O-N 3.13Å; A1079-V1096 HydrophobicContact CB-CG2 4.04Å; A1079-V1096 PolarHBondContact N-O 2.74Å; A1079-V1096 WeakPolarHBondContact O-CG2 3.44Å; A1079-V1096 PolarHBondContact O-N 3.23Å; A1079-V1096 VanDerWaalsContact O-N 3.09Å; A1079-V1096 VanDerWaalsContact O-O 3.1Å |
| 1080 | F | 80.4 | Confident | 75.5 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 45% | 0.447 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -57.1 | -46.3 | 170.6 | 177.7 | -103.6 | 0 | 0 | 0 | 111.6 | V1093 D1094 M1095 | F1080-V1093 HydrophobicContact CD2-CB 4.28Å; F1080-V1093 VanDerWaalsContact CD2-O 3.23Å; F1080-V1093 WeakPolarHBondContact CD2-O 3.48Å; F1080-D1094 PolarHBondContact N-OD1 3.49Å; F1080-M1095 HydrophobicContact CE2-SD 4.21Å; F1080-M1095 HydrophobicContact CZ-SD 4.41Å; F1080-M1095 WeakPolarHBondContact O-CB 3.45Å; F1080-M1095 WeakPolarHBondContact O-CG 3.47Å; F1080-M1095 PolarHBondContact O-N 3.28Å |
| 1081 | N | 80.8 | Confident | 76.5 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -149.2 | 172.4 | 172.7 | 64.2 | 35.8 | 0 | 0 | 0 | 110.2 | A1079 D1083 S1084 | A1079-N1081 VanDerWaalsContact C-N 3.33Å; A1079-N1081 WeakPolarHBondContact CB-O 3.26Å; A1079-N1081 PolarHBondContact O-N 3.15Å; N1081-D1083 PolarHBondContact O-N 3.28Å; N1081-D1083 VanDerWaalsContact O-N 3.16Å; N1081-D1083 PolarHBondContact OD1-N 2.66Å; N1081-D1083 VanDerWaalsContact OD1-N 3.07Å; N1081-S1084 WeakPolarHBondContact O-CB 3.44Å; N1081-S1084 PolarHBondContact O-N 2.74Å; N1081-S1084 VanDerWaalsContact O-N 3.1Å; N1081-S1084 PolarHBondContact OD1-N 3.01Å; N1081-S1084 PolarHBondContact OD1-OG 3.48Å |
| 1082 | F | 79.4 | Confident | 77.2 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.9 | -176.9 | -79.5 | -79.1 | 0 | 0 | 0 | 114.7 | N879 L894 R896 F1086 V1096 | N879-F1082 HydrophobicContact CB-CE1 4.06Å; N879-F1082 HydrophobicContact CB-CZ 3.87Å; N879-F1082 WeakPolarHBondContact OD1-CE1 3.39Å; L894-F1082 HydrophobicContact CD1-CE2 3.94Å; L894-F1082 HydrophobicContact CD1-CZ 3.86Å; R896-F1082 HydrophobicContact CB-CD2 4.02Å; R896-F1082 HydrophobicContact CB-CE1 4.27Å; R896-F1082 HydrophobicContact CB-CE2 3.7Å; R896-F1082 HydrophobicContact CB-CG 4.43Å; R896-F1082 HydrophobicContact CB-CZ 3.87Å; R896-F1082 HydrophobicContact CG-CB 4.23Å; R896-F1082 HydrophobicContact CG-CD1 4.02Å; R896-F1082 HydrophobicContact CG-CD2 3.28Å; R896-F1082 HydrophobicContact CG-CE1 4.24Å; R896-F1082 HydrophobicContact CG-CE2 3.53Å; R896-F1082 HydrophobicContact CG-CG 3.56Å; R896-F1082 HydrophobicContact CG-CZ 4.03Å; F1082-F1086 HydrophobicContact CD1-CZ 4.05Å; F1082-V1096 HydrophobicContact CD2-CB 4.13Å; F1082-V1096 HydrophobicContact CD2-CG1 3.65Å; F1082-V1096 HydrophobicContact CD2-CG2 4.25Å; F1082-V1096 HydrophobicContact CE1-CB 4.46Å; F1082-V1096 HydrophobicContact CE2-CB 3.79Å; F1082-V1096 HydrophobicContact CE2-CG1 3.41Å; F1082-V1096 VanDerWaalsContact CE2-CG1 3.41Å; F1082-V1096 HydrophobicContact CE2-CG2 4.36Å; F1082-V1096 HydrophobicContact CG-CG2 4.32Å; F1082-V1096 HydrophobicContact CZ-CB 3.94Å; F1082-V1096 HydrophobicContact CZ-CG1 4.08Å |
| 1083 | D | 73.4 | Confident | 78.5 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 56% | 0.556 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -1 | -179.1 | -55.2 | -57.6 | 0 | 0 | 0 | 111.8 | R896 N1081 | R896-D1083 IonicContact NH2-OD1 3.4Å; R896-D1083 IonicContact NH2-OD2 3.97Å; N1081-D1083 PolarHBondContact O-N 3.28Å; N1081-D1083 VanDerWaalsContact O-N 3.16Å; N1081-D1083 PolarHBondContact OD1-N 2.66Å; N1081-D1083 VanDerWaalsContact OD1-N 3.07Å |
| 1084 | S | 74.9 | Confident | 79.8 | Confident | 41 Ų | 41 | 50 Ų | 50 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -90.7 | 160 | 176.8 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | N1081 F1086 | N1081-S1084 WeakPolarHBondContact O-CB 3.44Å; N1081-S1084 PolarHBondContact O-N 2.74Å; N1081-S1084 VanDerWaalsContact O-N 3.1Å; N1081-S1084 PolarHBondContact OD1-N 3.01Å; N1081-S1084 PolarHBondContact OD1-OG 3.48Å; S1084-F1086 PolarHBondContact O-N 2.65Å |
| 1085 | K | 78.1 | Confident | 80.5 | Confident | 81 Ų | 81 | 51 Ų | 51 | 35% | 0.352 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -64.5 | 122.5 | 173.2 | -74.4 | 179.2 | 173.2 | 161.8 | 0 | 110.7 | S597 D598 H1087 | S597-K1085 PolarHBondContact O-NZ 3.22Å; D598-K1085 WeakPolarHBondContact O-CE 3.48Å; K1085-H1087 PolarHBondContact O-CD2 3.46Å |
| 1086 | F | 83.7 | Confident | 81.2 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 149.2 | 175.2 | -76.6 | -93.1 | 0 | 0 | 0 | 112.1 | L933 E1077 Y1078 A1079 F1082 S1084 V1096 R1098 | L933-F1086 VanDerWaalsContact CD2-O 3.32Å; L933-F1086 WeakPolarHBondContact CD2-O 3.36Å; E1077-F1086 HydrophobicContact CB-CB 4.04Å; E1077-F1086 HydrophobicContact CB-CD1 3.81Å; E1077-F1086 HydrophobicContact CB-CG 4.27Å; E1077-F1086 WeakPolarHBondContact O-CD1 3.48Å; Y1078-F1086 CarbonylContact O-C 3.49Å; Y1078-F1086 VanDerWaalsContact O-CA 3.26Å; Y1078-F1086 WeakPolarHBondContact O-CA 3.31Å; A1079-F1086 HydrophobicContact CB-CD1 3.75Å; A1079-F1086 HydrophobicContact CB-CD2 4.28Å; A1079-F1086 HydrophobicContact CB-CE1 3.78Å; A1079-F1086 HydrophobicContact CB-CE2 4.31Å; A1079-F1086 HydrophobicContact CB-CG 4.02Å; A1079-F1086 HydrophobicContact CB-CZ 4.07Å; F1082-F1086 HydrophobicContact CD1-CZ 4.05Å; S1084-F1086 PolarHBondContact O-N 2.65Å; F1086-V1096 HydrophobicContact CE1-CG2 4.21Å; F1086-V1096 HydrophobicContact CZ-CG2 4.19Å; F1086-R1098 HydrophobicContact CD1-CG 3.82Å; F1086-R1098 HydrophobicContact CE1-CB 4.13Å; F1086-R1098 HydrophobicContact CE1-CG 3.5Å; F1086-R1098 VanDerWaalsContact CE1-CG 3.5Å; F1086-R1098 VanDerWaalsContact CE2-CZ 3.44Å; F1086-R1098 HydrophobicContact CG-CG 4.48Å; F1086-R1098 VanDerWaalsContact CZ-CD 3.47Å; F1086-R1098 HydrophobicContact CZ-CG 3.92Å |
| 1087 | H | 78.6 | Confident | 81.4 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -143.1 | 162.2 | 179.3 | 45.8 | 82.1 | 0 | 0 | 0 | 112.3 | Y1078 K1085 K1089 R1091 D1094 | Y1078-H1087 PolarHBondContact N-O 3.42Å; Y1078-H1087 PolarHBondContact O-CD2 3.18Å; Y1078-H1087 PolarHBondContact O-N 2.88Å; K1085-H1087 PolarHBondContact O-CD2 3.46Å; H1087-K1089 PolarHBondContact CE1-O 2.86Å; H1087-K1089 PolarHBondContact ND1-O 3.03Å; H1087-R1091 PolarHBondContact CD2-NH1 2.94Å; H1087-R1091 VanDerWaalsContact CE1-CD 3.48Å; H1087-R1091 WeakPolarHBondContact CE1-CD 3.16Å; H1087-R1091 PolarHBondContact CE1-NE 3.05Å; H1087-R1091 VanDerWaalsContact NE2-CZ 3.3Å; H1087-R1091 PolarHBondContact NE2-NH1 2.97Å; H1087-D1094 IonicContact CE1-OD1 3.5Å; H1087-D1094 PolarHBondContact CE1-OD1 2.77Å; H1087-D1094 VanDerWaalsContact CE1-OD1 3.22Å; H1087-D1094 IonicContact CE1-OD2 3.74Å; H1087-D1094 PolarHBondContact CE1-OD2 2.86Å; H1087-D1094 IonicContact ND1-OD2 3.67Å; H1087-D1094 IonicContact NE2-OD1 2.74Å; H1087-D1094 PolarHBondContact NE2-OD1 2.79Å |
| 1088 | T | 75.6 | Confident | 81.6 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -79.2 | -27.6 | -172.3 | 46.3 | 0 | 0 | 0 | 0 | 115 | L933 L1065 | L933-T1088 HydrophobicContact CB-CG2 3.82Å; L933-T1088 WeakPolarHBondContact O-CG2 3.48Å; L1065-T1088 HydrophobicContact CD1-CG2 4.15Å; L1065-T1088 HydrophobicContact CG-CG2 4.46Å |
| 1089 | K | 77.9 | Confident | 81.7 | Confident | 123 Ų | 123 | 54.8 Ų | 54.8 | 54% | 0.535 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -101.2 | 129.1 | -179.2 | -68 | -173 | 177.7 | -171.5 | 0 | 111.1 | L1068 H1087 | L1068-K1089 WeakPolarHBondContact O-CE 3.41Å; L1068-K1089 VanDerWaalsContact O-CG 3.24Å; L1068-K1089 WeakPolarHBondContact O-CG 3.36Å; H1087-K1089 PolarHBondContact CE1-O 2.86Å; H1087-K1089 PolarHBondContact ND1-O 3.03Å |
| 1090 | E | 82 | Confident | 81.9 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | trans | -62.4 | 136.3 | 172.1 | -174.2 | 175.5 | -169.9 | 0 | 0 | 111 | W887 Y1078 | W887-E1090 HydrophobicContact CZ2-CG 4.17Å; W887-E1090 VanDerWaalsContact CZ2-OE1 3.31Å; W887-E1090 WeakPolarHBondContact CZ2-OE1 3.36Å; W887-E1090 PolarHBondContact NE1-OE1 2.96Å; Y1078-E1090 HydrophobicContact CD1-CB 3.79Å; Y1078-E1090 HydrophobicContact CD1-CG 3.85Å; Y1078-E1090 HydrophobicContact CD2-CB 4.23Å; Y1078-E1090 HydrophobicContact CE1-CB 3.69Å; Y1078-E1090 HydrophobicContact CE1-CG 3.82Å; Y1078-E1090 HydrophobicContact CE2-CB 4.15Å; Y1078-E1090 HydrophobicContact CG-CB 4.07Å | ||
| 1091 | R | 78 | Confident | 82.5 | Confident | 73 Ų | 73 | 52.4 Ų | 52.4 | 28% | 0.275 | 25% | 0.247 | S | C | . | . | trans | -121.2 | 154.8 | 174.6 | -56.4 | 174.9 | -175.7 | 158.2 | 3.9 | 108.5 | H1087 V1093 D1094 | H1087-R1091 PolarHBondContact CD2-NH1 2.94Å; H1087-R1091 VanDerWaalsContact CE1-CD 3.48Å; H1087-R1091 WeakPolarHBondContact CE1-CD 3.16Å; H1087-R1091 PolarHBondContact CE1-NE 3.05Å; H1087-R1091 VanDerWaalsContact NE2-CZ 3.3Å; H1087-R1091 PolarHBondContact NE2-NH1 2.97Å; R1091-V1093 HydrophobicContact CB-CG2 4.07Å; R1091-V1093 PolarHBondContact O-N 3.5Å; R1091-V1093 VanDerWaalsContact O-N 3.17Å; R1091-D1094 WeakPolarHBondContact CB-OD2 3.27Å; R1091-D1094 PolarHBondContact N-OD2 2.81Å; R1091-D1094 WeakPolarHBondContact O-CB 3.49Å; R1091-D1094 PolarHBondContact O-N 3.4Å | ||
| 1092 | K | 74.9 | Confident | 83 | Confident | 155 Ų | 155 | 50 Ų | 50 | 67% | 0.674 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.7 | 179.7 | -67.4 | 174 | -174.7 | 178.5 | 0 | 113.6 | E973 D1094 | E973-K1092 WeakPolarHBondContact OE1-CB 3.18Å; E973-K1092 VanDerWaalsContact OE1-CG 3.23Å; E973-K1092 WeakPolarHBondContact OE1-CG 3.46Å; E973-K1092 PolarHBondContact OE1-N 2.99Å; K1092-D1094 VanDerWaalsContact C-N 3.32Å |
| 1093 | V | 78.1 | Confident | 83.6 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -11.8 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | F1080 R1091 M1095 | F1080-V1093 HydrophobicContact CD2-CB 4.28Å; F1080-V1093 VanDerWaalsContact CD2-O 3.23Å; F1080-V1093 WeakPolarHBondContact CD2-O 3.48Å; R1091-V1093 HydrophobicContact CB-CG2 4.07Å; R1091-V1093 PolarHBondContact O-N 3.5Å; R1091-V1093 VanDerWaalsContact O-N 3.17Å; V1093-M1095 PolarHBondContact O-N 3.16Å |
| 1094 | D | 85 | Confident | 84.4 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | trans | -69.6 | 122.9 | -177.1 | -64.6 | -27.9 | 0 | 0 | 0 | 110.7 | W887 Y1078 A1079 F1080 H1087 R1091 K1092 | W887-D1094 HydrophobicContact CH2-CB 4.2Å; Y1078-D1094 WeakPolarHBondContact CB-OD2 3.32Å; A1079-D1094 WeakPolarHBondContact O-CA 3.42Å; F1080-D1094 PolarHBondContact N-OD1 3.49Å; H1087-D1094 IonicContact CE1-OD1 3.5Å; H1087-D1094 PolarHBondContact CE1-OD1 2.77Å; H1087-D1094 VanDerWaalsContact CE1-OD1 3.22Å; H1087-D1094 IonicContact CE1-OD2 3.74Å; H1087-D1094 PolarHBondContact CE1-OD2 2.86Å; H1087-D1094 IonicContact ND1-OD2 3.67Å; H1087-D1094 IonicContact NE2-OD1 2.74Å; H1087-D1094 PolarHBondContact NE2-OD1 2.79Å; R1091-D1094 WeakPolarHBondContact CB-OD2 3.27Å; R1091-D1094 PolarHBondContact N-OD2 2.81Å; R1091-D1094 WeakPolarHBondContact O-CB 3.49Å; R1091-D1094 PolarHBondContact O-N 3.4Å; K1092-D1094 VanDerWaalsContact C-N 3.32Å | ||
| 1095 | M | 87.1 | Confident | 85.1 | Confident | 102 Ų | 102 | 45.5 Ų | 45.5 | 50% | 0.502 | 21% | 0.205 | S | C | . | . | trans | -104.2 | -13.3 | 177.6 | -50 | -174.3 | 61.7 | 0 | 0 | 112 | A881 S882 A1079 F1080 V1093 | A881-M1095 CarbonylContact C-O 3.4Å; A881-M1095 WeakPolarHBondContact CA-O 3.47Å; S882-M1095 PolarHBondContact N-O 3.47Å; A1079-M1095 PolarHBondContact O-N 3.4Å; A1079-M1095 VanDerWaalsContact O-N 3.13Å; F1080-M1095 HydrophobicContact CE2-SD 4.21Å; F1080-M1095 HydrophobicContact CZ-SD 4.41Å; F1080-M1095 WeakPolarHBondContact O-CB 3.45Å; F1080-M1095 WeakPolarHBondContact O-CG 3.47Å; F1080-M1095 PolarHBondContact O-N 3.28Å; V1093-M1095 PolarHBondContact O-N 3.16Å | ||
| 1096 | V | 89 | Confident | 85.4 | Confident | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.2 | -178.4 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | Q880 W887 A1079 F1082 F1086 | Q880-V1096 WeakPolarHBondContact O-CA 3.46Å; W887-V1096 VanDerWaalsContact CZ3-C 3.47Å; A1079-V1096 HydrophobicContact CB-CG2 4.04Å; A1079-V1096 PolarHBondContact N-O 2.74Å; A1079-V1096 WeakPolarHBondContact O-CG2 3.44Å; A1079-V1096 PolarHBondContact O-N 3.23Å; A1079-V1096 VanDerWaalsContact O-N 3.09Å; A1079-V1096 VanDerWaalsContact O-O 3.1Å; F1082-V1096 HydrophobicContact CD2-CB 4.13Å; F1082-V1096 HydrophobicContact CD2-CG1 3.65Å; F1082-V1096 HydrophobicContact CD2-CG2 4.25Å; F1082-V1096 HydrophobicContact CE1-CB 4.46Å; F1082-V1096 HydrophobicContact CE2-CB 3.79Å; F1082-V1096 HydrophobicContact CE2-CG1 3.41Å; F1082-V1096 VanDerWaalsContact CE2-CG1 3.41Å; F1082-V1096 HydrophobicContact CE2-CG2 4.36Å; F1082-V1096 HydrophobicContact CG-CG2 4.32Å; F1082-V1096 HydrophobicContact CZ-CB 3.94Å; F1082-V1096 HydrophobicContact CZ-CG1 4.08Å; F1086-V1096 HydrophobicContact CE1-CG2 4.21Å; F1086-V1096 HydrophobicContact CZ-CG2 4.19Å |
| 1097 | R | 91.3 | Very high | 85.1 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.1 | 166.4 | 70 | 179.9 | -174.5 | 172.5 | 1.7 | 110.6 | Q880 W887 E1071 W1076 E1077 Y1078 | Q880-R1097 HydrophobicContact CB-CG 3.87Å; Q880-R1097 PolarHBondContact N-O 2.92Å; Q880-R1097 PolarHBondContact O-N 3.15Å; W887-R1097 VanDerWaalsContact CD1-CZ 3.48Å; W887-R1097 VanDerWaalsContact CD2-CD 3.49Å; W887-R1097 HydrophobicContact CD2-CG 3.88Å; W887-R1097 HydrophobicContact CE3-CB 4.24Å; W887-R1097 HydrophobicContact CE3-CG 3.58Å; W887-R1097 HydrophobicContact CG-CG 4.49Å; W887-R1097 VanDerWaalsContact CG-CZ 3.45Å; W887-R1097 VanDerWaalsContact CG-NE 3.29Å; W887-R1097 HydrophobicContact CH2-CB 4.14Å; W887-R1097 HydrophobicContact CH2-CG 4.33Å; W887-R1097 HydrophobicContact CZ3-CB 3.97Å; W887-R1097 HydrophobicContact CZ3-CG 3.83Å; E1071-R1097 IonicContact OE2-NH1 2.76Å; E1071-R1097 PolarHBondContact OE2-NH1 3.14Å; W1076-R1097 HydrophobicContact CD2-CG 4.08Å; W1076-R1097 HydrophobicContact CE3-CB 4.1Å; W1076-R1097 HydrophobicContact CE3-CG 3.58Å; W1076-R1097 HydrophobicContact CZ3-CG 4Å; E1077-R1097 CarbonylContact O-C 3.58Å; E1077-R1097 WeakPolarHBondContact O-CA 3.42Å; E1077-R1097 WeakPolarHBondContact O-CB 3.44Å; Y1078-R1097 HydrophobicContact CD1-CB 3.69Å; Y1078-R1097 HydrophobicContact CE1-CB 3.94Å; Y1078-R1097 HydrophobicContact CE1-CG 4.4Å; Y1078-R1097 HydrophobicContact CG-CB 4.29Å |
| 1098 | R | 91.6 | Very high | 85 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 163.5 | 175.9 | 75.1 | -177.3 | -175.7 | -175.1 | -2.7 | 112.4 | Y877 E878 N879 W1076 E1077 F1086 | Y877-R1098 HydrophobicContact CD1-CG 4.22Å; E878-R1098 CarbonylContact O-C 3.56Å; E878-R1098 WeakPolarHBondContact O-CA 3.3Å; N879-R1098 VanDerWaalsContact OD1-CB 3.29Å; N879-R1098 WeakPolarHBondContact OD1-CB 3.43Å; W1076-R1098 VanDerWaalsContact CE3-C 3.48Å; E1077-R1098 HydrophobicContact CB-CG 4.09Å; E1077-R1098 WeakPolarHBondContact CB-O 3.45Å; E1077-R1098 PolarHBondContact N-O 3.04Å; E1077-R1098 PolarHBondContact O-N 3.15Å; E1077-R1098 IonicContact OE2-CZ 2.74Å; E1077-R1098 IonicContact OE2-NE 3.98Å; E1077-R1098 PolarHBondContact OE2-NE 2.84Å; E1077-R1098 IonicContact OE2-NH2 2.77Å; E1077-R1098 PolarHBondContact OE2-NH2 3.39Å; F1086-R1098 HydrophobicContact CD1-CG 3.82Å; F1086-R1098 HydrophobicContact CE1-CB 4.13Å; F1086-R1098 HydrophobicContact CE1-CG 3.5Å; F1086-R1098 VanDerWaalsContact CE1-CG 3.5Å; F1086-R1098 VanDerWaalsContact CE2-CZ 3.44Å; F1086-R1098 HydrophobicContact CG-CG 4.48Å; F1086-R1098 VanDerWaalsContact CZ-CD 3.47Å; F1086-R1098 HydrophobicContact CZ-CG 3.92Å |
| 1099 | R | 89.8 | Confident | 84.6 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 128.3 | 175 | 177.7 | 164.1 | 65.9 | -170.1 | -3.8 | 110.8 | Y877 E878 V927 E1074 W1076 W1101 | Y877-R1099 CarbonylContact C-O 3.6Å; Y877-R1099 VanDerWaalsContact CA-O 3.3Å; Y877-R1099 WeakPolarHBondContact CA-O 3.13Å; E878-R1099 HydrophobicContact CB-CB 4.36Å; E878-R1099 PolarHBondContact N-O 2.73Å; E878-R1099 PolarHBondContact O-N 2.99Å; E878-R1099 IonicContact OE1-NH2 2.96Å; E878-R1099 PolarHBondContact OE1-NH2 3.13Å; E878-R1099 IonicContact OE2-CZ 2.7Å; E878-R1099 VanDerWaalsContact OE2-CZ 3.28Å; E878-R1099 IonicContact OE2-NE 3.06Å; E878-R1099 PolarHBondContact OE2-NE 2.81Å; E878-R1099 IonicContact OE2-NH2 3.62Å; E878-R1099 PolarHBondContact OE2-NH2 2.9Å; V927-R1099 HydrophobicContact CG1-CG 3.78Å; V927-R1099 HydrophobicContact CG2-CG 4.15Å; E1074-R1099 WeakPolarHBondContact O-CD 3.4Å; E1074-R1099 PolarHBondContact O-NH1 3.24Å; E1074-R1099 IonicContact OE2-NH1 3.76Å; W1076-R1099 HydrophobicContact CD2-CB 4.33Å; W1076-R1099 HydrophobicContact CE3-CB 3.83Å; W1076-R1099 HydrophobicContact CH2-CB 4.42Å; W1076-R1099 HydrophobicContact CZ3-CB 3.89Å; R1099-W1101 VanDerWaalsContact O-CD1 3.27Å |
| 1100 | R | 91.3 | Very high | 83.8 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123 | -177.5 | -167.1 | 170 | 77.1 | 173.6 | 1.4 | 112.1 | E875 Y877 V927 S928 P929 | E875-R1100 HydrophobicContact CG-CG 4.26Å; E875-R1100 WeakPolarHBondContact OE2-CD 3.34Å; E875-R1100 IonicContact OE2-NE 2.69Å; Y877-R1100 HydrophobicContact CD1-CB 3.94Å; Y877-R1100 HydrophobicContact CD1-CG 4.15Å; Y877-R1100 HydrophobicContact CE1-CB 3.61Å; Y877-R1100 HydrophobicContact CE1-CG 3.55Å; Y877-R1100 HydrophobicContact CE2-CG 4.15Å; Y877-R1100 VanDerWaalsContact CZ-CD 3.4Å; Y877-R1100 WeakPolarHBondContact OH-CD 3.04Å; V927-R1100 WeakPolarHBondContact CA-O 3.48Å; S928-R1100 PolarHBondContact N-O 2.94Å; S928-R1100 PolarHBondContact O-NE 2.97Å; S928-R1100 PolarHBondContact O-NH2 2.88Å; P929-R1100 PolarHBondContact O-NH2 2.69Å |
| 1101 | W | 91.6 | Very high | 82.5 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 13% | 0.129 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.2 | -179.2 | -69.4 | 89.7 | 0 | 0 | 0 | 110.8 | E875 T876 E878 W899 K910 W925 Y926 V927 R1099 | E875-W1101 WeakPolarHBondContact CA-O 3.44Å; T876-W1101 HydrophobicContact CG2-CB 3.95Å; T876-W1101 PolarHBondContact N-O 2.63Å; T876-W1101 PolarHBondContact O-N 3.21Å; E878-W1101 PolarHBondContact OE2-NE1 2.88Å; W899-W1101 AromaticContact CH2-CD1 3.85Å; W899-W1101 AromaticContact CH2-CE2 3.99Å; W899-W1101 HydrophobicContact CH2-CG 4.41Å; W899-W1101 AromaticContact CH2-NE1 3.52Å; W899-W1101 AromaticContact CZ3-CD1 3.46Å; W899-W1101 VanDerWaalsContact CZ3-CD1 3.46Å; W899-W1101 AromaticContact CZ3-CG 3.99Å; W899-W1101 HydrophobicContact CZ3-CG 3.99Å; W899-W1101 AromaticContact CZ3-NE1 3.66Å; K910-W1101 HydrophobicContact CD-CD2 4.4Å; K910-W1101 HydrophobicContact CD-CG 4.47Å; W925-W1101 HydrophobicContact CB-CE3 3.98Å; W925-W1101 HydrophobicContact CB-CZ3 4.36Å; W925-W1101 HydrophobicContact CE3-CB 3.89Å; W925-W1101 HydrophobicContact CZ3-CB 4.28Å; Y926-W1101 WeakPolarHBondContact O-CA 3.29Å; V927-W1101 HydrophobicContact CG2-CD2 4.1Å; V927-W1101 HydrophobicContact CG2-CE3 3.99Å; V927-W1101 HydrophobicContact CG2-CH2 3.81Å; V927-W1101 HydrophobicContact CG2-CZ2 3.91Å; V927-W1101 HydrophobicContact CG2-CZ3 3.85Å; R1099-W1101 VanDerWaalsContact O-CD1 3.27Å |
| 1102 | H | 91.2 | Very high | 81.2 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 150.2 | 175.1 | -74.2 | 178.6 | 0 | 0 | 0 | 111.1 | A874 E875 W925 Y926 S928 | A874-H1102 CarbonylContact O-C 3.57Å; A874-H1102 VanDerWaalsContact O-CA 3.27Å; A874-H1102 WeakPolarHBondContact O-CA 3.22Å; E875-H1102 IonicContact OE2-CD2 2.78Å; E875-H1102 IonicContact OE2-CE1 3.16Å; E875-H1102 IonicContact OE2-NE2 3.05Å; E875-H1102 PolarHBondContact OE2-NE2 3.06Å; W925-H1102 WeakPolarHBondContact CA-O 3.24Å; W925-H1102 VanDerWaalsContact CE3-C 3.49Å; Y926-H1102 WeakPolarHBondContact CD1-O 3.32Å; Y926-H1102 HydrophobicContact CD2-CB 4.1Å; Y926-H1102 HydrophobicContact CE1-CB 4.27Å; Y926-H1102 HydrophobicContact CE2-CB 3.59Å; Y926-H1102 PolarHBondContact N-O 2.84Å; Y926-H1102 PolarHBondContact O-N 2.9Å; S928-H1102 VanDerWaalsContact CB-ND1 3.32Å; S928-H1102 WeakPolarHBondContact CB-ND1 3.34Å; S928-H1102 PolarHBondContact OG-ND1 3.15Å; S928-H1102 VanDerWaalsContact OG-ND1 3.08Å |
| 1103 | R | 92.4 | Very high | 80.1 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 128.5 | 166.5 | -170.2 | 176.6 | -171.7 | 166.7 | 13.8 | 110.1 | V873 A874 W921 G923 D924 W925 | V873-R1103 CarbonylContact C-O 3.57Å; V873-R1103 WeakPolarHBondContact CA-O 3.23Å; A874-R1103 PolarHBondContact N-O 3.12Å; A874-R1103 PolarHBondContact O-N 3.29Å; W921-R1103 HydrophobicContact CD2-CG 4.32Å; W921-R1103 HydrophobicContact CE3-CB 4.14Å; W921-R1103 VanDerWaalsContact CE3-CD 3.4Å; W921-R1103 HydrophobicContact CE3-CG 3.56Å; W921-R1103 HydrophobicContact CZ3-CB 3.89Å; W921-R1103 HydrophobicContact CZ3-CG 3.84Å; G923-R1103 PolarHBondContact O-NE 3.1Å; G923-R1103 PolarHBondContact O-NH2 2.8Å; D924-R1103 IonicContact OD1-CZ 3.81Å; D924-R1103 IonicContact OD1-NH2 3Å; D924-R1103 PolarHBondContact OD1-NH2 2.8Å; W925-R1103 HydrophobicContact CD2-CB 3.62Å; W925-R1103 HydrophobicContact CD2-CG 4.41Å; W925-R1103 HydrophobicContact CE3-CB 3.64Å; W925-R1103 HydrophobicContact CG-CB 4.11Å; W925-R1103 HydrophobicContact CG-CG 4.49Å; W925-R1103 HydrophobicContact CH2-CB 4.25Å; W925-R1103 HydrophobicContact CZ2-CB 4.23Å; W925-R1103 HydrophobicContact CZ3-CB 3.96Å |
| 1104 | A | 90.1 | Very high | 78.8 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 149.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V873 V922 | V873-A1104 HydrophobicContact CG1-CB 4.32Å; V922-A1104 HydrophobicContact CB-CB 4.15Å; V922-A1104 PolarHBondContact N-O 3.48Å |
| 1105 | L | 89.3 | Confident | 77.6 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.1 | 178.5 | -53.5 | 122 | 0 | 0 | 0 | 109.5 | V872 A874 L915 W919 E920 W921 L1119 P1143 | V872-L1105 HydrophobicContact CG1-CD1 3.95Å; V872-L1105 PolarHBondContact O-N 3.27Å; A874-L1105 HydrophobicContact CB-CD1 4.1Å; A874-L1105 VanDerWaalsContact N-CD1 3.27Å; L915-L1105 HydrophobicContact CD1-CD2 4.4Å; L915-L1105 HydrophobicContact CD2-CD2 3.05Å; L915-L1105 HydrophobicContact CG-CD2 4.32Å; W919-L1105 HydrophobicContact CE3-CB 3.88Å; W919-L1105 HydrophobicContact CZ3-CB 4.16Å; E920-L1105 WeakPolarHBondContact O-CA 3.43Å; W921-L1105 HydrophobicContact CD2-CD2 4.36Å; W921-L1105 HydrophobicContact CE3-CD2 3.64Å; W921-L1105 HydrophobicContact CE3-CG 3.83Å; W921-L1105 HydrophobicContact CH2-CD2 3.85Å; W921-L1105 HydrophobicContact CH2-CG 4.46Å; W921-L1105 HydrophobicContact CZ3-CD1 4.18Å; W921-L1105 HydrophobicContact CZ3-CD2 3.36Å; W921-L1105 HydrophobicContact CZ3-CG 3.58Å; L1105-L1119 HydrophobicContact CD2-CD2 3.99Å; L1105-P1143 HydrophobicContact CD1-CB 4.19Å |
| 1106 | A | 84.5 | Confident | 76.5 | Confident | 28 Ų | 28 | 49 Ų | 49 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 150.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | W919 E920 V922 | W919-A1106 WeakPolarHBondContact CA-O 3.29Å; W919-A1106 VanDerWaalsContact CE3-C 3.46Å; E920-A1106 PolarHBondContact N-O 2.89Å; E920-A1106 PolarHBondContact O-N 2.88Å; V922-A1106 HydrophobicContact CG2-CB 3.54Å |
| 1107 | P | 78.7 | Confident | 75.6 | Confident | 32 Ų | 32 | 49 Ų | 49 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 138.6 | 168.8 | 31.1 | -37.6 | 0 | 0 | 0 | 110 | G918 E1113 | G918-P1107 CarbonylContact O-C 3.57Å; G918-P1107 WeakPolarHBondContact O-CA 3.34Å; P1107-E1113 HydrophobicContact CB-CG 3.8Å; P1107-E1113 HydrophobicContact CG-CG 3.52Å |
| 1108 | K | 76.3 | Confident | 75 | Confident | 131 Ų | 131 | 48.9 Ų | 48.9 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -66.7 | -36 | 179.4 | -73.3 | -178.3 | 175.5 | -179.8 | 0 | 113 | G918 W919 E920 | G918-K1108 WeakPolarHBondContact O-CB 3.39Å; G918-K1108 PolarHBondContact O-N 2.95Å; W919-K1108 VanDerWaalsContact O-CE 3.31Å; W919-K1108 WeakPolarHBondContact O-CE 3.42Å; E920-K1108 HydrophobicContact CB-CG 3.9Å; E920-K1108 HydrophobicContact CG-CG 3.96Å |
| 1109 | E | 67.1 | Low | 74.5 | Confident | 122 Ų | 122 | 47.3 Ų | 47.3 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -130.1 | 146.8 | 174.7 | -64.4 | -179.6 | 177.4 | 0 | 0 | 108.1 | S1111 S1112 | E1109-S1111 VanDerWaalsContact CB-OG 3.28Å; E1109-S1111 WeakPolarHBondContact CB-OG 3.44Å; E1109-S1111 PolarHBondContact O-N 2.74Å; E1109-S1111 PolarHBondContact OE2-OG 2.83Å; E1109-S1112 WeakPolarHBondContact O-CA 3.4Å; E1109-S1112 VanDerWaalsContact O-CB 3.31Å; E1109-S1112 WeakPolarHBondContact O-CB 3.36Å; E1109-S1112 PolarHBondContact O-N 2.96Å |
| 1110 | L | 59.8 | Low | 74 | Confident | 146 Ų | 146 | 51 Ų | 51 | 76% | 0.764 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -58.1 | -29.9 | 174.7 | -77.5 | 100.9 | 0 | 0 | 0 | 112 | S1112 E1113 | L1110-S1112 VanDerWaalsContact C-N 3.34Å; L1110-E1113 WeakPolarHBondContact O-CB 3.45Å; L1110-E1113 WeakPolarHBondContact O-CG 3.45Å; L1110-E1113 PolarHBondContact O-N 2.84Å |
| 1111 | S | 55.2 | Low | 73.3 | Confident | 73 Ų | 73 | 51 Ų | 51 | 51% | 0.51 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -65.1 | -35.6 | 171.7 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | E1109 E1113 T1114 | E1109-S1111 VanDerWaalsContact CB-OG 3.28Å; E1109-S1111 WeakPolarHBondContact CB-OG 3.44Å; E1109-S1111 PolarHBondContact O-N 2.74Å; E1109-S1111 PolarHBondContact OE2-OG 2.83Å; S1111-E1113 PolarHBondContact O-N 3.02Å; S1111-T1114 PolarHBondContact O-N 3.31Å; S1111-T1114 PolarHBondContact O-OG1 3.03Å |
| 1112 | S | 50.8 | Low | 72.4 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -73.1 | -7.6 | -177.5 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | E1109 L1110 T1114 S1115 | E1109-S1112 WeakPolarHBondContact O-CA 3.4Å; E1109-S1112 VanDerWaalsContact O-CB 3.31Å; E1109-S1112 WeakPolarHBondContact O-CB 3.36Å; E1109-S1112 PolarHBondContact O-N 2.96Å; L1110-S1112 VanDerWaalsContact C-N 3.34Å; S1112-T1114 PolarHBondContact O-N 2.91Å; S1112-S1115 WeakPolarHBondContact O-CB 3.3Å; S1112-S1115 PolarHBondContact O-N 2.92Å; S1112-S1115 PolarHBondContact O-OG 3.14Å; S1112-S1115 VanDerWaalsContact O-OG 3.1Å |
| 1113 | E | 51.9 | Low | 70.7 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -52.7 | -22.8 | 169.4 | -78.3 | 178 | -173.6 | 0 | 0 | 112.2 | R858 P1107 L1110 S1111 S1115 | R858-E1113 PolarHBondContact NH1-O 3.13Å; P1107-E1113 HydrophobicContact CB-CG 3.8Å; P1107-E1113 HydrophobicContact CG-CG 3.52Å; L1110-E1113 WeakPolarHBondContact O-CB 3.45Å; L1110-E1113 WeakPolarHBondContact O-CG 3.45Å; L1110-E1113 PolarHBondContact O-N 2.84Å; S1111-E1113 PolarHBondContact O-N 3.02Å; E1113-S1115 PolarHBondContact O-N 3.09Å |
| 1114 | T | 51.2 | Low | 68.6 | Low | 79 Ų | 79 | 63 Ų | 63 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -67.9 | -11.2 | 175.6 | 41.2 | 0 | 0 | 0 | 0 | 114.3 | R858 S1111 S1112 | R858-T1114 VanDerWaalsContact NH2-CG2 3.34Å; S1111-T1114 PolarHBondContact O-N 3.31Å; S1111-T1114 PolarHBondContact O-OG1 3.03Å; S1112-T1114 PolarHBondContact O-N 2.91Å |
| 1115 | S | 58.5 | Low | 66.5 | Low | 38 Ų | 38 | 67 Ų | 67 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -81.7 | 131.9 | 179.9 | -51 | 0 | 0 | 0 | 0 | 110.4 | T917 W919 S1112 E1113 C1117 | T917-S1115 WeakPolarHBondContact O-CB 3.26Å; T917-S1115 PolarHBondContact O-OG 2.99Å; W919-S1115 PolarHBondContact NE1-O 2.73Å; W919-S1115 VanDerWaalsContact NE1-O 3.11Å; S1112-S1115 WeakPolarHBondContact O-CB 3.3Å; S1112-S1115 PolarHBondContact O-N 2.92Å; S1112-S1115 PolarHBondContact O-OG 3.14Å; S1112-S1115 VanDerWaalsContact O-OG 3.1Å; E1113-S1115 PolarHBondContact O-N 3.09Å; S1115-C1117 PolarHBondContact O-N 2.89Å |
| 1116 | S | 65.5 | Low | 63.9 | Low | 60 Ų | 60 | 75.7 Ų | 75.7 | 42% | 0.42 | 41% | 0.414 | S | S | . | . | trans | -45.4 | 135.8 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | P916 V1118 | P916-S1116 VanDerWaalsContact CB-O 3.31Å; P916-S1116 WeakPolarHBondContact CB-O 3.43Å; P916-S1116 WeakPolarHBondContact CG-O 3.47Å; S1116-V1118 VanDerWaalsContact C-N 3.26Å; S1116-V1118 PolarHBondContact O-N 3.47Å; S1116-V1118 VanDerWaalsContact OG-CG2 3.27Å; S1116-V1118 WeakPolarHBondContact OG-CG2 3.42Å; S1116-V1118 PolarHBondContact OG-N 3.27Å | ||
| 1117 | C | 69.8 | Low | 61.3 | Low | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.061 | 44% | 0.439 | C | S | . | . | trans | -85.9 | 4.6 | 177.5 | 69.9 | 0 | 0 | 0 | 0 | 113.3 | M650 W919 S1115 L1119 P1143 | M650-C1117 WeakPolarHBondContact CE-SG 3.34Å; W919-C1117 HydrophobicContact CH2-CB 4.27Å; W919-C1117 HydrophobicContact CZ2-CB 3.82Å; S1115-C1117 PolarHBondContact O-N 2.89Å; C1117-L1119 PolarHBondContact O-N 3.02Å; C1117-P1143 HydrophobicContact CB-CG 4.05Å; C1117-P1143 VanDerWaalsContact O-CD 3.25Å; C1117-P1143 WeakPolarHBondContact O-CD 3.3Å | ||
| 1118 | V | 78.6 | Confident | 59.2 | Low | 16 Ų | 16 | 86.3 Ų | 86.3 | 10% | 0.097 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 128.9 | 177.8 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | T619 P620 P916 S1116 L1140 V1142 | T619-V1118 HydrophobicContact CG2-CG2 4.32Å; P620-V1118 WeakPolarHBondContact O-CG2 3.34Å; P916-V1118 WeakPolarHBondContact CG-O 3.32Å; S1116-V1118 VanDerWaalsContact C-N 3.26Å; S1116-V1118 PolarHBondContact O-N 3.47Å; S1116-V1118 VanDerWaalsContact OG-CG2 3.27Å; S1116-V1118 WeakPolarHBondContact OG-CG2 3.42Å; S1116-V1118 PolarHBondContact OG-N 3.27Å; V1118-L1140 HydrophobicContact CG1-CB 4Å; V1118-L1140 HydrophobicContact CG1-CD1 4.25Å; V1118-L1140 HydrophobicContact CG1-CD2 4.05Å; V1118-L1140 HydrophobicContact CG1-CG 4.31Å; V1118-V1142 HydrophobicContact CG2-CG1 4.36Å |
| 1119 | L | 81.4 | Confident | 56.9 | Low | 3 Ų | 3 | 88.3 Ų | 88.3 | 2% | 0.016 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.1 | -175.7 | -52 | 172.3 | 0 | 0 | 0 | 110.1 | A874 I913 L915 L1105 C1117 L1140 T1141 P1143 | A874-L1119 HydrophobicContact CB-CD1 3.91Å; I913-L1119 HydrophobicContact CG2-CB 3.98Å; I913-L1119 HydrophobicContact CG2-CD1 3.86Å; I913-L1119 HydrophobicContact CG2-CG 4.33Å; L915-L1119 HydrophobicContact CD2-CD2 3.98Å; L1105-L1119 HydrophobicContact CD2-CD2 3.99Å; C1117-L1119 PolarHBondContact O-N 3.02Å; L1119-L1140 CarbonylContact O-C 3.57Å; L1119-L1140 WeakPolarHBondContact O-CA 3.3Å; L1119-T1141 HydrophobicContact CB-CG2 3.75Å; L1119-T1141 HydrophobicContact CD1-CG2 4.21Å; L1119-T1141 PolarHBondContact N-O 3.45Å; L1119-T1141 PolarHBondContact O-N 3.14Å; L1119-P1143 HydrophobicContact CD1-CB 4.36Å |
| 1120 | Q | 78.9 | Confident | 55 | Low | 108 Ų | 108 | 86.3 Ų | 86.3 | 51% | 0.505 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 146.3 | 174.7 | -76.2 | 178.4 | -7.8 | 0 | 0 | 110.8 | I913 Q914 N1139 L1140 | I913-Q1120 CarbonylContact C-O 3.47Å; Q914-Q1120 HydrophobicContact CB-CB 4.18Å; Q914-Q1120 PolarHBondContact N-O 3.39Å; Q914-Q1120 PolarHBondContact O-N 3.11Å; Q1120-N1139 CarbonylContact C-O 3.52Å; Q1120-L1140 HydrophobicContact CG-CD2 3.61Å |
| 1121 | I | 76.7 | Confident | 53.4 | Low | 18 Ų | 18 | 84.1 Ų | 84.1 | 9% | 0.092 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.2 | 177.9 | -42.6 | 160.7 | 0 | 0 | 0 | 108.7 | L908 S912 S1123 N1139 T1141 | L908-I1121 HydrophobicContact CD1-CD1 3.38Å; L908-I1121 HydrophobicContact CD1-CG1 3.59Å; L908-I1121 HydrophobicContact CD1-CG2 4.28Å; S912-I1121 CarbonylContact O-C 3.55Å; S912-I1121 WeakPolarHBondContact O-CA 3.47Å; I1121-S1123 PolarHBondContact O-N 3.47Å; I1121-N1139 HydrophobicContact CB-CB 4.03Å; I1121-N1139 PolarHBondContact N-O 2.86Å; I1121-N1139 WeakPolarHBondContact O-CB 3.43Å; I1121-N1139 PolarHBondContact O-ND2 3Å; I1121-T1141 HydrophobicContact CD1-CG2 4.29Å; I1121-T1141 HydrophobicContact CG1-CG2 4.06Å |
| 1122 | R | 73.4 | Confident | 52.1 | Low | 148 Ų | 148 | 88.4 Ų | 88.4 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | trans | -61.7 | 120.8 | 173.7 | -74.8 | 176.3 | 174.5 | 171.7 | -1.8 | 110.5 | S912 Q914 | S912-R1122 PolarHBondContact O-N 3.05Å; Q914-R1122 VanDerWaalsContact CD-CG 3.48Å; Q914-R1122 VanDerWaalsContact CD-NE 3.3Å; Q914-R1122 HydrophobicContact CG-CG 3.76Å | ||
| 1123 | S | 55.1 | Low | 51.1 | Low | 75 Ų | 75 | 97.2 Ų | 97.2 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | trans | -71.7 | 122.4 | 167.6 | 145.4 | 0 | 0 | 0 | 0 | 109.9 | I1121 | I1121-S1123 PolarHBondContact O-N 3.47Š| ||
| 1124 | S | 48.7 | Very low | 50.2 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 78% | 0.776 | 55% | 0.545 | S | S | * | . | trans | -94.2 | -3.5 | 171.3 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | K1126 | S1124-K1126 PolarHBondContact O-N 3.33Š| ||
| 1125 | S | 44.2 | Very low | 49.3 | Very low | 97 Ų | 97 | 106.4 Ų | 106.4 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | trans | -77.1 | 107.3 | -178.4 | 22.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1126 | K | 36.3 | Very low | 48.2 | Very low | 196 Ų | 196 | 114 Ų | 114 | 85% | 0.852 | 59% | 0.591 | S | S | * | * | trans | -51.6 | 136.5 | 163 | -70.8 | 176.5 | 176.3 | 177.1 | 0 | 110 | S1124 V1128 | S1124-K1126 PolarHBondContact O-N 3.33Å; K1126-V1128 PolarHBondContact O-N 3.46Å | ||
| 1127 | Q | 30.1 | Very low | 47.2 | Very low | 161 Ų | 161 | 117.9 Ų | 117.9 | 75% | 0.752 | 60% | 0.6 | S | S | * | * | trans | -31.1 | 112.1 | 172.5 | -65.4 | 171.7 | -54.9 | 0 | 0 | 113.5 | ||||
| 1128 | V | 33.7 | Very low | 46.3 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | trans | -102.8 | 97.4 | 149.7 | 178.8 | 0 | 0 | 0 | 0 | 104.6 | K1126 S1130 | K1126-V1128 PolarHBondContact O-N 3.46Å; V1128-S1130 WeakPolarHBondContact CG1-OG 2.9Å; V1128-S1130 PolarHBondContact O-N 2.98Å | ||
| 1129 | E | 29.1 | Very low | 45.9 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | trans | -77.4 | 23.9 | -171 | -126 | 172.8 | -160.7 | 0 | 0 | 113.4 | ||||
| 1130 | S | 25.6 | Very low | 45.6 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 56% | 0.559 | 66% | 0.655 | S | S | * | * | trans | -114.1 | 129.8 | -176.7 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | V1128 | V1128-S1130 WeakPolarHBondContact CG1-OG 2.9Å; V1128-S1130 PolarHBondContact O-N 2.98Å | ||
| 1131 | S | 26.6 | Very low | 45.7 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 71.2 | 107.5 | 161.8 | 49.6 | 0 | 0 | 0 | 0 | 118 | ||
| 1132 | L | 28.9 | Very low | 46.1 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 85% | 0.848 | 65% | 0.647 | S | S | * | * | trans | 82.3 | 130 | 144.4 | -58 | 164.2 | 0 | 0 | 0 | 116.8 | L1134 | L1132-L1134 PolarHBondContact O-N 3.33Š| ||
| 1133 | K | 28.5 | Very low | 46.9 | Very low | 209 Ų | 209 | 119.6 Ų | 119.6 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | trans | -68.7 | 53.3 | -172.7 | -62 | 171.1 | 175.2 | 172.4 | 0 | 112.7 | K1135 | K1133-K1135 VanDerWaalsContact C-N 3.33Å; K1133-K1135 PolarHBondContact O-N 3.39Å | ||
| 1134 | L | 33.1 | Very low | 48.5 | Very low | 153 Ų | 153 | 117.1 Ų | 117.1 | 80% | 0.801 | 60% | 0.6 | S | S | * | * | trans | -63.4 | 103.2 | 160.7 | -95.7 | 119.8 | 0 | 0 | 0 | 106.7 | L1132 K1136 | L1132-L1134 PolarHBondContact O-N 3.33Å; L1134-K1136 PolarHBondContact O-N 2.72Å; L1134-K1136 VanDerWaalsContact O-N 3.16Å | ||
| 1135 | K | 33.4 | Very low | 50.6 | Low | 195 Ų | 195 | 112.2 Ų | 112.2 | 85% | 0.848 | 57% | 0.565 | S | S | * | * | trans | -39.7 | 124.6 | 170.9 | -72.6 | 174.8 | 176.4 | 173 | 0 | 107.2 | K1133 K1137 | K1133-K1135 VanDerWaalsContact C-N 3.33Å; K1133-K1135 PolarHBondContact O-N 3.39Å; K1135-K1137 PolarHBondContact O-N 3.26Å | ||
| 1136 | K | 34.3 | Very low | 52.8 | Low | 198 Ų | 198 | 108.6 Ų | 108.6 | 86% | 0.861 | 54% | 0.537 | S | S | * | . | trans | -34.9 | 101.8 | 175.8 | -69.2 | 174.5 | 178.4 | 176.9 | 0 | 108.8 | L1134 E1138 | L1134-K1136 PolarHBondContact O-N 2.72Å; L1134-K1136 VanDerWaalsContact O-N 3.16Å; K1136-E1138 PolarHBondContact O-N 3.02Å | ||
| 1137 | K | 44.5 | Very low | 55.2 | Low | 141 Ų | 141 | 99.4 Ų | 99.4 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | trans | -58.9 | 103.3 | 163 | -100.6 | -173.9 | 171.1 | -172.9 | 0 | 103.3 | E616 K1135 N1139 | E616-K1137 IonicContact OE1-NZ 2.67Å; E616-K1137 PolarHBondContact OE1-NZ 2.95Å; E616-K1137 VanDerWaalsContact OE2-CE 3.29Å; E616-K1137 WeakPolarHBondContact OE2-CE 3.44Å; E616-K1137 IonicContact OE2-NZ 2.77Å; E616-K1137 PolarHBondContact OE2-NZ 2.78Å; E616-K1137 VanDerWaalsContact OE2-NZ 3.16Å; K1135-K1137 PolarHBondContact O-N 3.26Å; K1137-N1139 PolarHBondContact O-N 3.03Å | ||
| 1138 | E | 51.2 | Low | 57.9 | Low | 146 Ų | 146 | 96.6 Ų | 96.6 | 68% | 0.682 | 48% | 0.48 | S | S | * | . | trans | -58.8 | 117.9 | 173.3 | -67.5 | -169.3 | 161 | 0 | 0 | 105.3 | K1136 L1140 | K1136-E1138 PolarHBondContact O-N 3.02Å; E1138-L1140 HydrophobicContact CB-CD1 3.87Å; E1138-L1140 HydrophobicContact CB-CD2 4.39Å; E1138-L1140 HydrophobicContact CB-CG 3.76Å; E1138-L1140 PolarHBondContact O-N 2.83Å | ||
| 1139 | N | 69.2 | Low | 60.2 | Low | 77 Ų | 77 | 91.7 Ų | 91.7 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | trans | -66.6 | 74.8 | -179.5 | -90.4 | 0.9 | 0 | 0 | 0 | 108.8 | Q1120 I1121 K1137 | Q1120-N1139 CarbonylContact C-O 3.52Å; I1121-N1139 HydrophobicContact CB-CB 4.03Å; I1121-N1139 PolarHBondContact N-O 2.86Å; I1121-N1139 WeakPolarHBondContact O-CB 3.43Å; I1121-N1139 PolarHBondContact O-ND2 3Å; K1137-N1139 PolarHBondContact O-N 3.03Å | ||
| 1140 | L | 76.3 | Confident | 62.2 | Low | 42 Ų | 42 | 92.6 Ų | 92.6 | 22% | 0.22 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.8 | -175.2 | -60.5 | 175.7 | 0 | 0 | 0 | 110.4 | P620 V1118 L1119 Q1120 E1138 | P620-L1140 HydrophobicContact CG-CB 4.42Å; V1118-L1140 HydrophobicContact CG1-CB 4Å; V1118-L1140 HydrophobicContact CG1-CD1 4.25Å; V1118-L1140 HydrophobicContact CG1-CD2 4.05Å; V1118-L1140 HydrophobicContact CG1-CG 4.31Å; L1119-L1140 CarbonylContact O-C 3.57Å; L1119-L1140 WeakPolarHBondContact O-CA 3.3Å; Q1120-L1140 HydrophobicContact CG-CD2 3.61Å; E1138-L1140 HydrophobicContact CB-CD1 3.87Å; E1138-L1140 HydrophobicContact CB-CD2 4.39Å; E1138-L1140 HydrophobicContact CB-CG 3.76Å; E1138-L1140 PolarHBondContact O-N 2.83Å |
| 1141 | T | 81.6 | Confident | 64.6 | Low | 26 Ų | 26 | 91.8 Ų | 91.8 | 16% | 0.16 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.9 | 168.7 | -171.2 | 0 | 0 | 0 | 0 | 109.6 | L908 L1119 I1121 | L908-T1141 HydrophobicContact CD1-CG2 3.85Å; L1119-T1141 HydrophobicContact CB-CG2 3.75Å; L1119-T1141 HydrophobicContact CD1-CG2 4.21Å; L1119-T1141 PolarHBondContact N-O 3.45Å; L1119-T1141 PolarHBondContact O-N 3.14Å; I1121-T1141 HydrophobicContact CD1-CG2 4.29Å; I1121-T1141 HydrophobicContact CG1-CG2 4.06Å |
| 1142 | V | 85.1 | Confident | 67.1 | Low | 44 Ų | 44 | 88.4 Ų | 88.4 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | trans | -111.1 | 146.8 | 179.2 | -67.3 | 0 | 0 | 0 | 0 | 111 | P620 V1118 | P620-V1142 HydrophobicContact CB-CG1 3.7Å; P620-V1142 WeakPolarHBondContact O-CG1 3.21Å; V1118-V1142 HydrophobicContact CG2-CG1 4.36Å | ||
| 1143 | P | 88.7 | Confident | 69.8 | Low | 3 Ų | 3 | 81.9 Ų | 81.9 | 2% | 0.019 | 38% | 0.378 | C | S | . | . | trans | -74.8 | 166.1 | 172.6 | 32.3 | -34 | 0 | 0 | 0 | 111.1 | A622 V872 V873 L1105 C1117 L1119 | A622-P1143 WeakPolarHBondContact CB-O 3.46Å; V872-P1143 HydrophobicContact CG1-CB 3.54Å; V872-P1143 HydrophobicContact CG1-CG 3.57Å; V873-P1143 CarbonylContact O-C 3.37Å; V873-P1143 WeakPolarHBondContact O-CA 3.18Å; V873-P1143 VanDerWaalsContact O-CB 3.27Å; V873-P1143 WeakPolarHBondContact O-CB 3.01Å; L1105-P1143 HydrophobicContact CD1-CB 4.19Å; C1117-P1143 HydrophobicContact CB-CG 4.05Å; C1117-P1143 VanDerWaalsContact O-CD 3.25Å; C1117-P1143 WeakPolarHBondContact O-CD 3.3Å; L1119-P1143 HydrophobicContact CD1-CB 4.36Å | ||
| 1144 | R | 90.3 | Very high | 72.6 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 9% | 0.087 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 142.9 | 163.5 | -67 | -70.2 | -171.7 | 176.8 | -1.6 | 109.1 | T624 T625 V873 E875 N902 F1146 | T624-R1144 PolarHBondContact O-NH1 3.14Å; T624-R1144 PolarHBondContact OG1-NH1 3.25Å; T625-R1144 PolarHBondContact O-NH1 3.47Å; V873-R1144 HydrophobicContact CG2-CB 3.79Å; V873-R1144 PolarHBondContact N-O 3.32Å; V873-R1144 PolarHBondContact O-N 3Å; E875-R1144 HydrophobicContact CB-CG 4.15Å; E875-R1144 IonicContact OE1-CZ 3.95Å; E875-R1144 IonicContact OE1-NE 2.82Å; E875-R1144 PolarHBondContact OE1-NE 2.86Å; E875-R1144 IonicContact OE1-NH2 3.78Å; N902-R1144 PolarHBondContact ND2-NH2 3.14Å; R1144-F1146 HydrophobicContact CB-CD2 4.39Å; R1144-F1146 HydrophobicContact CB-CE2 3.63Å; R1144-F1146 HydrophobicContact CB-CZ 4.17Å |
| 1145 | I | 91.1 | Very high | 75.3 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.8 | 177.4 | -51.9 | 173.3 | 0 | 0 | 0 | 108.2 | A622 C648 M650 L870 Q871 V872 | A622-I1145 HydrophobicContact CB-CD1 3.83Å; A622-I1145 HydrophobicContact CB-CG1 4.17Å; C648-I1145 HydrophobicContact CB-CB 4.42Å; C648-I1145 HydrophobicContact CB-CG2 4.02Å; C648-I1145 PolarHBondContact N-O 2.83Å; C648-I1145 WeakPolarHBondContact O-CB 2.98Å; M650-I1145 HydrophobicContact CB-CD1 3.53Å; M650-I1145 HydrophobicContact SD-CD1 4.35Å; L870-I1145 HydrophobicContact CD1-CG2 4.23Å; L870-I1145 HydrophobicContact CD2-CG2 3.52Å; L870-I1145 HydrophobicContact CG-CG2 3.73Å; Q871-I1145 WeakPolarHBondContact O-CA 3.24Å; V872-I1145 HydrophobicContact CG2-CG1 4.49Å |
| 1146 | F | 90.1 | Very high | 77.9 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.9 | 176.6 | -62.6 | -84.3 | 0 | 0 | 0 | 109.9 | P626 D645 K646 Q871 V873 R1144 | P626-F1146 HydrophobicContact CG-CE1 3.81Å; P626-F1146 HydrophobicContact CG-CZ 3.73Å; D645-F1146 HydrophobicContact CB-CB 4.41Å; D645-F1146 HydrophobicContact CB-CD1 4.2Å; D645-F1146 HydrophobicContact CB-CG 4.46Å; D645-F1146 WeakPolarHBondContact O-CD1 3.3Å; K646-F1146 CarbonylContact O-C 3.46Å; K646-F1146 VanDerWaalsContact O-CA 3.31Å; K646-F1146 WeakPolarHBondContact O-CA 3.2Å; Q871-F1146 PolarHBondContact N-O 3.36Å; Q871-F1146 PolarHBondContact O-N 2.9Å; V873-F1146 HydrophobicContact CG2-CD2 3.9Å; V873-F1146 HydrophobicContact CG2-CE2 3.65Å; R1144-F1146 HydrophobicContact CB-CD2 4.39Å; R1144-F1146 HydrophobicContact CB-CE2 3.63Å; R1144-F1146 HydrophobicContact CB-CZ 4.17Å |
| 1147 | M | 88.1 | Confident | 80.7 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 102.4 | 165.7 | -72.6 | -66.2 | -78 | 0 | 0 | 107.4 | A586 K646 C648 W861 H865 A868 L870 F1149 | A586-M1147 HydrophobicContact CB-CG 4.23Å; K646-M1147 HydrophobicContact CB-CB 4.37Å; K646-M1147 PolarHBondContact N-O 3.3Å; K646-M1147 PolarHBondContact O-N 2.95Å; C648-M1147 HydrophobicContact CB-CG 3.81Å; W861-M1147 HydrophobicContact CZ2-CE 4.47Å; H865-M1147 HydrophobicContact CB-CE 3.45Å; H865-M1147 VanDerWaalsContact CB-CE 3.45Å; A868-M1147 HydrophobicContact CB-CB 4.38Å; A868-M1147 HydrophobicContact CB-CE 3.63Å; L870-M1147 HydrophobicContact CB-SD 4.02Å; L870-M1147 HydrophobicContact CD1-SD 4.1Å; L870-M1147 HydrophobicContact CG-SD 4.15Å; M1147-F1149 HydrophobicContact CB-CE2 4.08Å; M1147-F1149 WeakPolarHBondContact O-CD2 3.4Å |
| 1148 | R | 85.7 | Confident | 82.9 | Confident | 102 Ų | 102 | 43.4 Ų | 43.4 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 108.6 | -178.5 | -176.9 | 167.3 | -174.3 | 160.7 | 1.9 | 110.2 | D645 A868 K869 | D645-R1148 VanDerWaalsContact OD1-CD 3.24Å; D645-R1148 WeakPolarHBondContact OD1-CD 3.43Å; D645-R1148 VanDerWaalsContact OD1-CG 3.23Å; D645-R1148 WeakPolarHBondContact OD1-CG 3.13Å; D645-R1148 IonicContact OD1-NE 3.28Å; A868-R1148 CarbonylContact C-O 3.48Å; A868-R1148 WeakPolarHBondContact CA-O 3.42Å; K869-R1148 PolarHBondContact N-O 2.89Å; K869-R1148 PolarHBondContact O-N 3.29Å |
| 1149 | F | 82.4 | Confident | 85 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135.4 | 176.5 | -71 | -99.1 | 0 | 0 | 0 | 110.1 | L588 D644 K646 A868 M1147 C1214 | L588-F1149 HydrophobicContact CD2-CE2 4.4Å; L588-F1149 HydrophobicContact CD2-CZ 4.13Å; D644-F1149 PolarHBondContact O-N 3.08Å; K646-F1149 HydrophobicContact CB-CE2 4.11Å; K646-F1149 HydrophobicContact CG-CD2 3.8Å; K646-F1149 HydrophobicContact CG-CE2 3.61Å; A868-F1149 HydrophobicContact CB-CD1 3.87Å; A868-F1149 HydrophobicContact CB-CD2 4.08Å; A868-F1149 HydrophobicContact CB-CE1 3.8Å; A868-F1149 HydrophobicContact CB-CE2 4Å; A868-F1149 HydrophobicContact CB-CG 4.01Å; A868-F1149 HydrophobicContact CB-CZ 3.87Å; M1147-F1149 HydrophobicContact CB-CE2 4.08Å; M1147-F1149 WeakPolarHBondContact O-CD2 3.4Å; F1149-C1214 HydrophobicContact CB-CB 3.75Å; F1149-C1214 HydrophobicContact CD1-CB 3.75Å; F1149-C1214 HydrophobicContact CD2-CB 3.87Å; F1149-C1214 HydrophobicContact CE1-CB 4.32Å; F1149-C1214 HydrophobicContact CE2-CB 4.44Å; F1149-C1214 HydrophobicContact CG-CB 3.5Å |
| 1150 | R | 72.3 | Confident | 86.1 | Confident | 191 Ų | 191 | 33 Ų | 33 | 72% | 0.721 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -82.3 | -27.7 | 178 | -63.9 | -175.9 | -175.4 | 177 | 5.9 | 112.5 | E867 | E867-R1150 PolarHBondContact O-N 3.23Š|
| 1151 | T | 75 | Confident | 87 | Confident | 63 Ų | 63 | 31 Ų | 31 | 39% | 0.387 | 14% | 0.144 | S | C | . | . | trans | -124.3 | 142.8 | -176.1 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1152 | S | 78.7 | Confident | 87.4 | Confident | 31 Ų | 31 | 31 Ų | 31 | 22% | 0.217 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138 | 176 | -171.1 | 0 | 0 | 0 | 0 | 107.1 | E1212 | S1152-E1212 WeakPolarHBondContact CB-OE1 3.48Å; S1152-E1212 WeakPolarHBondContact OG-CG 3.5Å; S1152-E1212 PolarHBondContact OG-OE1 3.43Å |
| 1153 | H | 86.7 | Confident | 87.7 | Confident | 25 Ų | 25 | 29 Ų | 29 | 12% | 0.116 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.7 | -170.5 | -67.6 | -76.4 | 0 | 0 | 0 | 109.9 | E1212 M1213 G1215 L1287 D1289 | H1153-E1212 WeakPolarHBondContact O-CA 3.24Å; H1153-M1213 PolarHBondContact N-O 3.07Å; H1153-M1213 PolarHBondContact O-N 3.24Å; H1153-G1215 PolarHBondContact CD2-O 3.47Å; H1153-G1215 VanDerWaalsContact CD2-O 3.28Å; H1153-L1287 HydrophobicContact CB-CD1 3.82Å; H1153-D1289 WeakPolarHBondContact CA-OD1 3.26Å; H1153-D1289 IonicContact CE1-OD2 2.7Å; H1153-D1289 IonicContact CG-OD1 3.37Å; H1153-D1289 IonicContact CG-OD2 3.99Å; H1153-D1289 IonicContact ND1-OD1 3.44Å; H1153-D1289 PolarHBondContact ND1-OD1 2.95Å; H1153-D1289 IonicContact ND1-OD2 3.5Å; H1153-D1289 PolarHBondContact ND1-OD2 2.6Å |
| 1154 | I | 85.8 | Confident | 87.8 | Confident | 68 Ų | 68 | 28.9 Ų | 28.9 | 35% | 0.349 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123 | -178.5 | -59 | 177.1 | 0 | 0 | 0 | 109 | L1288 D1289 | I1154-L1288 HydrophobicContact CG2-CB 4.5Å; I1154-L1288 WeakPolarHBondContact O-CB 3.06Å; I1154-L1288 PolarHBondContact O-N 2.92Å; I1154-D1289 PolarHBondContact N-OD1 3.16Å |
| 1155 | W | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 161.2 | -178.4 | -61.1 | 82 | 0 | 0 | 0 | 112.1 | I1211 M1213 P1217 I1220 V1252 L1254 L1285 I1286 L1287 | W1155-I1211 WeakPolarHBondContact CA-O 3.39Å; W1155-I1211 HydrophobicContact CB-CB 4.18Å; W1155-I1211 WeakPolarHBondContact CB-O 3.34Å; W1155-I1211 PolarHBondContact N-O 3.17Å; W1155-I1211 PolarHBondContact O-N 2.64Å; W1155-M1213 HydrophobicContact CB-CE 3.83Å; W1155-M1213 HydrophobicContact CD2-CE 3.76Å; W1155-M1213 HydrophobicContact CG-CE 3.34Å; W1155-P1217 HydrophobicContact CH2-CB 4.12Å; W1155-P1217 HydrophobicContact CZ2-CB 3.89Å; W1155-P1217 HydrophobicContact CZ2-CG 4.44Å; W1155-I1220 HydrophobicContact CH2-CB 4.16Å; W1155-I1220 HydrophobicContact CH2-CG2 3.84Å; W1155-I1220 HydrophobicContact CZ2-CB 3.96Å; W1155-I1220 HydrophobicContact CZ2-CD1 3.6Å; W1155-I1220 HydrophobicContact CZ2-CG1 4.35Å; W1155-I1220 HydrophobicContact CZ2-CG2 3.85Å; W1155-I1220 HydrophobicContact CZ3-CG2 4.43Å; W1155-V1252 HydrophobicContact CH2-CG1 3.83Å; W1155-V1252 HydrophobicContact CZ3-CG1 3.61Å; W1155-L1254 HydrophobicContact CH2-CD2 3.67Å; W1155-L1254 HydrophobicContact CZ3-CD2 4.27Å; W1155-L1285 HydrophobicContact CB-CD1 3.91Å; W1155-L1285 HydrophobicContact CD2-CD1 4.48Å; W1155-L1285 HydrophobicContact CD2-CG 4.31Å; W1155-L1285 HydrophobicContact CE3-CD1 4.16Å; W1155-L1285 HydrophobicContact CE3-CD2 4.12Å; W1155-L1285 HydrophobicContact CE3-CG 3.63Å; W1155-L1285 HydrophobicContact CG-CD1 4.45Å; W1155-L1285 HydrophobicContact CZ3-CD2 4.36Å; W1155-L1285 HydrophobicContact CZ3-CG 4.12Å; W1155-I1286 CarbonylContact C-O 3.4Å; W1155-I1286 VanDerWaalsContact CA-O 3.29Å; W1155-I1286 WeakPolarHBondContact CA-O 3.1Å; W1155-L1287 HydrophobicContact CD2-CB 4.43Å; W1155-L1287 HydrophobicContact CD2-CD1 4Å; W1155-L1287 HydrophobicContact CE3-CB 3.96Å; W1155-L1287 HydrophobicContact CE3-CD1 4.36Å; W1155-L1287 HydrophobicContact CH2-CB 4.1Å; W1155-L1287 HydrophobicContact CH2-CD1 4.27Å; W1155-L1287 HydrophobicContact CZ2-CD1 3.84Å; W1155-L1287 HydrophobicContact CZ3-CB 3.78Å; W1155-L1287 HydrophobicContact CZ3-CD1 4.49Å |
| 1156 | H | 88.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 116.9 | 177.6 | -175.8 | 89.7 | 0 | 0 | 0 | 108.7 | R1158 I1207 I1286 L1288 | H1156-R1158 PolarHBondContact NE2-NE 3.36Å; H1156-R1158 VanDerWaalsContact NE2-NE 3.13Å; H1156-I1207 WeakPolarHBondContact CE1-CG2 3.35Å; H1156-I1207 WeakPolarHBondContact NE2-CG2 3.38Å; H1156-I1286 HydrophobicContact CB-CB 4.47Å; H1156-I1286 PolarHBondContact N-O 3.26Å; H1156-I1286 PolarHBondContact O-N 3.13Å; H1156-L1288 HydrophobicContact CB-CD1 3.76Å; H1156-L1288 HydrophobicContact CB-CD2 4.19Å; H1156-L1288 HydrophobicContact CB-CG 3.92Å |
| 1157 | L | 92.5 | Very high | 87 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.7 | 177.9 | 171.8 | 78.6 | 0 | 0 | 0 | 109.1 | F1184 F1208 I1211 V1227 P1250 E1284 L1285 | L1157-F1184 HydrophobicContact CB-CD1 4.43Å; L1157-F1184 HydrophobicContact CD2-CB 3.63Å; L1157-F1184 HydrophobicContact CD2-CD1 3.69Å; L1157-F1184 HydrophobicContact CD2-CD2 4.07Å; L1157-F1184 HydrophobicContact CD2-CE1 4.32Å; L1157-F1184 HydrophobicContact CD2-CG 3.53Å; L1157-F1208 HydrophobicContact CB-CB 4.07Å; L1157-F1208 HydrophobicContact CB-CD2 4.42Å; L1157-F1208 HydrophobicContact CD2-CD2 3.86Å; L1157-F1208 HydrophobicContact CD2-CE2 4.25Å; L1157-F1208 HydrophobicContact CD2-CG 4.25Å; L1157-F1208 HydrophobicContact CG-CD2 4.21Å; L1157-F1208 PolarHBondContact N-O 2.74Å; L1157-F1208 PolarHBondContact O-N 2.93Å; L1157-I1211 HydrophobicContact CB-CD1 3.57Å; L1157-V1227 HydrophobicContact CD1-CG2 4.11Å; L1157-V1227 HydrophobicContact CD2-CG2 3.96Å; L1157-P1250 HydrophobicContact CD1-CB 4.01Å; L1157-E1284 CarbonylContact C-O 3.57Å; L1157-E1284 VanDerWaalsContact CA-O 3.29Å; L1157-E1284 WeakPolarHBondContact CA-O 3.37Å; L1157-E1284 WeakPolarHBondContact CD1-O 3.45Å; L1157-L1285 HydrophobicContact CB-CD1 4.02Å; L1157-L1285 HydrophobicContact CD1-CB 4.31Å; L1157-L1285 HydrophobicContact CD1-CD1 4.48Å |
| 1158 | R | 91.9 | Very high | 86.9 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 6% | 0.057 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121.3 | 168.2 | -65.1 | 172.4 | 171.2 | -162.7 | -5 | 109 | H1156 Y1160 T1205 F1283 E1284 P1294 P1295 | H1156-R1158 PolarHBondContact NE2-NE 3.36Å; H1156-R1158 VanDerWaalsContact NE2-NE 3.13Å; R1158-Y1160 HydrophobicContact CB-CE1 4.27Å; R1158-Y1160 HydrophobicContact CB-CE2 4.18Å; R1158-Y1160 WeakPolarHBondContact CD-OH 3.36Å; R1158-T1205 HydrophobicContact CB-CG2 4.21Å; R1158-F1283 WeakPolarHBondContact O-CA 3.45Å; R1158-E1284 HydrophobicContact CB-CG 3.78Å; R1158-E1284 WeakPolarHBondContact CD-OE1 3.18Å; R1158-E1284 HydrophobicContact CG-CG 4.49Å; R1158-E1284 PolarHBondContact N-O 3.21Å; R1158-E1284 IonicContact NH1-OE1 2.86Å; R1158-E1284 PolarHBondContact O-N 3.22Å; R1158-P1294 PolarHBondContact NH2-O 3.26Å; R1158-P1295 PolarHBondContact NH2-O 2.9Å |
| 1159 | A | 93.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 110.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | I1161 T1205 L1206 F1208 F1283 | A1159-I1161 HydrophobicContact CB-CD1 4.35Å; A1159-I1161 PolarHBondContact O-N 2.86Å; A1159-T1205 CarbonylContact O-C 3.49Å; A1159-T1205 WeakPolarHBondContact O-CA 3.3Å; A1159-L1206 HydrophobicContact CB-CB 4.22Å; A1159-L1206 PolarHBondContact N-O 2.97Å; A1159-L1206 PolarHBondContact O-N 2.94Å; A1159-F1208 HydrophobicContact CB-CE2 4.4Å; A1159-F1283 HydrophobicContact CB-CD1 3.48Å; A1159-F1283 VanDerWaalsContact CB-CD1 3.48Å; A1159-F1283 HydrophobicContact CB-CE1 3.44Å; A1159-F1283 VanDerWaalsContact CB-CE1 3.44Å |
| 1160 | Y | 93.4 | Very high | 86.4 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 95.2 | 178.4 | -56.6 | -65.8 | 0 | 0 | 0 | 109 | R1158 T1205 A1281 A1282 E1284 V1306 P1307 I1310 | R1158-Y1160 HydrophobicContact CB-CE1 4.27Å; R1158-Y1160 HydrophobicContact CB-CE2 4.18Å; R1158-Y1160 WeakPolarHBondContact CD-OH 3.36Å; Y1160-T1205 HydrophobicContact CD1-CG2 3.69Å; Y1160-T1205 WeakPolarHBondContact CD1-OG1 3.44Å; Y1160-T1205 HydrophobicContact CE1-CG2 3.56Å; Y1160-A1281 CarbonylContact O-C 3.5Å; Y1160-A1281 WeakPolarHBondContact O-CA 3.43Å; Y1160-A1281 WeakPolarHBondContact O-CB 3.4Å; Y1160-A1282 WeakPolarHBondContact CB-O 3.33Å; Y1160-A1282 HydrophobicContact CD2-CB 4.03Å; Y1160-A1282 WeakPolarHBondContact CD2-O 3.13Å; Y1160-A1282 PolarHBondContact N-O 3.09Å; Y1160-A1282 PolarHBondContact O-N 3.47Å; Y1160-E1284 HydrophobicContact CE2-CG 3.79Å; Y1160-E1284 PolarHBondContact OH-OE1 2.96Å; Y1160-V1306 HydrophobicContact CD1-CG1 4.25Å; Y1160-P1307 HydrophobicContact CD1-CG 4.48Å; Y1160-P1307 HydrophobicContact CE1-CG 3.74Å; Y1160-I1310 HydrophobicContact CD1-CD1 4.23Å; Y1160-I1310 HydrophobicContact CD2-CD1 3.82Å; Y1160-I1310 HydrophobicContact CE1-CD1 3.92Å; Y1160-I1310 HydrophobicContact CE2-CD1 3.47Å; Y1160-I1310 VanDerWaalsContact CE2-CD1 3.47Å; Y1160-I1310 HydrophobicContact CG-CD1 4.17Å |
| 1161 | I | 94.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 101.7 | -178.8 | -51.9 | -56.5 | 0 | 0 | 0 | 108.3 | A1159 V1180 T1191 W1202 D1203 E1204 L1206 I1229 I1279 A1281 F1283 | A1159-I1161 HydrophobicContact CB-CD1 4.35Å; A1159-I1161 PolarHBondContact O-N 2.86Å; I1161-V1180 HydrophobicContact CG2-CB 4.46Å; I1161-V1180 HydrophobicContact CG2-CG2 4.23Å; I1161-T1191 HydrophobicContact CB-CG2 4.08Å; I1161-T1191 HydrophobicContact CG1-CG2 4.25Å; I1161-T1191 HydrophobicContact CG2-CG2 3.93Å; I1161-W1202 HydrophobicContact CG2-CD2 4.23Å; I1161-W1202 HydrophobicContact CG2-CE3 3.75Å; I1161-W1202 HydrophobicContact CG2-CZ3 4.3Å; I1161-D1203 PolarHBondContact O-N 3.46Å; I1161-E1204 PolarHBondContact N-O 3.45Å; I1161-E1204 PolarHBondContact O-N 3.15Å; I1161-L1206 HydrophobicContact CG1-CD1 4.25Å; I1161-L1206 HydrophobicContact CG1-CG 4.46Å; I1161-I1229 HydrophobicContact CD1-CD1 4.46Å; I1161-I1279 HydrophobicContact CG2-CD1 4.14Å; I1161-A1281 HydrophobicContact CD1-CB 4.07Å; I1161-F1283 HydrophobicContact CD1-CE1 3.95Å; I1161-F1283 HydrophobicContact CD1-CZ 3.73Å |
| 1162 | F | 91.6 | Very high | 86.5 | Confident | 27 Ų | 27 | 27 Ų | 27 | 12% | 0.118 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -65.1 | -171.9 | -167.8 | -113 | 0 | 0 | 0 | 111.9 | W1202 D1203 L1264 L1280 V1306 R1311 P1312 | F1162-W1202 PolarHBondContact O-N 2.94Å; F1162-D1203 HydrophobicContact CD2-CB 4.17Å; F1162-D1203 HydrophobicContact CE2-CB 4.17Å; F1162-D1203 PolarHBondContact O-N 3.34Å; F1162-L1264 HydrophobicContact CB-CD1 3.95Å; F1162-L1264 HydrophobicContact CB-CD2 4.1Å; F1162-L1264 HydrophobicContact CD1-CD1 4.01Å; F1162-L1264 HydrophobicContact CD2-CD1 4.38Å; F1162-L1264 HydrophobicContact CG-CD1 3.85Å; F1162-L1280 WeakPolarHBondContact CB-O 3.36Å; F1162-L1280 HydrophobicContact CD1-CD2 3.87Å; F1162-L1280 HydrophobicContact CD1-CG 4.44Å; F1162-L1280 PolarHBondContact N-O 3.41Å; F1162-L1280 VanDerWaalsContact N-O 3.12Å; F1162-V1306 HydrophobicContact CD2-CB 4.44Å; F1162-V1306 HydrophobicContact CD2-CG2 4.17Å; F1162-R1311 HydrophobicContact CE2-CG 4.32Å; F1162-P1312 HydrophobicContact CE1-CG 3.99Å; F1162-P1312 HydrophobicContact CZ-CG 4.21Å |
| 1163 | Q | 90.3 | Very high | 86.1 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 165.4 | -178.6 | 66.2 | -177.6 | -2.6 | 0 | 0 | 112.1 | P1200 I1201 W1266 L1280 Y1382 | Q1163-P1200 CarbonylContact C-O 3.6Å; Q1163-P1200 WeakPolarHBondContact CA-O 3.07Å; Q1163-P1200 WeakPolarHBondContact CB-O 3.36Å; Q1163-I1201 HydrophobicContact CB-CB 4.38Å; Q1163-I1201 HydrophobicContact CB-CG1 3.97Å; Q1163-I1201 HydrophobicContact CB-CG2 4.48Å; Q1163-W1266 HydrophobicContact CG-CH2 3.73Å; Q1163-W1266 HydrophobicContact CG-CZ2 4.32Å; Q1163-W1266 HydrophobicContact CG-CZ3 4.43Å; Q1163-W1266 VanDerWaalsContact NE2-CZ2 3.32Å; Q1163-L1280 HydrophobicContact CG-CB 3.75Å; Q1163-L1280 HydrophobicContact CG-CD2 4.01Å; Q1163-L1280 HydrophobicContact CG-CG 4.44Å; Q1163-L1280 PolarHBondContact N-O 3.03Å; Q1163-L1280 PolarHBondContact O-N 2.92Å; Q1163-Y1382 PolarHBondContact NE2-O 3.39Å |
| 1164 | A | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 162.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1167 C1199 P1200 W1202 E1278 I1279 | A1164-V1167 HydrophobicContact CB-CG2 3.83Å; A1164-C1199 CarbonylContact O-C 3.53Å; A1164-C1199 VanDerWaalsContact O-CA 3.22Å; A1164-C1199 WeakPolarHBondContact O-CA 3.42Å; A1164-P1200 HydrophobicContact CB-CG 3.95Å; A1164-P1200 PolarHBondContact N-O 3.48Å; A1164-W1202 HydrophobicContact CB-CH2 3.87Å; A1164-W1202 HydrophobicContact CB-CZ3 3.69Å; A1164-E1278 CarbonylContact C-O 3.57Å; A1164-E1278 WeakPolarHBondContact CA-O 3.36Å; A1164-E1278 VanDerWaalsContact CB-O 3.28Å; A1164-E1278 WeakPolarHBondContact CB-O 3.39Å; A1164-I1279 HydrophobicContact CB-CB 4.42Å; A1164-I1279 HydrophobicContact CB-CG1 4.38Å |
| 1165 | R | 86.6 | Confident | 85.2 | Confident | 41 Ų | 41 | 24.1 Ų | 24.1 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.8 | 177 | 68.8 | -176.2 | -177.2 | -177.5 | 2.4 | 111.8 | V1167 W1266 G1277 E1278 P1385 | R1165-V1167 PolarHBondContact O-N 3.07Å; R1165-W1266 HydrophobicContact CB-CH2 4.07Å; R1165-W1266 HydrophobicContact CB-CZ3 4.18Å; R1165-W1266 HydrophobicContact CG-CE3 4.25Å; R1165-W1266 HydrophobicContact CG-CH2 3.75Å; R1165-W1266 HydrophobicContact CG-CZ3 3.58Å; R1165-G1277 WeakPolarHBondContact O-CA 3.36Å; R1165-E1278 HydrophobicContact CG-CB 4.13Å; R1165-E1278 IonicContact CZ-OE2 3.23Å; R1165-E1278 PolarHBondContact N-O 3.4Å; R1165-E1278 IonicContact NE-OE2 2.75Å; R1165-E1278 PolarHBondContact NE-OE2 3.38Å; R1165-E1278 IonicContact NH2-OE2 2.71Å; R1165-E1278 PolarHBondContact NH2-OE2 2.95Å; R1165-E1278 PolarHBondContact O-N 3.49Å; R1165-P1385 HydrophobicContact CB-CB 4.35Å; R1165-P1385 HydrophobicContact CB-CG 3.76Å |
| 1166 | S | 81.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 24.1 Ų | 24.1 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 54.5 | 36.9 | 177.4 | -52.3 | 0 | 0 | 0 | 0 | 112.9 | L1198 G1277 | S1166-L1198 PolarHBondContact N-O 3.05Å; S1166-G1277 VanDerWaalsContact O-CA 3.22Å; S1166-G1277 WeakPolarHBondContact O-CA 3.22Å |
| 1167 | V | 87.4 | Confident | 85.3 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 148.1 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | A1164 R1165 A1169 L1198 L1231 L1243 | A1164-V1167 HydrophobicContact CB-CG2 3.83Å; R1165-V1167 PolarHBondContact O-N 3.07Å; V1167-A1169 PolarHBondContact O-N 2.88Å; V1167-L1198 VanDerWaalsContact CB-O 3.3Å; V1167-L1198 WeakPolarHBondContact CB-O 3.45Å; V1167-L1198 WeakPolarHBondContact CG2-O 3.21Å; V1167-L1198 PolarHBondContact N-O 3.36Å; V1167-L1198 WeakPolarHBondContact O-CD2 3.41Å; V1167-L1231 HydrophobicContact CB-CD2 4.25Å; V1167-L1231 HydrophobicContact CG1-CD2 3.57Å; V1167-L1231 HydrophobicContact CG2-CD2 3.68Å; V1167-L1243 HydrophobicContact CG1-CD1 3.39Å |
| 1168 | L | 84.1 | Confident | 85.4 | Confident | 62 Ų | 62 | 25 Ų | 25 | 33% | 0.325 | 13% | 0.134 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 131.9 | 176.8 | -62.7 | 177.8 | 0 | 0 | 0 | 111.3 | S1176 L1243 K1271 | L1168-S1176 PolarHBondContact O-OG 2.8Å; L1168-L1243 HydrophobicContact CB-CD2 4.29Å; L1168-K1271 HydrophobicContact CD1-CB 4.44Å; L1168-K1271 HydrophobicContact CD1-CD 3.64Å |
| 1169 | A | 79.1 | Confident | 85.6 | Confident | 23 Ų | 23 | 24.5 Ų | 24.5 | 19% | 0.19 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 125.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1167 G1174 S1176 L1198 K1530 | V1167-A1169 PolarHBondContact O-N 2.88Å; A1169-G1174 WeakPolarHBondContact CB-O 3.42Å; A1169-S1176 WeakPolarHBondContact CA-OG 3.41Å; A1169-L1198 HydrophobicContact CB-CD1 4.31Å; A1169-L1198 HydrophobicContact CB-CD2 3.89Å; A1169-K1530 VanDerWaalsContact CB-N 3.31Å; A1169-K1530 WeakPolarHBondContact O-CA 3.47Å |
| 1170 | A | 80.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | trans | -123 | -12.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1175 S1176 D1233 H1241 L1243 K1530 | A1170-L1175 PolarHBondContact N-O 3.16Å; A1170-S1176 PolarHBondContact N-OG 3.43Å; A1170-D1233 HydrophobicContact CB-CB 3.68Å; A1170-D1233 WeakPolarHBondContact CB-OD2 3.36Å; A1170-H1241 HydrophobicContact CB-CB 4.48Å; A1170-H1241 WeakPolarHBondContact CB-ND1 3.31Å; A1170-L1243 HydrophobicContact CB-CD2 3.7Å; A1170-K1530 WeakPolarHBondContact O-CD 3.49Å; A1170-K1530 WeakPolarHBondContact O-CE 3.41Å; A1170-K1530 PolarHBondContact O-NZ 3.49Å | ||
| 1171 | D | 80.1 | Confident | 85.7 | Confident | 29 Ų | 29 | 24.7 Ų | 24.7 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -89.9 | 159.5 | 174.7 | -77.4 | -41.2 | 0 | 0 | 0 | 114.1 | S1173 G1174 L1175 K1530 | D1171-S1173 WeakPolarHBondContact CB-OG 3.2Å; D1171-S1173 PolarHBondContact O-N 2.52Å; D1171-G1174 PolarHBondContact O-N 3.42Å; D1171-L1175 WeakPolarHBondContact CB-O 3.11Å; D1171-L1175 PolarHBondContact N-O 3.34Å; D1171-K1530 VanDerWaalsContact O-CB 3.3Å; D1171-K1530 WeakPolarHBondContact O-CB 3.34Å |
| 1172 | Q | 69 | Low | 85.7 | Confident | 176 Ų | 176 | 24.7 Ų | 24.7 | 82% | 0.822 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.7 | 168.4 | -62.6 | -175.7 | 12.2 | 0 | 0 | 113.5 | G1174 | Q1172-G1174 PolarHBondContact O-N 2.84Š|
| 1173 | S | 70.4 | Confident | 85.7 | Confident | 37 Ų | 37 | 23.7 Ų | 23.7 | 26% | 0.259 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.6 | 171.3 | 66.5 | 0 | 0 | 0 | 0 | 111.6 | D1171 L1175 M1401 | D1171-S1173 WeakPolarHBondContact CB-OG 3.2Å; D1171-S1173 PolarHBondContact O-N 2.52Å; S1173-L1175 PolarHBondContact OG-N 2.97Å; S1173-L1175 VanDerWaalsContact OG-N 3.13Å; S1173-M1401 VanDerWaalsContact O-CE 3.24Å; S1173-M1401 WeakPolarHBondContact O-CE 3.49Å |
| 1174 | G | 71.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 85.8 | 11.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1169 D1171 Q1172 G1529 | A1169-G1174 WeakPolarHBondContact CB-O 3.42Å; D1171-G1174 PolarHBondContact O-N 3.42Å; Q1172-G1174 PolarHBondContact O-N 2.84Å; G1174-G1529 WeakPolarHBondContact O-CA 3.46Å |
| 1175 | L | 82.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 25.1 Ų | 25.1 | 12% | 0.115 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -118 | -162.2 | 175 | -59 | 168.6 | 0 | 0 | 0 | 108.5 | A1170 D1171 S1173 Q1196 L1198 M1401 | A1170-L1175 PolarHBondContact N-O 3.16Å; D1171-L1175 WeakPolarHBondContact CB-O 3.11Å; D1171-L1175 PolarHBondContact N-O 3.34Å; S1173-L1175 PolarHBondContact OG-N 2.97Å; S1173-L1175 VanDerWaalsContact OG-N 3.13Å; L1175-Q1196 HydrophobicContact CD1-CB 3.92Å; L1175-Q1196 WeakPolarHBondContact CD1-O 3.47Å; L1175-L1198 HydrophobicContact CD2-CD1 4.35Å; L1175-L1198 HydrophobicContact CD2-CG 3.91Å; L1175-M1401 HydrophobicContact CD1-CE 3.73Å; L1175-M1401 HydrophobicContact CD2-CE 3.74Å; L1175-M1401 HydrophobicContact CG-CE 3.51Å |
| 1176 | S | 87.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -144.2 | 165 | 170.1 | -59.9 | 0 | 0 | 0 | 0 | 108.4 | L1168 A1169 A1170 P1178 Q1196 T1197 D1233 | L1168-S1176 PolarHBondContact O-OG 2.8Å; A1169-S1176 WeakPolarHBondContact CA-OG 3.41Å; A1170-S1176 PolarHBondContact N-OG 3.43Å; S1176-P1178 WeakPolarHBondContact O-CD 3.47Å; S1176-Q1196 CarbonylContact O-C 3.56Å; S1176-Q1196 VanDerWaalsContact O-CA 3.3Å; S1176-Q1196 WeakPolarHBondContact O-CA 3.42Å; S1176-Q1196 PolarHBondContact O-N 3.45Å; S1176-Q1196 VanDerWaalsContact O-N 3.14Å; S1176-T1197 PolarHBondContact O-N 3.01Å; S1176-T1197 VanDerWaalsContact O-O 3.12Å; S1176-D1233 WeakPolarHBondContact CA-OD1 3.47Å; S1176-D1233 VanDerWaalsContact CB-OD1 3.24Å; S1176-D1233 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 1177 | D | 92.7 | Very high | 85.6 | Confident | 24 Ų | 24 | 23.1 Ų | 23.1 | 13% | 0.128 | 12% | 0.124 | C | C | . | . | trans | -104.2 | 68.1 | 168.1 | -67.6 | -23.2 | 0 | 0 | 0 | 109.4 | I1193 I1194 Q1195 Q1196 D1233 Y1234 | D1177-I1193 HydrophobicContact CB-CG2 3.95Å; D1177-I1194 CarbonylContact C-O 3.53Å; D1177-I1194 WeakPolarHBondContact CA-O 3.32Å; D1177-Q1195 WeakPolarHBondContact OD1-CA 3.36Å; D1177-Q1196 PolarHBondContact OD1-N 3.25Å; D1177-D1233 PolarHBondContact N-OD1 2.85Å; D1177-Y1234 PolarHBondContact O-N 2.8Å | ||
| 1178 | P | 94.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 139.1 | -168 | 28.3 | -39.4 | 0 | 0 | 0 | 114.6 | S1176 I1194 T1197 P1200 W1202 L1231 F1232 | S1176-P1178 WeakPolarHBondContact O-CD 3.47Å; P1178-I1194 WeakPolarHBondContact CD-O 3.43Å; P1178-I1194 PolarHBondContact O-N 2.86Å; P1178-I1194 VanDerWaalsContact O-N 3.12Å; P1178-T1197 WeakPolarHBondContact CD-O 3.34Å; P1178-T1197 HydrophobicContact CG-CG2 3.83Å; P1178-P1200 HydrophobicContact CB-CG 4.05Å; P1178-P1200 HydrophobicContact CG-CB 3.67Å; P1178-P1200 HydrophobicContact CG-CG 3.55Å; P1178-W1202 HydrophobicContact CB-CZ2 4.19Å; P1178-L1231 HydrophobicContact CB-CD1 4.32Å; P1178-F1232 CarbonylContact C-O 3.53Å; P1178-F1232 WeakPolarHBondContact CA-O 3.31Å |
| 1179 | F | 96.2 | Very high | 85.8 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.2 | 163.6 | 72.4 | -82.8 | 0 | 0 | 0 | 111 | E1190 I1193 L1231 F1232 D1240 | F1179-E1190 HydrophobicContact CD2-CB 4.36Å; F1179-E1190 HydrophobicContact CD2-CG 3.96Å; F1179-E1190 HydrophobicContact CE2-CG 3.93Å; F1179-I1193 HydrophobicContact CB-CG1 3.96Å; F1179-I1193 HydrophobicContact CD1-CG1 4.06Å; F1179-I1193 HydrophobicContact CG-CG1 4.17Å; F1179-L1231 WeakPolarHBondContact O-CD1 3.47Å; F1179-F1232 HydrophobicContact CD1-CB 4.01Å; F1179-F1232 HydrophobicContact CE1-CB 3.42Å; F1179-F1232 VanDerWaalsContact CE1-CB 3.42Å; F1179-F1232 HydrophobicContact CE1-CG 4.4Å; F1179-F1232 HydrophobicContact CE2-CB 4.18Å; F1179-F1232 HydrophobicContact CE2-CD2 4.21Å; F1179-F1232 HydrophobicContact CZ-CB 3.52Å; F1179-F1232 HydrophobicContact CZ-CD2 4.17Å; F1179-F1232 HydrophobicContact CZ-CG 4.03Å; F1179-F1232 PolarHBondContact N-O 2.92Å; F1179-F1232 PolarHBondContact O-N 3.19Å; F1179-D1240 HydrophobicContact CE1-CB 4.16Å; F1179-D1240 HydrophobicContact CZ-CB 4.26Å |
| 1180 | V | 95.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.8 | 179.6 | 172.4 | 0 | 0 | 0 | 0 | 109.6 | I1161 E1190 T1191 W1202 I1229 L1231 I1279 | I1161-V1180 HydrophobicContact CG2-CB 4.46Å; I1161-V1180 HydrophobicContact CG2-CG2 4.23Å; V1180-E1190 VanDerWaalsContact O-CA 3.25Å; V1180-E1190 WeakPolarHBondContact O-CA 3.31Å; V1180-T1191 HydrophobicContact CB-CG2 3.95Å; V1180-T1191 PolarHBondContact N-OG1 2.98Å; V1180-T1191 PolarHBondContact O-N 3.35Å; V1180-W1202 HydrophobicContact CG2-CE3 4.44Å; V1180-W1202 HydrophobicContact CG2-CH2 3.52Å; V1180-W1202 HydrophobicContact CG2-CZ2 3.75Å; V1180-W1202 HydrophobicContact CG2-CZ3 3.91Å; V1180-I1229 HydrophobicContact CG1-CG2 3.7Å; V1180-L1231 HydrophobicContact CG2-CD1 3.54Å; V1180-I1279 HydrophobicContact CG2-CD1 3.81Å |
| 1181 | R | 93.8 | Very high | 87.1 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.6 | 166.3 | -176.5 | 177 | -67.5 | 147.3 | 3.7 | 109.3 | H636 E1190 E1230 F1232 | H636-R1181 PolarHBondContact CD2-NH1 3.39Å; H636-R1181 PolarHBondContact CE1-NH1 3.12Å; H636-R1181 VanDerWaalsContact CG-CZ 3.46Å; H636-R1181 VanDerWaalsContact CG-NH1 3.33Å; H636-R1181 PolarHBondContact ND1-NH1 3.33Å; H636-R1181 PolarHBondContact ND1-NH2 2.96Å; H636-R1181 PolarHBondContact NE2-NH1 3.31Å; R1181-E1190 HydrophobicContact CB-CG 3.99Å; R1181-E1190 HydrophobicContact CG-CG 4.12Å; R1181-E1190 IonicContact CZ-OE1 2.72Å; R1181-E1190 IonicContact NE-OE1 3.17Å; R1181-E1190 PolarHBondContact NE-OE1 2.82Å; R1181-E1190 IonicContact NH2-OE1 3.77Å; R1181-E1190 PolarHBondContact NH2-OE1 2.8Å; R1181-E1230 HydrophobicContact CB-CB 4.46Å; R1181-E1230 PolarHBondContact N-O 3.25Å; R1181-E1230 PolarHBondContact O-N 2.94Å; R1181-F1232 HydrophobicContact CB-CD2 4.35Å; R1181-F1232 HydrophobicContact CB-CE2 4.14Å |
| 1182 | C | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | S1188 Q1189 L1206 F1208 V1227 M1228 I1229 | C1182-S1188 CarbonylContact O-C 3.46Å; C1182-S1188 WeakPolarHBondContact O-CA 3.15Å; C1182-S1188 WeakPolarHBondContact O-CB 3.21Å; C1182-Q1189 PolarHBondContact N-O 3.48Å; C1182-Q1189 PolarHBondContact O-N 2.82Å; C1182-L1206 HydrophobicContact CB-CD1 3.72Å; C1182-F1208 HydrophobicContact CB-CE2 4.42Å; C1182-F1208 HydrophobicContact CB-CZ 4.02Å; C1182-V1227 WeakPolarHBondContact SG-CG1 3.2Å; C1182-M1228 CarbonylContact C-O 3.45Å; C1182-M1228 WeakPolarHBondContact CA-O 3.35Å; C1182-I1229 HydrophobicContact CB-CD1 3.85Å; C1182-I1229 VanDerWaalsContact SG-CD1 3.56Å |
| 1183 | S | 92.5 | Very high | 88.9 | Confident | 5 Ų | 5 | 24 Ų | 24 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.8 | -179.8 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | M592 H1187 S1188 M1228 | M592-S1183 WeakPolarHBondContact SD-CB 3.48Å; S1183-H1187 CarbonylContact C-O 3.52Å; S1183-H1187 WeakPolarHBondContact CA-O 3.5Å; S1183-S1188 WeakPolarHBondContact OG-CB 3.42Å; S1183-M1228 PolarHBondContact N-O 3.17Å; S1183-M1228 PolarHBondContact O-N 2.69Å |
| 1184 | F | 93.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 125.7 | -178.6 | -174.9 | -102.5 | 0 | 0 | 0 | 111.4 | L1157 G1186 H1187 I1211 M1213 P1225 V1227 P1250 L1285 | L1157-F1184 HydrophobicContact CB-CD1 4.43Å; L1157-F1184 HydrophobicContact CD2-CB 3.63Å; L1157-F1184 HydrophobicContact CD2-CD1 3.69Å; L1157-F1184 HydrophobicContact CD2-CD2 4.07Å; L1157-F1184 HydrophobicContact CD2-CE1 4.32Å; L1157-F1184 HydrophobicContact CD2-CG 3.53Å; F1184-G1186 PolarHBondContact O-N 3.03Å; F1184-H1187 PolarHBondContact N-O 3.32Å; F1184-H1187 WeakPolarHBondContact O-CB 3.45Å; F1184-H1187 PolarHBondContact O-N 2.85Å; F1184-I1211 HydrophobicContact CD1-CD1 3.7Å; F1184-I1211 HydrophobicContact CD1-CG2 4.35Å; F1184-I1211 HydrophobicContact CE1-CD1 3.89Å; F1184-I1211 HydrophobicContact CE1-CG2 4.05Å; F1184-M1213 HydrophobicContact CE1-CE 4.44Å; F1184-P1225 HydrophobicContact CE2-CB 3.74Å; F1184-P1225 HydrophobicContact CE2-CG 4.1Å; F1184-P1225 WeakPolarHBondContact CE2-O 3.39Å; F1184-P1225 HydrophobicContact CZ-CB 4.12Å; F1184-P1225 HydrophobicContact CZ-CG 3.96Å; F1184-V1227 HydrophobicContact CD2-CB 4.45Å; F1184-V1227 HydrophobicContact CD2-CG2 3.77Å; F1184-V1227 HydrophobicContact CE2-CG2 4.2Å; F1184-P1250 HydrophobicContact CE2-CG 4.48Å; F1184-L1285 HydrophobicContact CE1-CD1 3.84Å; F1184-L1285 HydrophobicContact CZ-CD1 3.93Å; F1184-L1285 HydrophobicContact CZ-CD2 4.05Å |
| 1185 | Q | 86.9 | Confident | 90.7 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.2 | 53.9 | 172.9 | -65.4 | -62.1 | -32.1 | 0 | 0 | 114.8 | S589 H1187 I1211 M1213 P1225 | S589-Q1185 PolarHBondContact OG-OE1 3.21Å; Q1185-H1187 VanDerWaalsContact C-N 3.34Å; Q1185-H1187 PolarHBondContact O-N 3.46Å; Q1185-H1187 PolarHBondContact O-ND1 2.8Å; Q1185-I1211 HydrophobicContact CB-CG2 4.04Å; Q1185-M1213 HydrophobicContact CG-SD 3.84Å; Q1185-P1225 HydrophobicContact CG-CB 4.36Å; Q1185-P1225 HydrophobicContact CG-CG 4.31Å |
| 1186 | G | 81.1 | Confident | 90.8 | Very high | 7 Ų | 7 | 36 Ų | 36 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 21.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T591 D633 K1046 F1184 | T591-G1186 VanDerWaalsContact CG2-N 3.33Å; D633-G1186 WeakPolarHBondContact CB-O 3.41Å; K1046-G1186 PolarHBondContact NZ-O 2.8Å; F1184-G1186 PolarHBondContact O-N 3.03Å |
| 1187 | H | 84.9 | Confident | 90.7 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 21% | 0.208 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147 | 171.5 | -58.1 | 80.2 | 0 | 0 | 0 | 108.8 | K1046 S1183 F1184 Q1185 F1208 | K1046-H1187 PolarHBondContact NZ-CD2 2.92Å; K1046-H1187 VanDerWaalsContact NZ-CD2 3.3Å; K1046-H1187 PolarHBondContact NZ-NE2 2.89Å; S1183-H1187 CarbonylContact C-O 3.52Å; S1183-H1187 WeakPolarHBondContact CA-O 3.5Å; F1184-H1187 PolarHBondContact N-O 3.32Å; F1184-H1187 WeakPolarHBondContact O-CB 3.45Å; F1184-H1187 PolarHBondContact O-N 2.85Å; Q1185-H1187 VanDerWaalsContact C-N 3.34Å; Q1185-H1187 PolarHBondContact O-N 3.46Å; Q1185-H1187 PolarHBondContact O-ND1 2.8Å; H1187-F1208 HydrophobicContact CB-CD1 3.61Å; H1187-F1208 HydrophobicContact CB-CE1 3.99Å |
| 1188 | S | 88.1 | Confident | 90.3 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 151 | 169.1 | 56.5 | 0 | 0 | 0 | 0 | 111 | D633 L635 C1182 S1183 | D633-S1188 PolarHBondContact OD1-OG 2.89Å; D633-S1188 VanDerWaalsContact OD2-CB 3.28Å; D633-S1188 WeakPolarHBondContact OD2-CB 3.22Å; D633-S1188 PolarHBondContact OD2-OG 3.32Å; L635-S1188 WeakPolarHBondContact CB-OG 3.03Å; C1182-S1188 CarbonylContact O-C 3.46Å; C1182-S1188 WeakPolarHBondContact O-CA 3.15Å; C1182-S1188 WeakPolarHBondContact O-CB 3.21Å; S1183-S1188 WeakPolarHBondContact OG-CB 3.42Å |
| 1189 | Q | 88.6 | Confident | 89.9 | Confident | 59 Ų | 59 | 36.7 Ų | 36.7 | 28% | 0.276 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156.1 | 175.1 | -69 | -173.9 | 27.7 | 0 | 0 | 109.4 | C1182 L1206 I1207 F1208 | C1182-Q1189 PolarHBondContact N-O 3.48Å; C1182-Q1189 PolarHBondContact O-N 2.82Å; Q1189-L1206 HydrophobicContact CB-CB 4.34Å; Q1189-L1206 HydrophobicContact CB-CD1 4.13Å; Q1189-L1206 HydrophobicContact CB-CD2 4.38Å; Q1189-I1207 PolarHBondContact NE2-O 3.46Å; Q1189-F1208 HydrophobicContact CB-CE1 4.2Å; Q1189-F1208 HydrophobicContact CB-CE2 4.43Å; Q1189-F1208 HydrophobicContact CB-CZ 3.83Å; Q1189-F1208 HydrophobicContact CG-CD1 4.39Å; Q1189-F1208 HydrophobicContact CG-CE1 3.89Å; Q1189-F1208 HydrophobicContact CG-CZ 3.95Å |
| 1190 | E | 92 | Very high | 89.6 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 31% | 0.308 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.4 | 177.6 | -80.6 | 162.8 | -175.2 | 0 | 0 | 110.3 | L635 F1179 V1180 R1181 | L635-E1190 HydrophobicContact CD2-CB 4.31Å; L635-E1190 HydrophobicContact CD2-CG 3.69Å; F1179-E1190 HydrophobicContact CD2-CB 4.36Å; F1179-E1190 HydrophobicContact CD2-CG 3.96Å; F1179-E1190 HydrophobicContact CE2-CG 3.93Å; V1180-E1190 VanDerWaalsContact O-CA 3.25Å; V1180-E1190 WeakPolarHBondContact O-CA 3.31Å; R1181-E1190 HydrophobicContact CB-CG 3.99Å; R1181-E1190 HydrophobicContact CG-CG 4.12Å; R1181-E1190 IonicContact CZ-OE1 2.72Å; R1181-E1190 IonicContact NE-OE1 3.17Å; R1181-E1190 PolarHBondContact NE-OE1 2.82Å; R1181-E1190 IonicContact NH2-OE1 3.77Å; R1181-E1190 PolarHBondContact NH2-OE1 2.8Å |
| 1191 | T | 94.5 | Very high | 89.3 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | trans | -75.7 | 174.8 | 166.8 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | I1161 V1180 W1202 E1204 L1206 | I1161-T1191 HydrophobicContact CB-CG2 4.08Å; I1161-T1191 HydrophobicContact CG1-CG2 4.25Å; I1161-T1191 HydrophobicContact CG2-CG2 3.93Å; V1180-T1191 HydrophobicContact CB-CG2 3.95Å; V1180-T1191 PolarHBondContact N-OG1 2.98Å; V1180-T1191 PolarHBondContact O-N 3.35Å; T1191-W1202 VanDerWaalsContact CB-CD1 3.49Å; T1191-W1202 HydrophobicContact CG2-CG 4.22Å; T1191-W1202 PolarHBondContact OG1-NE1 2.99Å; T1191-W1202 VanDerWaalsContact OG1-NE1 3.13Å; T1191-E1204 WeakPolarHBondContact CA-OE2 3.29Å; T1191-L1206 HydrophobicContact CG2-CD1 4.08Å; T1191-L1206 HydrophobicContact CG2-CD2 4.36Å; T1191-L1206 HydrophobicContact CG2-CG 4.41Å | ||
| 1192 | Q | 92.5 | Very high | 89.2 | Confident | 97 Ų | 97 | 39.9 Ų | 39.9 | 45% | 0.453 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 155.9 | 165.8 | -68.4 | -172.9 | -19.2 | 0 | 0 | 112.4 | W1202 E1204 L1303 | Q1192-W1202 PolarHBondContact O-NE1 3.39Å; Q1192-E1204 VanDerWaalsContact CB-OE1 3.25Å; Q1192-E1204 WeakPolarHBondContact CB-OE1 3.43Å; Q1192-E1204 WeakPolarHBondContact CG-OE1 3.34Å; Q1192-E1204 PolarHBondContact N-OE1 3.47Å; Q1192-E1204 PolarHBondContact N-OE2 3.45Å; Q1192-L1303 HydrophobicContact CG-CD1 3.72Å; Q1192-L1303 HydrophobicContact CG-CD2 4.12Å; Q1192-L1303 HydrophobicContact CG-CG 4.46Å |
| 1193 | I | 92.9 | Very high | 89 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 35% | 0.349 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -80.9 | 120.8 | 169.8 | -61.1 | 156.8 | 0 | 0 | 0 | 107.7 | D1177 F1179 Y1234 | D1177-I1193 HydrophobicContact CB-CG2 3.95Å; F1179-I1193 HydrophobicContact CB-CG1 3.96Å; F1179-I1193 HydrophobicContact CD1-CG1 4.06Å; F1179-I1193 HydrophobicContact CG-CG1 4.17Å; I1193-Y1234 HydrophobicContact CD1-CD1 3.96Å; I1193-Y1234 HydrophobicContact CD1-CD2 3.55Å; I1193-Y1234 HydrophobicContact CD1-CE1 4.36Å; I1193-Y1234 HydrophobicContact CD1-CE2 4Å; I1193-Y1234 HydrophobicContact CD1-CG 3.52Å; I1193-Y1234 HydrophobicContact CG1-CD2 4.47Å; I1193-Y1234 HydrophobicContact CG1-CG 4.2Å; I1193-Y1234 HydrophobicContact CG2-CD1 4.3Å; I1193-Y1234 HydrophobicContact CG2-CG 4.21Å |
| 1194 | I | 90.9 | Very high | 89 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -98.9 | 116.5 | 172.6 | -53.2 | -59.4 | 0 | 0 | 0 | 107.6 | D1177 P1178 T1197 P1200 W1202 | D1177-I1194 CarbonylContact C-O 3.53Å; D1177-I1194 WeakPolarHBondContact CA-O 3.32Å; P1178-I1194 WeakPolarHBondContact CD-O 3.43Å; P1178-I1194 PolarHBondContact O-N 2.86Å; P1178-I1194 VanDerWaalsContact O-N 3.12Å; I1194-T1197 HydrophobicContact CB-CG2 4.12Å; I1194-T1197 HydrophobicContact CG2-CG2 3.57Å; I1194-P1200 HydrophobicContact CB-CB 4.03Å; I1194-P1200 HydrophobicContact CG1-CB 4.12Å; I1194-P1200 HydrophobicContact CG2-CB 4.33Å; I1194-W1202 HydrophobicContact CG1-CG 4.42Å |
| 1195 | Q | 89.1 | Confident | 89 | Confident | 146 Ų | 146 | 41 Ų | 41 | 68% | 0.682 | 20% | 0.202 | S | C | * | . | P | Polyproline II helix | trans | -78.2 | 142.7 | -173.4 | -66.1 | 180 | -20.7 | 0 | 0 | 112.4 | D1177 | D1177-Q1195 WeakPolarHBondContact OD1-CA 3.36Š|
| 1196 | Q | 84.2 | Confident | 89.3 | Confident | 123 Ų | 123 | 39.9 Ų | 39.9 | 58% | 0.575 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 52.2 | 58.7 | 169.1 | -60.6 | -168.8 | -15.2 | 0 | 0 | 114 | L1175 S1176 D1177 | L1175-Q1196 HydrophobicContact CD1-CB 3.92Å; L1175-Q1196 WeakPolarHBondContact CD1-O 3.47Å; S1176-Q1196 CarbonylContact O-C 3.56Å; S1176-Q1196 VanDerWaalsContact O-CA 3.3Å; S1176-Q1196 WeakPolarHBondContact O-CA 3.42Å; S1176-Q1196 PolarHBondContact O-N 3.45Å; S1176-Q1196 VanDerWaalsContact O-N 3.14Å; D1177-Q1196 PolarHBondContact OD1-N 3.25Å |
| 1197 | T | 86 | Confident | 89.5 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | trans | -149.8 | 151.1 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 113.5 | S1176 P1178 I1194 C1199 P1200 | S1176-T1197 PolarHBondContact O-N 3.01Å; S1176-T1197 VanDerWaalsContact O-O 3.12Å; P1178-T1197 WeakPolarHBondContact CD-O 3.34Å; P1178-T1197 HydrophobicContact CG-CG2 3.83Å; I1194-T1197 HydrophobicContact CB-CG2 4.12Å; I1194-T1197 HydrophobicContact CG2-CG2 3.57Å; T1197-C1199 PolarHBondContact OG1-N 2.91Å; T1197-P1200 HydrophobicContact CG2-CB 3.77Å | ||
| 1198 | L | 84 | Confident | 89.7 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -104.7 | -2.6 | 168.3 | -56.2 | -176.8 | 0 | 0 | 0 | 112.5 | S1166 V1167 A1169 L1175 P1200 | S1166-L1198 PolarHBondContact N-O 3.05Å; V1167-L1198 VanDerWaalsContact CB-O 3.3Å; V1167-L1198 WeakPolarHBondContact CB-O 3.45Å; V1167-L1198 WeakPolarHBondContact CG2-O 3.21Å; V1167-L1198 PolarHBondContact N-O 3.36Å; V1167-L1198 WeakPolarHBondContact O-CD2 3.41Å; A1169-L1198 HydrophobicContact CB-CD1 4.31Å; A1169-L1198 HydrophobicContact CB-CD2 3.89Å; L1175-L1198 HydrophobicContact CD2-CD1 4.35Å; L1175-L1198 HydrophobicContact CD2-CG 3.91Å; L1198-P1200 VanDerWaalsContact C-CD 3.46Å |
| 1199 | C | 86.3 | Confident | 89.1 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 8% | 0.081 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -134 | 59.2 | -176.2 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | A1164 T1197 P1385 N1387 V1406 | A1164-C1199 CarbonylContact O-C 3.53Å; A1164-C1199 VanDerWaalsContact O-CA 3.22Å; A1164-C1199 WeakPolarHBondContact O-CA 3.42Å; T1197-C1199 PolarHBondContact OG1-N 2.91Å; C1199-P1385 HydrophobicContact CB-CG 3.51Å; C1199-P1385 WeakPolarHBondContact SG-CG 3.32Å; C1199-N1387 PolarHBondContact SG-OD1 2.68Å; C1199-V1406 WeakPolarHBondContact SG-CG1 3.39Å |
| 1200 | P | 90 | Very high | 88.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | trans | -66.5 | 143.9 | -174.7 | 29.4 | -37.3 | 0 | 0 | 0 | 112.3 | Q1163 A1164 P1178 I1194 T1197 L1198 W1202 | Q1163-P1200 CarbonylContact C-O 3.6Å; Q1163-P1200 WeakPolarHBondContact CA-O 3.07Å; Q1163-P1200 WeakPolarHBondContact CB-O 3.36Å; A1164-P1200 HydrophobicContact CB-CG 3.95Å; A1164-P1200 PolarHBondContact N-O 3.48Å; P1178-P1200 HydrophobicContact CB-CG 4.05Å; P1178-P1200 HydrophobicContact CG-CB 3.67Å; P1178-P1200 HydrophobicContact CG-CG 3.55Å; I1194-P1200 HydrophobicContact CB-CB 4.03Å; I1194-P1200 HydrophobicContact CG1-CB 4.12Å; I1194-P1200 HydrophobicContact CG2-CB 4.33Å; T1197-P1200 HydrophobicContact CG2-CB 3.77Å; L1198-P1200 VanDerWaalsContact C-CD 3.46Å; P1200-W1202 HydrophobicContact CB-CD2 4.4Å; P1200-W1202 HydrophobicContact CB-CE3 4.47Å; P1200-W1202 HydrophobicContact CB-CH2 3.88Å; P1200-W1202 HydrophobicContact CB-CZ2 3.74Å; P1200-W1202 HydrophobicContact CB-CZ3 4.24Å; P1200-W1202 HydrophobicContact CG-CE3 4.41Å; P1200-W1202 HydrophobicContact CG-CH2 3.21Å; P1200-W1202 HydrophobicContact CG-CZ2 3.52Å; P1200-W1202 HydrophobicContact CG-CZ3 3.71Å | ||
| 1201 | I | 89.5 | Confident | 88.1 | Confident | 68 Ų | 68 | 39.9 Ų | 39.9 | 35% | 0.349 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 109.3 | 170.2 | -55.7 | 175.4 | 0 | 0 | 0 | 107.1 | Q1163 D1203 | Q1163-I1201 HydrophobicContact CB-CB 4.38Å; Q1163-I1201 HydrophobicContact CB-CG1 3.97Å; Q1163-I1201 HydrophobicContact CB-CG2 4.48Å; I1201-D1203 HydrophobicContact CG2-CB 4.37Å |
| 1202 | W | 91.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 4% | 0.038 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -47.5 | 175.7 | -63.1 | -81 | 0 | 0 | 0 | 110.7 | I1161 F1162 A1164 P1178 V1180 T1191 Q1192 I1194 P1200 E1204 L1231 | I1161-W1202 HydrophobicContact CG2-CD2 4.23Å; I1161-W1202 HydrophobicContact CG2-CE3 3.75Å; I1161-W1202 HydrophobicContact CG2-CZ3 4.3Å; F1162-W1202 PolarHBondContact O-N 2.94Å; A1164-W1202 HydrophobicContact CB-CH2 3.87Å; A1164-W1202 HydrophobicContact CB-CZ3 3.69Å; P1178-W1202 HydrophobicContact CB-CZ2 4.19Å; V1180-W1202 HydrophobicContact CG2-CE3 4.44Å; V1180-W1202 HydrophobicContact CG2-CH2 3.52Å; V1180-W1202 HydrophobicContact CG2-CZ2 3.75Å; V1180-W1202 HydrophobicContact CG2-CZ3 3.91Å; T1191-W1202 VanDerWaalsContact CB-CD1 3.49Å; T1191-W1202 HydrophobicContact CG2-CG 4.22Å; T1191-W1202 PolarHBondContact OG1-NE1 2.99Å; T1191-W1202 VanDerWaalsContact OG1-NE1 3.13Å; Q1192-W1202 PolarHBondContact O-NE1 3.39Å; I1194-W1202 HydrophobicContact CG1-CG 4.42Å; P1200-W1202 HydrophobicContact CB-CD2 4.4Å; P1200-W1202 HydrophobicContact CB-CE3 4.47Å; P1200-W1202 HydrophobicContact CB-CH2 3.88Å; P1200-W1202 HydrophobicContact CB-CZ2 3.74Å; P1200-W1202 HydrophobicContact CB-CZ3 4.24Å; P1200-W1202 HydrophobicContact CG-CE3 4.41Å; P1200-W1202 HydrophobicContact CG-CH2 3.21Å; P1200-W1202 HydrophobicContact CG-CZ2 3.52Å; P1200-W1202 HydrophobicContact CG-CZ3 3.71Å; W1202-E1204 HydrophobicContact CB-CB 4.22Å; W1202-E1204 HydrophobicContact CB-CG 4.13Å; W1202-E1204 PolarHBondContact O-N 3.35Å; W1202-L1231 HydrophobicContact CH2-CD1 3.75Å; W1202-L1231 HydrophobicContact CZ2-CD1 4.08Å |
| 1203 | D | 90.6 | Very high | 87.1 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 42.2 | -173.1 | 176.8 | 36.6 | 0 | 0 | 0 | 111.5 | I1161 F1162 I1201 R1300 N1305 V1306 R1311 | I1161-D1203 PolarHBondContact O-N 3.46Å; F1162-D1203 HydrophobicContact CD2-CB 4.17Å; F1162-D1203 HydrophobicContact CE2-CB 4.17Å; F1162-D1203 PolarHBondContact O-N 3.34Å; I1201-D1203 HydrophobicContact CG2-CB 4.37Å; D1203-R1300 IonicContact OD2-NH2 2.87Å; D1203-R1300 PolarHBondContact OD2-NH2 3.15Å; D1203-N1305 WeakPolarHBondContact O-CA 3.49Å; D1203-V1306 PolarHBondContact O-N 2.74Å; D1203-V1306 WeakPolarHBondContact OD1-CB 3.21Å; D1203-V1306 PolarHBondContact OD1-N 3.04Å; D1203-R1311 IonicContact OD1-CZ 2.71Å; D1203-R1311 VanDerWaalsContact OD1-CZ 3.26Å; D1203-R1311 IonicContact OD1-NE 2.99Å; D1203-R1311 PolarHBondContact OD1-NE 3.02Å; D1203-R1311 IonicContact OD1-NH2 2.63Å; D1203-R1311 PolarHBondContact OD1-NH2 3.48Å; D1203-R1311 IonicContact OD2-CZ 2.65Å; D1203-R1311 IonicContact OD2-NE 2.73Å; D1203-R1311 IonicContact OD2-NH2 3.98Å; D1203-R1311 PolarHBondContact OD2-NH2 3.11Å |
| 1204 | E | 93.4 | Very high | 86.6 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.8 | -174.7 | -73.5 | -178 | -133.5 | 0 | 0 | 112 | I1161 T1191 Q1192 W1202 L1303 F1304 | I1161-E1204 PolarHBondContact N-O 3.45Å; I1161-E1204 PolarHBondContact O-N 3.15Å; T1191-E1204 WeakPolarHBondContact CA-OE2 3.29Å; Q1192-E1204 VanDerWaalsContact CB-OE1 3.25Å; Q1192-E1204 WeakPolarHBondContact CB-OE1 3.43Å; Q1192-E1204 WeakPolarHBondContact CG-OE1 3.34Å; Q1192-E1204 PolarHBondContact N-OE1 3.47Å; Q1192-E1204 PolarHBondContact N-OE2 3.45Å; W1202-E1204 HydrophobicContact CB-CB 4.22Å; W1202-E1204 HydrophobicContact CB-CG 4.13Å; W1202-E1204 PolarHBondContact O-N 3.35Å; E1204-L1303 HydrophobicContact CG-CD1 4.01Å; E1204-F1304 CarbonylContact C-O 3.46Å; E1204-F1304 WeakPolarHBondContact CA-O 3.31Å |
| 1205 | T | 92.5 | Very high | 86 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 112.9 | 166.9 | -55.7 | 0 | 0 | 0 | 0 | 109.1 | R1158 A1159 Y1160 I1207 P1297 F1304 N1305 V1306 | R1158-T1205 HydrophobicContact CB-CG2 4.21Å; A1159-T1205 CarbonylContact O-C 3.49Å; A1159-T1205 WeakPolarHBondContact O-CA 3.3Å; Y1160-T1205 HydrophobicContact CD1-CG2 3.69Å; Y1160-T1205 WeakPolarHBondContact CD1-OG1 3.44Å; Y1160-T1205 HydrophobicContact CE1-CG2 3.56Å; T1205-I1207 HydrophobicContact CG2-CG1 3.91Å; T1205-P1297 HydrophobicContact CG2-CG 4.17Å; T1205-F1304 PolarHBondContact N-O 3.4Å; T1205-N1305 PolarHBondContact OG1-O 2.75Å; T1205-V1306 WeakPolarHBondContact OG1-CA 3.36Å |
| 1206 | L | 92.1 | Very high | 85.7 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.6 | 169.9 | -53.6 | 178.8 | 0 | 0 | 0 | 108.8 | A1159 I1161 C1182 Q1189 T1191 F1208 | A1159-L1206 HydrophobicContact CB-CB 4.22Å; A1159-L1206 PolarHBondContact N-O 2.97Å; A1159-L1206 PolarHBondContact O-N 2.94Å; I1161-L1206 HydrophobicContact CG1-CD1 4.25Å; I1161-L1206 HydrophobicContact CG1-CG 4.46Å; C1182-L1206 HydrophobicContact CB-CD1 3.72Å; Q1189-L1206 HydrophobicContact CB-CB 4.34Å; Q1189-L1206 HydrophobicContact CB-CD1 4.13Å; Q1189-L1206 HydrophobicContact CB-CD2 4.38Å; T1191-L1206 HydrophobicContact CG2-CD1 4.08Å; T1191-L1206 HydrophobicContact CG2-CD2 4.36Å; T1191-L1206 HydrophobicContact CG2-CG 4.41Å; L1206-F1208 HydrophobicContact CB-CE2 4Å |
| 1207 | I | 86.6 | Confident | 85.9 | Confident | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.062 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 110.2 | -173 | -57.6 | -175.9 | 0 | 0 | 0 | 109.3 | H1156 Q1189 T1205 E1209 F1304 | H1156-I1207 WeakPolarHBondContact CE1-CG2 3.35Å; H1156-I1207 WeakPolarHBondContact NE2-CG2 3.38Å; Q1189-I1207 PolarHBondContact NE2-O 3.46Å; T1205-I1207 HydrophobicContact CG2-CG1 3.91Å; I1207-E1209 HydrophobicContact CG2-CG 3.75Å; I1207-F1304 HydrophobicContact CD1-CB 4.35Å; I1207-F1304 HydrophobicContact CD1-CD1 3.92Å; I1207-F1304 HydrophobicContact CD1-CD2 3.63Å; I1207-F1304 HydrophobicContact CD1-CE1 3.99Å; I1207-F1304 HydrophobicContact CD1-CE2 3.72Å; I1207-F1304 HydrophobicContact CD1-CG 3.71Å; I1207-F1304 HydrophobicContact CD1-CZ 3.87Å; I1207-F1304 HydrophobicContact CG1-CD2 4.08Å; I1207-F1304 HydrophobicContact CG1-CE2 4.35Å; I1207-F1304 HydrophobicContact CG1-CG 4.44Å |
| 1208 | F | 87.5 | Confident | 85.9 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 107.9 | 175.2 | -60.9 | -104 | 0 | 0 | 0 | 109.2 | L1157 A1159 C1182 H1187 Q1189 L1206 I1211 | L1157-F1208 HydrophobicContact CB-CB 4.07Å; L1157-F1208 HydrophobicContact CB-CD2 4.42Å; L1157-F1208 HydrophobicContact CD2-CD2 3.86Å; L1157-F1208 HydrophobicContact CD2-CE2 4.25Å; L1157-F1208 HydrophobicContact CD2-CG 4.25Å; L1157-F1208 HydrophobicContact CG-CD2 4.21Å; L1157-F1208 PolarHBondContact N-O 2.74Å; L1157-F1208 PolarHBondContact O-N 2.93Å; A1159-F1208 HydrophobicContact CB-CE2 4.4Å; C1182-F1208 HydrophobicContact CB-CE2 4.42Å; C1182-F1208 HydrophobicContact CB-CZ 4.02Å; H1187-F1208 HydrophobicContact CB-CD1 3.61Å; H1187-F1208 HydrophobicContact CB-CE1 3.99Å; Q1189-F1208 HydrophobicContact CB-CE1 4.2Å; Q1189-F1208 HydrophobicContact CB-CE2 4.43Å; Q1189-F1208 HydrophobicContact CB-CZ 3.83Å; Q1189-F1208 HydrophobicContact CG-CD1 4.39Å; Q1189-F1208 HydrophobicContact CG-CE1 3.89Å; Q1189-F1208 HydrophobicContact CG-CZ 3.95Å; L1206-F1208 HydrophobicContact CB-CE2 4Å; F1208-I1211 HydrophobicContact CB-CD1 3.53Å; F1208-I1211 HydrophobicContact CB-CG1 4.14Å |
| 1209 | E | 77 | Confident | 85.9 | Confident | 100 Ų | 100 | 33.4 Ų | 33.4 | 47% | 0.467 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 147.3 | -176 | -57.1 | -172.8 | 163.3 | 0 | 0 | 112.2 | I1207 I1211 | I1207-E1209 HydrophobicContact CG2-CG 3.75Å; E1209-I1211 PolarHBondContact O-N 2.77Å |
| 1210 | H | 73.3 | Confident | 86 | Confident | 77 Ų | 77 | 33.2 Ų | 33.2 | 36% | 0.356 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.2 | 46.8 | 173.3 | -60.1 | -13.6 | 0 | 0 | 0 | 113.6 | Q1047 E1212 | Q1047-H1210 PolarHBondContact NE2-CD2 2.81Å; H1210-E1212 PolarHBondContact O-N 3.43Å |
| 1211 | I | 85.2 | Confident | 86 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 106.8 | 173.8 | -60.7 | 158.2 | 0 | 0 | 0 | 108.5 | W1155 L1157 F1184 Q1185 F1208 E1209 M1213 | W1155-I1211 WeakPolarHBondContact CA-O 3.39Å; W1155-I1211 HydrophobicContact CB-CB 4.18Å; W1155-I1211 WeakPolarHBondContact CB-O 3.34Å; W1155-I1211 PolarHBondContact N-O 3.17Å; W1155-I1211 PolarHBondContact O-N 2.64Å; L1157-I1211 HydrophobicContact CB-CD1 3.57Å; F1184-I1211 HydrophobicContact CD1-CD1 3.7Å; F1184-I1211 HydrophobicContact CD1-CG2 4.35Å; F1184-I1211 HydrophobicContact CE1-CD1 3.89Å; F1184-I1211 HydrophobicContact CE1-CG2 4.05Å; Q1185-I1211 HydrophobicContact CB-CG2 4.04Å; F1208-I1211 HydrophobicContact CB-CD1 3.53Å; F1208-I1211 HydrophobicContact CB-CG1 4.14Å; E1209-I1211 PolarHBondContact O-N 2.77Å; I1211-M1213 HydrophobicContact CG2-CE 4.26Å; I1211-M1213 HydrophobicContact CG2-CG 4.18Å; I1211-M1213 HydrophobicContact CG2-SD 4.45Å |
| 1212 | E | 79.7 | Confident | 85.8 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 29% | 0.29 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126 | 179.2 | -172.5 | 173.6 | -166.2 | 0 | 0 | 111.3 | I1054 S1152 H1153 H1210 | I1054-E1212 WeakPolarHBondContact CD1-OE2 3.42Å; S1152-E1212 WeakPolarHBondContact CB-OE1 3.48Å; S1152-E1212 WeakPolarHBondContact OG-CG 3.5Å; S1152-E1212 PolarHBondContact OG-OE1 3.43Å; H1153-E1212 WeakPolarHBondContact O-CA 3.24Å; H1210-E1212 PolarHBondContact O-N 3.43Å |
| 1213 | M | 86.4 | Confident | 85.6 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 7% | 0.069 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.1 | 176.8 | -68.5 | -176.2 | -72.3 | 0 | 0 | 110.5 | H1153 W1155 F1184 Q1185 I1211 I1220 P1225 L1285 | H1153-M1213 PolarHBondContact N-O 3.07Å; H1153-M1213 PolarHBondContact O-N 3.24Å; W1155-M1213 HydrophobicContact CB-CE 3.83Å; W1155-M1213 HydrophobicContact CD2-CE 3.76Å; W1155-M1213 HydrophobicContact CG-CE 3.34Å; F1184-M1213 HydrophobicContact CE1-CE 4.44Å; Q1185-M1213 HydrophobicContact CG-SD 3.84Å; I1211-M1213 HydrophobicContact CG2-CE 4.26Å; I1211-M1213 HydrophobicContact CG2-CG 4.18Å; I1211-M1213 HydrophobicContact CG2-SD 4.45Å; M1213-I1220 HydrophobicContact CB-CD1 3.99Å; M1213-I1220 HydrophobicContact CE-CD1 4.19Å; M1213-I1220 HydrophobicContact SD-CD1 4.38Å; M1213-P1225 HydrophobicContact SD-CG 3.98Å; M1213-L1285 HydrophobicContact CE-CD1 4.2Å; M1213-L1285 HydrophobicContact CE-CD2 4.06Å |
| 1214 | C | 82.7 | Confident | 85.7 | Confident | 21 Ų | 21 | 40 Ų | 40 | 14% | 0.142 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 150.4 | 176.4 | -45.4 | 0 | 0 | 0 | 0 | 111.3 | F1149 | F1149-C1214 HydrophobicContact CB-CB 3.75Å; F1149-C1214 HydrophobicContact CD1-CB 3.75Å; F1149-C1214 HydrophobicContact CD2-CB 3.87Å; F1149-C1214 HydrophobicContact CE1-CB 4.32Å; F1149-C1214 HydrophobicContact CE2-CB 4.44Å; F1149-C1214 HydrophobicContact CG-CB 3.5Å |
| 1215 | G | 78 | Confident | 85.7 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 103.2 | 167.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E867 H1153 P1217 | E867-G1215 VanDerWaalsContact OE2-CA 3.27Å; E867-G1215 WeakPolarHBondContact OE2-CA 3.49Å; H1153-G1215 PolarHBondContact CD2-O 3.47Å; H1153-G1215 VanDerWaalsContact CD2-O 3.28Å; G1215-P1217 WeakPolarHBondContact O-CD 3.41Å |
| 1216 | D | 84 | Confident | 85.8 | Confident | 53 Ų | 53 | 40.4 Ų | 40.4 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | trans | -61.5 | 124.5 | -169.6 | -175.9 | -15.2 | 0 | 0 | 0 | 109.3 | E867 K1218 T1219 I1220 | E867-D1216 WeakPolarHBondContact OE1-CA 3.39Å; E867-D1216 VanDerWaalsContact OE1-CB 3.3Å; E867-D1216 WeakPolarHBondContact OE1-CB 3.32Å; E867-D1216 VanDerWaalsContact OE2-CA 3.28Å; E867-D1216 WeakPolarHBondContact OE2-CA 3.35Å; E867-D1216 PolarHBondContact OE2-N 3.12Å; D1216-K1218 PolarHBondContact O-N 2.92Å; D1216-K1218 WeakPolarHBondContact OD1-CB 3.23Å; D1216-K1218 WeakPolarHBondContact OD1-CG 3.41Å; D1216-K1218 PolarHBondContact OD1-N 3.48Å; D1216-T1219 WeakPolarHBondContact O-CA 3.3Å; D1216-T1219 WeakPolarHBondContact O-CB 3.47Å; D1216-T1219 PolarHBondContact O-N 3.39Å; D1216-I1220 PolarHBondContact O-N 3.49Å | ||
| 1217 | P | 88 | Confident | 86 | Confident | 14 Ų | 14 | 40 Ų | 40 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.5 | -27.5 | 174.8 | -27.7 | 35.2 | 0 | 0 | 0 | 114.1 | W1155 G1215 T1219 I1220 L1221 L1254 L1287 | W1155-P1217 HydrophobicContact CH2-CB 4.12Å; W1155-P1217 HydrophobicContact CZ2-CB 3.89Å; W1155-P1217 HydrophobicContact CZ2-CG 4.44Å; G1215-P1217 WeakPolarHBondContact O-CD 3.41Å; P1217-T1219 VanDerWaalsContact C-N 3.34Å; P1217-I1220 PolarHBondContact O-N 2.93Å; P1217-L1221 PolarHBondContact O-N 3.41Å; P1217-L1254 HydrophobicContact CB-CD2 3.67Å; P1217-L1287 HydrophobicContact CB-CD2 3.96Å; P1217-L1287 HydrophobicContact CG-CD1 4.44Å; P1217-L1287 HydrophobicContact CG-CD2 3.99Å |
| 1218 | K | 86.5 | Confident | 86.4 | Confident | 142 Ų | 142 | 39.4 Ų | 39.4 | 62% | 0.617 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -66.8 | -33.2 | 173.3 | -64.8 | 177.6 | -179.1 | 174.6 | 0 | 113.1 | D1216 I1220 L1221 S1222 L1254 | D1216-K1218 PolarHBondContact O-N 2.92Å; D1216-K1218 WeakPolarHBondContact OD1-CB 3.23Å; D1216-K1218 WeakPolarHBondContact OD1-CG 3.41Å; D1216-K1218 PolarHBondContact OD1-N 3.48Å; K1218-I1220 VanDerWaalsContact C-N 3.35Å; K1218-L1221 WeakPolarHBondContact O-CB 3.35Å; K1218-L1221 PolarHBondContact O-N 3.08Å; K1218-S1222 PolarHBondContact O-N 3.19Å; K1218-L1254 HydrophobicContact CG-CD1 4.42Å |
| 1219 | T | 83.7 | Confident | 86.8 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 39% | 0.393 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.5 | -33.7 | 174.8 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | D1216 P1217 L1221 S1222 D1223 | D1216-T1219 WeakPolarHBondContact O-CA 3.3Å; D1216-T1219 WeakPolarHBondContact O-CB 3.47Å; D1216-T1219 PolarHBondContact O-N 3.39Å; P1217-T1219 VanDerWaalsContact C-N 3.34Å; T1219-L1221 VanDerWaalsContact C-N 3.34Å; T1219-S1222 PolarHBondContact O-N 3.31Å; T1219-S1222 PolarHBondContact O-OG 3.05Å; T1219-D1223 PolarHBondContact O-N 2.81Å |
| 1220 | I | 88.5 | Confident | 87.6 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.1 | -34.9 | 173 | -65.5 | 175.1 | 0 | 0 | 0 | 110.8 | W1155 M1213 D1216 P1217 K1218 D1223 P1224 V1252 L1285 | W1155-I1220 HydrophobicContact CH2-CB 4.16Å; W1155-I1220 HydrophobicContact CH2-CG2 3.84Å; W1155-I1220 HydrophobicContact CZ2-CB 3.96Å; W1155-I1220 HydrophobicContact CZ2-CD1 3.6Å; W1155-I1220 HydrophobicContact CZ2-CG1 4.35Å; W1155-I1220 HydrophobicContact CZ2-CG2 3.85Å; W1155-I1220 HydrophobicContact CZ3-CG2 4.43Å; M1213-I1220 HydrophobicContact CB-CD1 3.99Å; M1213-I1220 HydrophobicContact CE-CD1 4.19Å; M1213-I1220 HydrophobicContact SD-CD1 4.38Å; D1216-I1220 PolarHBondContact O-N 3.49Å; P1217-I1220 PolarHBondContact O-N 2.93Å; K1218-I1220 VanDerWaalsContact C-N 3.35Å; I1220-D1223 CarbonylContact O-C 3.58Å; I1220-P1224 WeakPolarHBondContact O-CA 3.32Å; I1220-P1224 WeakPolarHBondContact O-CG 3.46Å; I1220-P1224 VanDerWaalsContact O-N 3.16Å; I1220-V1252 HydrophobicContact CG2-CG1 4.38Å; I1220-L1285 HydrophobicContact CG2-CD2 3.94Å |
| 1221 | L | 89.2 | Confident | 88.6 | Confident | 83 Ų | 83 | 31.1 Ų | 31.1 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 174 | 176.8 | 65.2 | 0 | 0 | 0 | 112.2 | P1217 K1218 T1219 V1252 L1254 | P1217-L1221 PolarHBondContact O-N 3.41Å; K1218-L1221 WeakPolarHBondContact O-CB 3.35Å; K1218-L1221 PolarHBondContact O-N 3.08Å; T1219-L1221 VanDerWaalsContact C-N 3.34Å; L1221-V1252 HydrophobicContact CB-CG1 4.23Å; L1221-V1252 HydrophobicContact CD1-CB 3.74Å; L1221-V1252 HydrophobicContact CD1-CG1 4.09Å; L1221-L1254 HydrophobicContact CD2-CD1 3.94Å; L1221-L1254 HydrophobicContact CD2-CG 4.36Å |
| 1222 | S | 85.6 | Confident | 89 | Confident | 75 Ų | 75 | 31.2 Ų | 31.2 | 52% | 0.524 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.3 | -43.1 | 177.8 | 64 | 0 | 0 | 0 | 0 | 112.4 | K1218 T1219 | K1218-S1222 PolarHBondContact O-N 3.19Å; T1219-S1222 PolarHBondContact O-N 3.31Å; T1219-S1222 PolarHBondContact O-OG 3.05Å |
| 1223 | D | 88.1 | Confident | 89.6 | Confident | 59 Ų | 59 | 28.3 Ų | 28.3 | 32% | 0.316 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -130.7 | 71.3 | -173.4 | -60.5 | -81.8 | 0 | 0 | 0 | 111.2 | T820 R847 T1219 I1220 | T820-D1223 HydrophobicContact CG2-CB 4.33Å; T820-D1223 VanDerWaalsContact CG2-CG 3.41Å; T820-D1223 VanDerWaalsContact CG2-OD2 3.25Å; T820-D1223 WeakPolarHBondContact CG2-OD2 3.47Å; R847-D1223 PolarHBondContact NH1-O 2.97Å; R847-D1223 PolarHBondContact NH2-O 3.08Å; T1219-D1223 PolarHBondContact O-N 2.81Å; I1220-D1223 CarbonylContact O-C 3.58Å |
| 1224 | P | 92.4 | Very high | 89.9 | Confident | 24 Ų | 24 | 31.7 Ų | 31.7 | 16% | 0.156 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 145.8 | -174 | -13.4 | 26.8 | 0 | 0 | 0 | 111 | I1220 T1249 P1250 V1252 | I1220-P1224 WeakPolarHBondContact O-CA 3.32Å; I1220-P1224 WeakPolarHBondContact O-CG 3.46Å; I1220-P1224 VanDerWaalsContact O-N 3.16Å; P1224-T1249 HydrophobicContact CB-CG2 3.76Å; P1224-T1249 HydrophobicContact CG-CG2 3.51Å; P1224-P1250 HydrophobicContact CB-CG 4.15Å; P1224-V1252 HydrophobicContact CB-CG2 3.63Å; P1224-V1252 HydrophobicContact CG-CG2 3.56Å |
| 1225 | P | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 138.3 | 168.8 | -5.8 | 15.5 | 0 | 0 | 0 | 110.8 | R847 F1184 Q1185 M1213 P1250 | R847-P1225 VanDerWaalsContact CZ-CG 3.46Å; F1184-P1225 HydrophobicContact CE2-CB 3.74Å; F1184-P1225 HydrophobicContact CE2-CG 4.1Å; F1184-P1225 WeakPolarHBondContact CE2-O 3.39Å; F1184-P1225 HydrophobicContact CZ-CB 4.12Å; F1184-P1225 HydrophobicContact CZ-CG 3.96Å; Q1185-P1225 HydrophobicContact CG-CB 4.36Å; Q1185-P1225 HydrophobicContact CG-CG 4.31Å; M1213-P1225 HydrophobicContact SD-CG 3.98Å; P1225-P1250 WeakPolarHBondContact O-CD 3.24Å |
| 1226 | P | 94.8 | Very high | 89.7 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 144.5 | 176.1 | 30.4 | -33.6 | 0 | 0 | 0 | 110.2 | T823 Q1247 I1248 | T823-P1226 HydrophobicContact CG2-CG 3.82Å; T823-P1226 VanDerWaalsContact OG1-CD 3.25Å; T823-P1226 WeakPolarHBondContact OG1-CD 3.37Å; P1226-Q1247 HydrophobicContact CB-CB 4.24Å; P1226-Q1247 HydrophobicContact CB-CG 4.38Å; P1226-I1248 CarbonylContact C-O 3.59Å; P1226-I1248 WeakPolarHBondContact CA-O 3.45Å |
| 1227 | V | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.7 | 165.6 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | L1157 C1182 F1184 I1229 I1248 P1250 F1283 | L1157-V1227 HydrophobicContact CD1-CG2 4.11Å; L1157-V1227 HydrophobicContact CD2-CG2 3.96Å; C1182-V1227 WeakPolarHBondContact SG-CG1 3.2Å; F1184-V1227 HydrophobicContact CD2-CB 4.45Å; F1184-V1227 HydrophobicContact CD2-CG2 3.77Å; F1184-V1227 HydrophobicContact CE2-CG2 4.2Å; V1227-I1229 HydrophobicContact CG1-CD1 3.87Å; V1227-I1229 HydrophobicContact CG1-CG1 4.44Å; V1227-I1248 PolarHBondContact N-O 3.4Å; V1227-I1248 PolarHBondContact O-N 2.62Å; V1227-P1250 HydrophobicContact CG2-CB 4.24Å; V1227-P1250 HydrophobicContact CG2-CG 4.24Å; V1227-F1283 HydrophobicContact CB-CD1 4.21Å; V1227-F1283 HydrophobicContact CB-CE1 4.42Å; V1227-F1283 HydrophobicContact CG1-CD1 3.95Å; V1227-F1283 HydrophobicContact CG1-CE1 3.85Å; V1227-F1283 HydrophobicContact CG2-CD1 4.05Å; V1227-F1283 HydrophobicContact CG2-CG 4.44Å |
| 1228 | M | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 124.2 | 175.2 | -68.6 | -61.8 | -56 | 0 | 0 | 109.8 | I842 Q845 C1182 S1183 R1245 Q1247 | I842-M1228 HydrophobicContact CD1-CE 3.8Å; Q845-M1228 PolarHBondContact NE2-SD 3.05Å; C1182-M1228 CarbonylContact C-O 3.45Å; C1182-M1228 WeakPolarHBondContact CA-O 3.35Å; S1183-M1228 PolarHBondContact N-O 3.17Å; S1183-M1228 PolarHBondContact O-N 2.69Å; M1228-R1245 HydrophobicContact CE-CG 3.96Å; M1228-Q1247 HydrophobicContact CE-CG 4.02Å; M1228-Q1247 VanDerWaalsContact SD-CD 3.59Å; M1228-Q1247 HydrophobicContact SD-CG 3.18Å; M1228-Q1247 WeakPolarHBondContact SD-CG 3.49Å; M1228-Q1247 PolarHBondContact SD-NE2 3.36Å |
| 1229 | I | 95.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.2 | 175.8 | -56.2 | -61.6 | 0 | 0 | 0 | 108.7 | I1161 V1180 C1182 V1227 R1245 L1246 I1248 I1279 F1283 | I1161-I1229 HydrophobicContact CD1-CD1 4.46Å; V1180-I1229 HydrophobicContact CG1-CG2 3.7Å; C1182-I1229 HydrophobicContact CB-CD1 3.85Å; C1182-I1229 VanDerWaalsContact SG-CD1 3.56Å; V1227-I1229 HydrophobicContact CG1-CD1 3.87Å; V1227-I1229 HydrophobicContact CG1-CG1 4.44Å; I1229-R1245 CarbonylContact O-C 3.55Å; I1229-R1245 VanDerWaalsContact O-CA 3.25Å; I1229-R1245 WeakPolarHBondContact O-CA 3Å; I1229-L1246 HydrophobicContact CB-CD2 3.68Å; I1229-L1246 HydrophobicContact CB-CG 4Å; I1229-L1246 HydrophobicContact CG2-CD2 3.67Å; I1229-L1246 HydrophobicContact CG2-CG 4.46Å; I1229-L1246 PolarHBondContact N-O 2.8Å; I1229-L1246 PolarHBondContact O-N 2.87Å; I1229-I1248 HydrophobicContact CG1-CD1 4.25Å; I1229-I1279 HydrophobicContact CG2-CD1 4.12Å; I1229-F1283 HydrophobicContact CD1-CE1 3.67Å; I1229-F1283 HydrophobicContact CD1-CZ 3.65Å; I1229-F1283 HydrophobicContact CG1-CE1 4.34Å; I1229-F1283 HydrophobicContact CG1-CZ 3.91Å |
| 1230 | E | 94.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 133.1 | 176.4 | -62.1 | -178.6 | 131 | 0 | 0 | 109.5 | Y637 R1181 F1232 F1242 R1245 | Y637-E1230 WeakPolarHBondContact CE2-OE2 3.37Å; Y637-E1230 PolarHBondContact OH-OE1 2.71Å; Y637-E1230 PolarHBondContact OH-OE2 3Å; R1181-E1230 HydrophobicContact CB-CB 4.46Å; R1181-E1230 PolarHBondContact N-O 3.25Å; R1181-E1230 PolarHBondContact O-N 2.94Å; E1230-F1232 HydrophobicContact CB-CD2 4.26Å; E1230-F1232 HydrophobicContact CB-CE2 3.46Å; E1230-F1232 VanDerWaalsContact CB-CE2 3.46Å; E1230-F1232 HydrophobicContact CB-CZ 4.07Å; E1230-F1242 HydrophobicContact CB-CE2 4.38Å; E1230-F1242 HydrophobicContact CG-CE2 4.48Å; E1230-R1245 HydrophobicContact CG-CB 4.27Å; E1230-R1245 HydrophobicContact CG-CG 4.48Å; E1230-R1245 IonicContact OE1-CZ 3.16Å; E1230-R1245 IonicContact OE1-NH1 2.65Å; E1230-R1245 PolarHBondContact OE1-NH1 2.9Å |
| 1231 | L | 94.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.2 | 179.8 | -170.1 | 73.7 | 0 | 0 | 0 | 109.6 | V1167 P1178 F1179 V1180 W1202 L1243 G1244 I1269 | V1167-L1231 HydrophobicContact CB-CD2 4.25Å; V1167-L1231 HydrophobicContact CG1-CD2 3.57Å; V1167-L1231 HydrophobicContact CG2-CD2 3.68Å; P1178-L1231 HydrophobicContact CB-CD1 4.32Å; F1179-L1231 WeakPolarHBondContact O-CD1 3.47Å; V1180-L1231 HydrophobicContact CG2-CD1 3.54Å; W1202-L1231 HydrophobicContact CH2-CD1 3.75Å; W1202-L1231 HydrophobicContact CZ2-CD1 4.08Å; L1231-L1243 HydrophobicContact CB-CB 4.32Å; L1231-L1243 HydrophobicContact CD2-CB 4.15Å; L1231-L1243 HydrophobicContact CD2-CD1 4.21Å; L1231-L1243 HydrophobicContact CG-CB 4.21Å; L1231-L1243 HydrophobicContact CG-CD1 4.22Å; L1231-L1243 WeakPolarHBondContact O-CB 3.42Å; L1231-L1243 PolarHBondContact O-N 3.28Å; L1231-G1244 PolarHBondContact N-O 3.23Å; L1231-G1244 PolarHBondContact O-N 3.06Å; L1231-I1269 HydrophobicContact CB-CD1 4.42Å; L1231-I1269 HydrophobicContact CD2-CD1 3.68Å |
| 1232 | F | 93.2 | Very high | 87.7 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.013 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 152.6 | -177.6 | -67.7 | -86.6 | 0 | 0 | 0 | 111.2 | W840 P1178 F1179 R1181 E1230 D1240 H1241 F1242 | W840-F1232 HydrophobicContact CE3-CZ 4.46Å; W840-F1232 AromaticContact CH2-CE1 3.43Å; W840-F1232 HydrophobicContact CH2-CE1 3.43Å; W840-F1232 VanDerWaalsContact CH2-CE1 3.43Å; W840-F1232 AromaticContact CH2-CZ 3.47Å; W840-F1232 HydrophobicContact CH2-CZ 3.47Å; W840-F1232 VanDerWaalsContact CH2-CZ 3.47Å; W840-F1232 AromaticContact CZ2-CE1 3.78Å; W840-F1232 HydrophobicContact CZ2-CE1 3.78Å; W840-F1232 HydrophobicContact CZ2-CZ 4.29Å; W840-F1232 AromaticContact CZ3-CE1 3.86Å; W840-F1232 HydrophobicContact CZ3-CE1 3.86Å; W840-F1232 AromaticContact CZ3-CZ 3.58Å; W840-F1232 HydrophobicContact CZ3-CZ 3.58Å; P1178-F1232 CarbonylContact C-O 3.53Å; P1178-F1232 WeakPolarHBondContact CA-O 3.31Å; F1179-F1232 HydrophobicContact CD1-CB 4.01Å; F1179-F1232 HydrophobicContact CE1-CB 3.42Å; F1179-F1232 VanDerWaalsContact CE1-CB 3.42Å; F1179-F1232 HydrophobicContact CE1-CG 4.4Å; F1179-F1232 HydrophobicContact CE2-CB 4.18Å; F1179-F1232 HydrophobicContact CE2-CD2 4.21Å; F1179-F1232 HydrophobicContact CZ-CB 3.52Å; F1179-F1232 HydrophobicContact CZ-CD2 4.17Å; F1179-F1232 HydrophobicContact CZ-CG 4.03Å; F1179-F1232 PolarHBondContact N-O 2.92Å; F1179-F1232 PolarHBondContact O-N 3.19Å; R1181-F1232 HydrophobicContact CB-CD2 4.35Å; R1181-F1232 HydrophobicContact CB-CE2 4.14Å; E1230-F1232 HydrophobicContact CB-CD2 4.26Å; E1230-F1232 HydrophobicContact CB-CE2 3.46Å; E1230-F1232 VanDerWaalsContact CB-CE2 3.46Å; E1230-F1232 HydrophobicContact CB-CZ 4.07Å; F1232-D1240 HydrophobicContact CB-CB 4.25Å; F1232-D1240 HydrophobicContact CD1-CB 4.27Å; F1232-H1241 CarbonylContact C-O 3.55Å; F1232-H1241 WeakPolarHBondContact CA-O 3.39Å; F1232-F1242 HydrophobicContact CD1-CB 4.17Å; F1232-F1242 HydrophobicContact CD1-CD2 4.3Å; F1232-F1242 HydrophobicContact CE1-CB 3.91Å; F1232-F1242 AromaticContact CE1-CD2 3.68Å; F1232-F1242 HydrophobicContact CE1-CD2 3.68Å; F1232-F1242 HydrophobicContact CE1-CG 4.29Å; F1232-F1242 AromaticContact CZ-CD2 3.84Å; F1232-F1242 HydrophobicContact CZ-CD2 3.84Å |
| 1233 | D | 93 | Very high | 87.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.8 | 165.2 | 174.8 | 51.8 | 0 | 0 | 0 | 108.5 | A1170 S1176 D1177 D1240 H1241 L1243 | A1170-D1233 HydrophobicContact CB-CB 3.68Å; A1170-D1233 WeakPolarHBondContact CB-OD2 3.36Å; S1176-D1233 WeakPolarHBondContact CA-OD1 3.47Å; S1176-D1233 VanDerWaalsContact CB-OD1 3.24Å; S1176-D1233 WeakPolarHBondContact CB-OD1 3.35Å; D1177-D1233 PolarHBondContact N-OD1 2.85Å; D1233-D1240 CarbonylContact O-C 3.57Å; D1233-D1240 VanDerWaalsContact O-CA 3.24Å; D1233-D1240 WeakPolarHBondContact O-CA 3.39Å; D1233-D1240 WeakPolarHBondContact O-CB 3.49Å; D1233-H1241 HydrophobicContact CB-CB 4.16Å; D1233-H1241 PolarHBondContact N-O 2.95Å; D1233-H1241 PolarHBondContact O-N 3.23Å; D1233-L1243 HydrophobicContact CB-CD1 4Å; D1233-L1243 HydrophobicContact CB-CD2 3.94Å; D1233-L1243 HydrophobicContact CB-CG 4.1Å |
| 1234 | Y | 91.4 | Very high | 88 | Confident | 86 Ų | 86 | 39.1 Ų | 39.1 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | trans | -75.9 | 128.1 | -178.8 | 173.6 | -102.1 | 0 | 0 | 0 | 111.3 | D1177 I1193 D1240 | D1177-Y1234 PolarHBondContact O-N 2.8Å; I1193-Y1234 HydrophobicContact CD1-CD1 3.96Å; I1193-Y1234 HydrophobicContact CD1-CD2 3.55Å; I1193-Y1234 HydrophobicContact CD1-CE1 4.36Å; I1193-Y1234 HydrophobicContact CD1-CE2 4Å; I1193-Y1234 HydrophobicContact CD1-CG 3.52Å; I1193-Y1234 HydrophobicContact CG1-CD2 4.47Å; I1193-Y1234 HydrophobicContact CG1-CG 4.2Å; I1193-Y1234 HydrophobicContact CG2-CD1 4.3Å; I1193-Y1234 HydrophobicContact CG2-CG 4.21Å; Y1234-D1240 WeakPolarHBondContact CD2-OD1 3.3Å | ||
| 1235 | D | 82.4 | Confident | 88.1 | Confident | 41 Ų | 41 | 40 Ų | 40 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | trans | -117.9 | 128.6 | 178.2 | -91.3 | -47.3 | 0 | 0 | 0 | 110.8 | S1238 D1240 | D1235-S1238 WeakPolarHBondContact CB-OG 3.41Å; D1235-S1238 PolarHBondContact OD2-OG 2.79Å; D1235-D1240 PolarHBondContact N-OD1 3.27Å | ||
| 1236 | Q | 75.8 | Confident | 88.1 | Confident | 170 Ų | 170 | 40.9 Ų | 40.9 | 79% | 0.794 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -72.4 | -33.9 | -179.2 | -169.6 | 179 | 14.3 | 0 | 0 | 113.6 | ||
| 1237 | L | 72.5 | Confident | 88 | Confident | 173 Ų | 173 | 44.1 Ų | 44.1 | 91% | 0.906 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -114.3 | -4.1 | -172.5 | -67 | 173.2 | 0 | 0 | 0 | 113.8 | ||
| 1238 | S | 66.2 | Low | 87.8 | Confident | 69 Ų | 69 | 44.3 Ų | 44.3 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -129.9 | 174.8 | 177.3 | 40.2 | 0 | 0 | 0 | 0 | 111 | D1235 | D1235-S1238 WeakPolarHBondContact CB-OG 3.41Å; D1235-S1238 PolarHBondContact OD2-OG 2.79Å |
| 1239 | S | 76.6 | Confident | 87.5 | Confident | 106 Ų | 106 | 48.6 Ų | 48.6 | 74% | 0.741 | 26% | 0.255 | S | S | * | . | trans | -70.1 | 136.1 | 168.7 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | H1241 | S1239-H1241 PolarHBondContact O-N 3.41Š| ||
| 1240 | D | 83.8 | Confident | 87.4 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | trans | -44.6 | 133.7 | 175.6 | -50.4 | -36.1 | 0 | 0 | 0 | 112.4 | F1179 F1232 D1233 Y1234 D1235 | F1179-D1240 HydrophobicContact CE1-CB 4.16Å; F1179-D1240 HydrophobicContact CZ-CB 4.26Å; F1232-D1240 HydrophobicContact CB-CB 4.25Å; F1232-D1240 HydrophobicContact CD1-CB 4.27Å; D1233-D1240 CarbonylContact O-C 3.57Å; D1233-D1240 VanDerWaalsContact O-CA 3.24Å; D1233-D1240 WeakPolarHBondContact O-CA 3.39Å; D1233-D1240 WeakPolarHBondContact O-CB 3.49Å; Y1234-D1240 WeakPolarHBondContact CD2-OD1 3.3Å; D1235-D1240 PolarHBondContact N-OD1 3.27Å | ||
| 1241 | H | 87.6 | Confident | 87.1 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.6 | -173.5 | 177 | -105.6 | 0 | 0 | 0 | 111.4 | A1170 F1232 D1233 S1239 L1243 K1271 | A1170-H1241 HydrophobicContact CB-CB 4.48Å; A1170-H1241 WeakPolarHBondContact CB-ND1 3.31Å; F1232-H1241 CarbonylContact C-O 3.55Å; F1232-H1241 WeakPolarHBondContact CA-O 3.39Å; D1233-H1241 HydrophobicContact CB-CB 4.16Å; D1233-H1241 PolarHBondContact N-O 2.95Å; D1233-H1241 PolarHBondContact O-N 3.23Å; S1239-H1241 PolarHBondContact O-N 3.41Å; H1241-L1243 PolarHBondContact O-N 2.97Å; H1241-K1271 PolarHBondContact CE1-NZ 3.42Å |
| 1242 | F | 90.6 | Very high | 86.9 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 122.9 | -177.2 | 178.2 | -104.6 | 0 | 0 | 0 | 112.3 | W840 E1230 F1232 G1244 R1245 K1271 | W840-F1242 HydrophobicContact CB-CD1 3.43Å; W840-F1242 VanDerWaalsContact CB-CD1 3.43Å; W840-F1242 HydrophobicContact CB-CE1 3.58Å; W840-F1242 HydrophobicContact CB-CG 3.96Å; W840-F1242 HydrophobicContact CB-CZ 4.22Å; W840-F1242 HydrophobicContact CD2-CB 3.75Å; W840-F1242 HydrophobicContact CD2-CD1 4.06Å; W840-F1242 AromaticContact CD2-CD2 3.81Å; W840-F1242 HydrophobicContact CD2-CD2 3.81Å; W840-F1242 HydrophobicContact CD2-CE2 4.38Å; W840-F1242 AromaticContact CD2-CG 3.6Å; W840-F1242 HydrophobicContact CD2-CG 3.6Å; W840-F1242 HydrophobicContact CE3-CB 4.32Å; W840-F1242 HydrophobicContact CE3-CD1 4.41Å; W840-F1242 AromaticContact CE3-CD2 3.52Å; W840-F1242 HydrophobicContact CE3-CD2 3.52Å; W840-F1242 AromaticContact CE3-CE2 3.81Å; W840-F1242 HydrophobicContact CE3-CE2 3.81Å; W840-F1242 AromaticContact CE3-CG 3.84Å; W840-F1242 HydrophobicContact CE3-CG 3.84Å; W840-F1242 HydrophobicContact CE3-CZ 4.36Å; W840-F1242 HydrophobicContact CG-CB 3.83Å; W840-F1242 AromaticContact CG-CD1 3.63Å; W840-F1242 HydrophobicContact CG-CD1 3.63Å; W840-F1242 HydrophobicContact CG-CD2 4.28Å; W840-F1242 HydrophobicContact CG-CE1 4.21Å; W840-F1242 AromaticContact CG-CG 3.65Å; W840-F1242 HydrophobicContact CG-CG 3.65Å; W840-F1242 HydrophobicContact CZ2-CB 4.39Å; W840-F1242 HydrophobicContact CZ3-CD2 4Å; W840-F1242 HydrophobicContact CZ3-CE2 4.38Å; E1230-F1242 HydrophobicContact CB-CE2 4.38Å; E1230-F1242 HydrophobicContact CG-CE2 4.48Å; F1232-F1242 HydrophobicContact CD1-CB 4.17Å; F1232-F1242 HydrophobicContact CD1-CD2 4.3Å; F1232-F1242 HydrophobicContact CE1-CB 3.91Å; F1232-F1242 AromaticContact CE1-CD2 3.68Å; F1232-F1242 HydrophobicContact CE1-CD2 3.68Å; F1232-F1242 HydrophobicContact CE1-CG 4.29Å; F1232-F1242 AromaticContact CZ-CD2 3.84Å; F1232-F1242 HydrophobicContact CZ-CD2 3.84Å; F1242-G1244 VanDerWaalsContact CE2-C 3.45Å; F1242-G1244 WeakPolarHBondContact CE2-O 3Å; F1242-G1244 WeakPolarHBondContact CZ-O 3.18Å; F1242-R1245 HydrophobicContact CE2-CB 4.07Å; F1242-R1245 HydrophobicContact CZ-CB 3.72Å; F1242-K1271 HydrophobicContact CE1-CG 4.4Å; F1242-K1271 WeakPolarHBondContact O-CE 3.23Å; F1242-K1271 PolarHBondContact O-NZ 2.77Å |
| 1243 | L | 88.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -25.1 | -179.6 | -54.2 | -176.2 | 0 | 0 | 0 | 112.6 | V1167 L1168 A1170 L1231 D1233 H1241 | V1167-L1243 HydrophobicContact CG1-CD1 3.39Å; L1168-L1243 HydrophobicContact CB-CD2 4.29Å; A1170-L1243 HydrophobicContact CB-CD2 3.7Å; L1231-L1243 HydrophobicContact CB-CB 4.32Å; L1231-L1243 HydrophobicContact CD2-CB 4.15Å; L1231-L1243 HydrophobicContact CD2-CD1 4.21Å; L1231-L1243 HydrophobicContact CG-CB 4.21Å; L1231-L1243 HydrophobicContact CG-CD1 4.22Å; L1231-L1243 WeakPolarHBondContact O-CB 3.42Å; L1231-L1243 PolarHBondContact O-N 3.28Å; D1233-L1243 HydrophobicContact CB-CD1 4Å; D1233-L1243 HydrophobicContact CB-CD2 3.94Å; D1233-L1243 HydrophobicContact CB-CG 4.1Å; H1241-L1243 PolarHBondContact O-N 2.97Å |
| 1244 | G | 92 | Very high | 86.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1231 F1242 I1269 E1270 | L1231-G1244 PolarHBondContact N-O 3.23Å; L1231-G1244 PolarHBondContact O-N 3.06Å; F1242-G1244 VanDerWaalsContact CE2-C 3.45Å; F1242-G1244 WeakPolarHBondContact CE2-O 3Å; F1242-G1244 WeakPolarHBondContact CZ-O 3.18Å; G1244-I1269 VanDerWaalsContact C-CG2 3.46Å; G1244-E1270 VanDerWaalsContact CA-O 3.28Å; G1244-E1270 WeakPolarHBondContact CA-O 3.39Å |
| 1245 | R | 93.5 | Very high | 85.8 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 158.2 | -176.4 | 155.9 | 175.2 | 33.5 | -121.4 | -24.9 | 111.8 | W840 I842 M1228 I1229 E1230 F1242 E1270 | W840-R1245 PolarHBondContact O-NH2 2.93Å; I842-R1245 VanDerWaalsContact CG1-NH1 3.34Å; M1228-R1245 HydrophobicContact CE-CG 3.96Å; I1229-R1245 CarbonylContact O-C 3.55Å; I1229-R1245 VanDerWaalsContact O-CA 3.25Å; I1229-R1245 WeakPolarHBondContact O-CA 3Å; E1230-R1245 HydrophobicContact CG-CB 4.27Å; E1230-R1245 HydrophobicContact CG-CG 4.48Å; E1230-R1245 IonicContact OE1-CZ 3.16Å; E1230-R1245 IonicContact OE1-NH1 2.65Å; E1230-R1245 PolarHBondContact OE1-NH1 2.9Å; F1242-R1245 HydrophobicContact CE2-CB 4.07Å; F1242-R1245 HydrophobicContact CZ-CB 3.72Å; R1245-E1270 PolarHBondContact N-O 2.85Å; R1245-E1270 PolarHBondContact O-N 2.82Å |
| 1246 | L | 93.5 | Very high | 85.2 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165.4 | 163 | 62.6 | 165.2 | 0 | 0 | 0 | 112.5 | I1229 I1248 Y1267 I1269 I1279 | I1229-L1246 HydrophobicContact CB-CD2 3.68Å; I1229-L1246 HydrophobicContact CB-CG 4Å; I1229-L1246 HydrophobicContact CG2-CD2 3.67Å; I1229-L1246 HydrophobicContact CG2-CG 4.46Å; I1229-L1246 PolarHBondContact N-O 2.8Å; I1229-L1246 PolarHBondContact O-N 2.87Å; L1246-I1248 HydrophobicContact CD1-CD1 3.66Å; L1246-I1248 HydrophobicContact CD1-CG1 3.87Å; L1246-I1248 HydrophobicContact CG-CD1 4.31Å; L1246-I1248 HydrophobicContact CG-CG1 4.33Å; L1246-Y1267 HydrophobicContact CD1-CG 4.05Å; L1246-I1269 HydrophobicContact CD2-CG1 4Å; L1246-I1279 HydrophobicContact CD1-CG2 3.86Å; L1246-I1279 HydrophobicContact CD2-CG2 4.15Å |
| 1247 | Q | 91.8 | Very high | 84.9 | Confident | 86 Ų | 86 | 53 Ų | 53 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.6 | 173.3 | -85.5 | 180 | -36.8 | 0 | 0 | 109.3 | N825 P1226 M1228 | N825-Q1247 PolarHBondContact ND2-NE2 2.81Å; P1226-Q1247 HydrophobicContact CB-CB 4.24Å; P1226-Q1247 HydrophobicContact CB-CG 4.38Å; M1228-Q1247 HydrophobicContact CE-CG 4.02Å; M1228-Q1247 VanDerWaalsContact SD-CD 3.59Å; M1228-Q1247 HydrophobicContact SD-CG 3.18Å; M1228-Q1247 WeakPolarHBondContact SD-CG 3.49Å; M1228-Q1247 PolarHBondContact SD-NE2 3.36Å |
| 1248 | I | 90.9 | Very high | 84.6 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.7 | -178.1 | -60.5 | 173.5 | 0 | 0 | 0 | 110.3 | P1226 V1227 I1229 L1246 Y1267 F1283 | P1226-I1248 CarbonylContact C-O 3.59Å; P1226-I1248 WeakPolarHBondContact CA-O 3.45Å; V1227-I1248 PolarHBondContact N-O 3.4Å; V1227-I1248 PolarHBondContact O-N 2.62Å; I1229-I1248 HydrophobicContact CG1-CD1 4.25Å; L1246-I1248 HydrophobicContact CD1-CD1 3.66Å; L1246-I1248 HydrophobicContact CD1-CG1 3.87Å; L1246-I1248 HydrophobicContact CG-CD1 4.31Å; L1246-I1248 HydrophobicContact CG-CG1 4.33Å; I1248-Y1267 HydrophobicContact CD1-CD1 3.96Å; I1248-Y1267 HydrophobicContact CD1-CD2 3.59Å; I1248-Y1267 HydrophobicContact CD1-CE1 4.19Å; I1248-Y1267 HydrophobicContact CD1-CE2 3.85Å; I1248-Y1267 HydrophobicContact CD1-CG 3.65Å; I1248-Y1267 HydrophobicContact CG1-CD1 3.91Å; I1248-Y1267 HydrophobicContact CG1-CD2 4.43Å; I1248-Y1267 HydrophobicContact CG1-CE1 4.07Å; I1248-Y1267 HydrophobicContact CG1-CG 4.09Å; I1248-Y1267 HydrophobicContact CG2-CE1 3.91Å; I1248-Y1267 HydrophobicContact CG2-CE2 4.43Å; I1248-F1283 HydrophobicContact CB-CD2 4.27Å; I1248-F1283 HydrophobicContact CB-CE2 4.25Å; I1248-F1283 HydrophobicContact CD1-CD2 4.12Å; I1248-F1283 HydrophobicContact CD1-CE2 3.33Å; I1248-F1283 HydrophobicContact CD1-CZ 3.91Å; I1248-F1283 HydrophobicContact CG1-CE2 4.39Å; I1248-F1283 HydrophobicContact CG2-CD2 3.63Å; I1248-F1283 HydrophobicContact CG2-CE2 3.99Å; I1248-F1283 HydrophobicContact CG2-CG 4.44Å |
| 1249 | T | 89.9 | Confident | 84.2 | Confident | 90 Ų | 90 | 51.3 Ų | 51.3 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | trans | -82.1 | 121.3 | 173.6 | -55 | 0 | 0 | 0 | 0 | 110 | P1224 | P1224-T1249 HydrophobicContact CB-CG2 3.76Å; P1224-T1249 HydrophobicContact CG-CG2 3.51Å | ||
| 1250 | P | 92.9 | Very high | 83.3 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | trans | -74.4 | 151.4 | -179.5 | 31.1 | -35.4 | 0 | 0 | 0 | 112.3 | L1157 F1184 P1224 P1225 V1227 V1252 F1283 L1285 | L1157-P1250 HydrophobicContact CD1-CB 4.01Å; F1184-P1250 HydrophobicContact CE2-CG 4.48Å; P1224-P1250 HydrophobicContact CB-CG 4.15Å; P1225-P1250 WeakPolarHBondContact O-CD 3.24Å; V1227-P1250 HydrophobicContact CG2-CB 4.24Å; V1227-P1250 HydrophobicContact CG2-CG 4.24Å; P1250-V1252 PolarHBondContact O-N 2.98Å; P1250-F1283 HydrophobicContact CB-CB 3.92Å; P1250-L1285 HydrophobicContact CB-CB 4.1Å; P1250-L1285 HydrophobicContact CG-CB 4.15Å; P1250-L1285 HydrophobicContact CG-CD2 4.38Å | ||
| 1251 | A | 88.8 | Confident | 82.2 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 115.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1283 E1284 L1285 | A1251-F1283 PolarHBondContact N-O 3.03Å; A1251-E1284 CarbonylContact O-C 3.5Å; A1251-E1284 WeakPolarHBondContact O-CA 3.44Å; A1251-L1285 PolarHBondContact O-N 3.19Å |
| 1252 | V | 90.8 | Very high | 81.3 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132.4 | -174 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | W1155 I1220 L1221 P1224 P1250 L1254 L1285 | W1155-V1252 HydrophobicContact CH2-CG1 3.83Å; W1155-V1252 HydrophobicContact CZ3-CG1 3.61Å; I1220-V1252 HydrophobicContact CG2-CG1 4.38Å; L1221-V1252 HydrophobicContact CB-CG1 4.23Å; L1221-V1252 HydrophobicContact CD1-CB 3.74Å; L1221-V1252 HydrophobicContact CD1-CG1 4.09Å; P1224-V1252 HydrophobicContact CB-CG2 3.63Å; P1224-V1252 HydrophobicContact CG-CG2 3.56Å; P1250-V1252 PolarHBondContact O-N 2.98Å; V1252-L1254 HydrophobicContact CG1-CD2 4.29Å; V1252-L1285 CarbonylContact C-O 3.52Å; V1252-L1285 WeakPolarHBondContact CA-O 3.28Å; V1252-L1285 HydrophobicContact CG2-CB 4.4Å; V1252-L1285 HydrophobicContact CG2-CD2 4.15Å |
| 1253 | R | 86.9 | Confident | 80.6 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 11% | 0.109 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 116.1 | 179.4 | -69.5 | 179 | 56.4 | -164 | -9.5 | 110.6 | D1255 T1256 T1258 E1284 L1285 L1287 | R1253-D1255 PolarHBondContact NH2-O 2.78Å; R1253-T1256 PolarHBondContact NH2-O 2.76Å; R1253-T1256 VanDerWaalsContact NH2-O 3.07Å; R1253-T1258 PolarHBondContact NE-O 2.85Å; R1253-T1258 PolarHBondContact NH2-O 2.86Å; R1253-E1284 IonicContact NH1-OE2 3.24Å; R1253-E1284 PolarHBondContact NH1-OE2 2.87Å; R1253-L1285 PolarHBondContact N-O 2.81Å; R1253-L1287 PolarHBondContact O-N 2.79Å |
| 1254 | L | 87.5 | Confident | 80.5 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -83.8 | -20 | 176 | -56.5 | -172.3 | 0 | 0 | 0 | 113.1 | W1155 P1217 K1218 L1221 V1252 L1287 | W1155-L1254 HydrophobicContact CH2-CD2 3.67Å; W1155-L1254 HydrophobicContact CZ3-CD2 4.27Å; P1217-L1254 HydrophobicContact CB-CD2 3.67Å; K1218-L1254 HydrophobicContact CG-CD1 4.42Å; L1221-L1254 HydrophobicContact CD2-CD1 3.94Å; L1221-L1254 HydrophobicContact CD2-CG 4.36Å; V1252-L1254 HydrophobicContact CG1-CD2 4.29Å; L1254-L1287 HydrophobicContact CD2-CD2 4.4Å |
| 1255 | D | 79.6 | Confident | 80.1 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | trans | -121.3 | 130.7 | 177.7 | -177.5 | 36.6 | 0 | 0 | 0 | 112.5 | R1253 E1257 T1258 K1291 | R1253-D1255 PolarHBondContact NH2-O 2.78Å; D1255-E1257 VanDerWaalsContact C-N 3.35Å; D1255-E1257 PolarHBondContact OD1-N 2.96Å; D1255-T1258 PolarHBondContact OD2-N 3.02Å; D1255-T1258 PolarHBondContact OD2-OG1 2.7Å; D1255-T1258 VanDerWaalsContact OD2-OG1 3.12Å; D1255-K1291 IonicContact OD1-NZ 3.81Å; D1255-K1291 PolarHBondContact OD1-NZ 3.24Å | ||
| 1256 | T | 70.4 | Confident | 79.8 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -72.2 | -27.8 | -178.4 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | R1253 I1286 L1287 L1288 K1291 | R1253-T1256 PolarHBondContact NH2-O 2.76Å; R1253-T1256 VanDerWaalsContact NH2-O 3.07Å; T1256-I1286 HydrophobicContact CG2-CG2 4.09Å; T1256-L1287 WeakPolarHBondContact CG2-O 3.32Å; T1256-L1288 HydrophobicContact CG2-CD2 4.22Å; T1256-K1291 HydrophobicContact CG2-CB 4.31Å; T1256-K1291 HydrophobicContact CG2-CD 3.98Å; T1256-K1291 VanDerWaalsContact OG1-CD 3.26Å; T1256-K1291 WeakPolarHBondContact OG1-CD 3.17Å |
| 1257 | E | 69.5 | Low | 79.6 | Confident | 163 Ų | 163 | 63.4 Ų | 63.4 | 76% | 0.762 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -82.4 | -25 | -175.4 | -62.7 | -172.6 | -179 | 0 | 0 | 113.4 | D1255 T1259 | D1255-E1257 VanDerWaalsContact C-N 3.35Å; D1255-E1257 PolarHBondContact OD1-N 2.96Å; E1257-T1259 PolarHBondContact O-N 3.01Å; E1257-T1259 VanDerWaalsContact O-N 3.13Å |
| 1258 | T | 64.6 | Low | 79.5 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | trans | -66.5 | 110.5 | -179.5 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | R1253 D1255 W1260 | R1253-T1258 PolarHBondContact NE-O 2.85Å; R1253-T1258 PolarHBondContact NH2-O 2.86Å; D1255-T1258 PolarHBondContact OD2-N 3.02Å; D1255-T1258 PolarHBondContact OD2-OG1 2.7Å; D1255-T1258 VanDerWaalsContact OD2-OG1 3.12Å; T1258-W1260 PolarHBondContact O-N 3.06Å | ||
| 1259 | T | 58.8 | Low | 79.6 | Confident | 137 Ų | 137 | 61.8 Ų | 61.8 | 84% | 0.84 | 33% | 0.334 | S | S | * | . | trans | -74.1 | 115.8 | 174.4 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | E1257 | E1257-T1259 PolarHBondContact O-N 3.01Å; E1257-T1259 VanDerWaalsContact O-N 3.13Å | ||
| 1260 | W | 57.2 | Low | 79.4 | Confident | 172 Ų | 172 | 63.3 Ų | 63.3 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | trans | -107.8 | 136.3 | 171.1 | -152.8 | -73.7 | 0 | 0 | 0 | 109.9 | T1258 N1262 | T1258-W1260 PolarHBondContact O-N 3.06Å; W1260-N1262 PolarHBondContact O-N 3.45Å | ||
| 1261 | A | 61.1 | Low | 78.9 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | trans | -83.8 | 88.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | V1263 | A1261-V1263 WeakPolarHBondContact O-CG2 3.43Å; A1261-V1263 PolarHBondContact O-N 3.01Å | ||
| 1262 | N | 67.8 | Low | 78.2 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | trans | -68.4 | 129.3 | 169.9 | -81.2 | -38.7 | 0 | 0 | 0 | 108.8 | W1260 E1284 I1310 | W1260-N1262 PolarHBondContact O-N 3.45Å; N1262-E1284 WeakPolarHBondContact ND2-CB 2.91Å; N1262-E1284 PolarHBondContact ND2-OE2 3.34Å; N1262-I1310 HydrophobicContact CB-CD1 4.27Å | ||
| 1263 | V | 76.7 | Confident | 77.2 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | trans | -108.8 | 131.3 | -174.3 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | A1261 Y1382 | A1261-V1263 WeakPolarHBondContact O-CG2 3.43Å; A1261-V1263 PolarHBondContact O-N 3.01Å; V1263-Y1382 WeakPolarHBondContact CG1-OH 3.37Å | ||
| 1264 | L | 85.6 | Confident | 76.6 | Confident | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.016 | 40% | 0.402 | C | S | . | . | trans | -63.3 | 142.6 | 176.8 | -68.5 | 167.9 | 0 | 0 | 0 | 110 | F1162 L1280 A1282 I1310 P1312 Y1382 | F1162-L1264 HydrophobicContact CB-CD1 3.95Å; F1162-L1264 HydrophobicContact CB-CD2 4.1Å; F1162-L1264 HydrophobicContact CD1-CD1 4.01Å; F1162-L1264 HydrophobicContact CD2-CD1 4.38Å; F1162-L1264 HydrophobicContact CG-CD1 3.85Å; L1264-L1280 HydrophobicContact CB-CD1 3.61Å; L1264-L1280 HydrophobicContact CB-CD2 4.46Å; L1264-L1280 HydrophobicContact CB-CG 3.88Å; L1264-L1280 HydrophobicContact CD1-CD2 4.42Å; L1264-L1280 HydrophobicContact CD1-CG 4.36Å; L1264-A1282 HydrophobicContact CD2-CB 4.01Å; L1264-I1310 HydrophobicContact CD1-CG2 4.45Å; L1264-I1310 HydrophobicContact CD2-CG2 4.07Å; L1264-I1310 HydrophobicContact CG-CG2 3.87Å; L1264-P1312 HydrophobicContact CD1-CG 4.25Å; L1264-Y1382 HydrophobicContact CB-CD1 4.34Å; L1264-Y1382 HydrophobicContact CB-CE1 3.72Å; L1264-Y1382 WeakPolarHBondContact O-CE1 3.4Å | ||
| 1265 | Q | 85 | Confident | 76.1 | Confident | 105 Ų | 105 | 86.7 Ų | 86.7 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146.1 | 177.9 | -65.7 | -176 | -0.4 | 0 | 0 | 111.7 | Y1267 L1280 A1281 | Q1265-Y1267 HydrophobicContact CB-CD2 4.44Å; Q1265-Y1267 HydrophobicContact CB-CE2 3.72Å; Q1265-Y1267 WeakPolarHBondContact O-CD2 3.44Å; Q1265-Y1267 WeakPolarHBondContact O-CE2 3.38Å; Q1265-Y1267 PolarHBondContact OE1-OH 3.37Å; Q1265-L1280 VanDerWaalsContact C-CD1 3.44Å; Q1265-L1280 WeakPolarHBondContact O-CA 3.49Å; Q1265-A1281 PolarHBondContact N-O 2.96Å; Q1265-A1281 PolarHBondContact O-N 3.43Å |
| 1266 | W | 86.9 | Confident | 76.2 | Confident | 38 Ų | 38 | 84.2 Ų | 84.2 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.7 | 173.2 | -73.8 | 105.8 | 0 | 0 | 0 | 110.5 | Q1163 R1165 E1278 I1279 L1280 I1381 | Q1163-W1266 HydrophobicContact CG-CH2 3.73Å; Q1163-W1266 HydrophobicContact CG-CZ2 4.32Å; Q1163-W1266 HydrophobicContact CG-CZ3 4.43Å; Q1163-W1266 VanDerWaalsContact NE2-CZ2 3.32Å; R1165-W1266 HydrophobicContact CB-CH2 4.07Å; R1165-W1266 HydrophobicContact CB-CZ3 4.18Å; R1165-W1266 HydrophobicContact CG-CE3 4.25Å; R1165-W1266 HydrophobicContact CG-CH2 3.75Å; R1165-W1266 HydrophobicContact CG-CZ3 3.58Å; W1266-E1278 HydrophobicContact CE3-CB 3.77Å; W1266-E1278 HydrophobicContact CZ3-CB 4.28Å; W1266-I1279 CarbonylContact C-O 3.56Å; W1266-I1279 WeakPolarHBondContact CA-O 3.24Å; W1266-I1279 VanDerWaalsContact CE3-C 3.5Å; W1266-L1280 HydrophobicContact CD2-CB 3.9Å; W1266-L1280 HydrophobicContact CD2-CD1 4.11Å; W1266-L1280 HydrophobicContact CD2-CG 4.47Å; W1266-L1280 HydrophobicContact CE3-CB 3.75Å; W1266-L1280 HydrophobicContact CG-CD1 4.12Å; W1266-L1280 HydrophobicContact CH2-CB 3.81Å; W1266-L1280 HydrophobicContact CZ2-CB 3.94Å; W1266-L1280 HydrophobicContact CZ2-CD2 3.95Å; W1266-L1280 HydrophobicContact CZ2-CG 4.41Å; W1266-L1280 HydrophobicContact CZ3-CB 3.7Å; W1266-I1381 PolarHBondContact NE1-O 2.97Å |
| 1267 | Y | 89.5 | Confident | 77 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.7 | 174.7 | -58.1 | -90 | 0 | 0 | 0 | 110.4 | L1246 I1248 Q1265 E1278 I1279 A1281 | L1246-Y1267 HydrophobicContact CD1-CG 4.05Å; I1248-Y1267 HydrophobicContact CD1-CD1 3.96Å; I1248-Y1267 HydrophobicContact CD1-CD2 3.59Å; I1248-Y1267 HydrophobicContact CD1-CE1 4.19Å; I1248-Y1267 HydrophobicContact CD1-CE2 3.85Å; I1248-Y1267 HydrophobicContact CD1-CG 3.65Å; I1248-Y1267 HydrophobicContact CG1-CD1 3.91Å; I1248-Y1267 HydrophobicContact CG1-CD2 4.43Å; I1248-Y1267 HydrophobicContact CG1-CE1 4.07Å; I1248-Y1267 HydrophobicContact CG1-CG 4.09Å; I1248-Y1267 HydrophobicContact CG2-CE1 3.91Å; I1248-Y1267 HydrophobicContact CG2-CE2 4.43Å; Q1265-Y1267 HydrophobicContact CB-CD2 4.44Å; Q1265-Y1267 HydrophobicContact CB-CE2 3.72Å; Q1265-Y1267 WeakPolarHBondContact O-CD2 3.44Å; Q1265-Y1267 WeakPolarHBondContact O-CE2 3.38Å; Q1265-Y1267 PolarHBondContact OE1-OH 3.37Å; Y1267-E1278 CarbonylContact O-C 3.51Å; Y1267-E1278 VanDerWaalsContact O-CA 3.24Å; Y1267-E1278 WeakPolarHBondContact O-CA 3.42Å; Y1267-I1279 PolarHBondContact N-O 3.44Å; Y1267-I1279 PolarHBondContact O-N 3.29Å; Y1267-A1281 WeakPolarHBondContact CE2-O 3.3Å |
| 1268 | T | 90.3 | Very high | 78 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 134.1 | 177.9 | -55 | 0 | 0 | 0 | 0 | 111 | K1275 | T1268-K1275 HydrophobicContact CG2-CG 4.18Å |
| 1269 | I | 91.2 | Very high | 79.3 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.8 | 175.5 | -50.9 | 179.3 | 0 | 0 | 0 | 108.3 | L1231 G1244 L1246 G1276 G1277 I1279 | L1231-I1269 HydrophobicContact CB-CD1 4.42Å; L1231-I1269 HydrophobicContact CD2-CD1 3.68Å; G1244-I1269 VanDerWaalsContact C-CG2 3.46Å; L1246-I1269 HydrophobicContact CD2-CG1 4Å; I1269-G1276 PolarHBondContact O-N 2.97Å; I1269-G1277 WeakPolarHBondContact CB-O 3.37Å; I1269-G1277 PolarHBondContact N-O 3.44Å; I1269-I1279 HydrophobicContact CD1-CB 4.25Å; I1269-I1279 HydrophobicContact CG1-CB 4.5Å; I1269-I1279 HydrophobicContact CG1-CG2 4.43Å |
| 1270 | E | 86.5 | Confident | 80.9 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.5 | 180 | -63.8 | -169 | 167.7 | 0 | 0 | 112.8 | G1244 R1245 K1274 | G1244-E1270 VanDerWaalsContact CA-O 3.28Å; G1244-E1270 WeakPolarHBondContact CA-O 3.39Å; R1245-E1270 PolarHBondContact N-O 2.85Å; R1245-E1270 PolarHBondContact O-N 2.82Å; E1270-K1274 WeakPolarHBondContact CA-O 3.46Å |
| 1271 | K | 83.3 | Confident | 82.6 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 19% | 0.191 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 115.8 | 169.9 | -177.2 | 175.6 | 177.4 | 169.9 | 0 | 108.6 | L1168 H1241 F1242 R1273 K1274 | L1168-K1271 HydrophobicContact CD1-CB 4.44Å; L1168-K1271 HydrophobicContact CD1-CD 3.64Å; H1241-K1271 PolarHBondContact CE1-NZ 3.42Å; F1242-K1271 HydrophobicContact CE1-CG 4.4Å; F1242-K1271 WeakPolarHBondContact O-CE 3.23Å; F1242-K1271 PolarHBondContact O-NZ 2.77Å; K1271-R1273 VanDerWaalsContact C-N 3.3Å; K1271-R1273 PolarHBondContact O-N 3.4Å; K1271-K1274 PolarHBondContact N-O 2.82Å; K1271-K1274 WeakPolarHBondContact O-CB 3.22Å; K1271-K1274 PolarHBondContact O-N 2.52Å |
| 1272 | N | 73 | Confident | 84 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 42.7 | 179.6 | -57.4 | -19.2 | 0 | 0 | 0 | 114.2 | K1274 | N1272-K1274 PolarHBondContact O-N 3.08Š|
| 1273 | R | 69.8 | Low | 85.2 | Confident | 234 Ų | 234 | 55.8 Ų | 55.8 | 88% | 0.883 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 15 | -175.3 | -50.2 | 178.3 | 179.8 | 166.9 | 1.8 | 115.3 | K1271 | K1271-R1273 VanDerWaalsContact C-N 3.3Å; K1271-R1273 PolarHBondContact O-N 3.4Å |
| 1274 | K | 73.8 | Confident | 85.9 | Confident | 108 Ų | 108 | 52.4 Ų | 52.4 | 47% | 0.47 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 155.4 | 170.6 | -62 | -179.5 | -176.6 | 171.2 | 0 | 110.4 | E1270 K1271 N1272 G1276 E1534 | E1270-K1274 WeakPolarHBondContact CA-O 3.46Å; K1271-K1274 PolarHBondContact N-O 2.82Å; K1271-K1274 WeakPolarHBondContact O-CB 3.22Å; K1271-K1274 PolarHBondContact O-N 2.52Å; N1272-K1274 PolarHBondContact O-N 3.08Å; K1274-G1276 PolarHBondContact O-N 3.41Å; K1274-E1534 IonicContact NZ-OE1 3.18Å; K1274-E1534 PolarHBondContact NZ-OE1 3.41Å; K1274-E1534 IonicContact NZ-OE2 3.1Å; K1274-E1534 PolarHBondContact NZ-OE2 3.19Å |
| 1275 | K | 77.1 | Confident | 86.3 | Confident | 172 Ų | 172 | 52.2 Ų | 52.2 | 75% | 0.748 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.2 | 175.8 | -65.8 | -172 | 177.9 | -173.1 | 0 | 110.1 | T1268 | T1268-K1275 HydrophobicContact CG2-CG 4.18Å |
| 1276 | G | 81.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 6.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1269 K1274 | I1269-G1276 PolarHBondContact O-N 2.97Å; K1274-G1276 PolarHBondContact O-N 3.41Å |
| 1277 | G | 87.4 | Confident | 86.8 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 124 | -171.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1165 S1166 I1269 | R1165-G1277 WeakPolarHBondContact O-CA 3.36Å; S1166-G1277 VanDerWaalsContact O-CA 3.22Å; S1166-G1277 WeakPolarHBondContact O-CA 3.22Å; I1269-G1277 WeakPolarHBondContact CB-O 3.37Å; I1269-G1277 PolarHBondContact N-O 3.44Å |
| 1278 | E | 90.5 | Very high | 86.5 | Confident | 46 Ų | 46 | 44 Ų | 44 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.1 | 175.5 | -59.1 | -178.4 | 120.9 | 0 | 0 | 110.6 | A1164 R1165 W1266 Y1267 | A1164-E1278 CarbonylContact C-O 3.57Å; A1164-E1278 WeakPolarHBondContact CA-O 3.36Å; A1164-E1278 VanDerWaalsContact CB-O 3.28Å; A1164-E1278 WeakPolarHBondContact CB-O 3.39Å; R1165-E1278 HydrophobicContact CG-CB 4.13Å; R1165-E1278 IonicContact CZ-OE2 3.23Å; R1165-E1278 PolarHBondContact N-O 3.4Å; R1165-E1278 IonicContact NE-OE2 2.75Å; R1165-E1278 PolarHBondContact NE-OE2 3.38Å; R1165-E1278 IonicContact NH2-OE2 2.71Å; R1165-E1278 PolarHBondContact NH2-OE2 2.95Å; R1165-E1278 PolarHBondContact O-N 3.49Å; W1266-E1278 HydrophobicContact CE3-CB 3.77Å; W1266-E1278 HydrophobicContact CZ3-CB 4.28Å; Y1267-E1278 CarbonylContact O-C 3.51Å; Y1267-E1278 VanDerWaalsContact O-CA 3.24Å; Y1267-E1278 WeakPolarHBondContact O-CA 3.42Å |
| 1279 | I | 92.7 | Very high | 85.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.8 | 177.4 | -167.5 | 171.6 | 0 | 0 | 0 | 110.5 | I1161 A1164 V1180 I1229 L1246 W1266 Y1267 I1269 A1281 | I1161-I1279 HydrophobicContact CG2-CD1 4.14Å; A1164-I1279 HydrophobicContact CB-CB 4.42Å; A1164-I1279 HydrophobicContact CB-CG1 4.38Å; V1180-I1279 HydrophobicContact CG2-CD1 3.81Å; I1229-I1279 HydrophobicContact CG2-CD1 4.12Å; L1246-I1279 HydrophobicContact CD1-CG2 3.86Å; L1246-I1279 HydrophobicContact CD2-CG2 4.15Å; W1266-I1279 CarbonylContact C-O 3.56Å; W1266-I1279 WeakPolarHBondContact CA-O 3.24Å; W1266-I1279 VanDerWaalsContact CE3-C 3.5Å; Y1267-I1279 PolarHBondContact N-O 3.44Å; Y1267-I1279 PolarHBondContact O-N 3.29Å; I1269-I1279 HydrophobicContact CD1-CB 4.25Å; I1269-I1279 HydrophobicContact CG1-CB 4.5Å; I1269-I1279 HydrophobicContact CG1-CG2 4.43Å; I1279-A1281 HydrophobicContact CG1-CB 4.48Å |
| 1280 | L | 91.3 | Very high | 85 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 108.2 | 173.9 | -175.3 | 57.9 | 0 | 0 | 0 | 108.8 | F1162 Q1163 L1264 Q1265 W1266 Y1382 | F1162-L1280 WeakPolarHBondContact CB-O 3.36Å; F1162-L1280 HydrophobicContact CD1-CD2 3.87Å; F1162-L1280 HydrophobicContact CD1-CG 4.44Å; F1162-L1280 PolarHBondContact N-O 3.41Å; F1162-L1280 VanDerWaalsContact N-O 3.12Å; Q1163-L1280 HydrophobicContact CG-CB 3.75Å; Q1163-L1280 HydrophobicContact CG-CD2 4.01Å; Q1163-L1280 HydrophobicContact CG-CG 4.44Å; Q1163-L1280 PolarHBondContact N-O 3.03Å; Q1163-L1280 PolarHBondContact O-N 2.92Å; L1264-L1280 HydrophobicContact CB-CD1 3.61Å; L1264-L1280 HydrophobicContact CB-CD2 4.46Å; L1264-L1280 HydrophobicContact CB-CG 3.88Å; L1264-L1280 HydrophobicContact CD1-CD2 4.42Å; L1264-L1280 HydrophobicContact CD1-CG 4.36Å; Q1265-L1280 VanDerWaalsContact C-CD1 3.44Å; Q1265-L1280 WeakPolarHBondContact O-CA 3.49Å; W1266-L1280 HydrophobicContact CD2-CB 3.9Å; W1266-L1280 HydrophobicContact CD2-CD1 4.11Å; W1266-L1280 HydrophobicContact CD2-CG 4.47Å; W1266-L1280 HydrophobicContact CE3-CB 3.75Å; W1266-L1280 HydrophobicContact CG-CD1 4.12Å; W1266-L1280 HydrophobicContact CH2-CB 3.81Å; W1266-L1280 HydrophobicContact CZ2-CB 3.94Å; W1266-L1280 HydrophobicContact CZ2-CD2 3.95Å; W1266-L1280 HydrophobicContact CZ2-CG 4.41Å; W1266-L1280 HydrophobicContact CZ3-CB 3.7Å; L1280-Y1382 HydrophobicContact CD1-CD1 4.13Å; L1280-Y1382 HydrophobicContact CD1-CE1 4.31Å; L1280-Y1382 HydrophobicContact CD2-CD1 3.85Å |
| 1281 | A | 93.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 166.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1160 I1161 Q1265 Y1267 I1279 F1283 | Y1160-A1281 CarbonylContact O-C 3.5Å; Y1160-A1281 WeakPolarHBondContact O-CA 3.43Å; Y1160-A1281 WeakPolarHBondContact O-CB 3.4Å; I1161-A1281 HydrophobicContact CD1-CB 4.07Å; Q1265-A1281 PolarHBondContact N-O 2.96Å; Q1265-A1281 PolarHBondContact O-N 3.43Å; Y1267-A1281 WeakPolarHBondContact CE2-O 3.3Å; I1279-A1281 HydrophobicContact CG1-CB 4.48Å; A1281-F1283 HydrophobicContact CB-CE2 3.58Å; A1281-F1283 HydrophobicContact CB-CZ 3.85Å |
| 1282 | A | 91.8 | Very high | 84.2 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y1160 L1264 | Y1160-A1282 WeakPolarHBondContact CB-O 3.33Å; Y1160-A1282 HydrophobicContact CD2-CB 4.03Å; Y1160-A1282 WeakPolarHBondContact CD2-O 3.13Å; Y1160-A1282 PolarHBondContact N-O 3.09Å; Y1160-A1282 PolarHBondContact O-N 3.47Å; L1264-A1282 HydrophobicContact CD2-CB 4.01Å |
| 1283 | F | 93 | Very high | 84.4 | Confident | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 129.9 | -174.1 | -59.1 | -94.3 | 0 | 0 | 0 | 110 | R1158 A1159 I1161 V1227 I1229 I1248 P1250 A1251 A1281 | R1158-F1283 WeakPolarHBondContact O-CA 3.45Å; A1159-F1283 HydrophobicContact CB-CD1 3.48Å; A1159-F1283 VanDerWaalsContact CB-CD1 3.48Å; A1159-F1283 HydrophobicContact CB-CE1 3.44Å; A1159-F1283 VanDerWaalsContact CB-CE1 3.44Å; I1161-F1283 HydrophobicContact CD1-CE1 3.95Å; I1161-F1283 HydrophobicContact CD1-CZ 3.73Å; V1227-F1283 HydrophobicContact CB-CD1 4.21Å; V1227-F1283 HydrophobicContact CB-CE1 4.42Å; V1227-F1283 HydrophobicContact CG1-CD1 3.95Å; V1227-F1283 HydrophobicContact CG1-CE1 3.85Å; V1227-F1283 HydrophobicContact CG2-CD1 4.05Å; V1227-F1283 HydrophobicContact CG2-CG 4.44Å; I1229-F1283 HydrophobicContact CD1-CE1 3.67Å; I1229-F1283 HydrophobicContact CD1-CZ 3.65Å; I1229-F1283 HydrophobicContact CG1-CE1 4.34Å; I1229-F1283 HydrophobicContact CG1-CZ 3.91Å; I1248-F1283 HydrophobicContact CB-CD2 4.27Å; I1248-F1283 HydrophobicContact CB-CE2 4.25Å; I1248-F1283 HydrophobicContact CD1-CD2 4.12Å; I1248-F1283 HydrophobicContact CD1-CE2 3.33Å; I1248-F1283 HydrophobicContact CD1-CZ 3.91Å; I1248-F1283 HydrophobicContact CG1-CE2 4.39Å; I1248-F1283 HydrophobicContact CG2-CD2 3.63Å; I1248-F1283 HydrophobicContact CG2-CE2 3.99Å; I1248-F1283 HydrophobicContact CG2-CG 4.44Å; P1250-F1283 HydrophobicContact CB-CB 3.92Å; A1251-F1283 PolarHBondContact N-O 3.03Å; A1281-F1283 HydrophobicContact CB-CE2 3.58Å; A1281-F1283 HydrophobicContact CB-CZ 3.85Å |
| 1284 | E | 90.6 | Very high | 84.8 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.8 | 175.7 | 64.9 | 176.8 | 178.1 | 0 | 0 | 112.3 | L1157 R1158 Y1160 A1251 R1253 N1262 I1286 | L1157-E1284 CarbonylContact C-O 3.57Å; L1157-E1284 VanDerWaalsContact CA-O 3.29Å; L1157-E1284 WeakPolarHBondContact CA-O 3.37Å; L1157-E1284 WeakPolarHBondContact CD1-O 3.45Å; R1158-E1284 HydrophobicContact CB-CG 3.78Å; R1158-E1284 WeakPolarHBondContact CD-OE1 3.18Å; R1158-E1284 HydrophobicContact CG-CG 4.49Å; R1158-E1284 PolarHBondContact N-O 3.21Å; R1158-E1284 IonicContact NH1-OE1 2.86Å; R1158-E1284 PolarHBondContact O-N 3.22Å; Y1160-E1284 HydrophobicContact CE2-CG 3.79Å; Y1160-E1284 PolarHBondContact OH-OE1 2.96Å; A1251-E1284 CarbonylContact O-C 3.5Å; A1251-E1284 WeakPolarHBondContact O-CA 3.44Å; R1253-E1284 IonicContact NH1-OE2 3.24Å; R1253-E1284 PolarHBondContact NH1-OE2 2.87Å; N1262-E1284 WeakPolarHBondContact ND2-CB 2.91Å; N1262-E1284 PolarHBondContact ND2-OE2 3.34Å; E1284-I1286 HydrophobicContact CG-CD1 4.18Å; E1284-I1286 HydrophobicContact CG-CG1 4.27Å |
| 1285 | L | 93 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112 | 179.5 | -179.1 | 67.8 | 0 | 0 | 0 | 108.9 | W1155 L1157 F1184 M1213 I1220 P1250 A1251 V1252 R1253 | W1155-L1285 HydrophobicContact CB-CD1 3.91Å; W1155-L1285 HydrophobicContact CD2-CD1 4.48Å; W1155-L1285 HydrophobicContact CD2-CG 4.31Å; W1155-L1285 HydrophobicContact CE3-CD1 4.16Å; W1155-L1285 HydrophobicContact CE3-CD2 4.12Å; W1155-L1285 HydrophobicContact CE3-CG 3.63Å; W1155-L1285 HydrophobicContact CG-CD1 4.45Å; W1155-L1285 HydrophobicContact CZ3-CD2 4.36Å; W1155-L1285 HydrophobicContact CZ3-CG 4.12Å; L1157-L1285 HydrophobicContact CB-CD1 4.02Å; L1157-L1285 HydrophobicContact CD1-CB 4.31Å; L1157-L1285 HydrophobicContact CD1-CD1 4.48Å; F1184-L1285 HydrophobicContact CE1-CD1 3.84Å; F1184-L1285 HydrophobicContact CZ-CD1 3.93Å; F1184-L1285 HydrophobicContact CZ-CD2 4.05Å; M1213-L1285 HydrophobicContact CE-CD1 4.2Å; M1213-L1285 HydrophobicContact CE-CD2 4.06Å; I1220-L1285 HydrophobicContact CG2-CD2 3.94Å; P1250-L1285 HydrophobicContact CB-CB 4.1Å; P1250-L1285 HydrophobicContact CG-CB 4.15Å; P1250-L1285 HydrophobicContact CG-CD2 4.38Å; A1251-L1285 PolarHBondContact O-N 3.19Å; V1252-L1285 CarbonylContact C-O 3.52Å; V1252-L1285 WeakPolarHBondContact CA-O 3.28Å; V1252-L1285 HydrophobicContact CG2-CB 4.4Å; V1252-L1285 HydrophobicContact CG2-CD2 4.15Å; R1253-L1285 PolarHBondContact N-O 2.81Å |
| 1286 | I | 90.5 | Very high | 85 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.6 | -168.3 | -48.3 | 176.8 | 0 | 0 | 0 | 110 | W1155 H1156 T1256 E1284 L1288 P1294 | W1155-I1286 CarbonylContact C-O 3.4Å; W1155-I1286 VanDerWaalsContact CA-O 3.29Å; W1155-I1286 WeakPolarHBondContact CA-O 3.1Å; H1156-I1286 HydrophobicContact CB-CB 4.47Å; H1156-I1286 PolarHBondContact N-O 3.26Å; H1156-I1286 PolarHBondContact O-N 3.13Å; T1256-I1286 HydrophobicContact CG2-CG2 4.09Å; E1284-I1286 HydrophobicContact CG-CD1 4.18Å; E1284-I1286 HydrophobicContact CG-CG1 4.27Å; I1286-L1288 HydrophobicContact CG2-CD2 4.29Å; I1286-P1294 HydrophobicContact CD1-CG 3.73Å |
| 1287 | L | 91.7 | Very high | 85.1 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.1 | 172.8 | -176.2 | 65.5 | 0 | 0 | 0 | 110.5 | H1153 W1155 P1217 R1253 L1254 T1256 | H1153-L1287 HydrophobicContact CB-CD1 3.82Å; W1155-L1287 HydrophobicContact CD2-CB 4.43Å; W1155-L1287 HydrophobicContact CD2-CD1 4Å; W1155-L1287 HydrophobicContact CE3-CB 3.96Å; W1155-L1287 HydrophobicContact CE3-CD1 4.36Å; W1155-L1287 HydrophobicContact CH2-CB 4.1Å; W1155-L1287 HydrophobicContact CH2-CD1 4.27Å; W1155-L1287 HydrophobicContact CZ2-CD1 3.84Å; W1155-L1287 HydrophobicContact CZ3-CB 3.78Å; W1155-L1287 HydrophobicContact CZ3-CD1 4.49Å; P1217-L1287 HydrophobicContact CB-CD2 3.96Å; P1217-L1287 HydrophobicContact CG-CD1 4.44Å; P1217-L1287 HydrophobicContact CG-CD2 3.99Å; R1253-L1287 PolarHBondContact O-N 2.79Å; L1254-L1287 HydrophobicContact CD2-CD2 4.4Å; T1256-L1287 WeakPolarHBondContact CG2-O 3.32Å |
| 1288 | L | 84.1 | Confident | 84.9 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | trans | -106 | -47.9 | -178.3 | -61.9 | -171.6 | 0 | 0 | 0 | 113.6 | I1154 H1156 T1256 I1286 G1290 K1291 P1293 | I1154-L1288 HydrophobicContact CG2-CB 4.5Å; I1154-L1288 WeakPolarHBondContact O-CB 3.06Å; I1154-L1288 PolarHBondContact O-N 2.92Å; H1156-L1288 HydrophobicContact CB-CD1 3.76Å; H1156-L1288 HydrophobicContact CB-CD2 4.19Å; H1156-L1288 HydrophobicContact CB-CG 3.92Å; T1256-L1288 HydrophobicContact CG2-CD2 4.22Å; I1286-L1288 HydrophobicContact CG2-CD2 4.29Å; L1288-G1290 VanDerWaalsContact C-N 3.34Å; L1288-G1290 PolarHBondContact O-N 2.88Å; L1288-K1291 WeakPolarHBondContact O-CA 3.5Å; L1288-K1291 WeakPolarHBondContact O-CB 3.33Å; L1288-K1291 WeakPolarHBondContact O-CG 3.19Å; L1288-K1291 PolarHBondContact O-N 3.36Å; L1288-P1293 HydrophobicContact CD1-CB 3.98Å; L1288-P1293 HydrophobicContact CD1-CG 4.47Å; L1288-P1293 HydrophobicContact CD2-CB 4.05Å | ||
| 1289 | D | 78.1 | Confident | 84.3 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 31.5 | 58.2 | 177.8 | -71.4 | -5.5 | 0 | 0 | 0 | 116.2 | H1153 I1154 K1291 | H1153-D1289 WeakPolarHBondContact CA-OD1 3.26Å; H1153-D1289 IonicContact CE1-OD2 2.7Å; H1153-D1289 IonicContact CG-OD1 3.37Å; H1153-D1289 IonicContact CG-OD2 3.99Å; H1153-D1289 IonicContact ND1-OD1 3.44Å; H1153-D1289 PolarHBondContact ND1-OD1 2.95Å; H1153-D1289 IonicContact ND1-OD2 3.5Å; H1153-D1289 PolarHBondContact ND1-OD2 2.6Å; I1154-D1289 PolarHBondContact N-OD1 3.16Å; D1289-K1291 VanDerWaalsContact C-N 3.33Å; D1289-K1291 PolarHBondContact O-N 3.31Å |
| 1290 | G | 71.2 | Confident | 83.5 | Confident | 84 Ų | 84 | 51.7 Ų | 51.7 | 87% | 0.866 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -9.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1288 | L1288-G1290 VanDerWaalsContact C-N 3.34Å; L1288-G1290 PolarHBondContact O-N 2.88Å |
| 1291 | K | 78.5 | Confident | 82.8 | Confident | 102 Ų | 102 | 55.2 Ų | 55.2 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -78.9 | 153.5 | 168.9 | -55.1 | -177.7 | -179.7 | 177.1 | 0 | 109.8 | D1255 T1256 L1288 D1289 | D1255-K1291 IonicContact OD1-NZ 3.81Å; D1255-K1291 PolarHBondContact OD1-NZ 3.24Å; T1256-K1291 HydrophobicContact CG2-CB 4.31Å; T1256-K1291 HydrophobicContact CG2-CD 3.98Å; T1256-K1291 VanDerWaalsContact OG1-CD 3.26Å; T1256-K1291 WeakPolarHBondContact OG1-CD 3.17Å; L1288-K1291 WeakPolarHBondContact O-CA 3.5Å; L1288-K1291 WeakPolarHBondContact O-CB 3.33Å; L1288-K1291 WeakPolarHBondContact O-CG 3.19Å; L1288-K1291 PolarHBondContact O-N 3.36Å; D1289-K1291 VanDerWaalsContact C-N 3.33Å; D1289-K1291 PolarHBondContact O-N 3.31Å |
| 1292 | S | 76 | Confident | 81.9 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 69% | 0.685 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 141.8 | 172.1 | 54 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1293 | P | 76.9 | Confident | 81.5 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 155.3 | 170.4 | 25.7 | -32.6 | 0 | 0 | 0 | 110.3 | L1288 | L1288-P1293 HydrophobicContact CD1-CB 3.98Å; L1288-P1293 HydrophobicContact CD1-CG 4.47Å; L1288-P1293 HydrophobicContact CD2-CB 4.05Å |
| 1294 | P | 77.9 | Confident | 81.2 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 151.3 | 170.8 | -20.2 | 30.1 | 0 | 0 | 0 | 110 | R1158 I1286 | R1158-P1294 PolarHBondContact NH2-O 3.26Å; I1286-P1294 HydrophobicContact CD1-CG 3.73Å |
| 1295 | P | 79.6 | Confident | 81 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 71% | 0.708 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 139 | 178.4 | 23.2 | -32.9 | 0 | 0 | 0 | 109.7 | R1158 | R1158-P1295 PolarHBondContact NH2-O 2.9Š|
| 1296 | P | 75.3 | Confident | 80.8 | Confident | 80 Ų | 80 | 64.3 Ų | 64.3 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 151.3 | 178.6 | 23.8 | -31.7 | 0 | 0 | 0 | 110.5 | F1304 | P1296-F1304 HydrophobicContact CB-CD1 4.05Å; P1296-F1304 HydrophobicContact CB-CE1 3.52Å; P1296-F1304 HydrophobicContact CB-CZ 4.38Å; P1296-F1304 HydrophobicContact CG-CE1 4.44Å |
| 1297 | P | 82.8 | Confident | 80.7 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 10% | 0.104 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 169.3 | 171.3 | -20.3 | 32.3 | 0 | 0 | 0 | 112.4 | T1205 F1304 N1305 P1307 | T1205-P1297 HydrophobicContact CG2-CG 4.17Å; P1297-F1304 HydrophobicContact CB-CB 4.46Å; P1297-N1305 WeakPolarHBondContact CB-O 3.46Å; P1297-P1307 HydrophobicContact CB-CG 4.15Å; P1297-P1307 HydrophobicContact CG-CG 4Å |
| 1298 | T | 83.8 | Confident | 80.1 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 149.4 | 173.2 | 60.2 | 0 | 0 | 0 | 0 | 110.4 | N1305 | T1298-N1305 VanDerWaalsContact O-CB 3.31Å; T1298-N1305 WeakPolarHBondContact O-CB 3.27Å; T1298-N1305 PolarHBondContact O-N 2.64Å; T1298-N1305 WeakPolarHBondContact OG1-CB 3.29Å; T1298-N1305 PolarHBondContact OG1-ND2 2.97Å; T1298-N1305 VanDerWaalsContact OG1-ND2 3.12Å |
| 1299 | R | 78.7 | Confident | 79.8 | Confident | 163 Ų | 163 | 74.5 Ų | 74.5 | 62% | 0.615 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 147.6 | -179 | -71.2 | -174.4 | 178.5 | -179.2 | 2.9 | 112.4 | L1303 F1304 | R1299-L1303 CarbonylContact C-O 3.11Å; R1299-L1303 WeakPolarHBondContact CA-O 3.28Å; R1299-L1303 WeakPolarHBondContact CB-O 3.33Å; R1299-F1304 HydrophobicContact CG-CD1 3.64Å; R1299-F1304 HydrophobicContact CG-CE1 3.8Å; R1299-F1304 HydrophobicContact CG-CG 4.42Å |
| 1300 | R | 74.6 | Confident | 79.9 | Confident | 145 Ų | 145 | 72 Ų | 72 | 55% | 0.547 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 97.4 | 165.1 | -173.1 | -171.1 | -51.7 | -177.2 | 7.8 | 108.1 | D1203 T1302 L1303 N1305 | D1203-R1300 IonicContact OD2-NH2 2.87Å; D1203-R1300 PolarHBondContact OD2-NH2 3.15Å; R1300-T1302 PolarHBondContact O-N 3.16Å; R1300-L1303 PolarHBondContact N-O 3.38Å; R1300-L1303 PolarHBondContact O-N 2.78Å; R1300-N1305 PolarHBondContact NE-OD1 2.86Å; R1300-N1305 PolarHBondContact NH2-OD1 3.1Å |
| 1301 | G | 77.9 | Confident | 80.5 | Confident | 74 Ų | 74 | 69.9 Ų | 69.9 | 76% | 0.763 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -120.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1302 | T | 73 | Confident | 80.7 | Confident | 126 Ų | 126 | 65.3 Ų | 65.3 | 77% | 0.773 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.8 | 177.7 | 52.6 | 0 | 0 | 0 | 0 | 114 | R1300 | R1300-T1302 PolarHBondContact O-N 3.16Š|
| 1303 | L | 84.1 | Confident | 81 | Confident | 36 Ų | 36 | 65 Ų | 65 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 152.5 | -178 | -56 | 177.7 | 0 | 0 | 0 | 112.6 | Q1192 E1204 R1299 R1300 | Q1192-L1303 HydrophobicContact CG-CD1 3.72Å; Q1192-L1303 HydrophobicContact CG-CD2 4.12Å; Q1192-L1303 HydrophobicContact CG-CG 4.46Å; E1204-L1303 HydrophobicContact CG-CD1 4.01Å; R1299-L1303 CarbonylContact C-O 3.11Å; R1299-L1303 WeakPolarHBondContact CA-O 3.28Å; R1299-L1303 WeakPolarHBondContact CB-O 3.33Å; R1300-L1303 PolarHBondContact N-O 3.38Å; R1300-L1303 PolarHBondContact O-N 2.78Å |
| 1304 | F | 86.3 | Confident | 81.5 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 14% | 0.14 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.8 | 169.1 | -60.5 | -84.7 | 0 | 0 | 0 | 110.5 | E1204 T1205 I1207 P1296 P1297 R1299 | E1204-F1304 CarbonylContact C-O 3.46Å; E1204-F1304 WeakPolarHBondContact CA-O 3.31Å; T1205-F1304 PolarHBondContact N-O 3.4Å; I1207-F1304 HydrophobicContact CD1-CB 4.35Å; I1207-F1304 HydrophobicContact CD1-CD1 3.92Å; I1207-F1304 HydrophobicContact CD1-CD2 3.63Å; I1207-F1304 HydrophobicContact CD1-CE1 3.99Å; I1207-F1304 HydrophobicContact CD1-CE2 3.72Å; I1207-F1304 HydrophobicContact CD1-CG 3.71Å; I1207-F1304 HydrophobicContact CD1-CZ 3.87Å; I1207-F1304 HydrophobicContact CG1-CD2 4.08Å; I1207-F1304 HydrophobicContact CG1-CE2 4.35Å; I1207-F1304 HydrophobicContact CG1-CG 4.44Å; P1296-F1304 HydrophobicContact CB-CD1 4.05Å; P1296-F1304 HydrophobicContact CB-CE1 3.52Å; P1296-F1304 HydrophobicContact CB-CZ 4.38Å; P1296-F1304 HydrophobicContact CG-CE1 4.44Å; P1297-F1304 HydrophobicContact CB-CB 4.46Å; R1299-F1304 HydrophobicContact CG-CD1 3.64Å; R1299-F1304 HydrophobicContact CG-CE1 3.8Å; R1299-F1304 HydrophobicContact CG-CG 4.42Å |
| 1305 | N | 87.9 | Confident | 82 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 10% | 0.096 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 154.7 | 174.2 | -75.2 | -36.5 | 0 | 0 | 0 | 111.2 | D1203 T1205 P1297 T1298 R1300 | D1203-N1305 WeakPolarHBondContact O-CA 3.49Å; T1205-N1305 PolarHBondContact OG1-O 2.75Å; P1297-N1305 WeakPolarHBondContact CB-O 3.46Å; T1298-N1305 VanDerWaalsContact O-CB 3.31Å; T1298-N1305 WeakPolarHBondContact O-CB 3.27Å; T1298-N1305 PolarHBondContact O-N 2.64Å; T1298-N1305 WeakPolarHBondContact OG1-CB 3.29Å; T1298-N1305 PolarHBondContact OG1-ND2 2.97Å; T1298-N1305 VanDerWaalsContact OG1-ND2 3.12Å; R1300-N1305 PolarHBondContact NE-OD1 2.86Å; R1300-N1305 PolarHBondContact NH2-OD1 3.1Å |
| 1306 | V | 88.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 134.9 | 163.8 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | Y1160 F1162 D1203 T1205 I1310 R1311 | Y1160-V1306 HydrophobicContact CD1-CG1 4.25Å; F1162-V1306 HydrophobicContact CD2-CB 4.44Å; F1162-V1306 HydrophobicContact CD2-CG2 4.17Å; D1203-V1306 PolarHBondContact O-N 2.74Å; D1203-V1306 WeakPolarHBondContact OD1-CB 3.21Å; D1203-V1306 PolarHBondContact OD1-N 3.04Å; T1205-V1306 WeakPolarHBondContact OG1-CA 3.36Å; V1306-I1310 HydrophobicContact CG1-CB 4.02Å; V1306-I1310 HydrophobicContact CG1-CG2 3.9Å; V1306-R1311 HydrophobicContact CB-CG 4.06Å; V1306-R1311 HydrophobicContact CG1-CG 3.97Å; V1306-R1311 WeakPolarHBondContact O-CD 3.47Å; V1306-R1311 PolarHBondContact O-NE 3.27Å |
| 1307 | P | 87.2 | Confident | 83.4 | Confident | 31 Ų | 31 | 62 Ų | 62 | 20% | 0.201 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 144 | 179.8 | -25.5 | 33.7 | 0 | 0 | 0 | 114 | Y1160 P1297 G1309 I1310 R1311 | Y1160-P1307 HydrophobicContact CD1-CG 4.48Å; Y1160-P1307 HydrophobicContact CE1-CG 3.74Å; P1297-P1307 HydrophobicContact CB-CG 4.15Å; P1297-P1307 HydrophobicContact CG-CG 4Å; P1307-G1309 PolarHBondContact O-N 2.79Å; P1307-G1309 VanDerWaalsContact O-N 3.12Å; P1307-I1310 HydrophobicContact CB-CD1 4.46Å; P1307-I1310 HydrophobicContact CB-CG1 4.48Å; P1307-I1310 HydrophobicContact CG-CD1 4.17Å; P1307-I1310 PolarHBondContact O-N 3.3Å; P1307-R1311 PolarHBondContact O-N 2.87Å |
| 1308 | E | 80.4 | Confident | 83.9 | Confident | 133 Ų | 133 | 61.2 Ų | 61.2 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.1 | 179.3 | -65.9 | -60.1 | 150.1 | 0 | 0 | 114 | I1310 R1311 | E1308-I1310 VanDerWaalsContact C-N 3.3Å; E1308-I1310 PolarHBondContact O-N 3.44Å; E1308-R1311 IonicContact OE1-CZ 3.74Å; E1308-R1311 IonicContact OE1-NH1 3.27Å; E1308-R1311 PolarHBondContact OE1-NH1 3.28Å |
| 1309 | G | 77.4 | Confident | 84.4 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 77% | 0.773 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -13.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | P1307 | P1307-G1309 PolarHBondContact O-N 2.79Å; P1307-G1309 VanDerWaalsContact O-N 3.12Å |
| 1310 | I | 80.3 | Confident | 85 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -31 | 177.2 | -60.5 | 178.2 | 0 | 0 | 0 | 110.2 | Y1160 N1262 L1264 V1306 P1307 E1308 | Y1160-I1310 HydrophobicContact CD1-CD1 4.23Å; Y1160-I1310 HydrophobicContact CD2-CD1 3.82Å; Y1160-I1310 HydrophobicContact CE1-CD1 3.92Å; Y1160-I1310 HydrophobicContact CE2-CD1 3.47Å; Y1160-I1310 VanDerWaalsContact CE2-CD1 3.47Å; Y1160-I1310 HydrophobicContact CG-CD1 4.17Å; N1262-I1310 HydrophobicContact CB-CD1 4.27Å; L1264-I1310 HydrophobicContact CD1-CG2 4.45Å; L1264-I1310 HydrophobicContact CD2-CG2 4.07Å; L1264-I1310 HydrophobicContact CG-CG2 3.87Å; V1306-I1310 HydrophobicContact CG1-CB 4.02Å; V1306-I1310 HydrophobicContact CG1-CG2 3.9Å; P1307-I1310 HydrophobicContact CB-CD1 4.46Å; P1307-I1310 HydrophobicContact CB-CG1 4.48Å; P1307-I1310 HydrophobicContact CG-CD1 4.17Å; P1307-I1310 PolarHBondContact O-N 3.3Å; E1308-I1310 VanDerWaalsContact C-N 3.3Å; E1308-I1310 PolarHBondContact O-N 3.44Å |
| 1311 | R | 83.2 | Confident | 86 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -57.9 | 140.2 | 175.6 | -77.7 | -179.4 | 173.4 | 167.8 | -1 | 110.4 | F1162 D1203 V1306 P1307 E1308 V1313 | F1162-R1311 HydrophobicContact CE2-CG 4.32Å; D1203-R1311 IonicContact OD1-CZ 2.71Å; D1203-R1311 VanDerWaalsContact OD1-CZ 3.26Å; D1203-R1311 IonicContact OD1-NE 2.99Å; D1203-R1311 PolarHBondContact OD1-NE 3.02Å; D1203-R1311 IonicContact OD1-NH2 2.63Å; D1203-R1311 PolarHBondContact OD1-NH2 3.48Å; D1203-R1311 IonicContact OD2-CZ 2.65Å; D1203-R1311 IonicContact OD2-NE 2.73Å; D1203-R1311 IonicContact OD2-NH2 3.98Å; D1203-R1311 PolarHBondContact OD2-NH2 3.11Å; V1306-R1311 HydrophobicContact CB-CG 4.06Å; V1306-R1311 HydrophobicContact CG1-CG 3.97Å; V1306-R1311 WeakPolarHBondContact O-CD 3.47Å; V1306-R1311 PolarHBondContact O-NE 3.27Å; P1307-R1311 PolarHBondContact O-N 2.87Å; E1308-R1311 IonicContact OE1-CZ 3.74Å; E1308-R1311 IonicContact OE1-NH1 3.27Å; E1308-R1311 PolarHBondContact OE1-NH1 3.28Å; R1311-V1313 PolarHBondContact O-N 3.33Å |
| 1312 | P | 82.5 | Confident | 86.7 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 135.6 | 171.6 | -22.8 | 33.9 | 0 | 0 | 0 | 111.1 | F1162 L1264 L1314 P1377 Y1382 | F1162-P1312 HydrophobicContact CE1-CG 3.99Å; F1162-P1312 HydrophobicContact CZ-CG 4.21Å; L1264-P1312 HydrophobicContact CD1-CG 4.25Å; P1312-L1314 PolarHBondContact O-N 2.92Å; P1312-P1377 HydrophobicContact CB-CB 3.69Å; P1312-P1377 HydrophobicContact CB-CG 3.76Å; P1312-P1377 HydrophobicContact CG-CG 4.34Å; P1312-Y1382 HydrophobicContact CB-CD2 3.6Å; P1312-Y1382 HydrophobicContact CB-CE2 4.42Å; P1312-Y1382 HydrophobicContact CB-CG 3.89Å; P1312-Y1382 HydrophobicContact CG-CD1 4.26Å; P1312-Y1382 HydrophobicContact CG-CD2 3.73Å; P1312-Y1382 HydrophobicContact CG-CE2 4.45Å; P1312-Y1382 HydrophobicContact CG-CG 3.6Å |
| 1313 | V | 83.1 | Confident | 87.7 | Confident | 90 Ų | 90 | 33.2 Ų | 33.2 | 55% | 0.545 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 118.8 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | R1311 P1377 K1378 | R1311-V1313 PolarHBondContact O-N 3.33Å; V1313-P1377 WeakPolarHBondContact O-CA 3.46Å; V1313-K1378 PolarHBondContact O-N 2.9Å |
| 1314 | L | 87.4 | Confident | 88.1 | Confident | 94 Ų | 94 | 31.6 Ų | 31.6 | 49% | 0.492 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 138.4 | -179.1 | -56.5 | 179.8 | 0 | 0 | 0 | 111.3 | P1312 L1375 L1376 P1377 | P1312-L1314 PolarHBondContact O-N 2.92Å; L1314-L1375 HydrophobicContact CB-CB 4.12Å; L1314-L1375 HydrophobicContact CD1-CB 4.01Å; L1314-L1376 CarbonylContact C-O 3.59Å; L1314-L1376 WeakPolarHBondContact CA-O 3.46Å; L1314-P1377 HydrophobicContact CD2-CG 3.96Å |
| 1315 | Q | 88.4 | Confident | 88.4 | Confident | 66 Ų | 66 | 30.1 Ų | 30.1 | 31% | 0.308 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 144.7 | 170.3 | -176.7 | 174.6 | 28.1 | 0 | 0 | 108.7 | T1317 L1375 L1376 K1378 P1551 | Q1315-T1317 PolarHBondContact O-N 2.83Å; Q1315-T1317 PolarHBondContact O-OG1 3.42Å; Q1315-L1375 WeakPolarHBondContact O-CA 3.33Å; Q1315-L1376 PolarHBondContact N-O 3.23Å; Q1315-L1376 PolarHBondContact O-N 3.14Å; Q1315-K1378 HydrophobicContact CB-CB 4.47Å; Q1315-P1551 HydrophobicContact CG-CB 4.49Å; Q1315-P1551 VanDerWaalsContact NE2-CB 3.32Å |
| 1316 | R | 92.2 | Very high | 88.8 | Confident | 38 Ų | 38 | 29.2 Ų | 29.2 | 14% | 0.143 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 119 | 170.9 | -165 | -175.5 | 174.8 | -162.3 | 3.1 | 109.1 | D1373 L1375 L1552 P1553 | R1316-D1373 VanDerWaalsContact CG-OD1 3.29Å; R1316-D1373 WeakPolarHBondContact CG-OD1 3.41Å; R1316-D1373 IonicContact CZ-OD2 2.9Å; R1316-D1373 VanDerWaalsContact CZ-OD2 3.28Å; R1316-D1373 IonicContact NE-OD1 2.75Å; R1316-D1373 PolarHBondContact NE-OD1 3.32Å; R1316-D1373 IonicContact NE-OD2 3.49Å; R1316-D1373 PolarHBondContact NE-OD2 2.93Å; R1316-D1373 IonicContact NH2-OD2 2.8Å; R1316-D1373 PolarHBondContact NH2-OD2 3.36Å; R1316-L1375 HydrophobicContact CB-CD2 4.17Å; R1316-L1552 HydrophobicContact CB-CB 4.38Å; R1316-L1552 HydrophobicContact CG-CB 4.04Å; R1316-L1552 HydrophobicContact CG-CD1 4.22Å; R1316-L1552 PolarHBondContact O-N 2.76Å; R1316-P1553 WeakPolarHBondContact CD-O 3.48Å; R1316-P1553 PolarHBondContact NH1-O 2.83Å |
| 1317 | T | 91.9 | Very high | 88.9 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.9 | -172.9 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | Q1315 V1374 L1376 I1549 Y1550 | Q1315-T1317 PolarHBondContact O-N 2.83Å; Q1315-T1317 PolarHBondContact O-OG1 3.42Å; T1317-V1374 PolarHBondContact N-O 3.27Å; T1317-V1374 PolarHBondContact O-N 2.72Å; T1317-V1374 VanDerWaalsContact O-O 3.08Å; T1317-L1376 HydrophobicContact CG2-CD1 4.01Å; T1317-I1549 HydrophobicContact CG2-CG2 3.48Å; T1317-I1549 VanDerWaalsContact CG2-CG2 3.48Å; T1317-Y1550 WeakPolarHBondContact CG2-O 3.07Å |
| 1318 | G | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L1372 I1549 Y1550 | G1318-L1372 WeakPolarHBondContact CA-O 3.49Å; G1318-I1549 WeakPolarHBondContact O-CA 3.22Å; G1318-Y1550 PolarHBondContact N-O 3.01Å; G1318-Y1550 PolarHBondContact O-N 2.93Å |
| 1319 | I | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 107.1 | 167.1 | -49.8 | 174.9 | 0 | 0 | 0 | 107.1 | I1321 I1346 F1371 L1372 V1374 L1376 F1547 R1548 I1549 | I1319-I1321 HydrophobicContact CG2-CG1 3.88Å; I1319-I1346 HydrophobicContact CD1-CD1 4.04Å; I1319-I1346 HydrophobicContact CD1-CG2 3.63Å; I1319-F1371 WeakPolarHBondContact O-CA 3.48Å; I1319-L1372 HydrophobicContact CB-CB 4.17Å; I1319-L1372 HydrophobicContact CD1-CD1 4.36Å; I1319-L1372 PolarHBondContact N-O 3.43Å; I1319-L1372 PolarHBondContact O-N 3.38Å; I1319-V1374 HydrophobicContact CD1-CG1 3.78Å; I1319-V1374 HydrophobicContact CG1-CG1 4.01Å; I1319-L1376 HydrophobicContact CD1-CD1 4.1Å; I1319-L1376 HydrophobicContact CG1-CD1 4.45Å; I1319-F1547 HydrophobicContact CG2-CB 4.44Å; I1319-F1547 HydrophobicContact CG2-CD1 4.32Å; I1319-R1548 WeakPolarHBondContact CA-O 3.05Å; I1319-I1549 HydrophobicContact CG1-CG1 4.26Å; I1319-I1549 HydrophobicContact CG1-CG2 4.49Å; I1319-I1549 HydrophobicContact CG2-CG1 4.15Å |
| 1320 | E | 93.3 | Very high | 90 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 130.4 | 163.7 | -65.6 | -178.5 | -131.3 | 0 | 0 | 109.1 | F1371 F1547 R1548 Y1550 R1563 Y1564 F1565 | E1320-F1371 HydrophobicContact CG-CD2 3.84Å; E1320-F1371 HydrophobicContact CG-CE2 4.18Å; E1320-F1547 CarbonylContact O-C 3.53Å; E1320-F1547 VanDerWaalsContact O-CA 3.27Å; E1320-F1547 WeakPolarHBondContact O-CA 3.3Å; E1320-R1548 HydrophobicContact CB-CB 4.23Å; E1320-R1548 PolarHBondContact N-O 3.38Å; E1320-R1548 PolarHBondContact O-N 3.32Å; E1320-Y1550 HydrophobicContact CG-CE1 3.89Å; E1320-Y1550 WeakPolarHBondContact OE1-CE1 3.29Å; E1320-Y1550 PolarHBondContact OE1-OH 3.36Å; E1320-R1563 HydrophobicContact CG-CG 4.46Å; E1320-R1563 WeakPolarHBondContact OE1-CA 3.41Å; E1320-R1563 WeakPolarHBondContact OE2-CB 3.14Å; E1320-Y1564 VanDerWaalsContact CD-N 3.29Å; E1320-Y1564 PolarHBondContact OE1-N 3.27Å; E1320-Y1564 PolarHBondContact OE2-N 3.36Å; E1320-F1565 HydrophobicContact CB-CD2 3.65Å; E1320-F1565 HydrophobicContact CB-CE2 3.77Å; E1320-F1565 PolarHBondContact OE2-N 3.29Å |
| 1321 | I | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.1 | -179.6 | -57.2 | 160.3 | 0 | 0 | 0 | 108 | I1319 C1323 F1344 V1351 L1370 L1372 F1547 | I1319-I1321 HydrophobicContact CG2-CG1 3.88Å; I1321-C1323 HydrophobicContact CG2-CB 4.16Å; I1321-C1323 PolarHBondContact O-N 3.1Å; I1321-F1344 HydrophobicContact CD1-CB 4.08Å; I1321-F1344 HydrophobicContact CD1-CD1 4.49Å; I1321-F1344 HydrophobicContact CD1-CD2 4.22Å; I1321-F1344 HydrophobicContact CD1-CG 4.02Å; I1321-F1344 HydrophobicContact CG2-CD1 4.31Å; I1321-F1344 HydrophobicContact CG2-CD2 4.28Å; I1321-F1344 HydrophobicContact CG2-CE1 3.94Å; I1321-F1344 HydrophobicContact CG2-CE2 3.91Å; I1321-F1344 HydrophobicContact CG2-CG 4.47Å; I1321-F1344 HydrophobicContact CG2-CZ 3.72Å; I1321-V1351 HydrophobicContact CD1-CG1 3.6Å; I1321-L1370 HydrophobicContact CB-CB 4.1Å; I1321-L1370 HydrophobicContact CD1-CB 4.33Å; I1321-L1370 PolarHBondContact N-O 3.36Å; I1321-L1370 PolarHBondContact O-N 2.96Å; I1321-L1372 HydrophobicContact CD1-CD1 3.82Å; I1321-L1372 HydrophobicContact CD1-CG 4.07Å; I1321-F1547 HydrophobicContact CB-CD1 4.2Å; I1321-F1547 HydrophobicContact CB-CE1 4.31Å; I1321-F1547 HydrophobicContact CG1-CD1 3.8Å; I1321-F1547 HydrophobicContact CG1-CE1 4Å; I1321-F1547 HydrophobicContact CG2-CD1 4.07Å; I1321-F1547 HydrophobicContact CG2-CE1 3.73Å |
| 1322 | L | 92.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 91.5 | 164 | -179.8 | 61.4 | 0 | 0 | 0 | 108.1 | W1324 P1368 L1369 F1520 G1545 T1546 F1565 L1568 | L1322-W1324 HydrophobicContact CD1-CE3 4.14Å; L1322-W1324 PolarHBondContact O-N 3Å; L1322-P1368 HydrophobicContact CD1-CB 4.16Å; L1322-P1368 HydrophobicContact CD1-CG 4.38Å; L1322-L1369 HydrophobicContact CD1-CD2 3.66Å; L1322-F1520 HydrophobicContact CD2-CE1 4.32Å; L1322-F1520 HydrophobicContact CD2-CE2 4.34Å; L1322-F1520 HydrophobicContact CD2-CZ 4.01Å; L1322-G1545 CarbonylContact O-C 3.24Å; L1322-G1545 WeakPolarHBondContact O-CA 3.33Å; L1322-T1546 HydrophobicContact CB-CG2 4Å; L1322-T1546 HydrophobicContact CD2-CG2 4.09Å; L1322-T1546 PolarHBondContact N-O 3.25Å; L1322-T1546 PolarHBondContact O-N 3.11Å; L1322-T1546 VanDerWaalsContact O-N 3.11Å; L1322-F1565 HydrophobicContact CB-CD2 4.15Å; L1322-F1565 HydrophobicContact CB-CE1 4.39Å; L1322-F1565 HydrophobicContact CB-CE2 3.87Å; L1322-F1565 HydrophobicContact CB-CZ 3.99Å; L1322-L1568 HydrophobicContact CD1-CD1 3.95Å; L1322-L1568 HydrophobicContact CD1-CD2 4.07Å; L1322-L1568 HydrophobicContact CD2-CD2 4.34Å |
| 1323 | C | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 82.4 | 175.2 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | I1321 F1344 F1365 P1368 L1370 | I1321-C1323 HydrophobicContact CG2-CB 4.16Å; I1321-C1323 PolarHBondContact O-N 3.1Å; C1323-F1344 HydrophobicContact CB-CE2 3.85Å; C1323-F1344 HydrophobicContact CB-CZ 3.9Å; C1323-F1365 VanDerWaalsContact O-CD2 3.29Å; C1323-F1365 WeakPolarHBondContact O-CD2 3.5Å; C1323-F1365 VanDerWaalsContact SG-CD2 3.5Å; C1323-F1365 VanDerWaalsContact SG-CE2 3.5Å; C1323-P1368 WeakPolarHBondContact CA-O 3.46Å; C1323-P1368 WeakPolarHBondContact CB-O 3.27Å; C1323-P1368 PolarHBondContact N-O 2.88Å; C1323-P1368 VanDerWaalsContact O-CA 3.26Å; C1323-P1368 WeakPolarHBondContact O-CA 3.43Å; C1323-P1368 WeakPolarHBondContact O-CB 3.48Å; C1323-L1370 HydrophobicContact CB-CD1 3.99Å; C1323-L1370 HydrophobicContact CB-CG 4.49Å |
| 1324 | W | 93.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.011 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -54.6 | -168.3 | -171.7 | -116.8 | 0 | 0 | 0 | 112.8 | L1322 N1364 F1365 P1368 F1520 K1544 V1570 S1571 E1666 L1670 | L1322-W1324 HydrophobicContact CD1-CE3 4.14Å; L1322-W1324 PolarHBondContact O-N 3Å; W1324-N1364 CarbonylContact O-C 3.51Å; W1324-N1364 VanDerWaalsContact O-CA 3.23Å; W1324-N1364 WeakPolarHBondContact O-CA 3.5Å; W1324-N1364 WeakPolarHBondContact O-CB 3.4Å; W1324-F1365 PolarHBondContact O-N 2.95Å; W1324-P1368 HydrophobicContact CE3-CB 4.47Å; W1324-F1520 HydrophobicContact CD2-CE1 4.01Å; W1324-F1520 HydrophobicContact CD2-CZ 4.42Å; W1324-F1520 AromaticContact CE2-CE1 3.97Å; W1324-F1520 HydrophobicContact CE3-CE1 4.17Å; W1324-F1520 HydrophobicContact CE3-CZ 4.12Å; W1324-F1520 HydrophobicContact CH2-CE1 4.25Å; W1324-F1520 AromaticContact CH2-CZ 3.99Å; W1324-F1520 HydrophobicContact CH2-CZ 3.99Å; W1324-F1520 HydrophobicContact CZ2-CE1 4.11Å; W1324-F1520 HydrophobicContact CZ2-CZ 4.3Å; W1324-F1520 HydrophobicContact CZ3-CE1 4.29Å; W1324-F1520 AromaticContact CZ3-CZ 3.9Å; W1324-F1520 HydrophobicContact CZ3-CZ 3.9Å; W1324-K1544 HydrophobicContact CB-CB 4.41Å; W1324-K1544 VanDerWaalsContact CB-O 3.27Å; W1324-K1544 WeakPolarHBondContact CB-O 3.47Å; W1324-K1544 PolarHBondContact N-O 3.22Å; W1324-K1544 VanDerWaalsContact N-O 3.11Å; W1324-V1570 HydrophobicContact CH2-CB 4.4Å; W1324-V1570 HydrophobicContact CH2-CG1 3.83Å; W1324-V1570 HydrophobicContact CZ2-CG1 4.15Å; W1324-S1571 WeakPolarHBondContact CH2-O 3.45Å; W1324-E1666 PolarHBondContact NE1-OE1 2.99Å; W1324-L1670 HydrophobicContact CZ2-CD1 4.24Å |
| 1325 | G | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | -174.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1363 F1543 K1544 | G1325-P1363 VanDerWaalsContact CA-O 3.24Å; G1325-P1363 WeakPolarHBondContact CA-O 3.16Å; G1325-F1543 WeakPolarHBondContact O-CD2 3.39Å; G1325-K1544 PolarHBondContact N-O 2.88Å; G1325-K1544 VanDerWaalsContact N-O 3.17Å; G1325-K1544 PolarHBondContact O-N 3.28Å |
| 1326 | V | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149.6 | 176 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | M1329 P1340 V1342 I1356 V1359 P1363 V1390 E1542 | V1326-M1329 HydrophobicContact CB-CG 4.01Å; V1326-M1329 HydrophobicContact CB-SD 4.05Å; V1326-M1329 HydrophobicContact CG1-SD 4.5Å; V1326-M1329 HydrophobicContact CG2-CG 3.99Å; V1326-P1340 HydrophobicContact CG2-CG 3.74Å; V1326-V1342 HydrophobicContact CG1-CG2 4.35Å; V1326-I1356 HydrophobicContact CG2-CD1 4.11Å; V1326-V1359 HydrophobicContact CG2-CG1 4.33Å; V1326-V1359 HydrophobicContact CG2-CG2 4.05Å; V1326-P1363 PolarHBondContact N-O 2.95Å; V1326-P1363 VanDerWaalsContact N-O 3.1Å; V1326-V1390 HydrophobicContact CG1-CG1 4.28Å; V1326-E1542 CarbonylContact C-O 3.54Å; V1326-E1542 VanDerWaalsContact CA-O 3.32Å; V1326-E1542 WeakPolarHBondContact CA-O 3.44Å |
| 1327 | R | 92.3 | Very high | 89.9 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 157.9 | 178.9 | -56.2 | -66.8 | 177.1 | -91.2 | -2.7 | 110.5 | M1329 P1363 N1364 E1542 K1544 P1637 K1640 E1666 | R1327-M1329 PolarHBondContact O-N 3.39Å; R1327-P1363 PolarHBondContact NH1-O 2.98Å; R1327-N1364 PolarHBondContact NH1-OD1 2.72Å; R1327-N1364 PolarHBondContact NH2-OD1 3.18Å; R1327-E1542 HydrophobicContact CB-CB 3.91Å; R1327-E1542 PolarHBondContact N-O 2.92Å; R1327-E1542 PolarHBondContact O-N 2.81Å; R1327-K1544 HydrophobicContact CG-CD 4.15Å; R1327-K1544 HydrophobicContact CG-CG 4.15Å; R1327-P1637 VanDerWaalsContact NH2-CG 3.32Å; R1327-K1640 HydrophobicContact CG-CD 4.42Å; R1327-E1666 IonicContact CZ-OE1 3.75Å; R1327-E1666 IonicContact CZ-OE2 3.03Å; R1327-E1666 IonicContact NE-OE1 2.7Å; R1327-E1666 IonicContact NE-OE2 2.93Å; R1327-E1666 PolarHBondContact NE-OE2 3.27Å; R1327-E1666 IonicContact NH2-OE1 3.18Å; R1327-E1666 PolarHBondContact NH2-OE1 2.81Å; R1327-E1666 IonicContact NH2-OE2 2.76Å; R1327-E1666 PolarHBondContact NH2-OE2 3.26Å |
| 1328 | A | 87.8 | Confident | 90 | Very high | 48 Ų | 48 | 41 Ų | 41 | 40% | 0.397 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 47.3 | 31.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116 | R1330 Y1539 G1541 | A1328-R1330 PolarHBondContact O-N 3.03Å; A1328-R1330 VanDerWaalsContact O-N 3.15Å; A1328-Y1539 VanDerWaalsContact CB-OH 3.31Å; A1328-Y1539 WeakPolarHBondContact CB-OH 3.21Å; A1328-G1541 WeakPolarHBondContact O-CA 3.38Å |
| 1329 | M | 91.1 | Very high | 90.1 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 16% | 0.163 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 117.5 | -175.6 | -64.5 | -59.1 | -63.8 | 0 | 0 | 111 | V1326 R1327 V1337 V1390 V1402 L1526 | V1326-M1329 HydrophobicContact CB-CG 4.01Å; V1326-M1329 HydrophobicContact CB-SD 4.05Å; V1326-M1329 HydrophobicContact CG1-SD 4.5Å; V1326-M1329 HydrophobicContact CG2-CG 3.99Å; R1327-M1329 PolarHBondContact O-N 3.39Å; M1329-V1337 HydrophobicContact CB-CB 4.03Å; M1329-V1337 HydrophobicContact CB-CG1 4.39Å; M1329-V1337 HydrophobicContact CB-CG2 4.41Å; M1329-V1337 HydrophobicContact CE-CG1 4.25Å; M1329-V1337 HydrophobicContact CE-CG2 4.34Å; M1329-V1337 HydrophobicContact CG-CG1 4.43Å; M1329-V1390 HydrophobicContact CE-CB 4.45Å; M1329-V1390 HydrophobicContact CE-CG1 3.95Å; M1329-V1402 HydrophobicContact CE-CG2 3.64Å; M1329-L1526 HydrophobicContact CE-CD1 4.11Å; M1329-L1526 HydrophobicContact SD-CD1 3.8Å |
| 1330 | R | 87.7 | Confident | 90.2 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 36% | 0.362 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -73.1 | 161 | 176.8 | -67.8 | -163.7 | 179.3 | 170.4 | -1.2 | 111.4 | A1328 D1537 Y1539 A1540 | A1328-R1330 PolarHBondContact O-N 3.03Å; A1328-R1330 VanDerWaalsContact O-N 3.15Å; R1330-D1537 IonicContact CZ-OD2 3.74Å; R1330-D1537 VanDerWaalsContact NH1-CG 3.31Å; R1330-D1537 IonicContact NH1-OD1 3.15Å; R1330-D1537 IonicContact NH1-OD2 3.81Å; R1330-D1537 PolarHBondContact NH1-OD2 3.09Å; R1330-D1537 IonicContact NH2-OD2 3.52Å; R1330-D1537 PolarHBondContact NH2-OD2 2.89Å; R1330-Y1539 WeakPolarHBondContact CD-O 3.46Å; R1330-Y1539 HydrophobicContact CG-CD1 4.1Å; R1330-Y1539 HydrophobicContact CG-CE1 4.31Å; R1330-Y1539 VanDerWaalsContact NE-CD1 3.32Å; R1330-A1540 PolarHBondContact N-O 3.12Å |
| 1331 | K | 87.3 | Confident | 90.3 | Very high | 138 Ų | 138 | 42.1 Ų | 42.1 | 60% | 0.6 | 22% | 0.218 | S | C | * | . | P | Polyproline II helix | trans | -62.9 | 137.4 | 172.6 | -65.4 | 179.4 | -177.6 | 175.7 | 0 | 109.8 | A1335 R1528 | K1331-A1335 CarbonylContact C-O 3.57Å; K1331-A1335 VanDerWaalsContact CA-O 3.28Å; K1331-A1335 WeakPolarHBondContact CA-O 3.29Å; K1331-R1528 PolarHBondContact O-NH2 2.79Å |
| 1332 | Y | 83 | Confident | 90.4 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -118.8 | 122.4 | 174.8 | 178.9 | -93.3 | 0 | 0 | 0 | 109.6 | L1334 A1335 R1394 P1400 V1402 | Y1332-L1334 VanDerWaalsContact C-N 3.33Å; Y1332-L1334 PolarHBondContact O-N 3.21Å; Y1332-A1335 PolarHBondContact N-O 3.37Å; Y1332-A1335 PolarHBondContact O-N 3.09Å; Y1332-R1394 PolarHBondContact O-NH1 2.97Å; Y1332-R1394 PolarHBondContact O-NH2 2.83Å; Y1332-P1400 HydrophobicContact CD1-CB 4.11Å; Y1332-P1400 HydrophobicContact CD1-CG 4.4Å; Y1332-P1400 HydrophobicContact CE1-CB 3.6Å; Y1332-P1400 HydrophobicContact CE1-CG 4.32Å; Y1332-V1402 HydrophobicContact CD1-CG1 3.93Å; Y1332-V1402 HydrophobicContact CD2-CG1 4.38Å; Y1332-V1402 HydrophobicContact CG-CB 4.29Å; Y1332-V1402 HydrophobicContact CG-CG1 3.78Å |
| 1333 | K | 81.5 | Confident | 90.4 | Very high | 152 Ų | 152 | 43.4 Ų | 43.4 | 66% | 0.661 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 52 | -170.6 | -63.1 | -178.2 | 178.1 | -179.4 | 0 | 111.7 | A1335 | K1333-A1335 PolarHBondContact O-N 3.41Š|
| 1334 | L | 80.5 | Confident | 90.4 | Very high | 169 Ų | 169 | 43.4 Ų | 43.4 | 89% | 0.885 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | -4.7 | -178.4 | -57.6 | 170.1 | 0 | 0 | 0 | 116.4 | Y1332 | Y1332-L1334 VanDerWaalsContact C-N 3.33Å; Y1332-L1334 PolarHBondContact O-N 3.21Å |
| 1335 | A | 85.6 | Confident | 90.3 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 31% | 0.314 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -98.8 | 141.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | K1331 Y1332 K1333 | K1331-A1335 CarbonylContact C-O 3.57Å; K1331-A1335 VanDerWaalsContact CA-O 3.28Å; K1331-A1335 WeakPolarHBondContact CA-O 3.29Å; Y1332-A1335 PolarHBondContact N-O 3.37Å; Y1332-A1335 PolarHBondContact O-N 3.09Å; K1333-A1335 PolarHBondContact O-N 3.41Å |
| 1336 | S | 88.2 | Confident | 90.1 | Very high | 62 Ų | 62 | 46.5 Ų | 46.5 | 43% | 0.434 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -72.8 | 137 | 174.1 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | N1338 | S1336-N1338 PolarHBondContact O-N 2.85Š|
| 1337 | V | 90.5 | Very high | 89.3 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 122.9 | 170.5 | 179.3 | 0 | 0 | 0 | 0 | 109 | M1329 P1340 D1392 V1402 | M1329-V1337 HydrophobicContact CB-CB 4.03Å; M1329-V1337 HydrophobicContact CB-CG1 4.39Å; M1329-V1337 HydrophobicContact CB-CG2 4.41Å; M1329-V1337 HydrophobicContact CE-CG1 4.25Å; M1329-V1337 HydrophobicContact CE-CG2 4.34Å; M1329-V1337 HydrophobicContact CG-CG1 4.43Å; V1337-P1340 HydrophobicContact CG1-CB 4.01Å; V1337-P1340 HydrophobicContact CG1-CG 4.2Å; V1337-D1392 HydrophobicContact CG1-CB 4.02Å; V1337-D1392 HydrophobicContact CG2-CB 4.48Å; V1337-V1402 HydrophobicContact CG1-CG2 4.29Å; V1337-V1402 HydrophobicContact CG2-CB 3.98Å; V1337-V1402 HydrophobicContact CG2-CG1 3.96Å; V1337-V1402 HydrophobicContact CG2-CG2 3.97Å |
| 1338 | N | 92.4 | Very high | 88.6 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | trans | -132.4 | -25.3 | -176.3 | -179.7 | 73.3 | 0 | 0 | 0 | 113.7 | S1336 S1358 V1359 D1392 | S1336-N1338 PolarHBondContact O-N 2.85Å; N1338-S1358 WeakPolarHBondContact O-CA 3.26Å; N1338-S1358 PolarHBondContact OD1-OG 3.43Å; N1338-V1359 WeakPolarHBondContact O-CG2 3.31Å; N1338-V1359 PolarHBondContact O-N 2.89Å; N1338-D1392 PolarHBondContact N-OD1 2.99Å; N1338-D1392 VanDerWaalsContact N-OD1 3.08Å | ||
| 1339 | S | 94.7 | Very high | 88.6 | Confident | 25 Ų | 25 | 53 Ų | 53 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -129.1 | 63 | -178.8 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | I1356 K1357 D1392 H1393 | S1339-I1356 VanDerWaalsContact CA-O 3.23Å; S1339-I1356 WeakPolarHBondContact CA-O 3.45Å; S1339-K1357 PolarHBondContact OG-O 3.06Å; S1339-D1392 PolarHBondContact N-OD1 3.17Å; S1339-H1393 WeakPolarHBondContact CB-O 3.12Å; S1339-H1393 WeakPolarHBondContact O-CB 3.41Å; S1339-H1393 PolarHBondContact O-CD2 3.31Å; S1339-H1393 PolarHBondContact O-N 3.05Å |
| 1340 | P | 95.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 151.4 | -175.3 | 31.3 | -34 | 0 | 0 | 0 | 113.9 | V1326 V1337 I1356 V1359 V1390 R1391 | V1326-P1340 HydrophobicContact CG2-CG 3.74Å; V1337-P1340 HydrophobicContact CG1-CB 4.01Å; V1337-P1340 HydrophobicContact CG1-CG 4.2Å; P1340-I1356 HydrophobicContact CG-CB 4.14Å; P1340-I1356 HydrophobicContact CG-CD1 4.07Å; P1340-I1356 PolarHBondContact O-N 3.26Å; P1340-V1359 HydrophobicContact CG-CG2 3.43Å; P1340-V1359 VanDerWaalsContact CG-CG2 3.43Å; P1340-V1390 HydrophobicContact CB-CG1 3.86Å; P1340-R1391 CarbonylContact C-O 3.58Å; P1340-R1391 WeakPolarHBondContact CA-O 3.17Å |
| 1341 | S | 95.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156.2 | 159.9 | 64.1 | 0 | 0 | 0 | 0 | 109.5 | V1390 R1391 H1393 | S1341-V1390 WeakPolarHBondContact O-CA 3.47Å; S1341-R1391 PolarHBondContact N-O 2.99Å; S1341-R1391 PolarHBondContact O-N 2.98Å; S1341-H1393 PolarHBondContact OG-NE2 3.38Å |
| 1342 | V | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.4 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | V1326 F1344 E1352 S1353 F1365 I1388 C1389 V1390 F1543 | V1326-V1342 HydrophobicContact CG1-CG2 4.35Å; V1342-F1344 HydrophobicContact CB-CE2 4.07Å; V1342-F1344 HydrophobicContact CB-CZ 4.27Å; V1342-F1344 HydrophobicContact CG1-CD2 4.18Å; V1342-F1344 HydrophobicContact CG1-CE1 4.02Å; V1342-F1344 HydrophobicContact CG1-CE2 3.57Å; V1342-F1344 HydrophobicContact CG1-CZ 3.47Å; V1342-F1344 VanDerWaalsContact CG1-CZ 3.47Å; V1342-E1352 WeakPolarHBondContact O-CA 3.44Å; V1342-S1353 PolarHBondContact N-OG 3.3Å; V1342-S1353 PolarHBondContact O-N 2.97Å; V1342-S1353 PolarHBondContact O-OG 3.26Å; V1342-F1365 HydrophobicContact CB-CZ 4.32Å; V1342-F1365 HydrophobicContact CG2-CE2 3.78Å; V1342-F1365 HydrophobicContact CG2-CZ 3.53Å; V1342-I1388 HydrophobicContact CG1-CG2 3.67Å; V1342-C1389 CarbonylContact C-O 3.51Å; V1342-C1389 WeakPolarHBondContact CA-O 3.34Å; V1342-V1390 HydrophobicContact CG2-CG2 4.11Å; V1342-F1543 HydrophobicContact CG1-CD2 4.35Å; V1342-F1543 HydrophobicContact CG1-CE2 4.28Å; V1342-F1543 HydrophobicContact CG2-CD2 3.9Å; V1342-F1543 HydrophobicContact CG2-CE2 4.11Å |
| 1343 | E | 94.2 | Very high | 89.7 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.4 | 177.2 | -177.3 | -178.6 | 176.9 | 0 | 0 | 107.8 | V1350 E1352 C1389 R1391 | E1343-V1350 HydrophobicContact CG-CG1 3.39Å; E1343-V1350 WeakPolarHBondContact OE1-CG1 3.2Å; E1343-E1352 HydrophobicContact CB-CG 4.36Å; E1343-E1352 HydrophobicContact CG-CG 4.2Å; E1343-C1389 HydrophobicContact CB-CB 4.18Å; E1343-C1389 PolarHBondContact N-O 3.03Å; E1343-C1389 PolarHBondContact O-N 2.84Å; E1343-R1391 IonicContact OE2-CZ 2.88Å; E1343-R1391 IonicContact OE2-NE 2.7Å; E1343-R1391 PolarHBondContact OE2-NE 3.38Å; E1343-R1391 IonicContact OE2-NH2 3.25Å; E1343-R1391 PolarHBondContact OE2-NH2 2.84Å; E1343-R1391 VanDerWaalsContact OE2-NH2 3.14Å |
| 1344 | F | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123 | 174.6 | -57.9 | -92.2 | 0 | 0 | 0 | 108.9 | I1321 C1323 V1342 V1350 V1351 L1370 M1386 N1387 I1388 F1543 F1547 | I1321-F1344 HydrophobicContact CD1-CB 4.08Å; I1321-F1344 HydrophobicContact CD1-CD1 4.49Å; I1321-F1344 HydrophobicContact CD1-CD2 4.22Å; I1321-F1344 HydrophobicContact CD1-CG 4.02Å; I1321-F1344 HydrophobicContact CG2-CD1 4.31Å; I1321-F1344 HydrophobicContact CG2-CD2 4.28Å; I1321-F1344 HydrophobicContact CG2-CE1 3.94Å; I1321-F1344 HydrophobicContact CG2-CE2 3.91Å; I1321-F1344 HydrophobicContact CG2-CG 4.47Å; I1321-F1344 HydrophobicContact CG2-CZ 3.72Å; C1323-F1344 HydrophobicContact CB-CE2 3.85Å; C1323-F1344 HydrophobicContact CB-CZ 3.9Å; V1342-F1344 HydrophobicContact CB-CE2 4.07Å; V1342-F1344 HydrophobicContact CB-CZ 4.27Å; V1342-F1344 HydrophobicContact CG1-CD2 4.18Å; V1342-F1344 HydrophobicContact CG1-CE1 4.02Å; V1342-F1344 HydrophobicContact CG1-CE2 3.57Å; V1342-F1344 HydrophobicContact CG1-CZ 3.47Å; V1342-F1344 VanDerWaalsContact CG1-CZ 3.47Å; F1344-V1350 CarbonylContact O-C 3.45Å; F1344-V1350 VanDerWaalsContact O-CA 3.3Å; F1344-V1350 WeakPolarHBondContact O-CA 3.42Å; F1344-V1351 HydrophobicContact CB-CG1 3.96Å; F1344-V1351 HydrophobicContact CD2-CG1 4.21Å; F1344-V1351 PolarHBondContact N-O 3.47Å; F1344-V1351 PolarHBondContact O-N 2.8Å; F1344-L1370 HydrophobicContact CD2-CD1 3.94Å; F1344-L1370 HydrophobicContact CE2-CD1 3.78Å; F1344-M1386 HydrophobicContact CB-SD 4.48Å; F1344-M1386 HydrophobicContact CD1-SD 4.27Å; F1344-N1387 WeakPolarHBondContact CA-O 3.49Å; F1344-I1388 HydrophobicContact CD1-CG1 4.01Å; F1344-I1388 HydrophobicContact CD1-CG2 4.28Å; F1344-I1388 HydrophobicContact CE1-CD1 4.4Å; F1344-I1388 HydrophobicContact CE1-CG1 4.16Å; F1344-I1388 HydrophobicContact CE1-CG2 3.9Å; F1344-F1543 AromaticContact CE1-CE1 3.74Å; F1344-F1543 HydrophobicContact CE1-CE1 3.74Å; F1344-F1543 AromaticContact CE1-CZ 3.68Å; F1344-F1543 HydrophobicContact CE1-CZ 3.68Å; F1344-F1543 AromaticContact CZ-CE1 3.95Å; F1344-F1543 HydrophobicContact CZ-CE1 3.95Å; F1344-F1543 AromaticContact CZ-CE2 3.92Å; F1344-F1543 HydrophobicContact CZ-CE2 3.92Å; F1344-F1543 AromaticContact CZ-CZ 3.37Å; F1344-F1543 HydrophobicContact CZ-CZ 3.37Å; F1344-F1547 AromaticContact CD1-CE1 3.97Å; F1344-F1547 HydrophobicContact CD1-CE1 3.97Å; F1344-F1547 HydrophobicContact CD1-CZ 4.26Å; F1344-F1547 AromaticContact CE1-CE1 3.86Å; F1344-F1547 HydrophobicContact CE1-CE1 3.86Å; F1344-F1547 AromaticContact CE1-CZ 3.98Å; F1344-F1547 HydrophobicContact CE1-CZ 3.98Å |
| 1345 | E | 90.5 | Very high | 90.9 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.1 | 179 | 179.8 | -168.4 | -165.7 | 0 | 0 | 110.1 | K1349 V1350 M1386 N1387 | E1345-K1349 WeakPolarHBondContact CA-O 3.47Å; E1345-V1350 HydrophobicContact CB-CG2 4.06Å; E1345-V1350 HydrophobicContact CG-CG2 3.91Å; E1345-M1386 CarbonylContact O-C 3.53Å; E1345-M1386 WeakPolarHBondContact O-CA 3.24Å; E1345-N1387 HydrophobicContact CB-CB 4.24Å; E1345-N1387 PolarHBondContact N-O 3.5Å; E1345-N1387 PolarHBondContact O-N 2.98Å; E1345-N1387 PolarHBondContact OE2-ND2 2.65Å |
| 1346 | I | 88.5 | Confident | 91.2 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 135.5 | 171.6 | -171.9 | 176.9 | 0 | 0 | 0 | 109.5 | I1319 G1348 K1349 L1372 L1376 P1384 M1386 F1410 | I1319-I1346 HydrophobicContact CD1-CD1 4.04Å; I1319-I1346 HydrophobicContact CD1-CG2 3.63Å; I1346-G1348 PolarHBondContact O-N 2.83Å; I1346-K1349 PolarHBondContact N-O 3.32Å; I1346-K1349 VanDerWaalsContact N-O 3.08Å; I1346-K1349 PolarHBondContact O-N 2.95Å; I1346-L1372 HydrophobicContact CG2-CD1 3.78Å; I1346-L1376 HydrophobicContact CD1-CD1 4.19Å; I1346-L1376 HydrophobicContact CD1-CD2 3.97Å; I1346-L1376 HydrophobicContact CG1-CD2 4.01Å; I1346-P1384 HydrophobicContact CD1-CG 4.5Å; I1346-P1384 HydrophobicContact CG1-CG 3.95Å; I1346-M1386 HydrophobicContact CB-CB 4.17Å; I1346-M1386 HydrophobicContact CB-CG 4.21Å; I1346-M1386 HydrophobicContact CD1-CB 4.23Å; I1346-M1386 HydrophobicContact CG1-CB 4.44Å; I1346-F1410 HydrophobicContact CD1-CE1 3.96Å; I1346-F1410 HydrophobicContact CD1-CZ 3.69Å |
| 1347 | G | 79.1 | Confident | 91.3 | Very high | 35 Ų | 35 | 45 Ų | 45 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 32.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1349 | G1347-K1349 PolarHBondContact O-N 3.11Š|
| 1348 | G | 76.7 | Confident | 91.2 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 63% | 0.629 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 2.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1346 | I1346-G1348 PolarHBondContact O-N 2.83Š|
| 1349 | K | 87.8 | Confident | 91.1 | Very high | 99 Ų | 99 | 44.4 Ų | 44.4 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133 | 170 | -72.2 | -164 | 178.7 | -173.6 | 0 | 110.1 | E1345 I1346 G1347 L1372 D1373 V1374 | E1345-K1349 WeakPolarHBondContact CA-O 3.47Å; I1346-K1349 PolarHBondContact N-O 3.32Å; I1346-K1349 VanDerWaalsContact N-O 3.08Å; I1346-K1349 PolarHBondContact O-N 2.95Å; G1347-K1349 PolarHBondContact O-N 3.11Å; K1349-L1372 HydrophobicContact CB-CD2 4.21Å; K1349-D1373 VanDerWaalsContact CD-O 3.23Å; K1349-D1373 WeakPolarHBondContact CD-O 3.41Å; K1349-D1373 WeakPolarHBondContact CE-O 3.22Å; K1349-D1373 PolarHBondContact NZ-O 3.03Å; K1349-V1374 HydrophobicContact CD-CB 4.14Å; K1349-V1374 HydrophobicContact CD-CG2 4.39Å |
| 1350 | V | 90.1 | Very high | 90.8 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 42% | 0.418 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.1 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | E1343 F1344 E1345 E1352 | E1343-V1350 HydrophobicContact CG-CG1 3.39Å; E1343-V1350 WeakPolarHBondContact OE1-CG1 3.2Å; F1344-V1350 CarbonylContact O-C 3.45Å; F1344-V1350 VanDerWaalsContact O-CA 3.3Å; F1344-V1350 WeakPolarHBondContact O-CA 3.42Å; E1345-V1350 HydrophobicContact CB-CG2 4.06Å; E1345-V1350 HydrophobicContact CG-CG2 3.91Å; V1350-E1352 HydrophobicContact CG1-CG 4.47Å |
| 1351 | V | 93.3 | Very high | 90.4 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.2 | 165.4 | 66.4 | 0 | 0 | 0 | 0 | 109.7 | I1321 F1344 L1370 L1372 | I1321-V1351 HydrophobicContact CD1-CG1 3.6Å; F1344-V1351 HydrophobicContact CB-CG1 3.96Å; F1344-V1351 HydrophobicContact CD2-CG1 4.21Å; F1344-V1351 PolarHBondContact N-O 3.47Å; F1344-V1351 PolarHBondContact O-N 2.8Å; V1351-L1370 HydrophobicContact CG1-CB 4.38Å; V1351-L1370 HydrophobicContact CG1-CD1 4.31Å; V1351-L1370 HydrophobicContact CG2-CB 4.09Å; V1351-L1370 HydrophobicContact CG2-CD1 4.28Å; V1351-L1370 HydrophobicContact CG2-CD2 4.23Å; V1351-L1370 HydrophobicContact CG2-CG 4.44Å; V1351-L1372 HydrophobicContact CB-CD2 3.69Å; V1351-L1372 HydrophobicContact CB-CG 4.23Å; V1351-L1372 HydrophobicContact CG1-CD1 3.96Å; V1351-L1372 HydrophobicContact CG1-CD2 3.69Å; V1351-L1372 HydrophobicContact CG1-CG 3.7Å |
| 1352 | E | 93.7 | Very high | 90.3 | Very high | 113 Ų | 113 | 59.8 Ų | 59.8 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 141.7 | 179 | -67.3 | -174.9 | -176.6 | 0 | 0 | 110.8 | V1342 E1343 V1350 | V1342-E1352 WeakPolarHBondContact O-CA 3.44Å; E1343-E1352 HydrophobicContact CB-CG 4.36Å; E1343-E1352 HydrophobicContact CG-CG 4.2Å; V1350-E1352 HydrophobicContact CG1-CG 4.47Å |
| 1353 | S | 95.2 | Very high | 90.2 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 7% | 0.07 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 165 | 170 | 76.2 | 0 | 0 | 0 | 0 | 112 | V1342 F1365 | V1342-S1353 PolarHBondContact N-OG 3.3Å; V1342-S1353 PolarHBondContact O-N 2.97Å; V1342-S1353 PolarHBondContact O-OG 3.26Å; S1353-F1365 WeakPolarHBondContact OG-CD1 3.37Å; S1353-F1365 WeakPolarHBondContact OG-CE1 3.39Å; S1353-F1365 WeakPolarHBondContact OG-CZ 3.44Å |
| 1354 | T | 93.8 | Very high | 90.1 | Very high | 59 Ų | 59 | 59 Ų | 59 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 162 | 167.3 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | F1365 | T1354-F1365 WeakPolarHBondContact O-CD1 3.3Å; T1354-F1365 WeakPolarHBondContact O-CE1 3.17Å |
| 1355 | I | 93.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 59 Ų | 59 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 129.7 | 178.4 | -57.2 | 166.3 | 0 | 0 | 0 | 109.6 | K1357 H1393 | I1355-K1357 PolarHBondContact O-N 2.69Å; I1355-H1393 VanDerWaalsContact CD1-CE1 3.44Å; I1355-H1393 WeakPolarHBondContact CD1-CE1 3.44Å; I1355-H1393 WeakPolarHBondContact CD1-ND1 3Å |
| 1356 | I | 92.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 118.1 | 166.5 | -73.9 | 164.1 | 0 | 0 | 0 | 108.3 | V1326 S1339 P1340 S1358 V1359 N1362 P1363 F1365 | V1326-I1356 HydrophobicContact CG2-CD1 4.11Å; S1339-I1356 VanDerWaalsContact CA-O 3.23Å; S1339-I1356 WeakPolarHBondContact CA-O 3.45Å; P1340-I1356 HydrophobicContact CG-CB 4.14Å; P1340-I1356 HydrophobicContact CG-CD1 4.07Å; P1340-I1356 PolarHBondContact O-N 3.26Å; I1356-S1358 VanDerWaalsContact C-N 3.35Å; I1356-S1358 PolarHBondContact O-N 3.45Å; I1356-V1359 HydrophobicContact CG2-CB 4.5Å; I1356-V1359 HydrophobicContact CG2-CG2 3.86Å; I1356-N1362 VanDerWaalsContact CG2-O 3.24Å; I1356-N1362 WeakPolarHBondContact CG2-O 3.48Å; I1356-P1363 VanDerWaalsContact CD1-O 3.24Å; I1356-P1363 WeakPolarHBondContact CD1-O 3.2Å; I1356-F1365 HydrophobicContact CD1-CD1 3.92Å; I1356-F1365 HydrophobicContact CD1-CD2 4.12Å; I1356-F1365 HydrophobicContact CD1-CE1 3.58Å; I1356-F1365 HydrophobicContact CD1-CE2 3.82Å; I1356-F1365 HydrophobicContact CD1-CG 4.17Å; I1356-F1365 HydrophobicContact CD1-CZ 3.52Å; I1356-F1365 HydrophobicContact CG1-CD1 3.59Å; I1356-F1365 HydrophobicContact CG1-CE1 3.55Å; I1356-F1365 HydrophobicContact CG1-CG 4.12Å; I1356-F1365 HydrophobicContact CG1-CZ 4.06Å |
| 1357 | K | 89.4 | Confident | 89.9 | Confident | 194 Ų | 194 | 63 Ų | 63 | 84% | 0.843 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -62.3 | -41 | -177.5 | -68.4 | -178.8 | -179.6 | 174.7 | 0 | 112.5 | S1339 I1355 | S1339-K1357 PolarHBondContact OG-O 3.06Å; I1355-K1357 PolarHBondContact O-N 2.69Å |
| 1358 | S | 90.1 | Very high | 90.4 | Very high | 25 Ų | 25 | 62 Ų | 62 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | trans | -157.9 | 112.3 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | N1338 I1356 K1360 K1361 N1362 | N1338-S1358 WeakPolarHBondContact O-CA 3.26Å; N1338-S1358 PolarHBondContact OD1-OG 3.43Å; I1356-S1358 VanDerWaalsContact C-N 3.35Å; I1356-S1358 PolarHBondContact O-N 3.45Å; S1358-K1360 PolarHBondContact O-N 3.07Å; S1358-K1361 PolarHBondContact O-N 3.25Å; S1358-N1362 PolarHBondContact O-N 2.96Å; S1358-N1362 VanDerWaalsContact O-O 3.13Å | ||
| 1359 | V | 89.8 | Confident | 91.1 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 16% | 0.164 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.5 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | V1326 N1338 P1340 I1356 K1361 N1362 P1363 | V1326-V1359 HydrophobicContact CG2-CG1 4.33Å; V1326-V1359 HydrophobicContact CG2-CG2 4.05Å; N1338-V1359 WeakPolarHBondContact O-CG2 3.31Å; N1338-V1359 PolarHBondContact O-N 2.89Å; P1340-V1359 HydrophobicContact CG-CG2 3.43Å; P1340-V1359 VanDerWaalsContact CG-CG2 3.43Å; I1356-V1359 HydrophobicContact CG2-CB 4.5Å; I1356-V1359 HydrophobicContact CG2-CG2 3.86Å; V1359-K1361 VanDerWaalsContact C-N 3.29Å; V1359-K1361 PolarHBondContact O-N 3.27Å; V1359-N1362 CarbonylContact O-C 3.08Å; V1359-P1363 HydrophobicContact CG1-CB 3.97Å |
| 1360 | K | 87.1 | Confident | 91.4 | Very high | 154 Ų | 154 | 59.2 Ų | 59.2 | 67% | 0.67 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -27 | 178.4 | -65 | -174.9 | 178.5 | -176.8 | 0 | 114.1 | S1358 | S1358-K1360 PolarHBondContact O-N 3.07Š|
| 1361 | K | 89.1 | Confident | 91.5 | Very high | 165 Ų | 165 | 58.2 Ų | 58.2 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -42.3 | 179.6 | -71.2 | -170.9 | 175.7 | -174.1 | 0 | 112.4 | S1358 V1359 I1638 | S1358-K1361 PolarHBondContact O-N 3.25Å; V1359-K1361 VanDerWaalsContact C-N 3.29Å; V1359-K1361 PolarHBondContact O-N 3.27Å; K1361-I1638 VanDerWaalsContact O-CD1 3.29Å; K1361-I1638 WeakPolarHBondContact O-CD1 3.11Å |
| 1362 | N | 92.7 | Very high | 91.5 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | trans | -152.2 | 111.2 | 173.5 | -176.8 | -0.9 | 0 | 0 | 0 | 107.8 | I1356 S1358 V1359 N1364 S1572 P1574 | I1356-N1362 VanDerWaalsContact CG2-O 3.24Å; I1356-N1362 WeakPolarHBondContact CG2-O 3.48Å; S1358-N1362 PolarHBondContact O-N 2.96Å; S1358-N1362 VanDerWaalsContact O-O 3.13Å; V1359-N1362 CarbonylContact O-C 3.08Å; N1362-N1364 PolarHBondContact O-N 3.33Å; N1362-N1364 WeakPolarHBondContact OD1-CB 3.47Å; N1362-N1364 PolarHBondContact OD1-N 3.05Å; N1362-S1572 PolarHBondContact ND2-O 3.37Å; N1362-P1574 HydrophobicContact CB-CG 3.86Å | ||
| 1363 | P | 93.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | trans | -82.4 | 5.7 | 179.7 | 36.3 | -38.5 | 0 | 0 | 0 | 113.5 | G1325 V1326 R1327 I1356 V1359 P1637 | G1325-P1363 VanDerWaalsContact CA-O 3.24Å; G1325-P1363 WeakPolarHBondContact CA-O 3.16Å; V1326-P1363 PolarHBondContact N-O 2.95Å; V1326-P1363 VanDerWaalsContact N-O 3.1Å; R1327-P1363 PolarHBondContact NH1-O 2.98Å; I1356-P1363 VanDerWaalsContact CD1-O 3.24Å; I1356-P1363 WeakPolarHBondContact CD1-O 3.2Å; V1359-P1363 HydrophobicContact CG1-CB 3.97Å; P1363-P1637 HydrophobicContact CG-CG 3.77Å | ||
| 1364 | N | 93.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -99.8 | 152.5 | 177.4 | -61.6 | -24.1 | 0 | 0 | 0 | 112.4 | W1324 R1327 N1362 S1572 | W1324-N1364 CarbonylContact O-C 3.51Å; W1324-N1364 VanDerWaalsContact O-CA 3.23Å; W1324-N1364 WeakPolarHBondContact O-CA 3.5Å; W1324-N1364 WeakPolarHBondContact O-CB 3.4Å; R1327-N1364 PolarHBondContact NH1-OD1 2.72Å; R1327-N1364 PolarHBondContact NH2-OD1 3.18Å; N1362-N1364 PolarHBondContact O-N 3.33Å; N1362-N1364 WeakPolarHBondContact OD1-CB 3.47Å; N1362-N1364 PolarHBondContact OD1-N 3.05Å; N1364-S1572 WeakPolarHBondContact CB-O 3.42Å; N1364-S1572 PolarHBondContact ND2-O 2.79Å |
| 1365 | F | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -76.1 | 136.9 | 175.3 | -66.6 | -77.3 | 0 | 0 | 0 | 111.3 | C1323 W1324 V1342 S1353 T1354 I1356 S1367 P1368 | C1323-F1365 VanDerWaalsContact O-CD2 3.29Å; C1323-F1365 WeakPolarHBondContact O-CD2 3.5Å; C1323-F1365 VanDerWaalsContact SG-CD2 3.5Å; C1323-F1365 VanDerWaalsContact SG-CE2 3.5Å; W1324-F1365 PolarHBondContact O-N 2.95Å; V1342-F1365 HydrophobicContact CB-CZ 4.32Å; V1342-F1365 HydrophobicContact CG2-CE2 3.78Å; V1342-F1365 HydrophobicContact CG2-CZ 3.53Å; S1353-F1365 WeakPolarHBondContact OG-CD1 3.37Å; S1353-F1365 WeakPolarHBondContact OG-CE1 3.39Å; S1353-F1365 WeakPolarHBondContact OG-CZ 3.44Å; T1354-F1365 WeakPolarHBondContact O-CD1 3.3Å; T1354-F1365 WeakPolarHBondContact O-CE1 3.17Å; I1356-F1365 HydrophobicContact CD1-CD1 3.92Å; I1356-F1365 HydrophobicContact CD1-CD2 4.12Å; I1356-F1365 HydrophobicContact CD1-CE1 3.58Å; I1356-F1365 HydrophobicContact CD1-CE2 3.82Å; I1356-F1365 HydrophobicContact CD1-CG 4.17Å; I1356-F1365 HydrophobicContact CD1-CZ 3.52Å; I1356-F1365 HydrophobicContact CG1-CD1 3.59Å; I1356-F1365 HydrophobicContact CG1-CE1 3.55Å; I1356-F1365 HydrophobicContact CG1-CG 4.12Å; I1356-F1365 HydrophobicContact CG1-CZ 4.06Å; F1365-S1367 VanDerWaalsContact C-N 3.27Å; F1365-S1367 PolarHBondContact O-N 2.79Å; F1365-P1368 HydrophobicContact CB-CB 4.47Å | ||
| 1366 | A | 86.9 | Confident | 90.7 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 67% | 0.669 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -68.4 | -27.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1367 | S | 88.5 | Confident | 90.4 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 49% | 0.49 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -128.5 | 84.5 | 173.4 | -57 | 0 | 0 | 0 | 0 | 108.3 | F1365 L1369 | F1365-S1367 VanDerWaalsContact C-N 3.27Å; F1365-S1367 PolarHBondContact O-N 2.79Å; S1367-L1369 VanDerWaalsContact C-N 3.33Å |
| 1368 | P | 89.9 | Confident | 90 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | trans | -80.5 | -13.6 | -170.1 | 32.2 | -36.2 | 0 | 0 | 0 | 113.4 | L1322 C1323 W1324 F1365 L1568 | L1322-P1368 HydrophobicContact CD1-CB 4.16Å; L1322-P1368 HydrophobicContact CD1-CG 4.38Å; C1323-P1368 WeakPolarHBondContact CA-O 3.46Å; C1323-P1368 WeakPolarHBondContact CB-O 3.27Å; C1323-P1368 PolarHBondContact N-O 2.88Å; C1323-P1368 VanDerWaalsContact O-CA 3.26Å; C1323-P1368 WeakPolarHBondContact O-CA 3.43Å; C1323-P1368 WeakPolarHBondContact O-CB 3.48Å; W1324-P1368 HydrophobicContact CE3-CB 4.47Å; F1365-P1368 HydrophobicContact CB-CB 4.47Å; P1368-L1568 HydrophobicContact CG-CD1 4.26Å | ||
| 1369 | L | 91.4 | Very high | 89.4 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 38% | 0.382 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117 | -176 | -58.5 | -178.1 | 0 | 0 | 0 | 111.1 | L1322 S1367 F1565 L1568 | L1322-L1369 HydrophobicContact CD1-CD2 3.66Å; S1367-L1369 VanDerWaalsContact C-N 3.33Å; L1369-F1565 HydrophobicContact CD1-CB 4.36Å; L1369-F1565 WeakPolarHBondContact CD1-O 3.36Å; L1369-F1565 HydrophobicContact CD2-CB 3.47Å; L1369-F1565 VanDerWaalsContact CD2-CB 3.47Å; L1369-F1565 HydrophobicContact CD2-CD2 4.35Å; L1369-F1565 HydrophobicContact CD2-CG 4.15Å; L1369-L1568 HydrophobicContact CD1-CD1 4.23Å; L1369-L1568 HydrophobicContact CD1-CG 4.49Å; L1369-L1568 HydrophobicContact CD2-CD1 3.79Å; L1369-L1568 HydrophobicContact CD2-CG 4.24Å; L1369-L1568 HydrophobicContact CG-CD1 4.09Å |
| 1370 | L | 93.4 | Very high | 88.6 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 158.8 | 173.5 | -49.7 | 169.3 | 0 | 0 | 0 | 109.4 | I1321 C1323 F1344 V1351 | I1321-L1370 HydrophobicContact CB-CB 4.1Å; I1321-L1370 HydrophobicContact CD1-CB 4.33Å; I1321-L1370 PolarHBondContact N-O 3.36Å; I1321-L1370 PolarHBondContact O-N 2.96Å; C1323-L1370 HydrophobicContact CB-CD1 3.99Å; C1323-L1370 HydrophobicContact CB-CG 4.49Å; F1344-L1370 HydrophobicContact CD2-CD1 3.94Å; F1344-L1370 HydrophobicContact CE2-CD1 3.78Å; V1351-L1370 HydrophobicContact CG1-CB 4.38Å; V1351-L1370 HydrophobicContact CG1-CD1 4.31Å; V1351-L1370 HydrophobicContact CG2-CB 4.09Å; V1351-L1370 HydrophobicContact CG2-CD1 4.28Å; V1351-L1370 HydrophobicContact CG2-CD2 4.23Å; V1351-L1370 HydrophobicContact CG2-CG 4.44Å |
| 1371 | F | 92.3 | Very high | 87.9 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 129 | 179.7 | -178.9 | -104.7 | 0 | 0 | 0 | 110 | I1319 E1320 D1373 L1552 | I1319-F1371 WeakPolarHBondContact O-CA 3.48Å; E1320-F1371 HydrophobicContact CG-CD2 3.84Å; E1320-F1371 HydrophobicContact CG-CE2 4.18Å; F1371-D1373 HydrophobicContact CE1-CB 3.99Å; F1371-L1552 HydrophobicContact CZ-CD1 4.06Å |
| 1372 | L | 92.1 | Very high | 87.5 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.6 | 169.5 | -69.8 | 168.8 | 0 | 0 | 0 | 109.2 | G1318 I1319 I1321 I1346 K1349 V1351 V1374 | G1318-L1372 WeakPolarHBondContact CA-O 3.49Å; I1319-L1372 HydrophobicContact CB-CB 4.17Å; I1319-L1372 HydrophobicContact CD1-CD1 4.36Å; I1319-L1372 PolarHBondContact N-O 3.43Å; I1319-L1372 PolarHBondContact O-N 3.38Å; I1321-L1372 HydrophobicContact CD1-CD1 3.82Å; I1321-L1372 HydrophobicContact CD1-CG 4.07Å; I1346-L1372 HydrophobicContact CG2-CD1 3.78Å; K1349-L1372 HydrophobicContact CB-CD2 4.21Å; V1351-L1372 HydrophobicContact CB-CD2 3.69Å; V1351-L1372 HydrophobicContact CB-CG 4.23Å; V1351-L1372 HydrophobicContact CG1-CD1 3.96Å; V1351-L1372 HydrophobicContact CG1-CD2 3.69Å; V1351-L1372 HydrophobicContact CG1-CG 3.7Å; L1372-V1374 HydrophobicContact CB-CG1 4.37Å |
| 1373 | D | 91.2 | Very high | 86.9 | Confident | 45 Ų | 45 | 44 Ų | 44 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 105.4 | 162.4 | -178.2 | -19 | 0 | 0 | 0 | 106.3 | R1316 K1349 F1371 L1552 | R1316-D1373 VanDerWaalsContact CG-OD1 3.29Å; R1316-D1373 WeakPolarHBondContact CG-OD1 3.41Å; R1316-D1373 IonicContact CZ-OD2 2.9Å; R1316-D1373 VanDerWaalsContact CZ-OD2 3.28Å; R1316-D1373 IonicContact NE-OD1 2.75Å; R1316-D1373 PolarHBondContact NE-OD1 3.32Å; R1316-D1373 IonicContact NE-OD2 3.49Å; R1316-D1373 PolarHBondContact NE-OD2 2.93Å; R1316-D1373 IonicContact NH2-OD2 2.8Å; R1316-D1373 PolarHBondContact NH2-OD2 3.36Å; K1349-D1373 VanDerWaalsContact CD-O 3.23Å; K1349-D1373 WeakPolarHBondContact CD-O 3.41Å; K1349-D1373 WeakPolarHBondContact CE-O 3.22Å; K1349-D1373 PolarHBondContact NZ-O 3.03Å; F1371-D1373 HydrophobicContact CE1-CB 3.99Å; D1373-L1552 HydrophobicContact CB-CD1 4.42Å |
| 1374 | V | 90.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.8 | -170.6 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | T1317 I1319 K1349 L1372 L1376 | T1317-V1374 PolarHBondContact N-O 3.27Å; T1317-V1374 PolarHBondContact O-N 2.72Å; T1317-V1374 VanDerWaalsContact O-O 3.08Å; I1319-V1374 HydrophobicContact CD1-CG1 3.78Å; I1319-V1374 HydrophobicContact CG1-CG1 4.01Å; K1349-V1374 HydrophobicContact CD-CB 4.14Å; K1349-V1374 HydrophobicContact CD-CG2 4.39Å; L1372-V1374 HydrophobicContact CB-CG1 4.37Å; V1374-L1376 HydrophobicContact CG1-CD1 3.99Å; V1374-L1376 HydrophobicContact CG1-CD2 4.19Å; V1374-L1376 HydrophobicContact CG1-CG 3.83Å; V1374-L1376 HydrophobicContact CG2-CD2 3.8Å; V1374-L1376 HydrophobicContact CG2-CG 4.13Å |
| 1375 | L | 89.7 | Confident | 86 | Confident | 100 Ų | 100 | 44.1 Ų | 44.1 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 111.2 | 171.6 | -70.9 | 171.9 | 0 | 0 | 0 | 108 | L1314 Q1315 R1316 | L1314-L1375 HydrophobicContact CB-CB 4.12Å; L1314-L1375 HydrophobicContact CD1-CB 4.01Å; Q1315-L1375 WeakPolarHBondContact O-CA 3.33Å; R1316-L1375 HydrophobicContact CB-CD2 4.17Å |
| 1376 | L | 88.7 | Confident | 85.8 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 152.3 | 178.8 | -63.8 | 178.5 | 0 | 0 | 0 | 110.9 | L1314 Q1315 T1317 I1319 I1346 V1374 K1378 L1383 P1384 | L1314-L1376 CarbonylContact C-O 3.59Å; L1314-L1376 WeakPolarHBondContact CA-O 3.46Å; Q1315-L1376 PolarHBondContact N-O 3.23Å; Q1315-L1376 PolarHBondContact O-N 3.14Å; T1317-L1376 HydrophobicContact CG2-CD1 4.01Å; I1319-L1376 HydrophobicContact CD1-CD1 4.1Å; I1319-L1376 HydrophobicContact CG1-CD1 4.45Å; I1346-L1376 HydrophobicContact CD1-CD1 4.19Å; I1346-L1376 HydrophobicContact CD1-CD2 3.97Å; I1346-L1376 HydrophobicContact CG1-CD2 4.01Å; V1374-L1376 HydrophobicContact CG1-CD1 3.99Å; V1374-L1376 HydrophobicContact CG1-CD2 4.19Å; V1374-L1376 HydrophobicContact CG1-CG 3.83Å; V1374-L1376 HydrophobicContact CG2-CD2 3.8Å; V1374-L1376 HydrophobicContact CG2-CG 4.13Å; L1376-K1378 PolarHBondContact O-N 3.05Å; L1376-L1383 HydrophobicContact CB-CD2 3.94Å; L1376-L1383 HydrophobicContact CD1-CD2 4.28Å; L1376-P1384 HydrophobicContact CD2-CG 3.94Å |
| 1377 | P | 86.9 | Confident | 85.8 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 134.9 | 173 | -31 | 38.5 | 0 | 0 | 0 | 113.4 | P1312 V1313 L1314 | P1312-P1377 HydrophobicContact CB-CB 3.69Å; P1312-P1377 HydrophobicContact CB-CG 3.76Å; P1312-P1377 HydrophobicContact CG-CG 4.34Å; V1313-P1377 WeakPolarHBondContact O-CA 3.46Å; L1314-P1377 HydrophobicContact CD2-CG 3.96Å |
| 1378 | K | 80.8 | Confident | 86 | Confident | 145 Ų | 145 | 37.5 Ų | 37.5 | 63% | 0.63 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -68 | -39.5 | 174.1 | -170.7 | 178.8 | -179.9 | -179.2 | 0 | 111.2 | V1313 Q1315 L1376 | V1313-K1378 PolarHBondContact O-N 2.9Å; Q1315-K1378 HydrophobicContact CB-CB 4.47Å; L1376-K1378 PolarHBondContact O-N 3.05Å |
| 1379 | E | 76.8 | Confident | 86 | Confident | 86 Ų | 86 | 37.6 Ų | 37.6 | 40% | 0.402 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -79.5 | 129.2 | 173.3 | -56 | 106.9 | 174.6 | 0 | 0 | 111.4 | I1381 Y1382 | E1379-I1381 VanDerWaalsContact C-N 3.29Å; E1379-I1381 HydrophobicContact CB-CG1 4.17Å; E1379-I1381 PolarHBondContact O-N 3.05Å; E1379-Y1382 HydrophobicContact CB-CD2 3.78Å; E1379-Y1382 HydrophobicContact CB-CE2 4.08Å; E1379-Y1382 HydrophobicContact CG-CD2 4.47Å; E1379-Y1382 HydrophobicContact CG-CE2 4.39Å; E1379-Y1382 PolarHBondContact O-N 3.1Å; E1379-Y1382 VanDerWaalsContact OE2-CD2 3.25Å; E1379-Y1382 WeakPolarHBondContact OE2-CD2 3.22Å; E1379-Y1382 VanDerWaalsContact OE2-CE2 3.3Å; E1379-Y1382 WeakPolarHBondContact OE2-CE2 3.17Å |
| 1380 | E | 72 | Confident | 86.2 | Confident | 82 Ų | 82 | 34.1 Ų | 34.1 | 38% | 0.383 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -62.1 | -35 | -175.7 | 177.7 | 150.9 | -124.3 | 0 | 0 | 113.8 | Y1382 L1383 K1414 | E1380-Y1382 PolarHBondContact O-N 3.43Å; E1380-L1383 HydrophobicContact CG-CD1 4.27Å; E1380-L1383 PolarHBondContact O-N 2.86Å; E1380-L1383 VanDerWaalsContact O-N 3.13Å; E1380-K1414 IonicContact OE1-NZ 3.6Å; E1380-K1414 PolarHBondContact OE1-NZ 2.83Å; E1380-K1414 IonicContact OE2-NZ 3.16Å |
| 1381 | I | 74.1 | Confident | 86.1 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 44% | 0.441 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -60.3 | -16.7 | -179.9 | 59.7 | 168 | 0 | 0 | 0 | 113.1 | W1266 E1379 | W1266-I1381 PolarHBondContact NE1-O 2.97Å; E1379-I1381 VanDerWaalsContact C-N 3.29Å; E1379-I1381 HydrophobicContact CB-CG1 4.17Å; E1379-I1381 PolarHBondContact O-N 3.05Å |
| 1382 | Y | 79.4 | Confident | 86.2 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -106.5 | -2.7 | -178.6 | -57.4 | -45 | 0 | 0 | 0 | 114.6 | Q1163 V1263 L1264 L1280 P1312 E1379 E1380 | Q1163-Y1382 PolarHBondContact NE2-O 3.39Å; V1263-Y1382 WeakPolarHBondContact CG1-OH 3.37Å; L1264-Y1382 HydrophobicContact CB-CD1 4.34Å; L1264-Y1382 HydrophobicContact CB-CE1 3.72Å; L1264-Y1382 WeakPolarHBondContact O-CE1 3.4Å; L1280-Y1382 HydrophobicContact CD1-CD1 4.13Å; L1280-Y1382 HydrophobicContact CD1-CE1 4.31Å; L1280-Y1382 HydrophobicContact CD2-CD1 3.85Å; P1312-Y1382 HydrophobicContact CB-CD2 3.6Å; P1312-Y1382 HydrophobicContact CB-CE2 4.42Å; P1312-Y1382 HydrophobicContact CB-CG 3.89Å; P1312-Y1382 HydrophobicContact CG-CD1 4.26Å; P1312-Y1382 HydrophobicContact CG-CD2 3.73Å; P1312-Y1382 HydrophobicContact CG-CE2 4.45Å; P1312-Y1382 HydrophobicContact CG-CG 3.6Å; E1379-Y1382 HydrophobicContact CB-CD2 3.78Å; E1379-Y1382 HydrophobicContact CB-CE2 4.08Å; E1379-Y1382 HydrophobicContact CG-CD2 4.47Å; E1379-Y1382 HydrophobicContact CG-CE2 4.39Å; E1379-Y1382 PolarHBondContact O-N 3.1Å; E1379-Y1382 VanDerWaalsContact OE2-CD2 3.25Å; E1379-Y1382 WeakPolarHBondContact OE2-CD2 3.22Å; E1379-Y1382 VanDerWaalsContact OE2-CE2 3.3Å; E1379-Y1382 WeakPolarHBondContact OE2-CE2 3.17Å; E1380-Y1382 PolarHBondContact O-N 3.43Å |
| 1383 | L | 80.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 126.4 | -177.3 | -76 | 172.7 | 0 | 0 | 0 | 110.6 | L1376 E1380 F1410 | L1376-L1383 HydrophobicContact CB-CD2 3.94Å; L1376-L1383 HydrophobicContact CD1-CD2 4.28Å; E1380-L1383 HydrophobicContact CG-CD1 4.27Å; E1380-L1383 PolarHBondContact O-N 2.86Å; E1380-L1383 VanDerWaalsContact O-N 3.13Å; L1383-F1410 HydrophobicContact CB-CD2 4.03Å; L1383-F1410 HydrophobicContact CB-CE2 4.24Å; L1383-F1410 HydrophobicContact CD1-CB 4.18Å; L1383-F1410 HydrophobicContact CD1-CD2 4.04Å; L1383-F1410 HydrophobicContact CD1-CG 4.41Å |
| 1384 | P | 81.3 | Confident | 86.1 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 147.4 | 174.4 | 29.4 | -34.1 | 0 | 0 | 0 | 109.2 | I1346 L1376 F1410 | I1346-P1384 HydrophobicContact CD1-CG 4.5Å; I1346-P1384 HydrophobicContact CG1-CG 3.95Å; L1376-P1384 HydrophobicContact CD2-CG 3.94Å; P1384-F1410 WeakPolarHBondContact O-CE2 3.37Å; P1384-F1410 VanDerWaalsContact O-CZ 3.31Å; P1384-F1410 WeakPolarHBondContact O-CZ 3.48Å |
| 1385 | P | 86.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 159.5 | 174.1 | 32.7 | -38.6 | 0 | 0 | 0 | 111.3 | R1165 C1199 V1406 L1407 T1408 | R1165-P1385 HydrophobicContact CB-CB 4.35Å; R1165-P1385 HydrophobicContact CB-CG 3.76Å; C1199-P1385 HydrophobicContact CB-CG 3.51Å; C1199-P1385 WeakPolarHBondContact SG-CG 3.32Å; P1385-V1406 HydrophobicContact CB-CG1 3.73Å; P1385-V1406 HydrophobicContact CG-CG1 4.4Å; P1385-L1407 CarbonylContact C-O 3.04Å; P1385-L1407 WeakPolarHBondContact CA-O 3.45Å; P1385-L1407 WeakPolarHBondContact CB-O 3.18Å; P1385-T1408 HydrophobicContact CB-CG2 4.17Å |
| 1386 | M | 89 | Confident | 85.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.5 | 172.7 | -179.4 | 167.4 | 53.4 | 0 | 0 | 110.1 | F1344 E1345 I1346 I1388 L1407 F1410 F1547 | F1344-M1386 HydrophobicContact CB-SD 4.48Å; F1344-M1386 HydrophobicContact CD1-SD 4.27Å; E1345-M1386 CarbonylContact O-C 3.53Å; E1345-M1386 WeakPolarHBondContact O-CA 3.24Å; I1346-M1386 HydrophobicContact CB-CB 4.17Å; I1346-M1386 HydrophobicContact CB-CG 4.21Å; I1346-M1386 HydrophobicContact CD1-CB 4.23Å; I1346-M1386 HydrophobicContact CG1-CB 4.44Å; M1386-I1388 HydrophobicContact CG-CG1 4.49Å; M1386-L1407 HydrophobicContact CB-CB 4.35Å; M1386-L1407 HydrophobicContact CE-CD2 3.64Å; M1386-L1407 PolarHBondContact N-O 2.83Å; M1386-L1407 PolarHBondContact O-N 3.31Å; M1386-F1410 HydrophobicContact CB-CE1 3.94Å; M1386-F1410 HydrophobicContact CB-CZ 3.88Å; M1386-F1410 HydrophobicContact CE-CE1 4.22Å; M1386-F1547 HydrophobicContact CE-CD1 3.65Å; M1386-F1547 HydrophobicContact CE-CD2 3.77Å; M1386-F1547 HydrophobicContact CE-CE1 3.27Å; M1386-F1547 HydrophobicContact CE-CE2 3.41Å; M1386-F1547 VanDerWaalsContact CE-CE2 3.41Å; M1386-F1547 HydrophobicContact CE-CG 3.88Å; M1386-F1547 HydrophobicContact CE-CZ 3.16Å; M1386-F1547 HydrophobicContact SD-CD1 4.34Å; M1386-F1547 HydrophobicContact SD-CE1 3.91Å; M1386-F1547 HydrophobicContact SD-CZ 4.24Å |
| 1387 | N | 87.9 | Confident | 85.3 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129 | 173.5 | -58.6 | -34.6 | 0 | 0 | 0 | 109.2 | C1199 F1344 E1345 | C1199-N1387 PolarHBondContact SG-OD1 2.68Å; F1344-N1387 WeakPolarHBondContact CA-O 3.49Å; E1345-N1387 HydrophobicContact CB-CB 4.24Å; E1345-N1387 PolarHBondContact N-O 3.5Å; E1345-N1387 PolarHBondContact O-N 2.98Å; E1345-N1387 PolarHBondContact OE2-ND2 2.65Å |
| 1388 | I | 91.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 102.1 | 175.3 | -52.8 | 176.2 | 0 | 0 | 0 | 107 | V1342 F1344 M1386 V1404 H1405 F1524 F1543 F1547 | V1342-I1388 HydrophobicContact CG1-CG2 3.67Å; F1344-I1388 HydrophobicContact CD1-CG1 4.01Å; F1344-I1388 HydrophobicContact CD1-CG2 4.28Å; F1344-I1388 HydrophobicContact CE1-CD1 4.4Å; F1344-I1388 HydrophobicContact CE1-CG1 4.16Å; F1344-I1388 HydrophobicContact CE1-CG2 3.9Å; M1386-I1388 HydrophobicContact CG-CG1 4.49Å; I1388-V1404 CarbonylContact O-C 3.59Å; I1388-V1404 WeakPolarHBondContact O-CA 3.15Å; I1388-H1405 HydrophobicContact CB-CB 4.32Å; I1388-H1405 PolarHBondContact N-O 3.2Å; I1388-H1405 PolarHBondContact O-N 3.13Å; I1388-F1524 HydrophobicContact CD1-CD2 4.36Å; I1388-F1524 HydrophobicContact CD1-CG 4.31Å; I1388-F1543 HydrophobicContact CD1-CD1 4.15Å; I1388-F1543 HydrophobicContact CD1-CE1 4.22Å; I1388-F1543 HydrophobicContact CG2-CD1 3.67Å; I1388-F1543 HydrophobicContact CG2-CE1 4.07Å; I1388-F1543 HydrophobicContact CG2-CG 4.04Å; I1388-F1547 HydrophobicContact CD1-CE2 4.35Å; I1388-F1547 HydrophobicContact CD1-CZ 3.88Å |
| 1389 | C | 90.8 | Very high | 85.5 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 10% | 0.095 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.5 | -173.4 | -70.8 | 0 | 0 | 0 | 0 | 110.7 | V1342 E1343 | V1342-C1389 CarbonylContact C-O 3.51Å; V1342-C1389 WeakPolarHBondContact CA-O 3.34Å; E1343-C1389 HydrophobicContact CB-CB 4.18Å; E1343-C1389 PolarHBondContact N-O 3.03Å; E1343-C1389 PolarHBondContact O-N 2.84Å |
| 1390 | V | 94.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.6 | 176.4 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | V1326 M1329 P1340 S1341 V1342 M1401 V1402 G1403 L1526 | V1326-V1390 HydrophobicContact CG1-CG1 4.28Å; M1329-V1390 HydrophobicContact CE-CB 4.45Å; M1329-V1390 HydrophobicContact CE-CG1 3.95Å; P1340-V1390 HydrophobicContact CB-CG1 3.86Å; S1341-V1390 WeakPolarHBondContact O-CA 3.47Å; V1342-V1390 HydrophobicContact CG2-CG2 4.11Å; V1390-M1401 CarbonylContact O-C 3.56Å; V1390-M1401 WeakPolarHBondContact O-CA 3.39Å; V1390-V1402 HydrophobicContact CB-CG2 4.09Å; V1390-V1402 HydrophobicContact CG1-CG2 3.82Å; V1390-V1402 WeakPolarHBondContact O-CG2 3.19Å; V1390-V1402 PolarHBondContact O-N 2.88Å; V1390-G1403 PolarHBondContact N-O 3.34Å; V1390-L1526 HydrophobicContact CB-CD1 4.31Å; V1390-L1526 HydrophobicContact CG2-CD1 3.5Å; V1390-L1526 VanDerWaalsContact CG2-CD1 3.5Å; V1390-L1526 HydrophobicContact CG2-CD2 3.91Å; V1390-L1526 HydrophobicContact CG2-CG 4.37Å |
| 1391 | R | 92.7 | Very high | 86.8 | Confident | 83 Ų | 83 | 45.8 Ų | 45.8 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.8 | 177.6 | -63.4 | -177 | -177.7 | -103.3 | 4.4 | 111 | P1340 S1341 E1343 P1400 M1401 | P1340-R1391 CarbonylContact C-O 3.58Å; P1340-R1391 WeakPolarHBondContact CA-O 3.17Å; S1341-R1391 PolarHBondContact N-O 2.99Å; S1341-R1391 PolarHBondContact O-N 2.98Å; E1343-R1391 IonicContact OE2-CZ 2.88Å; E1343-R1391 IonicContact OE2-NE 2.7Å; E1343-R1391 PolarHBondContact OE2-NE 3.38Å; E1343-R1391 IonicContact OE2-NH2 3.25Å; E1343-R1391 PolarHBondContact OE2-NH2 2.84Å; E1343-R1391 VanDerWaalsContact OE2-NH2 3.14Å; R1391-P1400 VanDerWaalsContact CA-O 3.31Å; R1391-P1400 WeakPolarHBondContact CA-O 3.44Å; R1391-M1401 HydrophobicContact CG-CB 4.45Å |
| 1392 | D | 93.4 | Very high | 87.5 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.6 | 179 | -176.4 | 44 | 0 | 0 | 0 | 110.8 | V1337 N1338 S1339 R1394 K1399 P1400 V1402 | V1337-D1392 HydrophobicContact CG1-CB 4.02Å; V1337-D1392 HydrophobicContact CG2-CB 4.48Å; N1338-D1392 PolarHBondContact N-OD1 2.99Å; N1338-D1392 VanDerWaalsContact N-OD1 3.08Å; S1339-D1392 PolarHBondContact N-OD1 3.17Å; D1392-R1394 PolarHBondContact O-N 2.87Å; D1392-R1394 WeakPolarHBondContact OD2-CG 3.32Å; D1392-R1394 IonicContact OD2-CZ 2.76Å; D1392-R1394 IonicContact OD2-NE 2.76Å; D1392-R1394 PolarHBondContact OD2-NE 2.78Å; D1392-R1394 IonicContact OD2-NH2 3.53Å; D1392-K1399 WeakPolarHBondContact O-CA 3.21Å; D1392-P1400 PolarHBondContact N-O 2.74Å; D1392-P1400 VanDerWaalsContact O-CD 3.26Å; D1392-P1400 WeakPolarHBondContact O-CD 3.39Å; D1392-V1402 HydrophobicContact CB-CG1 3.68Å; D1392-V1402 HydrophobicContact CB-CG2 4.37Å |
| 1393 | H | 92.8 | Very high | 88 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | trans | -85.7 | 108.5 | -179.2 | -67.2 | -118.4 | 0 | 0 | 0 | 110.2 | S1339 S1341 I1355 K1399 | S1339-H1393 WeakPolarHBondContact CB-O 3.12Å; S1339-H1393 WeakPolarHBondContact O-CB 3.41Å; S1339-H1393 PolarHBondContact O-CD2 3.31Å; S1339-H1393 PolarHBondContact O-N 3.05Å; S1341-H1393 PolarHBondContact OG-NE2 3.38Å; I1355-H1393 VanDerWaalsContact CD1-CE1 3.44Å; I1355-H1393 WeakPolarHBondContact CD1-CE1 3.44Å; I1355-H1393 WeakPolarHBondContact CD1-ND1 3Å; H1393-K1399 VanDerWaalsContact CE1-CE 3.47Å; H1393-K1399 WeakPolarHBondContact CE1-CE 3.29Å; H1393-K1399 VanDerWaalsContact ND1-CE 3.32Å; H1393-K1399 WeakPolarHBondContact ND1-CE 3.44Å | ||
| 1394 | R | 88.5 | Confident | 88.4 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 21% | 0.211 | 22% | 0.215 | C | C | . | . | trans | -106.5 | 173.2 | -176.1 | -61.5 | -179.5 | 178.1 | -170.7 | -2.5 | 111.8 | Y1332 D1392 Q1398 | Y1332-R1394 PolarHBondContact O-NH1 2.97Å; Y1332-R1394 PolarHBondContact O-NH2 2.83Å; D1392-R1394 PolarHBondContact O-N 2.87Å; D1392-R1394 WeakPolarHBondContact OD2-CG 3.32Å; D1392-R1394 IonicContact OD2-CZ 2.76Å; D1392-R1394 IonicContact OD2-NE 2.76Å; D1392-R1394 PolarHBondContact OD2-NE 2.78Å; D1392-R1394 IonicContact OD2-NH2 3.53Å; R1394-Q1398 HydrophobicContact CB-CB 4.17Å; R1394-Q1398 PolarHBondContact N-O 3.43Å | ||
| 1395 | A | 84.7 | Confident | 88.7 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 58% | 0.579 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -57 | 156 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1397 | A1395-G1397 PolarHBondContact O-N 2.97Š|
| 1396 | F | 86.6 | Confident | 88.7 | Confident | 210 Ų | 210 | 43.7 Ų | 43.7 | 92% | 0.921 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | 60 | 22.7 | -179 | -48.8 | -75.8 | 0 | 0 | 0 | 115.1 | Q1398 | F1396-Q1398 VanDerWaalsContact C-N 3.33Å; F1396-Q1398 PolarHBondContact O-N 2.88Å |
| 1397 | G | 81.4 | Confident | 88.7 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 65% | 0.649 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | 79.7 | 8.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | A1395 | A1395-G1397 PolarHBondContact O-N 2.97Š|
| 1398 | Q | 84 | Confident | 88.3 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | trans | -69.3 | 131.3 | 175.8 | -69.8 | -169.9 | -3.9 | 0 | 0 | 111.3 | R1394 F1396 | R1394-Q1398 HydrophobicContact CB-CB 4.17Å; R1394-Q1398 PolarHBondContact N-O 3.43Å; F1396-Q1398 VanDerWaalsContact C-N 3.33Å; F1396-Q1398 PolarHBondContact O-N 2.88Å | ||
| 1399 | K | 87.8 | Confident | 87.8 | Confident | 111 Ų | 111 | 50.7 Ų | 50.7 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | trans | -130.5 | 61.8 | 178.5 | -60.5 | -179 | -174.9 | -179 | 0 | 112.2 | D1392 H1393 | D1392-K1399 WeakPolarHBondContact O-CA 3.21Å; H1393-K1399 VanDerWaalsContact CE1-CE 3.47Å; H1393-K1399 WeakPolarHBondContact CE1-CE 3.29Å; H1393-K1399 VanDerWaalsContact ND1-CE 3.32Å; H1393-K1399 WeakPolarHBondContact ND1-CE 3.44Å | ||
| 1400 | P | 88.5 | Confident | 87.5 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 17% | 0.169 | 27% | 0.265 | C | S | . | . | trans | -59.8 | 142.1 | 178.8 | 25.6 | -36.2 | 0 | 0 | 0 | 111.9 | Y1332 R1391 D1392 V1402 | Y1332-P1400 HydrophobicContact CD1-CB 4.11Å; Y1332-P1400 HydrophobicContact CD1-CG 4.4Å; Y1332-P1400 HydrophobicContact CE1-CB 3.6Å; Y1332-P1400 HydrophobicContact CE1-CG 4.32Å; R1391-P1400 VanDerWaalsContact CA-O 3.31Å; R1391-P1400 WeakPolarHBondContact CA-O 3.44Å; D1392-P1400 PolarHBondContact N-O 2.74Å; D1392-P1400 VanDerWaalsContact O-CD 3.26Å; D1392-P1400 WeakPolarHBondContact O-CD 3.39Å; P1400-V1402 HydrophobicContact CG-CG1 4.48Å | ||
| 1401 | M | 87.1 | Confident | 86.9 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.9 | 165 | -174.2 | -104.9 | -77.8 | 0 | 0 | 108.5 | S1173 L1175 V1390 R1391 V1404 | S1173-M1401 VanDerWaalsContact O-CE 3.24Å; S1173-M1401 WeakPolarHBondContact O-CE 3.49Å; L1175-M1401 HydrophobicContact CD1-CE 3.73Å; L1175-M1401 HydrophobicContact CD2-CE 3.74Å; L1175-M1401 HydrophobicContact CG-CE 3.51Å; V1390-M1401 CarbonylContact O-C 3.56Å; V1390-M1401 WeakPolarHBondContact O-CA 3.39Å; R1391-M1401 HydrophobicContact CG-CB 4.45Å; M1401-V1404 HydrophobicContact SD-CB 4.17Å |
| 1402 | V | 88.8 | Confident | 86.3 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -14.1 | -171.1 | -63.9 | 0 | 0 | 0 | 0 | 113 | M1329 Y1332 V1337 V1390 D1392 P1400 A1540 | M1329-V1402 HydrophobicContact CE-CG2 3.64Å; Y1332-V1402 HydrophobicContact CD1-CG1 3.93Å; Y1332-V1402 HydrophobicContact CD2-CG1 4.38Å; Y1332-V1402 HydrophobicContact CG-CB 4.29Å; Y1332-V1402 HydrophobicContact CG-CG1 3.78Å; V1337-V1402 HydrophobicContact CG1-CG2 4.29Å; V1337-V1402 HydrophobicContact CG2-CB 3.98Å; V1337-V1402 HydrophobicContact CG2-CG1 3.96Å; V1337-V1402 HydrophobicContact CG2-CG2 3.97Å; V1390-V1402 HydrophobicContact CB-CG2 4.09Å; V1390-V1402 HydrophobicContact CG1-CG2 3.82Å; V1390-V1402 WeakPolarHBondContact O-CG2 3.19Å; V1390-V1402 PolarHBondContact O-N 2.88Å; D1392-V1402 HydrophobicContact CB-CG1 3.68Å; D1392-V1402 HydrophobicContact CB-CG2 4.37Å; P1400-V1402 HydrophobicContact CG-CG1 4.48Å; V1402-A1540 WeakPolarHBondContact O-CB 3.33Å |
| 1403 | G | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173 | 152.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1390 S1527 | V1390-G1403 PolarHBondContact N-O 3.34Å; G1403-S1527 WeakPolarHBondContact CA-O 3.28Å |
| 1404 | V | 88.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.5 | -178.9 | 62 | 0 | 0 | 0 | 0 | 111 | I1388 M1401 L1526 S1527 | I1388-V1404 CarbonylContact O-C 3.59Å; I1388-V1404 WeakPolarHBondContact O-CA 3.15Å; M1401-V1404 HydrophobicContact SD-CB 4.17Å; V1404-L1526 WeakPolarHBondContact O-CA 3.32Å; V1404-S1527 PolarHBondContact N-O 2.9Å; V1404-S1527 PolarHBondContact O-N 3.12Å; V1404-S1527 PolarHBondContact O-OG 2.97Å |
| 1405 | H | 89.5 | Confident | 85.3 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 21% | 0.213 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141 | 168.1 | -176 | 89.5 | 0 | 0 | 0 | 109.7 | I1388 F1524 T1525 L1526 | I1388-H1405 HydrophobicContact CB-CB 4.32Å; I1388-H1405 PolarHBondContact N-O 3.2Å; I1388-H1405 PolarHBondContact O-N 3.13Å; H1405-F1524 AromaticContact CD2-CD1 3.86Å; H1405-F1524 AromaticContact NE2-CD1 3.56Å; H1405-T1525 PolarHBondContact ND1-O 3.44Å; H1405-L1526 HydrophobicContact CB-CD2 4.04Å |
| 1406 | V | 86.3 | Confident | 85.1 | Confident | 29 Ų | 29 | 59.3 Ų | 59.3 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 108.9 | 178.8 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | C1199 P1385 T1408 | C1199-V1406 WeakPolarHBondContact SG-CG1 3.39Å; P1385-V1406 HydrophobicContact CB-CG1 3.73Å; P1385-V1406 HydrophobicContact CG-CG1 4.4Å; V1406-T1408 HydrophobicContact CG1-CG2 4.11Å |
| 1407 | L | 87.5 | Confident | 84.8 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.2 | 177 | -178 | 66.8 | 0 | 0 | 0 | 110.1 | P1385 M1386 D1409 F1410 F1413 F1524 F1547 | P1385-L1407 CarbonylContact C-O 3.04Å; P1385-L1407 WeakPolarHBondContact CA-O 3.45Å; P1385-L1407 WeakPolarHBondContact CB-O 3.18Å; M1386-L1407 HydrophobicContact CB-CB 4.35Å; M1386-L1407 HydrophobicContact CE-CD2 3.64Å; M1386-L1407 PolarHBondContact N-O 2.83Å; M1386-L1407 PolarHBondContact O-N 3.31Å; L1407-D1409 WeakPolarHBondContact CD1-O 3.28Å; L1407-F1410 HydrophobicContact CD2-CD1 4.12Å; L1407-F1410 HydrophobicContact CD2-CE1 3.94Å; L1407-F1410 HydrophobicContact CG-CE1 4.32Å; L1407-F1413 HydrophobicContact CD1-CE2 4.09Å; L1407-F1413 HydrophobicContact CD2-CD2 4.06Å; L1407-F1413 HydrophobicContact CD2-CE2 3.64Å; L1407-F1413 HydrophobicContact CD2-CZ 4.45Å; L1407-F1413 HydrophobicContact CG-CE2 4.42Å; L1407-F1524 HydrophobicContact CD1-CE1 3.99Å; L1407-F1547 HydrophobicContact CD2-CD2 4.01Å; L1407-F1547 HydrophobicContact CD2-CE2 3.85Å |
| 1408 | T | 80.4 | Confident | 84.7 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | trans | -105 | -20 | -177.5 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | P1385 V1406 | P1385-T1408 HydrophobicContact CB-CG2 4.17Å; V1406-T1408 HydrophobicContact CG1-CG2 4.11Å | ||
| 1409 | D | 81.7 | Confident | 84.1 | Confident | 90 Ų | 90 | 49 Ų | 49 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | trans | -112.1 | 123.1 | -180 | -179.3 | 14 | 0 | 0 | 0 | 110.2 | L1407 Q1411 | L1407-D1409 WeakPolarHBondContact CD1-O 3.28Å; D1409-Q1411 WeakPolarHBondContact OD1-CB 3.49Å; D1409-Q1411 PolarHBondContact OD1-N 3.47Å | ||
| 1410 | F | 84.5 | Confident | 83.2 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | trans | -109.8 | -3.1 | -176.8 | -63.8 | -80.1 | 0 | 0 | 0 | 113.3 | I1346 L1383 P1384 M1386 L1407 A1412 F1413 K1414 I1549 | I1346-F1410 HydrophobicContact CD1-CE1 3.96Å; I1346-F1410 HydrophobicContact CD1-CZ 3.69Å; L1383-F1410 HydrophobicContact CB-CD2 4.03Å; L1383-F1410 HydrophobicContact CB-CE2 4.24Å; L1383-F1410 HydrophobicContact CD1-CB 4.18Å; L1383-F1410 HydrophobicContact CD1-CD2 4.04Å; L1383-F1410 HydrophobicContact CD1-CG 4.41Å; P1384-F1410 WeakPolarHBondContact O-CE2 3.37Å; P1384-F1410 VanDerWaalsContact O-CZ 3.31Å; P1384-F1410 WeakPolarHBondContact O-CZ 3.48Å; M1386-F1410 HydrophobicContact CB-CE1 3.94Å; M1386-F1410 HydrophobicContact CB-CZ 3.88Å; M1386-F1410 HydrophobicContact CE-CE1 4.22Å; L1407-F1410 HydrophobicContact CD2-CD1 4.12Å; L1407-F1410 HydrophobicContact CD2-CE1 3.94Å; L1407-F1410 HydrophobicContact CG-CE1 4.32Å; F1410-A1412 VanDerWaalsContact C-N 3.25Å; F1410-A1412 PolarHBondContact O-N 3.07Å; F1410-F1413 PolarHBondContact O-N 2.98Å; F1410-K1414 PolarHBondContact O-N 2.94Å; F1410-I1549 HydrophobicContact CB-CD1 4.05Å; F1410-I1549 HydrophobicContact CD1-CD1 3.49Å; F1410-I1549 VanDerWaalsContact CD1-CD1 3.49Å; F1410-I1549 HydrophobicContact CE1-CD1 4.31Å; F1410-I1549 HydrophobicContact CG-CD1 4.12Å | ||
| 1411 | Q | 80.7 | Confident | 82 | Confident | 134 Ų | 134 | 51 Ų | 51 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -57.9 | -40.8 | -170.1 | -170.6 | 177.9 | -4.5 | 0 | 0 | 111.5 | D1409 F1413 | D1409-Q1411 WeakPolarHBondContact OD1-CB 3.49Å; D1409-Q1411 PolarHBondContact OD1-N 3.47Å; Q1411-F1413 PolarHBondContact O-N 3.5Å |
| 1412 | A | 79.8 | Confident | 80.5 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -67.3 | -13.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1410 | F1410-A1412 VanDerWaalsContact C-N 3.25Å; F1410-A1412 PolarHBondContact O-N 3.07Å |
| 1413 | F | 87.4 | Confident | 79.2 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -109.6 | -8.3 | -175.2 | -53.2 | -64.2 | 0 | 0 | 0 | 113.9 | L1407 F1410 Q1411 N1522 F1524 F1547 R1548 I1549 | L1407-F1413 HydrophobicContact CD1-CE2 4.09Å; L1407-F1413 HydrophobicContact CD2-CD2 4.06Å; L1407-F1413 HydrophobicContact CD2-CE2 3.64Å; L1407-F1413 HydrophobicContact CD2-CZ 4.45Å; L1407-F1413 HydrophobicContact CG-CE2 4.42Å; F1410-F1413 PolarHBondContact O-N 2.98Å; Q1411-F1413 PolarHBondContact O-N 3.5Å; F1413-N1522 WeakPolarHBondContact CE1-OD1 3.39Å; F1413-F1524 HydrophobicContact CE1-CZ 4.45Å; F1413-F1524 HydrophobicContact CZ-CE1 4.26Å; F1413-F1524 AromaticContact CZ-CZ 3.88Å; F1413-F1524 HydrophobicContact CZ-CZ 3.88Å; F1413-F1547 HydrophobicContact CB-CB 3.94Å; F1413-F1547 HydrophobicContact CD1-CB 4.02Å; F1413-F1547 HydrophobicContact CD1-CD2 4.06Å; F1413-F1547 HydrophobicContact CD2-CD2 4.21Å; F1413-F1547 HydrophobicContact CE1-CD2 4.06Å; F1413-F1547 HydrophobicContact CE2-CD2 4.24Å; F1413-F1547 HydrophobicContact CG-CB 3.93Å; F1413-F1547 HydrophobicContact CG-CD2 4.14Å; F1413-F1547 HydrophobicContact CZ-CD2 4.16Å; F1413-R1548 WeakPolarHBondContact O-CA 3.24Å; F1413-I1549 HydrophobicContact CB-CD1 4.05Å; F1413-I1549 HydrophobicContact CB-CG1 4.2Å; F1413-I1549 PolarHBondContact O-N 2.59Å |
| 1414 | K | 84.7 | Confident | 77.5 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -74.8 | 130.8 | 177.5 | -76.1 | 178.7 | 177.1 | 166.3 | 0 | 111.2 | E1380 F1410 I1549 | E1380-K1414 IonicContact OE1-NZ 3.6Å; E1380-K1414 PolarHBondContact OE1-NZ 2.83Å; E1380-K1414 IonicContact OE2-NZ 3.16Å; F1410-K1414 PolarHBondContact O-N 2.94Å; K1414-I1549 WeakPolarHBondContact CA-O 3.31Å; K1414-I1549 HydrophobicContact CG-CB 4.3Å; K1414-I1549 HydrophobicContact CG-CG2 4.46Å |
| 1415 | V | 82.6 | Confident | 76.1 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 21% | 0.212 | 37% | 0.366 | C | S | . | . | trans | -138.7 | 158.3 | -179.6 | -66.6 | 0 | 0 | 0 | 0 | 111 | R1548 I1549 Y1550 Y1564 | V1415-R1548 HydrophobicContact CG2-CB 3.82Å; V1415-R1548 HydrophobicContact CG2-CG 4.36Å; V1415-I1549 PolarHBondContact N-O 3.08Å; V1415-Y1550 HydrophobicContact CG2-CD1 4.07Å; V1415-Y1550 WeakPolarHBondContact O-CB 3.47Å; V1415-Y1564 HydrophobicContact CB-CE2 4.21Å; V1415-Y1564 HydrophobicContact CG2-CD2 4.03Å; V1415-Y1564 HydrophobicContact CG2-CE1 4.49Å; V1415-Y1564 HydrophobicContact CG2-CE2 3.46Å; V1415-Y1564 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 1416 | P | 80.2 | Confident | 74.3 | Confident | 100 Ų | 100 | 65 Ų | 65 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 149.8 | 172.9 | 27.1 | -33.5 | 0 | 0 | 0 | 111.7 | Y1564 | P1416-Y1564 VanDerWaalsContact O-CE2 3.32Å; P1416-Y1564 WeakPolarHBondContact O-CE2 3.45Å; P1416-Y1564 PolarHBondContact O-OH 3.06Å |
| 1417 | A | 80.7 | Confident | 72.4 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -69 | 131.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1550 P1561 | A1417-Y1550 HydrophobicContact CB-CD2 4.01Å; A1417-P1561 HydrophobicContact CB-CB 4.06Å; A1417-P1561 HydrophobicContact CB-CG 3.85Å |
| 1418 | R | 78.8 | Confident | 70.7 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 7% | 0.068 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -80.5 | 128.9 | 179.7 | -61.5 | 177.9 | 67.8 | -165.3 | 6.8 | 111.7 | Q1421 D1423 P1561 I1562 R1563 Y1564 | R1418-Q1421 PolarHBondContact NH2-O 3.21Å; R1418-Q1421 VanDerWaalsContact NH2-O 3.16Å; R1418-D1423 WeakPolarHBondContact CA-OD2 3.25Å; R1418-D1423 HydrophobicContact CG-CB 4.43Å; R1418-P1561 WeakPolarHBondContact O-CA 3.18Å; R1418-P1561 WeakPolarHBondContact O-CB 3.46Å; R1418-I1562 HydrophobicContact CB-CB 4.15Å; R1418-I1562 WeakPolarHBondContact CB-O 3.49Å; R1418-I1562 PolarHBondContact O-N 2.89Å; R1418-I1562 VanDerWaalsContact O-N 3.1Å; R1418-R1563 PolarHBondContact NH1-O 2.72Å; R1418-Y1564 HydrophobicContact CG-CD2 4.15Å; R1418-Y1564 HydrophobicContact CG-CE1 4.01Å; R1418-Y1564 HydrophobicContact CG-CE2 3.57Å; R1418-Y1564 VanDerWaalsContact CG-CZ 3.48Å |
| 1419 | T | 70.8 | Confident | 69.4 | Low | 124 Ų | 124 | 73.1 Ų | 73.1 | 76% | 0.761 | 41% | 0.409 | S | S | * | . | trans | -105.2 | -26.2 | 177.3 | 61.6 | 0 | 0 | 0 | 0 | 112.6 | D1423 | T1419-D1423 PolarHBondContact N-OD2 2.96Å; T1419-D1423 PolarHBondContact OG1-OD2 3.17Å | ||
| 1420 | S | 68.4 | Low | 68.1 | Low | 43 Ų | 43 | 71.5 Ų | 71.5 | 30% | 0.301 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -129.6 | 153.4 | 178.9 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | T1422 D1423 | S1420-T1422 PolarHBondContact O-N 3.15Å; S1420-T1422 PolarHBondContact OG-N 3.45Å; S1420-T1422 PolarHBondContact OG-OG1 3.13Å; S1420-D1423 WeakPolarHBondContact CB-OD1 3.25Å; S1420-D1423 PolarHBondContact N-OD2 2.86Å; S1420-D1423 WeakPolarHBondContact O-CB 3.36Å; S1420-D1423 PolarHBondContact O-N 3.2Å |
| 1421 | Q | 64.5 | Low | 66.5 | Low | 137 Ų | 137 | 72 Ų | 72 | 64% | 0.64 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.4 | 170.9 | -70.2 | -169.7 | 0.6 | 0 | 0 | 112.5 | R1418 I1562 | R1418-Q1421 PolarHBondContact NH2-O 3.21Å; R1418-Q1421 VanDerWaalsContact NH2-O 3.16Å; Q1421-I1562 HydrophobicContact CG-CD1 4.02Å |
| 1422 | T | 56.3 | Low | 65 | Low | 111 Ų | 111 | 67.1 Ų | 67.1 | 68% | 0.681 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -0.5 | 178.7 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | S1420 V1424 | S1420-T1422 PolarHBondContact O-N 3.15Å; S1420-T1422 PolarHBondContact OG-N 3.45Å; S1420-T1422 PolarHBondContact OG-OG1 3.13Å; T1422-V1424 PolarHBondContact O-N 2.88Å |
| 1423 | D | 60.5 | Low | 63.7 | Low | 50 Ų | 50 | 66.9 Ų | 66.9 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -61.1 | 128.9 | 176.5 | -69.4 | -12 | 0 | 0 | 0 | 109.4 | R1418 T1419 S1420 L1425 | R1418-D1423 WeakPolarHBondContact CA-OD2 3.25Å; R1418-D1423 HydrophobicContact CG-CB 4.43Å; T1419-D1423 PolarHBondContact N-OD2 2.96Å; T1419-D1423 PolarHBondContact OG1-OD2 3.17Å; S1420-D1423 WeakPolarHBondContact CB-OD1 3.25Å; S1420-D1423 PolarHBondContact N-OD2 2.86Å; S1420-D1423 WeakPolarHBondContact O-CB 3.36Å; S1420-D1423 PolarHBondContact O-N 3.2Å; D1423-L1425 PolarHBondContact O-N 2.8Å |
| 1424 | V | 53.7 | Low | 61.8 | Low | 88 Ų | 88 | 66.8 Ų | 66.8 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | trans | -64.9 | 115.7 | -172.2 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | T1422 M1426 | T1422-V1424 PolarHBondContact O-N 2.88Å; V1424-M1426 WeakPolarHBondContact CG1-O 3.44Å; V1424-M1426 PolarHBondContact O-N 2.8Å | ||
| 1425 | L | 58.9 | Low | 60 | Low | 51 Ų | 51 | 64.6 Ų | 64.6 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -66.9 | -24.8 | -179.1 | -74.6 | 161.5 | 0 | 0 | 0 | 113 | D1423 Y1564 S1709 | D1423-L1425 PolarHBondContact O-N 2.8Å; L1425-Y1564 HydrophobicContact CD2-CD1 3.47Å; L1425-Y1564 VanDerWaalsContact CD2-CD1 3.47Å; L1425-Y1564 HydrophobicContact CD2-CE1 3.91Å; L1425-Y1564 HydrophobicContact CD2-CG 4.45Å; L1425-S1709 WeakPolarHBondContact CD1-OG 3.31Å |
| 1426 | M | 52.3 | Low | 58.1 | Low | 72 Ų | 72 | 67.6 Ų | 67.6 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -147.8 | 129.6 | -178.2 | -65.4 | -147.5 | 71.6 | 0 | 0 | 112 | V1424 I1428 K1672 Y1708 | V1424-M1426 WeakPolarHBondContact CG1-O 3.44Å; V1424-M1426 PolarHBondContact O-N 2.8Å; M1426-I1428 HydrophobicContact CB-CG1 4.4Å; M1426-I1428 PolarHBondContact O-N 3.3Å; M1426-K1672 HydrophobicContact CE-CD 4.31Å; M1426-K1672 HydrophobicContact SD-CD 3.41Å; M1426-K1672 WeakPolarHBondContact SD-CD 3.31Å; M1426-K1672 PolarHBondContact SD-NZ 2.75Å; M1426-Y1708 HydrophobicContact CB-CE1 4.4Å; M1426-Y1708 HydrophobicContact CG-CE1 4.49Å; M1426-Y1708 HydrophobicContact SD-CE1 4.46Å |
| 1427 | D | 46.9 | Very low | 56 | Low | 130 Ų | 130 | 65.8 Ų | 65.8 | 70% | 0.695 | 38% | 0.38 | S | S | * | . | trans | -74 | 76.6 | 173.1 | -149.8 | 3.5 | 0 | 0 | 0 | 109.8 | Q1429 T1432 | D1427-Q1429 PolarHBondContact O-N 2.74Å; D1427-T1432 PolarHBondContact OD1-OG1 2.82Å | ||
| 1428 | I | 52 | Low | 53.9 | Low | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.092 | 40% | 0.402 | C | S | . | . | trans | -85.5 | 105 | 165.3 | -64.3 | 177 | 0 | 0 | 0 | 104.1 | M1426 V1430 L1431 T1432 Y1708 P1765 | M1426-I1428 HydrophobicContact CB-CG1 4.4Å; M1426-I1428 PolarHBondContact O-N 3.3Å; I1428-V1430 HydrophobicContact CG2-CB 4.03Å; I1428-V1430 CarbonylContact O-C 3.55Å; I1428-V1430 PolarHBondContact O-N 3Å; I1428-L1431 HydrophobicContact CB-CB 4.03Å; I1428-L1431 HydrophobicContact CB-CD1 4.12Å; I1428-L1431 HydrophobicContact CB-CG 4.1Å; I1428-L1431 HydrophobicContact CD1-CD1 3.84Å; I1428-L1431 HydrophobicContact CG1-CD1 4.42Å; I1428-L1431 HydrophobicContact CG2-CB 4.35Å; I1428-L1431 HydrophobicContact CG2-CG 4.17Å; I1428-L1431 CarbonylContact O-C 3.59Å; I1428-L1431 VanDerWaalsContact O-CA 3.32Å; I1428-L1431 WeakPolarHBondContact O-CA 3.18Å; I1428-L1431 PolarHBondContact O-N 3Å; I1428-T1432 PolarHBondContact O-N 3.01Å; I1428-T1432 PolarHBondContact O-OG1 2.84Å; I1428-Y1708 HydrophobicContact CD1-CD1 4.25Å; I1428-Y1708 HydrophobicContact CD1-CE1 3.4Å; I1428-Y1708 HydrophobicContact CD1-CE2 4.33Å; I1428-Y1708 VanDerWaalsContact CD1-CZ 3.46Å; I1428-Y1708 WeakPolarHBondContact CD1-OH 3.4Å; I1428-P1765 HydrophobicContact CD1-CG 4.3Å; I1428-P1765 HydrophobicContact CG2-CG 4.07Å | ||
| 1429 | Q | 52.5 | Low | 51.7 | Low | 121 Ų | 121 | 77.2 Ų | 77.2 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -43.7 | -39.2 | 179.6 | -169.4 | 68.4 | 45.1 | 0 | 0 | 112.1 | D1427 T1432 D1433 | D1427-Q1429 PolarHBondContact O-N 2.74Å; Q1429-T1432 PolarHBondContact O-N 3.09Å; Q1429-D1433 PolarHBondContact NE2-OD1 3.5Å; Q1429-D1433 WeakPolarHBondContact O-CB 3.37Å; Q1429-D1433 PolarHBondContact O-N 3.22Å |
| 1430 | V | 54.4 | Low | 49.9 | Very low | 56 Ų | 56 | 80 Ų | 80 | 34% | 0.339 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | I1428 I1434 | I1428-V1430 HydrophobicContact CG2-CB 4.03Å; I1428-V1430 CarbonylContact O-C 3.55Å; I1428-V1430 PolarHBondContact O-N 3Å; V1430-I1434 HydrophobicContact CG1-CD1 3.94Å; V1430-I1434 WeakPolarHBondContact O-CB 3.24Å; V1430-I1434 WeakPolarHBondContact O-CD1 3.09Å; V1430-I1434 WeakPolarHBondContact O-CG1 3.45Å; V1430-I1434 PolarHBondContact O-N 2.77Å |
| 1431 | L | 50.2 | Low | 48.2 | Very low | 14 Ų | 14 | 83.3 Ų | 83.3 | 7% | 0.073 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -72 | -35.7 | 173.4 | -70.6 | 177.7 | 0 | 0 | 0 | 112.4 | I1428 D1433 I1434 A1435 Y1708 L1710 L1764 | I1428-L1431 HydrophobicContact CB-CB 4.03Å; I1428-L1431 HydrophobicContact CB-CD1 4.12Å; I1428-L1431 HydrophobicContact CB-CG 4.1Å; I1428-L1431 HydrophobicContact CD1-CD1 3.84Å; I1428-L1431 HydrophobicContact CG1-CD1 4.42Å; I1428-L1431 HydrophobicContact CG2-CB 4.35Å; I1428-L1431 HydrophobicContact CG2-CG 4.17Å; I1428-L1431 CarbonylContact O-C 3.59Å; I1428-L1431 VanDerWaalsContact O-CA 3.32Å; I1428-L1431 WeakPolarHBondContact O-CA 3.18Å; I1428-L1431 PolarHBondContact O-N 3Å; L1431-D1433 VanDerWaalsContact C-N 3.34Å; L1431-I1434 HydrophobicContact CD2-CD1 3.95Å; L1431-I1434 CarbonylContact O-C 3.56Å; L1431-I1434 WeakPolarHBondContact O-CA 3.29Å; L1431-I1434 WeakPolarHBondContact O-CB 3.26Å; L1431-I1434 PolarHBondContact O-N 3.46Å; L1431-A1435 VanDerWaalsContact O-CB 3.28Å; L1431-A1435 WeakPolarHBondContact O-CB 3.48Å; L1431-A1435 PolarHBondContact O-N 3.45Å; L1431-Y1708 HydrophobicContact CD1-CD1 4.16Å; L1431-Y1708 HydrophobicContact CD1-CD2 4.32Å; L1431-Y1708 HydrophobicContact CD1-CG 4.06Å; L1431-L1710 HydrophobicContact CD1-CD1 4.29Å; L1431-L1710 HydrophobicContact CD2-CD1 3.89Å; L1431-L1764 HydrophobicContact CD2-CD2 4.06Å; L1431-L1764 HydrophobicContact CG-CD2 4.43Å |
| 1432 | T | 48.7 | Very low | 46.5 | Very low | 31 Ų | 31 | 82.9 Ų | 82.9 | 19% | 0.19 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 175 | -38.1 | 0 | 0 | 0 | 0 | 109.8 | D1427 I1428 Q1429 I1434 A1435 C1436 | D1427-T1432 PolarHBondContact OD1-OG1 2.82Å; I1428-T1432 PolarHBondContact O-N 3.01Å; I1428-T1432 PolarHBondContact O-OG1 2.84Å; Q1429-T1432 PolarHBondContact O-N 3.09Å; T1432-I1434 VanDerWaalsContact C-N 3.28Å; T1432-I1434 PolarHBondContact O-N 3.33Å; T1432-A1435 PolarHBondContact O-N 2.98Å; T1432-A1435 VanDerWaalsContact O-N 3.15Å; T1432-C1436 WeakPolarHBondContact O-CB 3.28Å; T1432-C1436 PolarHBondContact O-N 2.78Å |
| 1433 | D | 52.4 | Low | 45.3 | Very low | 78 Ų | 78 | 85.3 Ų | 85.3 | 42% | 0.417 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.1 | -29.8 | 169.8 | -65.4 | -14.2 | 0 | 0 | 0 | 111.7 | Q1429 L1431 S1437 | Q1429-D1433 PolarHBondContact NE2-OD1 3.5Å; Q1429-D1433 WeakPolarHBondContact O-CB 3.37Å; Q1429-D1433 PolarHBondContact O-N 3.22Å; L1431-D1433 VanDerWaalsContact C-N 3.34Å; D1433-S1437 PolarHBondContact O-OG 2.87Å |
| 1434 | I | 48.4 | Very low | 43.7 | Very low | 8 Ų | 8 | 87.3 Ų | 87.3 | 4% | 0.041 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -75.7 | -28.9 | 172.6 | -73.1 | 159.3 | 0 | 0 | 0 | 112.2 | V1430 L1431 T1432 V1729 R1732 F1734 | V1430-I1434 HydrophobicContact CG1-CD1 3.94Å; V1430-I1434 WeakPolarHBondContact O-CB 3.24Å; V1430-I1434 WeakPolarHBondContact O-CD1 3.09Å; V1430-I1434 WeakPolarHBondContact O-CG1 3.45Å; V1430-I1434 PolarHBondContact O-N 2.77Å; L1431-I1434 HydrophobicContact CD2-CD1 3.95Å; L1431-I1434 CarbonylContact O-C 3.56Å; L1431-I1434 WeakPolarHBondContact O-CA 3.29Å; L1431-I1434 WeakPolarHBondContact O-CB 3.26Å; L1431-I1434 PolarHBondContact O-N 3.46Å; T1432-I1434 VanDerWaalsContact C-N 3.28Å; T1432-I1434 PolarHBondContact O-N 3.33Å; I1434-V1729 WeakPolarHBondContact CG2-O 3.35Å; I1434-R1732 HydrophobicContact CB-CB 4.43Å; I1434-R1732 HydrophobicContact CG1-CB 4.38Å; I1434-R1732 HydrophobicContact CG2-CB 3.88Å; I1434-F1734 HydrophobicContact CD1-CZ 4.11Å; I1434-F1734 HydrophobicContact CG1-CZ 4.27Å |
| 1435 | A | 45.9 | Very low | 42.7 | Very low | 35 Ų | 35 | 91.4 Ų | 91.4 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -96.3 | -33.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1431 T1432 | L1431-A1435 VanDerWaalsContact O-CB 3.28Å; L1431-A1435 WeakPolarHBondContact O-CB 3.48Å; L1431-A1435 PolarHBondContact O-N 3.45Å; T1432-A1435 PolarHBondContact O-N 2.98Å; T1432-A1435 VanDerWaalsContact O-N 3.15Å |
| 1436 | C | 43.2 | Very low | 41.3 | Very low | 98 Ų | 98 | 94.5 Ų | 94.5 | 66% | 0.662 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -100.3 | -6.4 | -172.2 | -76.4 | 0 | 0 | 0 | 0 | 115.3 | T1432 T1438 | T1432-C1436 WeakPolarHBondContact O-CB 3.28Å; T1432-C1436 PolarHBondContact O-N 2.78Å; C1436-T1438 PolarHBondContact O-N 3.38Å; C1436-T1438 VanDerWaalsContact O-N 3.14Å |
| 1437 | S | 37.2 | Very low | 40.1 | Very low | 63 Ų | 63 | 100.7 Ų | 100.7 | 44% | 0.441 | 57% | 0.565 | S | S | . | * | trans | -84.5 | 90.6 | 178.5 | 78.6 | 0 | 0 | 0 | 0 | 112 | D1433 | D1433-S1437 PolarHBondContact O-OG 2.87Š| ||
| 1438 | T | 37 | Very low | 39.4 | Very low | 126 Ų | 126 | 99.8 Ų | 99.8 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | trans | -86.3 | 13.1 | 161.7 | 39.4 | 0 | 0 | 0 | 0 | 113 | C1436 | C1436-T1438 PolarHBondContact O-N 3.38Å; C1436-T1438 VanDerWaalsContact O-N 3.14Å | ||
| 1439 | Q | 32.5 | Very low | 38.2 | Very low | 167 Ų | 167 | 107.9 Ų | 107.9 | 78% | 0.78 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -109.1 | 124.8 | 177.5 | -69.5 | -176.6 | -0.8 | 0 | 0 | 110.7 | ||
| 1440 | E | 32.4 | Very low | 37.1 | Very low | 182 Ų | 182 | 109.3 Ų | 109.3 | 85% | 0.85 | 61% | 0.612 | S | S | * | * | trans | -53.3 | 130.5 | 171.7 | -75.2 | 178.1 | 149 | 0 | 0 | 110 | C1442 | E1440-C1442 PolarHBondContact O-N 2.97Å; E1440-C1442 VanDerWaalsContact O-N 3.09Å | ||
| 1441 | P | 32.8 | Very low | 35.9 | Very low | 113 Ų | 113 | 115.5 Ų | 115.5 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | trans | -69.8 | 110.2 | -178.1 | 25.4 | -30.5 | 0 | 0 | 0 | 110.3 | L1443 | P1441-L1443 PolarHBondContact O-N 3.02Š| ||
| 1442 | C | 27.8 | Very low | 34.9 | Very low | 129 Ų | 129 | 119.8 Ų | 119.8 | 87% | 0.872 | 67% | 0.669 | S | S | * | * | trans | -61.4 | 98.2 | 162.2 | -69.4 | 0 | 0 | 0 | 0 | 108.7 | E1440 A1444 | E1440-C1442 PolarHBondContact O-N 2.97Å; E1440-C1442 VanDerWaalsContact O-N 3.09Å; C1442-A1444 PolarHBondContact O-N 2.96Å | ||
| 1443 | L | 31.7 | Very low | 34.2 | Very low | 161 Ų | 161 | 124.1 Ų | 124.1 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -65.3 | 94.2 | 170.8 | -71.3 | 168.5 | 0 | 0 | 0 | 109.1 | P1441 E1445 | P1441-L1443 PolarHBondContact O-N 3.02Å; L1443-E1445 PolarHBondContact O-N 3.34Å | ||
| 1444 | A | 27.7 | Very low | 33.2 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | -78.1 | 99.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108 | C1442 P1446 | C1442-A1444 PolarHBondContact O-N 2.96Å; A1444-P1446 WeakPolarHBondContact O-CD 3.16Å | ||
| 1445 | E | 31.1 | Very low | 32.3 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -62 | 122.2 | 175.8 | -64.8 | -178.6 | 162.9 | 0 | 0 | 110.6 | L1443 K1447 | L1443-E1445 PolarHBondContact O-N 3.34Å; E1445-K1447 PolarHBondContact O-N 2.81Å | ||
| 1446 | P | 29.4 | Very low | 31.6 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -70.6 | 113.3 | 167.1 | -4.8 | 20.9 | 0 | 0 | 0 | 107.8 | A1444 V1448 | A1444-P1446 WeakPolarHBondContact O-CD 3.16Å; P1446-V1448 VanDerWaalsContact C-N 3.27Å; P1446-V1448 PolarHBondContact O-N 2.91Å | ||
| 1447 | K | 28.2 | Very low | 30.8 | Very low | 202 Ų | 202 | 145 Ų | 145 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -64.5 | 85.3 | 170.7 | -71.9 | 178.1 | 178.2 | 174.9 | 0 | 109.6 | E1445 | E1445-K1447 PolarHBondContact O-N 2.81Š| ||
| 1448 | V | 31.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 67% | 0.667 | 80% | 0.798 | S | S | * | * | trans | -94.4 | 111.5 | 157.6 | -177.9 | 0 | 0 | 0 | 0 | 106.1 | P1446 L1450 | P1446-V1448 VanDerWaalsContact C-N 3.27Å; P1446-V1448 PolarHBondContact O-N 2.91Å; V1448-L1450 VanDerWaalsContact C-N 3.25Å; V1448-L1450 HydrophobicContact CG1-CD1 4.09Å; V1448-L1450 PolarHBondContact O-N 3.39Å | ||
| 1449 | E | 27.9 | Very low | 30.4 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -61.8 | 83.6 | 176 | -68.7 | -179.5 | 155.6 | 0 | 0 | 110 | Q1451 | E1449-Q1451 PolarHBondContact O-N 3.43Š| ||
| 1450 | L | 28.6 | Very low | 30.2 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -74.8 | 108.2 | 168.6 | -106.3 | 89.6 | 0 | 0 | 0 | 108.8 | V1448 S1452 | V1448-L1450 VanDerWaalsContact C-N 3.25Å; V1448-L1450 HydrophobicContact CG1-CD1 4.09Å; V1448-L1450 PolarHBondContact O-N 3.39Å; L1450-S1452 PolarHBondContact O-N 2.65Å | ||
| 1451 | Q | 30.2 | Very low | 30.2 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -50 | 125.1 | 167.3 | -70.7 | 176.7 | -7.8 | 0 | 0 | 110.2 | E1449 | E1449-Q1451 PolarHBondContact O-N 3.43Š|
| 1452 | S | 28.7 | Very low | 30.2 | Very low | 104 Ų | 104 | 155 Ų | 155 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.1 | -174.8 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | L1450 V1454 | L1450-S1452 PolarHBondContact O-N 2.65Å; S1452-V1454 PolarHBondContact O-N 3.01Å |
| 1453 | P | 33.4 | Very low | 30.5 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 124.1 | 174.8 | -1 | 13.6 | 0 | 0 | 0 | 110.1 | K1455 | P1453-K1455 PolarHBondContact O-N 3.48Š|
| 1454 | V | 31.4 | Very low | 30.9 | Very low | 135 Ų | 135 | 159.8 Ų | 159.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119.8 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | S1452 S1456 | S1452-V1454 PolarHBondContact O-N 3.01Å; V1454-S1456 PolarHBondContact O-N 3.19Å |
| 1455 | K | 29.5 | Very low | 31.8 | Very low | 204 Ų | 204 | 161 Ų | 161 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -62.3 | 91.7 | 174.9 | -69 | 173.7 | 177.7 | 171.2 | 0 | 110.7 | P1453 | P1453-K1455 PolarHBondContact O-N 3.48Š| ||
| 1456 | S | 30.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 157.4 Ų | 157.4 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -103.6 | 102.8 | 160.8 | 62.7 | 0 | 0 | 0 | 0 | 109.8 | V1454 S1458 | V1454-S1456 PolarHBondContact O-N 3.19Å; S1456-S1458 PolarHBondContact O-N 2.98Å; S1456-S1458 VanDerWaalsContact O-N 3.1Å | ||
| 1457 | K | 28.2 | Very low | 33.9 | Very low | 214 Ų | 214 | 154.5 Ų | 154.5 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | trans | -69.1 | 98.1 | 169.9 | -71.4 | 176.5 | 176.6 | 174.9 | 0 | 108.4 | ||||
| 1458 | S | 32.5 | Very low | 35.2 | Very low | 87 Ų | 87 | 152.2 Ų | 152.2 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -132 | 111.4 | 155.6 | 70.1 | 0 | 0 | 0 | 0 | 109.3 | S1456 Q1460 | S1456-S1458 PolarHBondContact O-N 2.98Å; S1456-S1458 VanDerWaalsContact O-N 3.1Å; S1458-Q1460 PolarHBondContact O-N 3.04Å | ||
| 1459 | K | 31.5 | Very low | 36.3 | Very low | 219 Ų | 219 | 153.7 Ų | 153.7 | 95% | 0.952 | 76% | 0.756 | S | S | * | * | trans | -71.2 | 70.7 | 171.9 | -73.2 | 179.3 | 174.3 | 179.6 | 0 | 108.4 | K1461 | K1459-K1461 PolarHBondContact O-N 3.28Š| ||
| 1460 | Q | 30.1 | Very low | 37.7 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | -78.3 | 108.7 | 165.9 | -82.6 | -174.6 | -16.7 | 0 | 0 | 107.8 | S1458 K1462 | S1458-Q1460 PolarHBondContact O-N 3.04Å; Q1460-K1462 PolarHBondContact O-N 3.46Å | ||
| 1461 | K | 30.9 | Very low | 39.3 | Very low | 204 Ų | 204 | 140 Ų | 140 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | trans | -46.7 | 103.2 | 163.6 | -75.5 | 175.4 | 172.2 | 178.5 | 0 | 107.2 | K1459 K1463 | K1459-K1461 PolarHBondContact O-N 3.28Å; K1461-K1463 VanDerWaalsContact C-N 3.35Å; K1461-K1463 PolarHBondContact O-N 3.5Å | ||
| 1462 | K | 33.6 | Very low | 40.9 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | trans | -59.4 | 102.4 | 170.8 | -79.4 | -175.7 | 175.6 | -177.1 | 0 | 106.1 | Q1460 F1464 | Q1460-K1462 PolarHBondContact O-N 3.46Å; K1462-F1464 PolarHBondContact O-N 3.43Å | ||
| 1463 | K | 33.9 | Very low | 42.8 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 85% | 0.852 | 68% | 0.682 | S | S | * | * | trans | -57.3 | 111.1 | 165.2 | -87.3 | -177.9 | 171.4 | -178.6 | 0 | 105.3 | K1461 M1465 | K1461-K1463 VanDerWaalsContact C-N 3.35Å; K1461-K1463 PolarHBondContact O-N 3.5Å; K1463-M1465 PolarHBondContact O-N 3.02Å | ||
| 1464 | F | 40.9 | Very low | 45 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 85% | 0.846 | 65% | 0.648 | S | S | * | * | trans | -57.3 | 110.9 | 162.7 | -105.8 | -98.1 | 0 | 0 | 0 | 105.9 | K1462 | K1462-F1464 PolarHBondContact O-N 3.43Š| ||
| 1465 | M | 45.1 | Very low | 47.5 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 58% | 0.581 | 62% | 0.621 | S | S | * | * | trans | -78.7 | 138.3 | 176.5 | -157.6 | 157.2 | 82.8 | 0 | 0 | 106.8 | K1463 L1467 I1470 | K1463-M1465 PolarHBondContact O-N 3.02Å; M1465-L1467 PolarHBondContact O-N 3.32Å; M1465-I1470 HydrophobicContact CB-CD1 3.99Å; M1465-I1470 HydrophobicContact CE-CD1 3.36Å; M1465-I1470 HydrophobicContact CE-CG1 3.71Å; M1465-I1470 HydrophobicContact CG-CD1 4.08Å | ||
| 1466 | D | 51 | Low | 50.3 | Low | 99 Ų | 99 | 122.1 Ų | 122.1 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | trans | -64.7 | 118.4 | -173.3 | -169.6 | 2.7 | 0 | 0 | 0 | 110.3 | K1468 Q1469 | D1466-K1468 VanDerWaalsContact C-N 3.27Å; D1466-K1468 PolarHBondContact O-N 3.12Å; D1466-Q1469 PolarHBondContact O-N 3.11Å; D1466-Q1469 VanDerWaalsContact O-N 3.12Å | ||
| 1467 | L | 54.4 | Low | 53 | Low | 56 Ų | 56 | 117.5 Ų | 117.5 | 29% | 0.293 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59 | -37.1 | -170.7 | -84.4 | 157.2 | 0 | 0 | 0 | 113.2 | M1465 Q1469 I1470 D1471 P1747 | M1465-L1467 PolarHBondContact O-N 3.32Å; L1467-Q1469 VanDerWaalsContact C-N 3.26Å; L1467-Q1469 PolarHBondContact O-N 3.28Å; L1467-I1470 PolarHBondContact O-N 2.99Å; L1467-D1471 PolarHBondContact O-N 3.23Å; L1467-P1747 HydrophobicContact CD1-CB 3.56Å; L1467-P1747 HydrophobicContact CD1-CG 3.67Å; L1467-P1747 HydrophobicContact CD2-CB 4.14Å; L1467-P1747 HydrophobicContact CD2-CG 3.24Å; L1467-P1747 HydrophobicContact CG-CB 4.43Å; L1467-P1747 HydrophobicContact CG-CG 4.01Å |
| 1468 | K | 56.2 | Low | 55.9 | Low | 154 Ų | 154 | 107.3 Ų | 107.3 | 67% | 0.67 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.6 | -40.3 | 177.6 | -72.6 | -172.8 | 172.8 | -172.5 | 0 | 112.1 | D1466 I1470 D1472 | D1466-K1468 VanDerWaalsContact C-N 3.27Å; D1466-K1468 PolarHBondContact O-N 3.12Å; K1468-I1470 PolarHBondContact O-N 2.89Å; K1468-D1472 WeakPolarHBondContact O-CB 3.43Å; K1468-D1472 PolarHBondContact O-N 3.47Å; K1468-D1472 VanDerWaalsContact O-OD2 3.07Å |
| 1469 | Q | 54.5 | Low | 58.7 | Low | 140 Ų | 140 | 103.3 Ų | 103.3 | 65% | 0.654 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.2 | -17.9 | -178.8 | -70 | -173.9 | -5.1 | 0 | 0 | 114 | D1466 L1467 | D1466-Q1469 PolarHBondContact O-N 3.11Å; D1466-Q1469 VanDerWaalsContact O-N 3.12Å; L1467-Q1469 VanDerWaalsContact C-N 3.26Å; L1467-Q1469 PolarHBondContact O-N 3.28Å |
| 1470 | I | 56.9 | Low | 61.5 | Low | 22 Ų | 22 | 92.9 Ų | 92.9 | 11% | 0.113 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -95.2 | -51 | -177.6 | -63 | 171.9 | 0 | 0 | 0 | 110.3 | M1465 L1467 K1468 D1472 K1473 I1474 F1496 | M1465-I1470 HydrophobicContact CB-CD1 3.99Å; M1465-I1470 HydrophobicContact CE-CD1 3.36Å; M1465-I1470 HydrophobicContact CE-CG1 3.71Å; M1465-I1470 HydrophobicContact CG-CD1 4.08Å; L1467-I1470 PolarHBondContact O-N 2.99Å; K1468-I1470 PolarHBondContact O-N 2.89Å; I1470-D1472 VanDerWaalsContact C-N 3.31Å; I1470-D1472 PolarHBondContact O-N 3.41Å; I1470-K1473 PolarHBondContact O-N 2.96Å; I1470-I1474 HydrophobicContact CG2-CD1 4.19Å; I1470-F1496 HydrophobicContact CB-CZ 4.41Å; I1470-F1496 HydrophobicContact CD1-CE1 4.2Å; I1470-F1496 HydrophobicContact CD1-CZ 4.07Å; I1470-F1496 HydrophobicContact CG1-CZ 4.45Å; I1470-F1496 HydrophobicContact CG2-CD2 4.2Å; I1470-F1496 HydrophobicContact CG2-CE1 3.95Å; I1470-F1496 HydrophobicContact CG2-CE2 3.3Å; I1470-F1496 HydrophobicContact CG2-CZ 3.17Å |
| 1471 | D | 62.6 | Low | 64.3 | Low | 29 Ų | 29 | 85.2 Ų | 85.2 | 16% | 0.155 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.6 | -32.6 | -176.9 | -71.2 | -32.6 | 0 | 0 | 0 | 112.2 | L1467 K1473 I1474 Y1498 H1748 | L1467-D1471 PolarHBondContact O-N 3.23Å; D1471-K1473 PolarHBondContact O-N 3.1Å; D1471-I1474 PolarHBondContact O-N 2.93Å; D1471-Y1498 PolarHBondContact OD1-OH 3.03Å; D1471-Y1498 VanDerWaalsContact OD1-OH 3.06Å; D1471-H1748 IonicContact OD1-NE2 2.69Å; D1471-H1748 PolarHBondContact OD1-NE2 3.24Å; D1471-H1748 IonicContact OD2-CE1 3.5Å; D1471-H1748 PolarHBondContact OD2-CE1 3.09Å; D1471-H1748 IonicContact OD2-NE2 3.3Å; D1471-H1748 PolarHBondContact OD2-NE2 3.47Å |
| 1472 | D | 63 | Low | 67 | Low | 141 Ų | 141 | 75.8 Ų | 75.8 | 75% | 0.754 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.9 | 176.6 | -70.5 | -7 | 0 | 0 | 0 | 112.8 | K1468 I1470 | K1468-D1472 WeakPolarHBondContact O-CB 3.43Å; K1468-D1472 PolarHBondContact O-N 3.47Å; K1468-D1472 VanDerWaalsContact O-OD2 3.07Å; I1470-D1472 VanDerWaalsContact C-N 3.31Å; I1470-D1472 PolarHBondContact O-N 3.41Å |
| 1473 | K | 68.9 | Low | 69.7 | Low | 157 Ų | 157 | 68.3 Ų | 68.3 | 68% | 0.683 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -7 | 175.3 | -61.6 | -171.2 | -179.1 | -176.7 | 0 | 113.9 | I1470 D1471 L1491 | I1470-K1473 PolarHBondContact O-N 2.96Å; D1471-K1473 PolarHBondContact O-N 3.1Å; K1473-L1491 WeakPolarHBondContact O-CD1 3.34Å |
| 1474 | I | 78.8 | Confident | 72.3 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | trans | -106 | 113.8 | -175 | -65.3 | 176.7 | 0 | 0 | 0 | 109.2 | I1470 D1471 Y1493 F1496 Y1498 P1688 | I1470-I1474 HydrophobicContact CG2-CD1 4.19Å; D1471-I1474 PolarHBondContact O-N 2.93Å; I1474-Y1493 HydrophobicContact CG2-CD2 3.51Å; I1474-Y1493 HydrophobicContact CG2-CE2 4.05Å; I1474-F1496 HydrophobicContact CD1-CD2 3.67Å; I1474-F1496 HydrophobicContact CD1-CE2 3.83Å; I1474-Y1498 HydrophobicContact CD1-CD2 4.34Å; I1474-Y1498 HydrophobicContact CD1-CE2 3.71Å; I1474-Y1498 HydrophobicContact CG2-CE2 4.48Å; I1474-P1688 HydrophobicContact CG2-CB 4.14Å; I1474-P1688 HydrophobicContact CG2-CG 4.04Å | ||
| 1475 | D | 84.3 | Confident | 74.2 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | trans | -106.3 | 173.8 | 179.3 | 62 | -1.8 | 0 | 0 | 0 | 112.6 | W1477 S1478 R1812 | D1475-W1477 VanDerWaalsContact C-N 3.28Å; D1475-W1477 PolarHBondContact O-N 3.37Å; D1475-S1478 VanDerWaalsContact O-CB 3.29Å; D1475-S1478 WeakPolarHBondContact O-CB 3.26Å; D1475-S1478 PolarHBondContact O-N 3.46Å; D1475-S1478 VanDerWaalsContact O-N 3.14Å; D1475-S1478 WeakPolarHBondContact OD1-CB 3.45Å; D1475-S1478 PolarHBondContact OD1-N 3.4Å; D1475-S1478 PolarHBondContact OD1-OG 3.38Å; D1475-R1812 IonicContact OD1-CZ 2.68Å; D1475-R1812 IonicContact OD1-NE 3.76Å; D1475-R1812 IonicContact OD1-NH2 2.78Å; D1475-R1812 PolarHBondContact OD1-NH2 3.1Å; D1475-R1812 VanDerWaalsContact OD2-CG 3.23Å; D1475-R1812 WeakPolarHBondContact OD2-CG 3.25Å; D1475-R1812 IonicContact OD2-CZ 2.65Å; D1475-R1812 IonicContact OD2-NE 3.26Å; D1475-R1812 PolarHBondContact OD2-NE 2.88Å; D1475-R1812 IonicContact OD2-NH2 3.33Å; D1475-R1812 PolarHBondContact OD2-NH2 3.01Å | ||
| 1476 | W | 88.7 | Confident | 76 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.2 | -34.4 | 177.3 | 178.1 | 88.5 | 0 | 0 | 0 | 112.6 | S1478 K1479 F1480 I1501 I1584 V1771 W1792 F1807 D1808 I1809 | W1476-S1478 PolarHBondContact O-N 3.3Å; W1476-K1479 WeakPolarHBondContact O-CA 3.13Å; W1476-K1479 VanDerWaalsContact O-CB 3.24Å; W1476-K1479 WeakPolarHBondContact O-CB 3.45Å; W1476-K1479 PolarHBondContact O-N 3.42Å; W1476-F1480 HydrophobicContact CE3-CB 4.35Å; W1476-F1480 HydrophobicContact CH2-CB 3.91Å; W1476-F1480 AromaticContact CH2-CD2 3.87Å; W1476-F1480 HydrophobicContact CH2-CD2 3.87Å; W1476-F1480 AromaticContact CH2-CG 3.99Å; W1476-F1480 HydrophobicContact CH2-CG 3.99Å; W1476-F1480 HydrophobicContact CZ2-CB 4.31Å; W1476-F1480 HydrophobicContact CZ2-CD2 4.37Å; W1476-F1480 HydrophobicContact CZ3-CB 3.95Å; W1476-F1480 HydrophobicContact CZ3-CG 4.23Å; W1476-F1480 PolarHBondContact O-N 2.94Å; W1476-I1501 HydrophobicContact CZ2-CD1 4.26Å; W1476-I1584 HydrophobicContact CH2-CD1 3.71Å; W1476-I1584 HydrophobicContact CH2-CG1 3.73Å; W1476-I1584 HydrophobicContact CH2-CG2 4.05Å; W1476-I1584 HydrophobicContact CZ2-CD1 4.33Å; W1476-I1584 HydrophobicContact CZ3-CG1 4.39Å; W1476-I1584 HydrophobicContact CZ3-CG2 4.09Å; W1476-V1771 HydrophobicContact CZ2-CG2 4.27Å; W1476-W1792 AromaticContact CE2-CH2 3.73Å; W1476-W1792 HydrophobicContact CH2-CH2 4.18Å; W1476-W1792 AromaticContact CH2-CZ3 3.86Å; W1476-W1792 HydrophobicContact CH2-CZ3 3.86Å; W1476-W1792 AromaticContact CZ2-CH2 3.45Å; W1476-W1792 HydrophobicContact CZ2-CH2 3.45Å; W1476-W1792 VanDerWaalsContact CZ2-CH2 3.45Å; W1476-W1792 AromaticContact CZ2-CZ3 3.4Å; W1476-W1792 HydrophobicContact CZ2-CZ3 3.4Å; W1476-W1792 VanDerWaalsContact CZ2-CZ3 3.4Å; W1476-W1792 AromaticContact NE1-CH2 3.92Å; W1476-F1807 AromaticContact CD1-CD1 3.83Å; W1476-F1807 AromaticContact CD1-CD2 3.89Å; W1476-F1807 AromaticContact CD1-CG 3.65Å; W1476-F1807 HydrophobicContact CG-CB 4.5Å; W1476-F1807 AromaticContact NE1-CD2 3.93Å; W1476-D1808 WeakPolarHBondContact CB-O 3.49Å; W1476-I1809 HydrophobicContact CB-CG2 4.29Å; W1476-I1809 HydrophobicContact CD2-CB 4.3Å; W1476-I1809 HydrophobicContact CD2-CG2 3.4Å; W1476-I1809 VanDerWaalsContact CD2-CG2 3.4Å; W1476-I1809 HydrophobicContact CE3-CB 3.96Å; W1476-I1809 HydrophobicContact CE3-CG2 3.56Å; W1476-I1809 HydrophobicContact CG-CG2 3.72Å; W1476-I1809 HydrophobicContact CH2-CG2 4.49Å; W1476-I1809 HydrophobicContact CZ2-CG2 4.36Å; W1476-I1809 HydrophobicContact CZ3-CB 4.35Å; W1476-I1809 HydrophobicContact CZ3-CG2 4.12Å |
| 1477 | W | 87.9 | Confident | 77.1 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -33.5 | 175.3 | -69.9 | 97.6 | 0 | 0 | 0 | 112.4 | D1475 K1479 F1480 Y1481 I1584 E1625 I1809 S1810 | D1475-W1477 VanDerWaalsContact C-N 3.28Å; D1475-W1477 PolarHBondContact O-N 3.37Å; W1477-K1479 VanDerWaalsContact C-N 3.26Å; W1477-K1479 PolarHBondContact O-N 3.17Å; W1477-F1480 HydrophobicContact CE3-CD1 4.11Å; W1477-F1480 HydrophobicContact CZ3-CD1 4.22Å; W1477-F1480 HydrophobicContact CZ3-CE1 4.48Å; W1477-F1480 PolarHBondContact O-N 3.04Å; W1477-Y1481 HydrophobicContact CB-CD2 4.2Å; W1477-Y1481 HydrophobicContact CB-CE2 3.98Å; W1477-Y1481 HydrophobicContact CE3-CE2 4Å; W1477-Y1481 AromaticContact CE3-CZ 3.92Å; W1477-Y1481 WeakPolarHBondContact O-CB 3.5Å; W1477-Y1481 WeakPolarHBondContact O-CD2 3.42Å; W1477-Y1481 PolarHBondContact O-N 3.47Å; W1477-I1584 HydrophobicContact CH2-CG2 3.62Å; W1477-I1584 HydrophobicContact CZ2-CG2 4.37Å; W1477-I1584 HydrophobicContact CZ3-CG2 3.98Å; W1477-E1625 HydrophobicContact CH2-CG 4.49Å; W1477-I1809 PolarHBondContact NE1-O 2.86Å; W1477-S1810 PolarHBondContact NE1-O 3.35Å |
| 1478 | S | 88 | Confident | 77.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -38.5 | 173.2 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | D1475 W1476 A1482 C1490 R1812 | D1475-S1478 VanDerWaalsContact O-CB 3.29Å; D1475-S1478 WeakPolarHBondContact O-CB 3.26Å; D1475-S1478 PolarHBondContact O-N 3.46Å; D1475-S1478 VanDerWaalsContact O-N 3.14Å; D1475-S1478 WeakPolarHBondContact OD1-CB 3.45Å; D1475-S1478 PolarHBondContact OD1-N 3.4Å; D1475-S1478 PolarHBondContact OD1-OG 3.38Å; W1476-S1478 PolarHBondContact O-N 3.3Å; S1478-A1482 VanDerWaalsContact O-CB 3.24Å; S1478-A1482 WeakPolarHBondContact O-CB 3.36Å; S1478-A1482 PolarHBondContact O-N 3.08Å; S1478-A1482 VanDerWaalsContact O-N 3.09Å; S1478-C1490 WeakPolarHBondContact O-CB 3.39Å; S1478-R1812 PolarHBondContact OG-NH2 3.07Å |
| 1479 | K | 90.8 | Very high | 79 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.1 | -45.6 | 174.1 | -175.6 | 176 | -162.6 | -176.6 | 0 | 111.6 | W1476 W1477 A1482 S1483 Y1493 D1499 I1501 N1689 E1769 | W1476-K1479 WeakPolarHBondContact O-CA 3.13Å; W1476-K1479 VanDerWaalsContact O-CB 3.24Å; W1476-K1479 WeakPolarHBondContact O-CB 3.45Å; W1476-K1479 PolarHBondContact O-N 3.42Å; W1477-K1479 VanDerWaalsContact C-N 3.26Å; W1477-K1479 PolarHBondContact O-N 3.17Å; K1479-A1482 PolarHBondContact O-N 3.02Å; K1479-S1483 WeakPolarHBondContact O-CB 3.47Å; K1479-S1483 PolarHBondContact O-N 3.3Å; K1479-S1483 VanDerWaalsContact O-N 3.1Å; K1479-S1483 PolarHBondContact O-OG 2.76Å; K1479-Y1493 HydrophobicContact CB-CE1 4.26Å; K1479-Y1493 HydrophobicContact CB-CE2 3.81Å; K1479-Y1493 WeakPolarHBondContact CD-OH 3.3Å; K1479-Y1493 HydrophobicContact CG-CE1 4.28Å; K1479-Y1493 HydrophobicContact CG-CE2 4.39Å; K1479-Y1493 VanDerWaalsContact CG-OH 3.29Å; K1479-Y1493 WeakPolarHBondContact CG-OH 3.33Å; K1479-D1499 WeakPolarHBondContact CE-O 3.35Å; K1479-I1501 HydrophobicContact CD-CG2 3.92Å; K1479-I1501 HydrophobicContact CG-CG2 4.13Å; K1479-N1689 WeakPolarHBondContact CD-OD1 3.42Å; K1479-N1689 WeakPolarHBondContact CE-OD1 3.43Å; K1479-N1689 PolarHBondContact NZ-OD1 3.23Å; K1479-E1769 IonicContact NZ-OE1 3.14Å; K1479-E1769 PolarHBondContact NZ-OE1 3.5Å; K1479-E1769 IonicContact NZ-OE2 2.74Å; K1479-E1769 PolarHBondContact NZ-OE2 2.93Å |
| 1480 | F | 91.4 | Very high | 80 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -51.7 | 178 | 179.8 | -106.4 | 0 | 0 | 0 | 111.8 | W1476 W1477 A1482 S1483 I1484 I1501 V1503 I1584 V1771 | W1476-F1480 HydrophobicContact CE3-CB 4.35Å; W1476-F1480 HydrophobicContact CH2-CB 3.91Å; W1476-F1480 AromaticContact CH2-CD2 3.87Å; W1476-F1480 HydrophobicContact CH2-CD2 3.87Å; W1476-F1480 AromaticContact CH2-CG 3.99Å; W1476-F1480 HydrophobicContact CH2-CG 3.99Å; W1476-F1480 HydrophobicContact CZ2-CB 4.31Å; W1476-F1480 HydrophobicContact CZ2-CD2 4.37Å; W1476-F1480 HydrophobicContact CZ3-CB 3.95Å; W1476-F1480 HydrophobicContact CZ3-CG 4.23Å; W1476-F1480 PolarHBondContact O-N 2.94Å; W1477-F1480 HydrophobicContact CE3-CD1 4.11Å; W1477-F1480 HydrophobicContact CZ3-CD1 4.22Å; W1477-F1480 HydrophobicContact CZ3-CE1 4.48Å; W1477-F1480 PolarHBondContact O-N 3.04Å; F1480-A1482 PolarHBondContact O-N 3.37Å; F1480-S1483 WeakPolarHBondContact O-CA 3.43Å; F1480-S1483 WeakPolarHBondContact O-CB 3.45Å; F1480-S1483 PolarHBondContact O-N 2.98Å; F1480-I1484 HydrophobicContact CD1-CD1 4.38Å; F1480-I1484 HydrophobicContact CE1-CD1 3.88Å; F1480-I1484 HydrophobicContact CE2-CG2 4.4Å; F1480-I1484 HydrophobicContact CZ-CD1 4.33Å; F1480-I1484 HydrophobicContact CZ-CG2 4.34Å; F1480-I1484 PolarHBondContact O-N 2.99Å; F1480-I1484 VanDerWaalsContact O-N 3.11Å; F1480-I1501 HydrophobicContact CD2-CD1 4.25Å; F1480-V1503 HydrophobicContact CE2-CG2 4.37Å; F1480-I1584 HydrophobicContact CE2-CD1 4.46Å; F1480-V1771 HydrophobicContact CD2-CG2 4.26Å; F1480-V1771 HydrophobicContact CE2-CG1 4.37Å; F1480-V1771 HydrophobicContact CE2-CG2 4.28Å |
| 1481 | Y | 89.1 | Confident | 81.1 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 179.1 | -68.9 | -53.5 | 0 | 0 | 0 | 113 | W1477 S1483 I1484 G1485 E1486 K1489 | W1477-Y1481 HydrophobicContact CB-CD2 4.2Å; W1477-Y1481 HydrophobicContact CB-CE2 3.98Å; W1477-Y1481 HydrophobicContact CE3-CE2 4Å; W1477-Y1481 AromaticContact CE3-CZ 3.92Å; W1477-Y1481 WeakPolarHBondContact O-CB 3.5Å; W1477-Y1481 WeakPolarHBondContact O-CD2 3.42Å; W1477-Y1481 PolarHBondContact O-N 3.47Å; Y1481-S1483 PolarHBondContact O-N 3.47Å; Y1481-I1484 HydrophobicContact CD1-CD1 4.05Å; Y1481-I1484 HydrophobicContact CD1-CG1 4.49Å; Y1481-I1484 PolarHBondContact O-N 2.89Å; Y1481-G1485 PolarHBondContact O-N 2.93Å; Y1481-E1486 HydrophobicContact CD1-CB 3.94Å; Y1481-E1486 HydrophobicContact CD1-CG 4.46Å; Y1481-E1486 HydrophobicContact CG-CB 4.37Å; Y1481-E1486 PolarHBondContact O-N 2.57Å; Y1481-K1489 HydrophobicContact CD1-CB 4.22Å; Y1481-K1489 HydrophobicContact CD1-CD 4.07Å; Y1481-K1489 HydrophobicContact CD2-CB 3.53Å; Y1481-K1489 HydrophobicContact CD2-CD 4.37Å; Y1481-K1489 HydrophobicContact CE1-CD 3.86Å; Y1481-K1489 HydrophobicContact CE2-CB 3.97Å; Y1481-K1489 HydrophobicContact CE2-CD 4.14Å; Y1481-K1489 HydrophobicContact CG-CB 3.68Å; Y1481-K1489 HydrophobicContact CG-CD 4.35Å |
| 1482 | A | 86.6 | Confident | 81.8 | Confident | 6 Ų | 6 | 51 Ų | 51 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -28.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1478 K1479 F1480 W1487 C1490 Y1493 | S1478-A1482 VanDerWaalsContact O-CB 3.24Å; S1478-A1482 WeakPolarHBondContact O-CB 3.36Å; S1478-A1482 PolarHBondContact O-N 3.08Å; S1478-A1482 VanDerWaalsContact O-N 3.09Å; K1479-A1482 PolarHBondContact O-N 3.02Å; F1480-A1482 PolarHBondContact O-N 3.37Å; A1482-W1487 HydrophobicContact CB-CZ3 4.31Å; A1482-W1487 WeakPolarHBondContact O-CH2 3.45Å; A1482-W1487 WeakPolarHBondContact O-CZ3 3.4Å; A1482-C1490 HydrophobicContact CB-CB 3.92Å; A1482-Y1493 HydrophobicContact CB-CD1 3.84Å; A1482-Y1493 HydrophobicContact CB-CE1 4.37Å |
| 1483 | S | 91.2 | Very high | 82.7 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -83.4 | -30.7 | -177.8 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | K1479 F1480 Y1481 T1500 I1501 | K1479-S1483 WeakPolarHBondContact O-CB 3.47Å; K1479-S1483 PolarHBondContact O-N 3.3Å; K1479-S1483 VanDerWaalsContact O-N 3.1Å; K1479-S1483 PolarHBondContact O-OG 2.76Å; F1480-S1483 WeakPolarHBondContact O-CA 3.43Å; F1480-S1483 WeakPolarHBondContact O-CB 3.45Å; F1480-S1483 PolarHBondContact O-N 2.98Å; Y1481-S1483 PolarHBondContact O-N 3.47Å; S1483-T1500 WeakPolarHBondContact OG-CA 3.41Å; S1483-T1500 WeakPolarHBondContact OG-CB 3.46Å; S1483-I1501 WeakPolarHBondContact CB-O 3.31Å; S1483-I1501 PolarHBondContact OG-N 3.15Å |
| 1484 | I | 88.1 | Confident | 82.9 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -91.1 | -3.5 | 173 | 63.9 | 171.6 | 0 | 0 | 0 | 113.7 | F1480 Y1481 E1486 V1503 | F1480-I1484 HydrophobicContact CD1-CD1 4.38Å; F1480-I1484 HydrophobicContact CE1-CD1 3.88Å; F1480-I1484 HydrophobicContact CE2-CG2 4.4Å; F1480-I1484 HydrophobicContact CZ-CD1 4.33Å; F1480-I1484 HydrophobicContact CZ-CG2 4.34Å; F1480-I1484 PolarHBondContact O-N 2.99Å; F1480-I1484 VanDerWaalsContact O-N 3.11Å; Y1481-I1484 HydrophobicContact CD1-CD1 4.05Å; Y1481-I1484 HydrophobicContact CD1-CG1 4.49Å; Y1481-I1484 PolarHBondContact O-N 2.89Å; I1484-E1486 HydrophobicContact CD1-CG 4.02Å; I1484-E1486 WeakPolarHBondContact CD1-OE1 3.21Å; I1484-E1486 HydrophobicContact CG1-CB 4.38Å; I1484-E1486 HydrophobicContact CG1-CG 4.11Å; I1484-V1503 HydrophobicContact CG2-CB 4.17Å; I1484-V1503 HydrophobicContact CG2-CG1 4.14Å; I1484-V1503 HydrophobicContact CG2-CG2 3.79Å |
| 1485 | G | 81.5 | Confident | 82.8 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 13.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1481 W1487 | Y1481-G1485 PolarHBondContact O-N 2.93Å; G1485-W1487 VanDerWaalsContact C-N 3.33Å; G1485-W1487 PolarHBondContact O-N 3.39Å; G1485-W1487 VanDerWaalsContact O-N 3.1Å; G1485-W1487 PolarHBondContact O-NE1 3.02Å |
| 1486 | E | 81.7 | Confident | 82.4 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | trans | -84.1 | 73.4 | 174.9 | -70.1 | -170 | -153.5 | 0 | 0 | 110.8 | Y1481 I1484 D1488 K1489 | Y1481-E1486 HydrophobicContact CD1-CB 3.94Å; Y1481-E1486 HydrophobicContact CD1-CG 4.46Å; Y1481-E1486 HydrophobicContact CG-CB 4.37Å; Y1481-E1486 PolarHBondContact O-N 2.57Å; I1484-E1486 HydrophobicContact CD1-CG 4.02Å; I1484-E1486 WeakPolarHBondContact CD1-OE1 3.21Å; I1484-E1486 HydrophobicContact CG1-CB 4.38Å; I1484-E1486 HydrophobicContact CG1-CG 4.11Å; E1486-D1488 VanDerWaalsContact C-N 3.27Å; E1486-D1488 PolarHBondContact O-N 3.29Å; E1486-K1489 PolarHBondContact O-N 3.24Å; E1486-K1489 VanDerWaalsContact O-N 3.16Å; E1486-K1489 VanDerWaalsContact OE2-CD 3.29Å; E1486-K1489 WeakPolarHBondContact OE2-CD 3.5Å; E1486-K1489 VanDerWaalsContact OE2-CE 3.25Å; E1486-K1489 WeakPolarHBondContact OE2-CE 3.37Å; E1486-K1489 IonicContact OE2-NZ 3.04Å; E1486-K1489 PolarHBondContact OE2-NZ 3.2Å | ||
| 1487 | W | 74.9 | Confident | 81.7 | Confident | 130 Ų | 130 | 49.1 Ų | 49.1 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.6 | -170.8 | -50.9 | 111.1 | 0 | 0 | 0 | 114.7 | A1482 G1485 K1489 C1490 K1494 | A1482-W1487 HydrophobicContact CB-CZ3 4.31Å; A1482-W1487 WeakPolarHBondContact O-CH2 3.45Å; A1482-W1487 WeakPolarHBondContact O-CZ3 3.4Å; G1485-W1487 VanDerWaalsContact C-N 3.33Å; G1485-W1487 PolarHBondContact O-N 3.39Å; G1485-W1487 VanDerWaalsContact O-N 3.1Å; G1485-W1487 PolarHBondContact O-NE1 3.02Å; W1487-K1489 PolarHBondContact O-N 3.48Å; W1487-C1490 PolarHBondContact O-SG 3.43Å; W1487-K1494 HydrophobicContact CD2-CD 4.43Å; W1487-K1494 HydrophobicContact CE3-CD 3.75Å; W1487-K1494 HydrophobicContact CZ3-CD 3.87Å; W1487-K1494 HydrophobicContact CZ3-CG 4.47Å |
| 1488 | D | 71.9 | Confident | 81.6 | Confident | 124 Ų | 124 | 49.6 Ų | 49.6 | 66% | 0.663 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.3 | 177.5 | 55.7 | -54 | 0 | 0 | 0 | 112.7 | E1486 | E1486-D1488 VanDerWaalsContact C-N 3.27Å; E1486-D1488 PolarHBondContact O-N 3.29Å |
| 1489 | K | 78.8 | Confident | 81.6 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 22% | 0.217 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -5.5 | -177.9 | -58.1 | -176.4 | -168.7 | 164.1 | 0 | 114.3 | Y1481 E1486 W1487 L1491 R1812 E1886 | Y1481-K1489 HydrophobicContact CD1-CB 4.22Å; Y1481-K1489 HydrophobicContact CD1-CD 4.07Å; Y1481-K1489 HydrophobicContact CD2-CB 3.53Å; Y1481-K1489 HydrophobicContact CD2-CD 4.37Å; Y1481-K1489 HydrophobicContact CE1-CD 3.86Å; Y1481-K1489 HydrophobicContact CE2-CB 3.97Å; Y1481-K1489 HydrophobicContact CE2-CD 4.14Å; Y1481-K1489 HydrophobicContact CG-CB 3.68Å; Y1481-K1489 HydrophobicContact CG-CD 4.35Å; E1486-K1489 PolarHBondContact O-N 3.24Å; E1486-K1489 VanDerWaalsContact O-N 3.16Å; E1486-K1489 VanDerWaalsContact OE2-CD 3.29Å; E1486-K1489 WeakPolarHBondContact OE2-CD 3.5Å; E1486-K1489 VanDerWaalsContact OE2-CE 3.25Å; E1486-K1489 WeakPolarHBondContact OE2-CE 3.37Å; E1486-K1489 IonicContact OE2-NZ 3.04Å; E1486-K1489 PolarHBondContact OE2-NZ 3.2Å; W1487-K1489 PolarHBondContact O-N 3.48Å; K1489-L1491 VanDerWaalsContact C-N 3.35Å; K1489-L1491 PolarHBondContact O-N 3.19Å; K1489-R1812 PolarHBondContact O-NH1 3Å; K1489-R1812 PolarHBondContact O-NH2 3.29Å; K1489-R1812 VanDerWaalsContact O-NH2 3.08Å; K1489-E1886 HydrophobicContact CD-CG 4.4Å; K1489-E1886 HydrophobicContact CG-CG 4.37Å |
| 1490 | C | 75.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -88.6 | 7.5 | -176 | 75.6 | 0 | 0 | 0 | 0 | 114.9 | S1478 A1482 W1487 K1492 Y1493 | S1478-C1490 WeakPolarHBondContact O-CB 3.39Å; A1482-C1490 HydrophobicContact CB-CB 3.92Å; W1487-C1490 PolarHBondContact O-SG 3.43Å; C1490-K1492 PolarHBondContact O-N 2.9Å; C1490-Y1493 WeakPolarHBondContact O-CB 3.44Å; C1490-Y1493 PolarHBondContact O-N 3.21Å; C1490-Y1493 VanDerWaalsContact O-N 3.1Å |
| 1491 | L | 79.6 | Confident | 81.6 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | -133.9 | -177.4 | -61.6 | 174.9 | 0 | 0 | 0 | 111.2 | K1473 K1489 A1885 | K1473-L1491 WeakPolarHBondContact O-CD1 3.34Å; K1489-L1491 VanDerWaalsContact C-N 3.35Å; K1489-L1491 PolarHBondContact O-N 3.19Å; L1491-A1885 HydrophobicContact CD1-CB 4.17Å; L1491-A1885 HydrophobicContact CD2-CB 3.62Å; L1491-A1885 HydrophobicContact CG-CB 4.03Å |
| 1492 | K | 77.1 | Confident | 81.7 | Confident | 114 Ų | 114 | 54.2 Ų | 54.2 | 50% | 0.496 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 10 | 177.8 | -65.1 | -169.5 | 176 | -165.9 | 0 | 113.8 | C1490 K1494 E1495 F1496 | C1490-K1492 PolarHBondContact O-N 2.9Å; K1492-K1494 VanDerWaalsContact C-N 3.26Å; K1492-K1494 PolarHBondContact O-N 3.29Å; K1492-E1495 WeakPolarHBondContact O-CB 3.26Å; K1492-E1495 PolarHBondContact O-N 3.33Å; K1492-F1496 HydrophobicContact CB-CD2 4.19Å; K1492-F1496 HydrophobicContact CB-CE2 3.62Å; K1492-F1496 HydrophobicContact CB-CZ 4.45Å; K1492-F1496 WeakPolarHBondContact O-CD2 3.31Å; K1492-F1496 PolarHBondContact O-N 2.83Å |
| 1493 | Y | 82.5 | Confident | 82 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -52.8 | -44.1 | -175 | -168.1 | -87.5 | 0 | 0 | 0 | 112.5 | I1474 K1479 A1482 C1490 E1495 F1496 Y1498 D1499 N1689 | I1474-Y1493 HydrophobicContact CG2-CD2 3.51Å; I1474-Y1493 HydrophobicContact CG2-CE2 4.05Å; K1479-Y1493 HydrophobicContact CB-CE1 4.26Å; K1479-Y1493 HydrophobicContact CB-CE2 3.81Å; K1479-Y1493 WeakPolarHBondContact CD-OH 3.3Å; K1479-Y1493 HydrophobicContact CG-CE1 4.28Å; K1479-Y1493 HydrophobicContact CG-CE2 4.39Å; K1479-Y1493 VanDerWaalsContact CG-OH 3.29Å; K1479-Y1493 WeakPolarHBondContact CG-OH 3.33Å; A1482-Y1493 HydrophobicContact CB-CD1 3.84Å; A1482-Y1493 HydrophobicContact CB-CE1 4.37Å; C1490-Y1493 WeakPolarHBondContact O-CB 3.44Å; C1490-Y1493 PolarHBondContact O-N 3.21Å; C1490-Y1493 VanDerWaalsContact O-N 3.1Å; Y1493-E1495 PolarHBondContact O-N 2.98Å; Y1493-F1496 PolarHBondContact O-N 3.18Å; Y1493-Y1498 AromaticContact CD2-CD2 3.75Å; Y1493-Y1498 HydrophobicContact CD2-CD2 3.75Å; Y1493-Y1498 HydrophobicContact CD2-CG 4.49Å; Y1493-Y1498 AromaticContact CE2-CD2 3.65Å; Y1493-Y1498 HydrophobicContact CE2-CD2 3.65Å; Y1493-Y1498 HydrophobicContact CE2-CG 4.19Å; Y1493-Y1498 HydrophobicContact CG-CD2 4.3Å; Y1493-D1499 WeakPolarHBondContact CE1-O 3.29Å; Y1493-D1499 PolarHBondContact OH-O 3.46Å; Y1493-N1689 PolarHBondContact OH-ND2 3.11Å; Y1493-N1689 PolarHBondContact OH-OD1 2.95Å; Y1493-N1689 VanDerWaalsContact OH-OD1 3.13Å |
| 1494 | K | 71.6 | Confident | 82.1 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 55% | 0.548 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -63.8 | -37.9 | 177.4 | -174.1 | 179.4 | -174.6 | 168.7 | 0 | 113.4 | W1487 K1492 F1496 G1497 | W1487-K1494 HydrophobicContact CD2-CD 4.43Å; W1487-K1494 HydrophobicContact CE3-CD 3.75Å; W1487-K1494 HydrophobicContact CZ3-CD 3.87Å; W1487-K1494 HydrophobicContact CZ3-CG 4.47Å; K1492-K1494 VanDerWaalsContact C-N 3.26Å; K1492-K1494 PolarHBondContact O-N 3.29Å; K1494-F1496 PolarHBondContact O-N 3.01Å; K1494-G1497 PolarHBondContact O-N 3.13Å; K1494-G1497 VanDerWaalsContact O-N 3.16Å |
| 1495 | E | 76.3 | Confident | 82.1 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 62% | 0.621 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -65.6 | -27.1 | -178.3 | -62.3 | -177.9 | 176.2 | 0 | 0 | 112.1 | K1492 Y1493 | K1492-E1495 WeakPolarHBondContact O-CB 3.26Å; K1492-E1495 PolarHBondContact O-N 3.33Å; Y1493-E1495 PolarHBondContact O-N 2.98Å |
| 1496 | F | 76.6 | Confident | 82.5 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 20% | 0.202 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -85.1 | -6.2 | 177.8 | -64.7 | -62.4 | 0 | 0 | 0 | 114.1 | I1470 I1474 K1492 Y1493 K1494 Y1498 | I1470-F1496 HydrophobicContact CB-CZ 4.41Å; I1470-F1496 HydrophobicContact CD1-CE1 4.2Å; I1470-F1496 HydrophobicContact CD1-CZ 4.07Å; I1470-F1496 HydrophobicContact CG1-CZ 4.45Å; I1470-F1496 HydrophobicContact CG2-CD2 4.2Å; I1470-F1496 HydrophobicContact CG2-CE1 3.95Å; I1470-F1496 HydrophobicContact CG2-CE2 3.3Å; I1470-F1496 HydrophobicContact CG2-CZ 3.17Å; I1474-F1496 HydrophobicContact CD1-CD2 3.67Å; I1474-F1496 HydrophobicContact CD1-CE2 3.83Å; K1492-F1496 HydrophobicContact CB-CD2 4.19Å; K1492-F1496 HydrophobicContact CB-CE2 3.62Å; K1492-F1496 HydrophobicContact CB-CZ 4.45Å; K1492-F1496 WeakPolarHBondContact O-CD2 3.31Å; K1492-F1496 PolarHBondContact O-N 2.83Å; Y1493-F1496 PolarHBondContact O-N 3.18Å; K1494-F1496 PolarHBondContact O-N 3.01Å; F1496-Y1498 VanDerWaalsContact C-N 3.27Å; F1496-Y1498 HydrophobicContact CB-CD1 3.78Å; F1496-Y1498 HydrophobicContact CB-CD2 4.15Å; F1496-Y1498 HydrophobicContact CB-CE1 3.65Å; F1496-Y1498 HydrophobicContact CB-CE2 4.05Å; F1496-Y1498 HydrophobicContact CB-CG 4.04Å; F1496-Y1498 HydrophobicContact CD2-CE2 4.39Å; F1496-Y1498 HydrophobicContact CG-CE1 4.49Å; F1496-Y1498 HydrophobicContact CG-CE2 4.44Å; F1496-Y1498 PolarHBondContact O-N 2.83Å |
| 1497 | G | 73.9 | Confident | 83 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 34% | 0.34 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 33.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | K1494 | K1494-G1497 PolarHBondContact O-N 3.13Å; K1494-G1497 VanDerWaalsContact O-N 3.16Å |
| 1498 | Y | 86.8 | Confident | 83.9 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 155.3 | 176.4 | -70.8 | -11 | 0 | 0 | 0 | 112.2 | D1471 I1474 Y1493 F1496 P1688 H1748 | D1471-Y1498 PolarHBondContact OD1-OH 3.03Å; D1471-Y1498 VanDerWaalsContact OD1-OH 3.06Å; I1474-Y1498 HydrophobicContact CD1-CD2 4.34Å; I1474-Y1498 HydrophobicContact CD1-CE2 3.71Å; I1474-Y1498 HydrophobicContact CG2-CE2 4.48Å; Y1493-Y1498 AromaticContact CD2-CD2 3.75Å; Y1493-Y1498 HydrophobicContact CD2-CD2 3.75Å; Y1493-Y1498 HydrophobicContact CD2-CG 4.49Å; Y1493-Y1498 AromaticContact CE2-CD2 3.65Å; Y1493-Y1498 HydrophobicContact CE2-CD2 3.65Å; Y1493-Y1498 HydrophobicContact CE2-CG 4.19Å; Y1493-Y1498 HydrophobicContact CG-CD2 4.3Å; F1496-Y1498 VanDerWaalsContact C-N 3.27Å; F1496-Y1498 HydrophobicContact CB-CD1 3.78Å; F1496-Y1498 HydrophobicContact CB-CD2 4.15Å; F1496-Y1498 HydrophobicContact CB-CE1 3.65Å; F1496-Y1498 HydrophobicContact CB-CE2 4.05Å; F1496-Y1498 HydrophobicContact CB-CG 4.04Å; F1496-Y1498 HydrophobicContact CD2-CE2 4.39Å; F1496-Y1498 HydrophobicContact CG-CE1 4.49Å; F1496-Y1498 HydrophobicContact CG-CE2 4.44Å; F1496-Y1498 PolarHBondContact O-N 2.83Å; Y1498-P1688 HydrophobicContact CD2-CG 3.94Å; Y1498-P1688 HydrophobicContact CE2-CG 3.63Å; Y1498-H1748 PolarHBondContact OH-CD2 2.91Å; Y1498-H1748 PolarHBondContact OH-NE2 3.29Å |
| 1499 | D | 87.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 147.2 | -171.9 | -63.6 | -4.3 | 0 | 0 | 0 | 113.6 | K1479 Y1493 Q1681 S1682 | K1479-D1499 WeakPolarHBondContact CE-O 3.35Å; Y1493-D1499 WeakPolarHBondContact CE1-O 3.29Å; Y1493-D1499 PolarHBondContact OH-O 3.46Å; D1499-Q1681 HydrophobicContact CB-CB 4.12Å; D1499-Q1681 HydrophobicContact CB-CG 4.42Å; D1499-Q1681 PolarHBondContact OD2-N 2.79Å; D1499-S1682 WeakPolarHBondContact OD1-CB 3.3Å; D1499-S1682 PolarHBondContact OD1-OG 2.82Å; D1499-S1682 WeakPolarHBondContact OD2-CA 3.45Å; D1499-S1682 WeakPolarHBondContact OD2-CB 2.96Å; D1499-S1682 PolarHBondContact OD2-N 3.33Å |
| 1500 | T | 89.6 | Confident | 85.3 | Confident | 53 Ų | 53 | 53 Ų | 53 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 159.2 | 168.1 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | S1483 Q1681 | S1483-T1500 WeakPolarHBondContact OG-CA 3.41Å; S1483-T1500 WeakPolarHBondContact OG-CB 3.46Å; T1500-Q1681 PolarHBondContact O-NE2 2.92Å; T1500-Q1681 VanDerWaalsContact O-NE2 3.1Å; T1500-Q1681 PolarHBondContact OG1-NE2 2.83Å |
| 1501 | I | 91.8 | Very high | 85.8 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.046 | 29% | 0.285 | C | S | . | . | trans | -105.8 | 155.5 | 176.2 | 68.1 | -169.4 | 0 | 0 | 0 | 111.4 | W1476 K1479 F1480 S1483 V1503 E1769 V1771 | W1476-I1501 HydrophobicContact CZ2-CD1 4.26Å; K1479-I1501 HydrophobicContact CD-CG2 3.92Å; K1479-I1501 HydrophobicContact CG-CG2 4.13Å; F1480-I1501 HydrophobicContact CD2-CD1 4.25Å; S1483-I1501 WeakPolarHBondContact CB-O 3.31Å; S1483-I1501 PolarHBondContact OG-N 3.15Å; I1501-V1503 HydrophobicContact CG1-CG2 4.12Å; I1501-E1769 HydrophobicContact CB-CG 4.39Å; I1501-E1769 HydrophobicContact CG2-CB 4.31Å; I1501-E1769 VanDerWaalsContact CG2-CD 3.47Å; I1501-E1769 HydrophobicContact CG2-CG 3.66Å; I1501-V1771 HydrophobicContact CD1-CG2 3.66Å | ||
| 1502 | C | 92.9 | Very high | 85.7 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.1 | 174.2 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | Y1504 E1769 H1770 V1771 | C1502-Y1504 HydrophobicContact CB-CE2 3.91Å; C1502-E1769 PolarHBondContact N-O 3.45Å; C1502-H1770 HydrophobicContact CB-CB 4.22Å; C1502-H1770 CarbonylContact O-C 3.59Å; C1502-H1770 WeakPolarHBondContact O-CA 3.42Å; C1502-H1770 VanDerWaalsContact O-CB 3.22Å; C1502-H1770 WeakPolarHBondContact O-CB 3.27Å; C1502-V1771 PolarHBondContact O-N 2.91Å |
| 1503 | V | 91.9 | Very high | 85.7 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 30% | 0.297 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 106.1 | 177.4 | -175 | 0 | 0 | 0 | 0 | 109.4 | F1480 I1484 I1501 V1771 | F1480-V1503 HydrophobicContact CE2-CG2 4.37Å; I1484-V1503 HydrophobicContact CG2-CB 4.17Å; I1484-V1503 HydrophobicContact CG2-CG1 4.14Å; I1484-V1503 HydrophobicContact CG2-CG2 3.79Å; I1501-V1503 HydrophobicContact CG1-CG2 4.12Å; V1503-V1771 CarbonylContact C-O 3.47Å; V1503-V1771 WeakPolarHBondContact CA-O 3.41Å; V1503-V1771 HydrophobicContact CG1-CB 4.4Å; V1503-V1771 HydrophobicContact CG2-CB 4.39Å |
| 1504 | Y | 92.6 | Very high | 85.8 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 19% | 0.192 | 31% | 0.313 | C | S | . | . | trans | -87.9 | 134.3 | 178.5 | -60.6 | -76.9 | 0 | 0 | 0 | 110.6 | C1502 H1506 L1508 V1511 H1770 V1771 T1773 | C1502-Y1504 HydrophobicContact CB-CE2 3.91Å; Y1504-H1506 PolarHBondContact O-N 3.37Å; Y1504-L1508 HydrophobicContact CD2-CD1 3.65Å; Y1504-L1508 HydrophobicContact CE2-CD1 3.51Å; Y1504-V1511 HydrophobicContact CD1-CG1 4.4Å; Y1504-V1511 HydrophobicContact CD1-CG2 3.56Å; Y1504-V1511 HydrophobicContact CE1-CG1 3.89Å; Y1504-V1511 HydrophobicContact CE1-CG2 3.76Å; Y1504-V1511 HydrophobicContact CG-CG2 4.03Å; Y1504-H1770 HydrophobicContact CD2-CB 3.87Å; Y1504-H1770 HydrophobicContact CE2-CB 3.59Å; Y1504-V1771 PolarHBondContact N-O 2.85Å; Y1504-T1773 WeakPolarHBondContact O-CB 3.44Å; Y1504-T1773 PolarHBondContact O-N 2.9Å; Y1504-T1773 VanDerWaalsContact O-N 3.11Å; Y1504-T1773 PolarHBondContact O-OG1 2.97Å | ||
| 1505 | S | 88.1 | Confident | 86.1 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -82 | 0.9 | 177.3 | 61 | 0 | 0 | 0 | 0 | 114 | ||
| 1506 | H | 90.2 | Very high | 86.4 | Confident | 118 Ų | 118 | 51.6 Ų | 51.6 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -139 | 167.5 | -177 | -50.1 | 104.5 | 0 | 0 | 0 | 109.5 | Y1504 T1773 | Y1504-H1506 PolarHBondContact O-N 3.37Å; H1506-T1773 CarbonylContact C-O 3.05Å; H1506-T1773 VanDerWaalsContact CA-O 3.26Å; H1506-T1773 WeakPolarHBondContact CA-O 3.23Å |
| 1507 | P | 93.4 | Very high | 86.9 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | trans | -48.6 | 142.1 | 168.2 | -32.2 | 40.1 | 0 | 0 | 0 | 112.9 | E1509 D1510 T1773 R1774 | P1507-E1509 VanDerWaalsContact C-N 3.26Å; P1507-E1509 HydrophobicContact CB-CG 4.1Å; P1507-E1509 PolarHBondContact O-N 3.17Å; P1507-D1510 PolarHBondContact O-N 2.88Å; P1507-D1510 VanDerWaalsContact O-N 3.09Å; P1507-T1773 WeakPolarHBondContact CD-O 3.29Å; P1507-R1774 HydrophobicContact CG-CG 4.5Å | ||
| 1508 | L | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -62 | -34.7 | -176.5 | -168.3 | 74.6 | 0 | 0 | 0 | 112.7 | Y1504 D1510 V1511 F1514 F1517 A1675 V1767 E1772 | Y1504-L1508 HydrophobicContact CD2-CD1 3.65Å; Y1504-L1508 HydrophobicContact CE2-CD1 3.51Å; L1508-D1510 PolarHBondContact O-N 2.93Å; L1508-V1511 WeakPolarHBondContact O-CB 3.34Å; L1508-V1511 WeakPolarHBondContact O-CG2 3.32Å; L1508-V1511 PolarHBondContact O-N 3.48Å; L1508-F1514 HydrophobicContact CD1-CE2 4.21Å; L1508-F1514 HydrophobicContact CG-CE2 4.47Å; L1508-F1517 HydrophobicContact CB-CE2 4.1Å; L1508-F1517 HydrophobicContact CB-CZ 4.37Å; L1508-F1517 HydrophobicContact CD2-CE2 3.82Å; L1508-F1517 HydrophobicContact CD2-CZ 3.64Å; L1508-F1517 HydrophobicContact CG-CE2 3.89Å; L1508-F1517 HydrophobicContact CG-CZ 3.67Å; L1508-A1675 HydrophobicContact CD2-CB 4.24Å; L1508-V1767 HydrophobicContact CD1-CG1 4.47Å; L1508-V1767 HydrophobicContact CD2-CG1 3.91Å; L1508-V1767 HydrophobicContact CD2-CG2 4.19Å; L1508-E1772 HydrophobicContact CB-CB 4.42Å; L1508-E1772 VanDerWaalsContact CB-OE2 3.23Å; L1508-E1772 WeakPolarHBondContact CB-OE2 3.41Å; L1508-E1772 PolarHBondContact N-OE2 3.16Å |
| 1509 | E | 90 | Very high | 86.5 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -63.3 | -22.9 | 176.7 | 54.3 | -92.7 | -151.7 | 0 | 0 | 114.2 | P1507 G1516 F1517 R1668 R1774 | P1507-E1509 VanDerWaalsContact C-N 3.26Å; P1507-E1509 HydrophobicContact CB-CG 4.1Å; P1507-E1509 PolarHBondContact O-N 3.17Å; E1509-G1516 VanDerWaalsContact O-CA 3.25Å; E1509-G1516 WeakPolarHBondContact O-CA 3.32Å; E1509-G1516 PolarHBondContact O-N 3.41Å; E1509-F1517 HydrophobicContact CB-CD2 3.75Å; E1509-F1517 HydrophobicContact CB-CE2 4.02Å; E1509-R1668 IonicContact OE2-CZ 2.82Å; E1509-R1668 IonicContact OE2-NE 2.82Å; E1509-R1668 IonicContact OE2-NH2 2.81Å; E1509-R1668 PolarHBondContact OE2-NH2 2.93Å; E1509-R1774 VanDerWaalsContact CD-NH1 3.32Å; E1509-R1774 IonicContact OE1-CZ 3.77Å; E1509-R1774 VanDerWaalsContact OE1-CZ 3.23Å; E1509-R1774 IonicContact OE1-NH1 2.75Å; E1509-R1774 PolarHBondContact OE1-NH1 2.85Å; E1509-R1774 IonicContact OE1-NH2 3.91Å; E1509-R1774 PolarHBondContact OE1-NH2 3.1Å; E1509-R1774 IonicContact OE2-NH1 3.15Å; E1509-R1774 PolarHBondContact OE2-NH1 2.98Å; E1509-R1774 VanDerWaalsContact OE2-NH1 3.16Å |
| 1510 | D | 89.8 | Confident | 86.2 | Confident | 112 Ų | 112 | 52.2 Ų | 52.2 | 60% | 0.599 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -89.9 | -1.5 | -178.8 | -63.2 | -25.2 | 0 | 0 | 0 | 112.8 | P1507 L1508 E1512 | P1507-D1510 PolarHBondContact O-N 2.88Å; P1507-D1510 VanDerWaalsContact O-N 3.09Å; L1508-D1510 PolarHBondContact O-N 2.93Å; D1510-E1512 PolarHBondContact O-N 3.3Å |
| 1511 | V | 86.6 | Confident | 86 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -69.3 | 127.4 | 178.4 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | Y1504 L1508 G1513 F1514 | Y1504-V1511 HydrophobicContact CD1-CG1 4.4Å; Y1504-V1511 HydrophobicContact CD1-CG2 3.56Å; Y1504-V1511 HydrophobicContact CE1-CG1 3.89Å; Y1504-V1511 HydrophobicContact CE1-CG2 3.76Å; Y1504-V1511 HydrophobicContact CG-CG2 4.03Å; L1508-V1511 WeakPolarHBondContact O-CB 3.34Å; L1508-V1511 WeakPolarHBondContact O-CG2 3.32Å; L1508-V1511 PolarHBondContact O-N 3.48Å; V1511-G1513 PolarHBondContact O-N 2.85Å; V1511-F1514 HydrophobicContact CB-CD2 3.67Å; V1511-F1514 HydrophobicContact CB-CE2 4.03Å; V1511-F1514 HydrophobicContact CB-CG 4.47Å; V1511-F1514 HydrophobicContact CG1-CD2 4Å; V1511-F1514 HydrophobicContact CG1-CE2 3.97Å; V1511-F1514 HydrophobicContact CG2-CD2 4.44Å; V1511-F1514 PolarHBondContact O-N 3.05Å |
| 1512 | E | 78.1 | Confident | 85.8 | Confident | 193 Ų | 193 | 51.6 Ų | 51.6 | 90% | 0.902 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 130.3 | 177.2 | -73.7 | -174.6 | 170.5 | 0 | 0 | 111.7 | D1510 | D1510-E1512 PolarHBondContact O-N 3.3Š|
| 1513 | G | 76.8 | Confident | 85.6 | Confident | 47 Ų | 47 | 52 Ų | 52 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -16.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1511 Y1673 | V1511-G1513 PolarHBondContact O-N 2.85Å; G1513-Y1673 WeakPolarHBondContact O-CE1 3.39Å; G1513-Y1673 PolarHBondContact O-OH 3.44Å |
| 1514 | F | 84.8 | Confident | 85.6 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -91.8 | -8.6 | 177.3 | -67.4 | -19.8 | 0 | 0 | 0 | 115 | L1508 V1511 G1516 F1517 Y1673 V1767 | L1508-F1514 HydrophobicContact CD1-CE2 4.21Å; L1508-F1514 HydrophobicContact CG-CE2 4.47Å; V1511-F1514 HydrophobicContact CB-CD2 3.67Å; V1511-F1514 HydrophobicContact CB-CE2 4.03Å; V1511-F1514 HydrophobicContact CB-CG 4.47Å; V1511-F1514 HydrophobicContact CG1-CD2 4Å; V1511-F1514 HydrophobicContact CG1-CE2 3.97Å; V1511-F1514 HydrophobicContact CG2-CD2 4.44Å; V1511-F1514 PolarHBondContact O-N 3.05Å; F1514-G1516 VanDerWaalsContact C-N 3.29Å; F1514-G1516 PolarHBondContact O-N 3.34Å; F1514-F1517 HydrophobicContact CB-CD1 4.05Å; F1514-F1517 HydrophobicContact CB-CE1 3.57Å; F1514-F1517 HydrophobicContact CB-CZ 4.15Å; F1514-F1517 HydrophobicContact CD1-CE1 4.38Å; F1514-F1517 AromaticContact CD2-CE1 3.74Å; F1514-F1517 HydrophobicContact CD2-CE1 3.74Å; F1514-F1517 AromaticContact CD2-CZ 3.71Å; F1514-F1517 HydrophobicContact CD2-CZ 3.71Å; F1514-F1517 HydrophobicContact CE2-CZ 4.42Å; F1514-F1517 AromaticContact CG-CE1 3.66Å; F1514-F1517 HydrophobicContact CG-CE1 3.66Å; F1514-F1517 HydrophobicContact CG-CZ 4.11Å; F1514-F1517 PolarHBondContact O-N 3.39Å; F1514-Y1673 VanDerWaalsContact C-CE2 3.5Å; F1514-Y1673 HydrophobicContact CB-CD2 4.24Å; F1514-Y1673 HydrophobicContact CB-CE2 4.46Å; F1514-Y1673 AromaticContact CD1-CD1 3.95Å; F1514-Y1673 HydrophobicContact CD1-CD1 3.95Å; F1514-Y1673 HydrophobicContact CD1-CD2 4.14Å; F1514-Y1673 HydrophobicContact CD1-CE1 4.37Å; F1514-Y1673 AromaticContact CD1-CG 3.78Å; F1514-Y1673 HydrophobicContact CD1-CG 3.78Å; F1514-Y1673 HydrophobicContact CE1-CD1 4.4Å; F1514-Y1673 HydrophobicContact CE1-CG 4.39Å; F1514-Y1673 WeakPolarHBondContact O-CD2 3.33Å; F1514-Y1673 WeakPolarHBondContact O-CE2 3.47Å; F1514-V1767 HydrophobicContact CD2-CG2 4.43Å; F1514-V1767 HydrophobicContact CE1-CG2 4.31Å; F1514-V1767 HydrophobicContact CE2-CG2 3.86Å; F1514-V1767 HydrophobicContact CZ-CG2 3.8Å |
| 1515 | N | 77.2 | Confident | 85.5 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | 50.5 | 42.6 | 171.2 | -58.9 | -22.3 | 0 | 0 | 0 | 114 | F1517 T1518 Y1673 | N1515-F1517 PolarHBondContact O-N 3.46Å; N1515-T1518 PolarHBondContact O-N 3.32Å; N1515-T1518 PolarHBondContact O-OG1 2.76Å; N1515-T1518 VanDerWaalsContact O-OG1 3.12Å; N1515-Y1673 PolarHBondContact ND2-OH 3.23Å |
| 1516 | G | 83.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | 64.8 | 10.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1509 F1514 T1518 | E1509-G1516 VanDerWaalsContact O-CA 3.25Å; E1509-G1516 WeakPolarHBondContact O-CA 3.32Å; E1509-G1516 PolarHBondContact O-N 3.41Å; F1514-G1516 VanDerWaalsContact C-N 3.29Å; F1514-G1516 PolarHBondContact O-N 3.34Å; G1516-T1518 PolarHBondContact O-N 3.36Å |
| 1517 | F | 87.4 | Confident | 85.2 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.022 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | 56.9 | 22.8 | -169.4 | -58.1 | -46.7 | 0 | 0 | 0 | 114.6 | L1508 E1509 F1514 N1515 N1667 R1668 T1671 Y1673 A1675 V1767 | L1508-F1517 HydrophobicContact CB-CE2 4.1Å; L1508-F1517 HydrophobicContact CB-CZ 4.37Å; L1508-F1517 HydrophobicContact CD2-CE2 3.82Å; L1508-F1517 HydrophobicContact CD2-CZ 3.64Å; L1508-F1517 HydrophobicContact CG-CE2 3.89Å; L1508-F1517 HydrophobicContact CG-CZ 3.67Å; E1509-F1517 HydrophobicContact CB-CD2 3.75Å; E1509-F1517 HydrophobicContact CB-CE2 4.02Å; F1514-F1517 HydrophobicContact CB-CD1 4.05Å; F1514-F1517 HydrophobicContact CB-CE1 3.57Å; F1514-F1517 HydrophobicContact CB-CZ 4.15Å; F1514-F1517 HydrophobicContact CD1-CE1 4.38Å; F1514-F1517 AromaticContact CD2-CE1 3.74Å; F1514-F1517 HydrophobicContact CD2-CE1 3.74Å; F1514-F1517 AromaticContact CD2-CZ 3.71Å; F1514-F1517 HydrophobicContact CD2-CZ 3.71Å; F1514-F1517 HydrophobicContact CE2-CZ 4.42Å; F1514-F1517 AromaticContact CG-CE1 3.66Å; F1514-F1517 HydrophobicContact CG-CE1 3.66Å; F1514-F1517 HydrophobicContact CG-CZ 4.11Å; F1514-F1517 PolarHBondContact O-N 3.39Å; N1515-F1517 PolarHBondContact O-N 3.46Å; F1517-N1667 HydrophobicContact CB-CB 4.08Å; F1517-R1668 HydrophobicContact CD2-CG 4.11Å; F1517-R1668 HydrophobicContact CE2-CG 4.39Å; F1517-T1671 HydrophobicContact CB-CG2 4.24Å; F1517-T1671 HydrophobicContact CD1-CG2 3.65Å; F1517-T1671 WeakPolarHBondContact CD1-OG1 3.44Å; F1517-T1671 HydrophobicContact CE1-CG2 4.23Å; F1517-T1671 HydrophobicContact CG-CG2 4.08Å; F1517-Y1673 HydrophobicContact CD1-CD2 4.02Å; F1517-Y1673 HydrophobicContact CE1-CD2 4.29Å; F1517-A1675 HydrophobicContact CD1-CB 4.36Å; F1517-A1675 HydrophobicContact CD2-CB 4.45Å; F1517-A1675 HydrophobicContact CE1-CB 3.92Å; F1517-A1675 HydrophobicContact CE2-CB 4.02Å; F1517-A1675 HydrophobicContact CZ-CB 3.72Å; F1517-V1767 HydrophobicContact CE1-CG2 4.11Å; F1517-V1767 HydrophobicContact CZ-CG2 4.09Å |
| 1518 | T | 78.9 | Confident | 84.4 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 27% | 0.27 | 27% | 0.268 | S | S | . | . | trans | -97.7 | 23.7 | 176.7 | 58.7 | 0 | 0 | 0 | 0 | 113 | N1515 G1516 C1521 | N1515-T1518 PolarHBondContact O-N 3.32Å; N1515-T1518 PolarHBondContact O-OG1 2.76Å; N1515-T1518 VanDerWaalsContact O-OG1 3.12Å; G1516-T1518 PolarHBondContact O-N 3.36Å; T1518-C1521 CarbonylContact C-O 3.56Å; T1518-C1521 WeakPolarHBondContact CA-O 3.48Å; T1518-C1521 CarbonylContact O-C 3.53Å; T1518-C1521 VanDerWaalsContact O-O 3.05Å | ||
| 1519 | D | 73.2 | Confident | 83 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -73.5 | -30.8 | -175.1 | 60 | -72.3 | 0 | 0 | 0 | 113.8 | T1671 K1672 Y1673 | D1519-T1671 WeakPolarHBondContact OD1-CA 3.44Å; D1519-T1671 VanDerWaalsContact OD1-CB 3.26Å; D1519-T1671 WeakPolarHBondContact OD1-CB 3.17Å; D1519-T1671 PolarHBondContact OD1-OG1 3.45Å; D1519-K1672 HydrophobicContact CB-CD 4.08Å; D1519-K1672 WeakPolarHBondContact OD2-CB 3.38Å; D1519-K1672 WeakPolarHBondContact OD2-CD 3.44Å; D1519-K1672 WeakPolarHBondContact OD2-CG 3.08Å; D1519-K1672 PolarHBondContact OD2-N 2.86Å; D1519-Y1673 HydrophobicContact CB-CE2 4.13Å |
| 1520 | F | 80.4 | Confident | 81.5 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -75.2 | -47 | 175.4 | 171.2 | -101.3 | 0 | 0 | 0 | 111.8 | L1322 W1324 T1546 V1570 L1670 | L1322-F1520 HydrophobicContact CD2-CE1 4.32Å; L1322-F1520 HydrophobicContact CD2-CE2 4.34Å; L1322-F1520 HydrophobicContact CD2-CZ 4.01Å; W1324-F1520 HydrophobicContact CD2-CE1 4.01Å; W1324-F1520 HydrophobicContact CD2-CZ 4.42Å; W1324-F1520 AromaticContact CE2-CE1 3.97Å; W1324-F1520 HydrophobicContact CE3-CE1 4.17Å; W1324-F1520 HydrophobicContact CE3-CZ 4.12Å; W1324-F1520 HydrophobicContact CH2-CE1 4.25Å; W1324-F1520 AromaticContact CH2-CZ 3.99Å; W1324-F1520 HydrophobicContact CH2-CZ 3.99Å; W1324-F1520 HydrophobicContact CZ2-CE1 4.11Å; W1324-F1520 HydrophobicContact CZ2-CZ 4.3Å; W1324-F1520 HydrophobicContact CZ3-CE1 4.29Å; W1324-F1520 AromaticContact CZ3-CZ 3.9Å; W1324-F1520 HydrophobicContact CZ3-CZ 3.9Å; F1520-T1546 WeakPolarHBondContact O-CG2 3.46Å; F1520-V1570 HydrophobicContact CD2-CG2 4.23Å; F1520-V1570 HydrophobicContact CE2-CB 3.99Å; F1520-V1570 HydrophobicContact CE2-CG2 3.71Å; F1520-V1570 HydrophobicContact CZ-CB 4.02Å; F1520-V1570 HydrophobicContact CZ-CG1 4.24Å; F1520-V1570 HydrophobicContact CZ-CG2 4.19Å; F1520-L1670 HydrophobicContact CD1-CB 4.15Å; F1520-L1670 HydrophobicContact CD1-CD1 4.02Å; F1520-L1670 HydrophobicContact CE1-CD1 4.02Å; F1520-L1670 HydrophobicContact CG-CB 4.41Å |
| 1521 | C | 85 | Confident | 79.8 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | trans | -148.6 | 150 | 175.3 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | T1518 | T1518-C1521 CarbonylContact C-O 3.56Å; T1518-C1521 WeakPolarHBondContact CA-O 3.48Å; T1518-C1521 CarbonylContact O-C 3.53Å; T1518-C1521 VanDerWaalsContact O-O 3.05Å | ||
| 1522 | N | 87.8 | Confident | 78.1 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 156.8 | 174.2 | -57.9 | 86.4 | 0 | 0 | 0 | 110.2 | F1413 F1524 K1544 G1545 T1546 | F1413-N1522 WeakPolarHBondContact CE1-OD1 3.39Å; N1522-F1524 HydrophobicContact CB-CE1 4.43Å; N1522-F1524 HydrophobicContact CB-CE2 3.78Å; N1522-F1524 HydrophobicContact CB-CZ 3.72Å; N1522-K1544 WeakPolarHBondContact O-CA 3.18Å; N1522-G1545 CarbonylContact C-O 3.56Å; N1522-G1545 WeakPolarHBondContact CA-O 3.19Å; N1522-G1545 WeakPolarHBondContact CB-O 3.37Å; N1522-G1545 PolarHBondContact N-O 3.14Å; N1522-G1545 PolarHBondContact O-N 3.35Å; N1522-T1546 WeakPolarHBondContact OD1-CB 3.3Å; N1522-T1546 PolarHBondContact OD1-OG1 3.47Å |
| 1523 | T | 88.9 | Confident | 76.8 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121.6 | 172.2 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | E1542 K1544 | T1523-E1542 HydrophobicContact CG2-CB 3.94Å; T1523-E1542 HydrophobicContact CG2-CG 3.76Å; T1523-K1544 HydrophobicContact CG2-CG 4.3Å; T1523-K1544 WeakPolarHBondContact OG1-CE 3.49Å |
| 1524 | F | 91.4 | Very high | 75.7 | Confident | 15 Ų | 15 | 52 Ų | 52 | 7% | 0.066 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.2 | 179.2 | -59.2 | -81.2 | 0 | 0 | 0 | 109.3 | I1388 H1405 L1407 F1413 N1522 L1526 E1542 F1543 G1545 F1547 | I1388-F1524 HydrophobicContact CD1-CD2 4.36Å; I1388-F1524 HydrophobicContact CD1-CG 4.31Å; H1405-F1524 AromaticContact CD2-CD1 3.86Å; H1405-F1524 AromaticContact NE2-CD1 3.56Å; L1407-F1524 HydrophobicContact CD1-CE1 3.99Å; F1413-F1524 HydrophobicContact CE1-CZ 4.45Å; F1413-F1524 HydrophobicContact CZ-CE1 4.26Å; F1413-F1524 AromaticContact CZ-CZ 3.88Å; F1413-F1524 HydrophobicContact CZ-CZ 3.88Å; N1522-F1524 HydrophobicContact CB-CE1 4.43Å; N1522-F1524 HydrophobicContact CB-CE2 3.78Å; N1522-F1524 HydrophobicContact CB-CZ 3.72Å; F1524-L1526 PolarHBondContact O-N 3.27Å; F1524-E1542 WeakPolarHBondContact O-CA 3.26Å; F1524-F1543 HydrophobicContact CB-CD1 4.25Å; F1524-F1543 AromaticContact CD2-CD1 3.61Å; F1524-F1543 HydrophobicContact CD2-CD1 3.61Å; F1524-F1543 AromaticContact CD2-CE1 3.89Å; F1524-F1543 HydrophobicContact CD2-CE1 3.89Å; F1524-F1543 HydrophobicContact CE2-CD1 4.43Å; F1524-F1543 HydrophobicContact CE2-CE1 4.27Å; F1524-F1543 HydrophobicContact CG-CD1 4.32Å; F1524-F1543 PolarHBondContact N-O 3.11Å; F1524-F1543 PolarHBondContact O-N 3.15Å; F1524-G1545 WeakPolarHBondContact CE2-O 2.89Å; F1524-F1547 HydrophobicContact CE1-CE2 4.43Å; F1524-F1547 AromaticContact CE2-CE2 3.74Å; F1524-F1547 HydrophobicContact CE2-CE2 3.74Å; F1524-F1547 HydrophobicContact CE2-CZ 4.33Å; F1524-F1547 HydrophobicContact CZ-CD2 4.22Å; F1524-F1547 AromaticContact CZ-CE2 3.54Å; F1524-F1547 HydrophobicContact CZ-CE2 3.54Å |
| 1525 | T | 90.9 | Very high | 74 | Confident | 76 Ų | 76 | 59 Ų | 59 | 47% | 0.466 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 124.5 | 176.6 | -56 | 0 | 0 | 0 | 0 | 110.1 | H1405 Y1539 | H1405-T1525 PolarHBondContact ND1-O 3.44Å; T1525-Y1539 HydrophobicContact CG2-CD2 3.53Å; T1525-Y1539 HydrophobicContact CG2-CE2 3.67Å |
| 1526 | L | 90 | Very high | 72.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 130.1 | 176.1 | -56.7 | 168.6 | 0 | 0 | 0 | 108.7 | M1329 V1390 V1404 H1405 F1524 A1540 G1541 F1543 | M1329-L1526 HydrophobicContact CE-CD1 4.11Å; M1329-L1526 HydrophobicContact SD-CD1 3.8Å; V1390-L1526 HydrophobicContact CB-CD1 4.31Å; V1390-L1526 HydrophobicContact CG2-CD1 3.5Å; V1390-L1526 VanDerWaalsContact CG2-CD1 3.5Å; V1390-L1526 HydrophobicContact CG2-CD2 3.91Å; V1390-L1526 HydrophobicContact CG2-CG 4.37Å; V1404-L1526 WeakPolarHBondContact O-CA 3.32Å; H1405-L1526 HydrophobicContact CB-CD2 4.04Å; F1524-L1526 PolarHBondContact O-N 3.27Å; L1526-A1540 HydrophobicContact CB-CB 4.11Å; L1526-A1540 WeakPolarHBondContact O-CB 3.45Å; L1526-A1540 PolarHBondContact O-N 2.93Å; L1526-G1541 WeakPolarHBondContact CB-O 3.42Å; L1526-G1541 PolarHBondContact N-O 3.01Å; L1526-G1541 PolarHBondContact O-N 3.41Å; L1526-F1543 HydrophobicContact CD1-CB 4.35Å; L1526-F1543 HydrophobicContact CD2-CB 4.08Å; L1526-F1543 HydrophobicContact CG-CB 4.34Å |
| 1527 | S | 82.7 | Confident | 71.8 | Confident | 43 Ų | 43 | 63 Ų | 63 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 152.6 | 169 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | G1403 V1404 N1538 | G1403-S1527 WeakPolarHBondContact CA-O 3.28Å; V1404-S1527 PolarHBondContact N-O 2.9Å; V1404-S1527 PolarHBondContact O-N 3.12Å; V1404-S1527 PolarHBondContact O-OG 2.97Å; S1527-N1538 CarbonylContact C-O 3.59Å; S1527-N1538 WeakPolarHBondContact CA-O 3.34Å |
| 1528 | R | 75.8 | Confident | 71.2 | Confident | 95 Ų | 95 | 65.2 Ų | 65.2 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 147.8 | 156 | -60.4 | 178.6 | 173 | 177.6 | -2.6 | 105.7 | K1331 N1538 A1540 | K1331-R1528 PolarHBondContact O-NH2 2.79Å; R1528-N1538 VanDerWaalsContact C-OD1 3.23Å; R1528-N1538 VanDerWaalsContact CB-OD1 3.28Å; R1528-N1538 WeakPolarHBondContact CB-OD1 3.4Å; R1528-N1538 PolarHBondContact N-O 3.24Å; R1528-N1538 PolarHBondContact O-ND2 3.13Å; R1528-N1538 PolarHBondContact O-OD1 2.51Å; R1528-A1540 HydrophobicContact CG-CB 3.79Å |
| 1529 | G | 63.6 | Low | 71.5 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 19% | 0.186 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -78.8 | -174.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1174 | G1174-G1529 WeakPolarHBondContact O-CA 3.46Š|
| 1530 | K | 58.2 | Low | 72.2 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | trans | 18.5 | 103.8 | -169.5 | -164.4 | -174 | -162.9 | 154.5 | 0 | 116.3 | A1169 A1170 D1171 V1532 | A1169-K1530 VanDerWaalsContact CB-N 3.31Å; A1169-K1530 WeakPolarHBondContact O-CA 3.47Å; A1170-K1530 WeakPolarHBondContact O-CD 3.49Å; A1170-K1530 WeakPolarHBondContact O-CE 3.41Å; A1170-K1530 PolarHBondContact O-NZ 3.49Å; D1171-K1530 VanDerWaalsContact O-CB 3.3Å; D1171-K1530 WeakPolarHBondContact O-CB 3.34Å; K1530-V1532 HydrophobicContact CD-CG2 4.28Å; K1530-V1532 HydrophobicContact CG-CG2 4.42Å | ||
| 1531 | N | 55.1 | Low | 72.7 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | trans | -81.4 | 115.6 | 162.1 | -137.6 | 0.3 | 0 | 0 | 0 | 108.6 | D1533 E1536 | N1531-D1533 PolarHBondContact ND2-O 3.27Å; N1531-D1533 PolarHBondContact OD1-O 3.45Å; N1531-E1536 PolarHBondContact ND2-O 2.94Å; N1531-E1536 WeakPolarHBondContact OD1-CB 3.3Å; N1531-E1536 PolarHBondContact OD1-O 2.99Å | ||
| 1532 | V | 51.4 | Low | 73.1 | Confident | 110 Ų | 110 | 64 Ų | 64 | 67% | 0.667 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -79.1 | -34.5 | 179.3 | -173 | 0 | 0 | 0 | 0 | 110.3 | K1530 | K1530-V1532 HydrophobicContact CD-CG2 4.28Å; K1530-V1532 HydrophobicContact CG-CG2 4.42Å |
| 1533 | D | 50.8 | Low | 73.5 | Confident | 95 Ų | 95 | 61.9 Ų | 61.9 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -117.7 | 132.5 | 174.8 | -69.4 | -43.3 | 0 | 0 | 0 | 109.2 | N1531 D1535 E1536 | N1531-D1533 PolarHBondContact ND2-O 3.27Å; N1531-D1533 PolarHBondContact OD1-O 3.45Å; D1533-D1535 PolarHBondContact O-N 2.81Å; D1533-E1536 HydrophobicContact CB-CG 4.46Å; D1533-E1536 PolarHBondContact O-N 2.97Å |
| 1534 | E | 52.2 | Low | 73.7 | Confident | 136 Ų | 136 | 59.6 Ų | 59.6 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11.9 | -179.7 | -60.6 | -165.8 | 137.1 | 0 | 0 | 113.4 | K1274 | K1274-E1534 IonicContact NZ-OE1 3.18Å; K1274-E1534 PolarHBondContact NZ-OE1 3.41Å; K1274-E1534 IonicContact NZ-OE2 3.1Å; K1274-E1534 PolarHBondContact NZ-OE2 3.19Å |
| 1535 | D | 48.9 | Very low | 73.7 | Confident | 164 Ų | 164 | 58.9 Ų | 58.9 | 88% | 0.877 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -7.3 | -176.8 | -62.5 | -35.2 | 0 | 0 | 0 | 114.2 | D1533 | D1533-D1535 PolarHBondContact O-N 2.81Š|
| 1536 | E | 53.6 | Low | 73.8 | Confident | 122 Ų | 122 | 55.4 Ų | 55.4 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -84 | 143.3 | 179 | -81 | -163.9 | 165.2 | 0 | 0 | 113.6 | N1531 D1533 N1538 | N1531-E1536 PolarHBondContact ND2-O 2.94Å; N1531-E1536 WeakPolarHBondContact OD1-CB 3.3Å; N1531-E1536 PolarHBondContact OD1-O 2.99Å; D1533-E1536 HydrophobicContact CB-CG 4.46Å; D1533-E1536 PolarHBondContact O-N 2.97Å; E1536-N1538 PolarHBondContact O-N 3.42Å |
| 1537 | D | 61.1 | Low | 73.9 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | trans | -72.6 | 110.2 | 177.8 | 178.2 | 5.3 | 0 | 0 | 0 | 111.5 | R1330 Y1539 | R1330-D1537 IonicContact CZ-OD2 3.74Å; R1330-D1537 VanDerWaalsContact NH1-CG 3.31Å; R1330-D1537 IonicContact NH1-OD1 3.15Å; R1330-D1537 IonicContact NH1-OD2 3.81Å; R1330-D1537 PolarHBondContact NH1-OD2 3.09Å; R1330-D1537 IonicContact NH2-OD2 3.52Å; R1330-D1537 PolarHBondContact NH2-OD2 2.89Å; D1537-Y1539 VanDerWaalsContact C-N 3.28Å; D1537-Y1539 PolarHBondContact O-N 3.33Å; D1537-Y1539 VanDerWaalsContact OD1-CB 3.22Å; D1537-Y1539 WeakPolarHBondContact OD1-CB 3.42Å; D1537-Y1539 PolarHBondContact OD1-N 3.21Å | ||
| 1538 | N | 75.5 | Confident | 74.3 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | trans | -82.1 | 7.9 | -176.7 | -157.6 | 30.7 | 0 | 0 | 0 | 114.1 | S1527 R1528 E1536 | S1527-N1538 CarbonylContact C-O 3.59Å; S1527-N1538 WeakPolarHBondContact CA-O 3.34Å; R1528-N1538 VanDerWaalsContact C-OD1 3.23Å; R1528-N1538 VanDerWaalsContact CB-OD1 3.28Å; R1528-N1538 WeakPolarHBondContact CB-OD1 3.4Å; R1528-N1538 PolarHBondContact N-O 3.24Å; R1528-N1538 PolarHBondContact O-ND2 3.13Å; R1528-N1538 PolarHBondContact O-OD1 2.51Å; E1536-N1538 PolarHBondContact O-N 3.42Å | ||
| 1539 | Y | 85.3 | Confident | 75 | Confident | 50 Ų | 50 | 51.8 Ų | 51.8 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 132 | -179.5 | -179.6 | -83.3 | 0 | 0 | 0 | 112.6 | A1328 R1330 T1525 D1537 E1542 | A1328-Y1539 VanDerWaalsContact CB-OH 3.31Å; A1328-Y1539 WeakPolarHBondContact CB-OH 3.21Å; R1330-Y1539 WeakPolarHBondContact CD-O 3.46Å; R1330-Y1539 HydrophobicContact CG-CD1 4.1Å; R1330-Y1539 HydrophobicContact CG-CE1 4.31Å; R1330-Y1539 VanDerWaalsContact NE-CD1 3.32Å; T1525-Y1539 HydrophobicContact CG2-CD2 3.53Å; T1525-Y1539 HydrophobicContact CG2-CE2 3.67Å; D1537-Y1539 VanDerWaalsContact C-N 3.28Å; D1537-Y1539 PolarHBondContact O-N 3.33Å; D1537-Y1539 VanDerWaalsContact OD1-CB 3.22Å; D1537-Y1539 WeakPolarHBondContact OD1-CB 3.42Å; D1537-Y1539 PolarHBondContact OD1-N 3.21Å; Y1539-E1542 HydrophobicContact CE2-CG 4.47Å; Y1539-E1542 WeakPolarHBondContact OH-CG 3.3Å; Y1539-E1542 PolarHBondContact OH-OE1 2.75Å |
| 1540 | A | 87.2 | Confident | 76.3 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -27.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1330 V1402 L1526 R1528 | R1330-A1540 PolarHBondContact N-O 3.12Å; V1402-A1540 WeakPolarHBondContact O-CB 3.33Å; L1526-A1540 HydrophobicContact CB-CB 4.11Å; L1526-A1540 WeakPolarHBondContact O-CB 3.45Å; L1526-A1540 PolarHBondContact O-N 2.93Å; R1528-A1540 HydrophobicContact CG-CB 3.79Å |
| 1541 | G | 91.2 | Very high | 77.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.7 | -159.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1328 L1526 | A1328-G1541 WeakPolarHBondContact O-CA 3.38Å; L1526-G1541 WeakPolarHBondContact CB-O 3.42Å; L1526-G1541 PolarHBondContact N-O 3.01Å; L1526-G1541 PolarHBondContact O-N 3.41Å |
| 1542 | E | 93.9 | Very high | 79.4 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 15% | 0.15 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141 | -176.4 | -79.8 | 161 | -153.2 | 0 | 0 | 111.3 | V1326 R1327 T1523 F1524 Y1539 K1640 | V1326-E1542 CarbonylContact C-O 3.54Å; V1326-E1542 VanDerWaalsContact CA-O 3.32Å; V1326-E1542 WeakPolarHBondContact CA-O 3.44Å; R1327-E1542 HydrophobicContact CB-CB 3.91Å; R1327-E1542 PolarHBondContact N-O 2.92Å; R1327-E1542 PolarHBondContact O-N 2.81Å; T1523-E1542 HydrophobicContact CG2-CB 3.94Å; T1523-E1542 HydrophobicContact CG2-CG 3.76Å; F1524-E1542 WeakPolarHBondContact O-CA 3.26Å; Y1539-E1542 HydrophobicContact CE2-CG 4.47Å; Y1539-E1542 WeakPolarHBondContact OH-CG 3.3Å; Y1539-E1542 PolarHBondContact OH-OE1 2.75Å; E1542-K1640 IonicContact OE2-NZ 2.7Å; E1542-K1640 PolarHBondContact OE2-NZ 3.46Å |
| 1543 | F | 94.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.4 | 167.3 | 165.2 | -108.4 | 0 | 0 | 0 | 109.1 | G1325 V1342 F1344 I1388 F1524 L1526 | G1325-F1543 WeakPolarHBondContact O-CD2 3.39Å; V1342-F1543 HydrophobicContact CG1-CD2 4.35Å; V1342-F1543 HydrophobicContact CG1-CE2 4.28Å; V1342-F1543 HydrophobicContact CG2-CD2 3.9Å; V1342-F1543 HydrophobicContact CG2-CE2 4.11Å; F1344-F1543 AromaticContact CE1-CE1 3.74Å; F1344-F1543 HydrophobicContact CE1-CE1 3.74Å; F1344-F1543 AromaticContact CE1-CZ 3.68Å; F1344-F1543 HydrophobicContact CE1-CZ 3.68Å; F1344-F1543 AromaticContact CZ-CE1 3.95Å; F1344-F1543 HydrophobicContact CZ-CE1 3.95Å; F1344-F1543 AromaticContact CZ-CE2 3.92Å; F1344-F1543 HydrophobicContact CZ-CE2 3.92Å; F1344-F1543 AromaticContact CZ-CZ 3.37Å; F1344-F1543 HydrophobicContact CZ-CZ 3.37Å; I1388-F1543 HydrophobicContact CD1-CD1 4.15Å; I1388-F1543 HydrophobicContact CD1-CE1 4.22Å; I1388-F1543 HydrophobicContact CG2-CD1 3.67Å; I1388-F1543 HydrophobicContact CG2-CE1 4.07Å; I1388-F1543 HydrophobicContact CG2-CG 4.04Å; F1524-F1543 HydrophobicContact CB-CD1 4.25Å; F1524-F1543 AromaticContact CD2-CD1 3.61Å; F1524-F1543 HydrophobicContact CD2-CD1 3.61Å; F1524-F1543 AromaticContact CD2-CE1 3.89Å; F1524-F1543 HydrophobicContact CD2-CE1 3.89Å; F1524-F1543 HydrophobicContact CE2-CD1 4.43Å; F1524-F1543 HydrophobicContact CE2-CE1 4.27Å; F1524-F1543 HydrophobicContact CG-CD1 4.32Å; F1524-F1543 PolarHBondContact N-O 3.11Å; F1524-F1543 PolarHBondContact O-N 3.15Å; L1526-F1543 HydrophobicContact CD1-CB 4.35Å; L1526-F1543 HydrophobicContact CD2-CB 4.08Å; L1526-F1543 HydrophobicContact CG-CB 4.34Å |
| 1544 | K | 93.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.9 | 171.5 | -77.5 | -163.3 | 173.2 | -177 | 0 | 109.5 | W1324 G1325 R1327 N1522 T1523 D1664 E1666 N1667 | W1324-K1544 HydrophobicContact CB-CB 4.41Å; W1324-K1544 VanDerWaalsContact CB-O 3.27Å; W1324-K1544 WeakPolarHBondContact CB-O 3.47Å; W1324-K1544 PolarHBondContact N-O 3.22Å; W1324-K1544 VanDerWaalsContact N-O 3.11Å; G1325-K1544 PolarHBondContact N-O 2.88Å; G1325-K1544 VanDerWaalsContact N-O 3.17Å; G1325-K1544 PolarHBondContact O-N 3.28Å; R1327-K1544 HydrophobicContact CG-CD 4.15Å; R1327-K1544 HydrophobicContact CG-CG 4.15Å; N1522-K1544 WeakPolarHBondContact O-CA 3.18Å; T1523-K1544 HydrophobicContact CG2-CG 4.3Å; T1523-K1544 WeakPolarHBondContact OG1-CE 3.49Å; K1544-D1664 IonicContact NZ-OD1 3.72Å; K1544-D1664 IonicContact NZ-OD2 2.67Å; K1544-D1664 PolarHBondContact NZ-OD2 2.97Å; K1544-E1666 WeakPolarHBondContact CD-OE2 3.47Å; K1544-E1666 WeakPolarHBondContact CE-OE2 3.38Å; K1544-E1666 IonicContact NZ-OE2 3.82Å; K1544-E1666 PolarHBondContact NZ-OE2 3.4Å; K1544-N1667 PolarHBondContact NZ-OD1 3.02Å |
| 1545 | G | 93.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1322 N1522 F1524 | L1322-G1545 CarbonylContact O-C 3.24Å; L1322-G1545 WeakPolarHBondContact O-CA 3.33Å; N1522-G1545 CarbonylContact C-O 3.56Å; N1522-G1545 WeakPolarHBondContact CA-O 3.19Å; N1522-G1545 WeakPolarHBondContact CB-O 3.37Å; N1522-G1545 PolarHBondContact N-O 3.14Å; N1522-G1545 PolarHBondContact O-N 3.35Å; F1524-G1545 WeakPolarHBondContact CE2-O 2.89Å |
| 1546 | T | 91.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 170.3 | 174.8 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | L1322 F1520 N1522 R1548 F1565 | L1322-T1546 HydrophobicContact CB-CG2 4Å; L1322-T1546 HydrophobicContact CD2-CG2 4.09Å; L1322-T1546 PolarHBondContact N-O 3.25Å; L1322-T1546 PolarHBondContact O-N 3.11Å; L1322-T1546 VanDerWaalsContact O-N 3.11Å; F1520-T1546 WeakPolarHBondContact O-CG2 3.46Å; N1522-T1546 WeakPolarHBondContact OD1-CB 3.3Å; N1522-T1546 PolarHBondContact OD1-OG1 3.47Å; T1546-R1548 PolarHBondContact OG1-NH1 3.18Å; T1546-F1565 HydrophobicContact CG2-CE1 4.3Å; T1546-F1565 HydrophobicContact CG2-CZ 3.86Å |
| 1547 | F | 92.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.6 | -171.3 | -49 | -75.7 | 0 | 0 | 0 | 111.4 | I1319 E1320 I1321 F1344 M1386 I1388 L1407 F1413 F1524 I1549 | I1319-F1547 HydrophobicContact CG2-CB 4.44Å; I1319-F1547 HydrophobicContact CG2-CD1 4.32Å; E1320-F1547 CarbonylContact O-C 3.53Å; E1320-F1547 VanDerWaalsContact O-CA 3.27Å; E1320-F1547 WeakPolarHBondContact O-CA 3.3Å; I1321-F1547 HydrophobicContact CB-CD1 4.2Å; I1321-F1547 HydrophobicContact CB-CE1 4.31Å; I1321-F1547 HydrophobicContact CG1-CD1 3.8Å; I1321-F1547 HydrophobicContact CG1-CE1 4Å; I1321-F1547 HydrophobicContact CG2-CD1 4.07Å; I1321-F1547 HydrophobicContact CG2-CE1 3.73Å; F1344-F1547 AromaticContact CD1-CE1 3.97Å; F1344-F1547 HydrophobicContact CD1-CE1 3.97Å; F1344-F1547 HydrophobicContact CD1-CZ 4.26Å; F1344-F1547 AromaticContact CE1-CE1 3.86Å; F1344-F1547 HydrophobicContact CE1-CE1 3.86Å; F1344-F1547 AromaticContact CE1-CZ 3.98Å; F1344-F1547 HydrophobicContact CE1-CZ 3.98Å; M1386-F1547 HydrophobicContact CE-CD1 3.65Å; M1386-F1547 HydrophobicContact CE-CD2 3.77Å; M1386-F1547 HydrophobicContact CE-CE1 3.27Å; M1386-F1547 HydrophobicContact CE-CE2 3.41Å; M1386-F1547 VanDerWaalsContact CE-CE2 3.41Å; M1386-F1547 HydrophobicContact CE-CG 3.88Å; M1386-F1547 HydrophobicContact CE-CZ 3.16Å; M1386-F1547 HydrophobicContact SD-CD1 4.34Å; M1386-F1547 HydrophobicContact SD-CE1 3.91Å; M1386-F1547 HydrophobicContact SD-CZ 4.24Å; I1388-F1547 HydrophobicContact CD1-CE2 4.35Å; I1388-F1547 HydrophobicContact CD1-CZ 3.88Å; L1407-F1547 HydrophobicContact CD2-CD2 4.01Å; L1407-F1547 HydrophobicContact CD2-CE2 3.85Å; F1413-F1547 HydrophobicContact CB-CB 3.94Å; F1413-F1547 HydrophobicContact CD1-CB 4.02Å; F1413-F1547 HydrophobicContact CD1-CD2 4.06Å; F1413-F1547 HydrophobicContact CD2-CD2 4.21Å; F1413-F1547 HydrophobicContact CE1-CD2 4.06Å; F1413-F1547 HydrophobicContact CE2-CD2 4.24Å; F1413-F1547 HydrophobicContact CG-CB 3.93Å; F1413-F1547 HydrophobicContact CG-CD2 4.14Å; F1413-F1547 HydrophobicContact CZ-CD2 4.16Å; F1524-F1547 HydrophobicContact CE1-CE2 4.43Å; F1524-F1547 AromaticContact CE2-CE2 3.74Å; F1524-F1547 HydrophobicContact CE2-CE2 3.74Å; F1524-F1547 HydrophobicContact CE2-CZ 4.33Å; F1524-F1547 HydrophobicContact CZ-CD2 4.22Å; F1524-F1547 AromaticContact CZ-CE2 3.54Å; F1524-F1547 HydrophobicContact CZ-CE2 3.54Å; F1547-I1549 HydrophobicContact CB-CG1 4.49Å |
| 1548 | R | 90.5 | Very high | 87.6 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 118.5 | 165.3 | -63.2 | -66.9 | 178.8 | -90.2 | 0.9 | 108.5 | I1319 E1320 F1413 V1415 T1546 Y1564 F1565 | I1319-R1548 WeakPolarHBondContact CA-O 3.05Å; E1320-R1548 HydrophobicContact CB-CB 4.23Å; E1320-R1548 PolarHBondContact N-O 3.38Å; E1320-R1548 PolarHBondContact O-N 3.32Å; F1413-R1548 WeakPolarHBondContact O-CA 3.24Å; V1415-R1548 HydrophobicContact CG2-CB 3.82Å; V1415-R1548 HydrophobicContact CG2-CG 4.36Å; T1546-R1548 PolarHBondContact OG1-NH1 3.18Å; R1548-Y1564 HydrophobicContact CB-CD2 4.29Å; R1548-Y1564 HydrophobicContact CB-CG 4.47Å; R1548-Y1564 HydrophobicContact CG-CD2 4.46Å; R1548-Y1564 HydrophobicContact CG-CG 4.15Å; R1548-F1565 HydrophobicContact CB-CE2 4.48Å; R1548-F1565 HydrophobicContact CB-CZ 4.45Å; R1548-F1565 HydrophobicContact CG-CE1 4.05Å; R1548-F1565 HydrophobicContact CG-CE2 4Å; R1548-F1565 HydrophobicContact CG-CZ 3.52Å |
| 1549 | I | 91.5 | Very high | 87.8 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 118.8 | -172.9 | -54.7 | 178.6 | 0 | 0 | 0 | 108.4 | T1317 G1318 I1319 F1410 F1413 K1414 V1415 F1547 | T1317-I1549 HydrophobicContact CG2-CG2 3.48Å; T1317-I1549 VanDerWaalsContact CG2-CG2 3.48Å; G1318-I1549 WeakPolarHBondContact O-CA 3.22Å; I1319-I1549 HydrophobicContact CG1-CG1 4.26Å; I1319-I1549 HydrophobicContact CG1-CG2 4.49Å; I1319-I1549 HydrophobicContact CG2-CG1 4.15Å; F1410-I1549 HydrophobicContact CB-CD1 4.05Å; F1410-I1549 HydrophobicContact CD1-CD1 3.49Å; F1410-I1549 VanDerWaalsContact CD1-CD1 3.49Å; F1410-I1549 HydrophobicContact CE1-CD1 4.31Å; F1410-I1549 HydrophobicContact CG-CD1 4.12Å; F1413-I1549 HydrophobicContact CB-CD1 4.05Å; F1413-I1549 HydrophobicContact CB-CG1 4.2Å; F1413-I1549 PolarHBondContact O-N 2.59Å; K1414-I1549 WeakPolarHBondContact CA-O 3.31Å; K1414-I1549 HydrophobicContact CG-CB 4.3Å; K1414-I1549 HydrophobicContact CG-CG2 4.46Å; V1415-I1549 PolarHBondContact N-O 3.08Å; F1547-I1549 HydrophobicContact CB-CG1 4.49Å |
| 1550 | Y | 90.4 | Very high | 87.6 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 151.7 | -177.9 | 55.1 | -89.9 | 0 | 0 | 0 | 111.7 | T1317 G1318 E1320 V1415 A1417 L1552 P1561 Y1564 | T1317-Y1550 WeakPolarHBondContact CG2-O 3.07Å; G1318-Y1550 PolarHBondContact N-O 3.01Å; G1318-Y1550 PolarHBondContact O-N 2.93Å; E1320-Y1550 HydrophobicContact CG-CE1 3.89Å; E1320-Y1550 WeakPolarHBondContact OE1-CE1 3.29Å; E1320-Y1550 PolarHBondContact OE1-OH 3.36Å; V1415-Y1550 HydrophobicContact CG2-CD1 4.07Å; V1415-Y1550 WeakPolarHBondContact O-CB 3.47Å; A1417-Y1550 HydrophobicContact CB-CD2 4.01Å; Y1550-L1552 HydrophobicContact CD2-CD2 4.12Å; Y1550-L1552 HydrophobicContact CE2-CD2 3.65Å; Y1550-P1561 HydrophobicContact CD2-CB 4.45Å; Y1550-P1561 HydrophobicContact CD2-CG 4.37Å; Y1550-P1561 HydrophobicContact CE2-CB 3.97Å; Y1550-P1561 HydrophobicContact CE2-CG 4.09Å; Y1550-Y1564 HydrophobicContact CD1-CD2 4.38Å; Y1550-Y1564 HydrophobicContact CD1-CE2 4.35Å; Y1550-Y1564 HydrophobicContact CE1-CD2 4.22Å |
| 1551 | P | 89.7 | Confident | 87.4 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 144 | 178.5 | 28.9 | -35.1 | 0 | 0 | 0 | 111.6 | Q1315 | Q1315-P1551 HydrophobicContact CG-CB 4.49Å; Q1315-P1551 VanDerWaalsContact NE2-CB 3.32Å |
| 1552 | L | 90 | Very high | 87 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | trans | -105 | 157.5 | 173.5 | -63 | 178.1 | 0 | 0 | 0 | 110.6 | R1316 F1371 D1373 Y1550 L1560 P1561 | R1316-L1552 HydrophobicContact CB-CB 4.38Å; R1316-L1552 HydrophobicContact CG-CB 4.04Å; R1316-L1552 HydrophobicContact CG-CD1 4.22Å; R1316-L1552 PolarHBondContact O-N 2.76Å; F1371-L1552 HydrophobicContact CZ-CD1 4.06Å; D1373-L1552 HydrophobicContact CB-CD1 4.42Å; Y1550-L1552 HydrophobicContact CD2-CD2 4.12Å; Y1550-L1552 HydrophobicContact CE2-CD2 3.65Å; L1552-L1560 HydrophobicContact CD1-CD2 4.33Å; L1552-L1560 HydrophobicContact CD2-CD2 4.08Å; L1552-P1561 HydrophobicContact CD2-CG 4.21Å | ||
| 1553 | P | 86.4 | Confident | 86.5 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -54.6 | 140.1 | 170.1 | -25.9 | 34.8 | 0 | 0 | 0 | 112.9 | R1316 E1558 | R1316-P1553 WeakPolarHBondContact CD-O 3.48Å; R1316-P1553 PolarHBondContact NH1-O 2.83Å; P1553-E1558 HydrophobicContact CB-CB 3.77Å; P1553-E1558 WeakPolarHBondContact CB-OE2 3.31Å; P1553-E1558 HydrophobicContact CG-CB 4.2Å | ||
| 1554 | E | 80.6 | Confident | 85.7 | Confident | 180 Ų | 180 | 61 Ų | 61 | 84% | 0.841 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -65.3 | -39.8 | 179.2 | -70.3 | -173.7 | 176.9 | 0 | 0 | 112 | P1556 | E1554-P1556 VanDerWaalsContact O-CD 3.3Å; E1554-P1556 WeakPolarHBondContact O-CD 3.36Å |
| 1555 | D | 81 | Confident | 85.1 | Confident | 71 Ų | 71 | 62 Ų | 62 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -76.4 | 118 | 174.3 | -173.1 | -8.2 | 0 | 0 | 0 | 110.4 | K1557 E1558 | D1555-K1557 PolarHBondContact O-N 2.86Å; D1555-K1557 WeakPolarHBondContact OD1-CB 3.39Å; D1555-K1557 PolarHBondContact OD1-N 2.98Å; D1555-E1558 HydrophobicContact CB-CG 4.16Å; D1555-E1558 PolarHBondContact O-N 2.95Å; D1555-E1558 VanDerWaalsContact O-N 3.1Å |
| 1556 | P | 75.6 | Confident | 84.2 | Confident | 100 Ų | 100 | 68.2 Ų | 68.2 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.5 | 175 | -21.4 | 33.6 | 0 | 0 | 0 | 115.2 | E1554 | E1554-P1556 VanDerWaalsContact O-CD 3.3Å; E1554-P1556 WeakPolarHBondContact O-CD 3.36Å |
| 1557 | K | 83.1 | Confident | 83 | Confident | 191 Ų | 191 | 76.5 Ų | 76.5 | 83% | 0.83 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -16.5 | 178.4 | -61.7 | 175.9 | -177.1 | 171.5 | 0 | 113.5 | D1555 | D1555-K1557 PolarHBondContact O-N 2.86Å; D1555-K1557 WeakPolarHBondContact OD1-CB 3.39Å; D1555-K1557 PolarHBondContact OD1-N 2.98Å |
| 1558 | E | 82.6 | Confident | 82 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -69.6 | 152 | 175.3 | -78.7 | -174.7 | -167.4 | 0 | 0 | 111.3 | P1553 D1555 L1560 | P1553-E1558 HydrophobicContact CB-CB 3.77Å; P1553-E1558 WeakPolarHBondContact CB-OE2 3.31Å; P1553-E1558 HydrophobicContact CG-CB 4.2Å; D1555-E1558 HydrophobicContact CB-CG 4.16Å; D1555-E1558 PolarHBondContact O-N 2.95Å; D1555-E1558 VanDerWaalsContact O-N 3.1Å; E1558-L1560 PolarHBondContact O-N 2.94Å |
| 1559 | Q | 79.1 | Confident | 80.9 | Confident | 183 Ų | 183 | 81.3 Ų | 81.3 | 86% | 0.855 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 127.2 | -178.5 | -172.3 | 171.1 | -2.5 | 0 | 0 | 110 | ||
| 1560 | L | 82.4 | Confident | 80.2 | Confident | 72 Ų | 72 | 82.5 Ų | 82.5 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 146.4 | 178.1 | -65.8 | 172.8 | 0 | 0 | 0 | 111 | L1552 E1558 | L1552-L1560 HydrophobicContact CD1-CD2 4.33Å; L1552-L1560 HydrophobicContact CD2-CD2 4.08Å; E1558-L1560 PolarHBondContact O-N 2.94Å |
| 1561 | P | 83 | Confident | 79.7 | Confident | 23 Ų | 23 | 86 Ų | 86 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 150.9 | 170.7 | -25.7 | 34.7 | 0 | 0 | 0 | 112.5 | A1417 R1418 Y1550 L1552 R1563 | A1417-P1561 HydrophobicContact CB-CB 4.06Å; A1417-P1561 HydrophobicContact CB-CG 3.85Å; R1418-P1561 WeakPolarHBondContact O-CA 3.18Å; R1418-P1561 WeakPolarHBondContact O-CB 3.46Å; Y1550-P1561 HydrophobicContact CD2-CB 4.45Å; Y1550-P1561 HydrophobicContact CD2-CG 4.37Å; Y1550-P1561 HydrophobicContact CE2-CB 3.97Å; Y1550-P1561 HydrophobicContact CE2-CG 4.09Å; L1552-P1561 HydrophobicContact CD2-CG 4.21Å; P1561-R1563 PolarHBondContact O-N 3.09Å |
| 1562 | I | 81.4 | Confident | 79.4 | Confident | 44 Ų | 44 | 84.3 Ų | 84.3 | 23% | 0.226 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 132.3 | 177.4 | -61 | 169.4 | 0 | 0 | 0 | 108.7 | R1418 Q1421 | R1418-I1562 HydrophobicContact CB-CB 4.15Å; R1418-I1562 WeakPolarHBondContact CB-O 3.49Å; R1418-I1562 PolarHBondContact O-N 2.89Å; R1418-I1562 VanDerWaalsContact O-N 3.1Å; Q1421-I1562 HydrophobicContact CG-CD1 4.02Å |
| 1563 | R | 83.6 | Confident | 79.3 | Confident | 111 Ų | 111 | 89 Ų | 89 | 42% | 0.419 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 139.3 | -175.5 | -70.4 | -178.1 | -173 | 175.9 | 1.3 | 111.5 | E1320 R1418 P1561 E1566 | E1320-R1563 HydrophobicContact CG-CG 4.46Å; E1320-R1563 WeakPolarHBondContact OE1-CA 3.41Å; E1320-R1563 WeakPolarHBondContact OE2-CB 3.14Å; R1418-R1563 PolarHBondContact NH1-O 2.72Å; P1561-R1563 PolarHBondContact O-N 3.09Å; R1563-E1566 HydrophobicContact CB-CB 4.1Å |
| 1564 | Y | 79.2 | Confident | 79.5 | Confident | 28 Ų | 28 | 89.7 Ų | 89.7 | 11% | 0.11 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -40.7 | 175.1 | -82.2 | -92 | 0 | 0 | 0 | 111.6 | E1320 V1415 P1416 R1418 L1425 R1548 Y1550 | E1320-Y1564 VanDerWaalsContact CD-N 3.29Å; E1320-Y1564 PolarHBondContact OE1-N 3.27Å; E1320-Y1564 PolarHBondContact OE2-N 3.36Å; V1415-Y1564 HydrophobicContact CB-CE2 4.21Å; V1415-Y1564 HydrophobicContact CG2-CD2 4.03Å; V1415-Y1564 HydrophobicContact CG2-CE1 4.49Å; V1415-Y1564 HydrophobicContact CG2-CE2 3.46Å; V1415-Y1564 VanDerWaalsContact CG2-CE2 3.46Å; P1416-Y1564 VanDerWaalsContact O-CE2 3.32Å; P1416-Y1564 WeakPolarHBondContact O-CE2 3.45Å; P1416-Y1564 PolarHBondContact O-OH 3.06Å; R1418-Y1564 HydrophobicContact CG-CD2 4.15Å; R1418-Y1564 HydrophobicContact CG-CE1 4.01Å; R1418-Y1564 HydrophobicContact CG-CE2 3.57Å; R1418-Y1564 VanDerWaalsContact CG-CZ 3.48Å; L1425-Y1564 HydrophobicContact CD2-CD1 3.47Å; L1425-Y1564 VanDerWaalsContact CD2-CD1 3.47Å; L1425-Y1564 HydrophobicContact CD2-CE1 3.91Å; L1425-Y1564 HydrophobicContact CD2-CG 4.45Å; R1548-Y1564 HydrophobicContact CB-CD2 4.29Å; R1548-Y1564 HydrophobicContact CB-CG 4.47Å; R1548-Y1564 HydrophobicContact CG-CD2 4.46Å; R1548-Y1564 HydrophobicContact CG-CG 4.15Å; Y1550-Y1564 HydrophobicContact CD1-CD2 4.38Å; Y1550-Y1564 HydrophobicContact CD1-CE2 4.35Å; Y1550-Y1564 HydrophobicContact CE1-CD2 4.22Å |
| 1565 | F | 80 | Confident | 80 | Confident | 21 Ų | 21 | 83.9 Ų | 83.9 | 9% | 0.092 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 9.7 | -176.9 | -54.2 | -46.1 | 0 | 0 | 0 | 114.6 | E1320 L1322 L1369 T1546 R1548 K1567 | E1320-F1565 HydrophobicContact CB-CD2 3.65Å; E1320-F1565 HydrophobicContact CB-CE2 3.77Å; E1320-F1565 PolarHBondContact OE2-N 3.29Å; L1322-F1565 HydrophobicContact CB-CD2 4.15Å; L1322-F1565 HydrophobicContact CB-CE1 4.39Å; L1322-F1565 HydrophobicContact CB-CE2 3.87Å; L1322-F1565 HydrophobicContact CB-CZ 3.99Å; L1369-F1565 HydrophobicContact CD1-CB 4.36Å; L1369-F1565 WeakPolarHBondContact CD1-O 3.36Å; L1369-F1565 HydrophobicContact CD2-CB 3.47Å; L1369-F1565 VanDerWaalsContact CD2-CB 3.47Å; L1369-F1565 HydrophobicContact CD2-CD2 4.35Å; L1369-F1565 HydrophobicContact CD2-CG 4.15Å; T1546-F1565 HydrophobicContact CG2-CE1 4.3Å; T1546-F1565 HydrophobicContact CG2-CZ 3.86Å; R1548-F1565 HydrophobicContact CB-CE2 4.48Å; R1548-F1565 HydrophobicContact CB-CZ 4.45Å; R1548-F1565 HydrophobicContact CG-CE1 4.05Å; R1548-F1565 HydrophobicContact CG-CE2 4Å; R1548-F1565 HydrophobicContact CG-CZ 3.52Å; F1565-K1567 PolarHBondContact O-N 2.92Å |
| 1566 | E | 73.7 | Confident | 80.6 | Confident | 131 Ų | 131 | 84.3 Ų | 84.3 | 61% | 0.612 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -58.6 | -33.5 | -176 | -161.5 | 175.5 | 172.8 | 0 | 0 | 113.4 | R1563 | R1563-E1566 HydrophobicContact CB-CB 4.1Š|
| 1567 | K | 67.3 | Low | 81.5 | Confident | 177 Ų | 177 | 79.6 Ų | 79.6 | 77% | 0.77 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -123.3 | 92.2 | 173.7 | -70.1 | -177.2 | -179 | 176.9 | 0 | 109.9 | F1565 | F1565-K1567 PolarHBondContact O-N 2.92Š|
| 1568 | L | 71.5 | Confident | 82.1 | Confident | 59 Ų | 59 | 72 Ų | 72 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | trans | -71.5 | 126 | 167 | -69.5 | 171.4 | 0 | 0 | 0 | 109.3 | L1322 P1368 L1369 V1570 | L1322-L1568 HydrophobicContact CD1-CD1 3.95Å; L1322-L1568 HydrophobicContact CD1-CD2 4.07Å; L1322-L1568 HydrophobicContact CD2-CD2 4.34Å; P1368-L1568 HydrophobicContact CG-CD1 4.26Å; L1369-L1568 HydrophobicContact CD1-CD1 4.23Å; L1369-L1568 HydrophobicContact CD1-CG 4.49Å; L1369-L1568 HydrophobicContact CD2-CD1 3.79Å; L1369-L1568 HydrophobicContact CD2-CG 4.24Å; L1369-L1568 HydrophobicContact CG-CD1 4.09Å; L1568-V1570 PolarHBondContact O-N 2.89Å | ||
| 1569 | S | 67.7 | Low | 82.7 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -78.9 | -3.3 | 172.6 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1570 | V | 75.8 | Confident | 83.5 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 22% | 0.218 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -119.2 | 131.9 | -174 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | W1324 F1520 L1568 L1670 | W1324-V1570 HydrophobicContact CH2-CB 4.4Å; W1324-V1570 HydrophobicContact CH2-CG1 3.83Å; W1324-V1570 HydrophobicContact CZ2-CG1 4.15Å; F1520-V1570 HydrophobicContact CD2-CG2 4.23Å; F1520-V1570 HydrophobicContact CE2-CB 3.99Å; F1520-V1570 HydrophobicContact CE2-CG2 3.71Å; F1520-V1570 HydrophobicContact CZ-CB 4.02Å; F1520-V1570 HydrophobicContact CZ-CG1 4.24Å; F1520-V1570 HydrophobicContact CZ-CG2 4.19Å; L1568-V1570 PolarHBondContact O-N 2.89Å; V1570-L1670 HydrophobicContact CG1-CD2 3.52Å |
| 1571 | S | 81.2 | Confident | 84.1 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 54% | 0.538 | 28% | 0.283 | S | S | . | . | trans | -78.5 | 144.4 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | W1324 D1573 | W1324-S1571 WeakPolarHBondContact CH2-O 3.45Å; S1571-D1573 VanDerWaalsContact C-N 3.33Å; S1571-D1573 PolarHBondContact OG-N 2.9Å | ||
| 1572 | S | 81.9 | Confident | 84.8 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -83.6 | -7.6 | 174.3 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | N1362 N1364 | N1362-S1572 PolarHBondContact ND2-O 3.37Å; N1364-S1572 WeakPolarHBondContact CB-O 3.42Å; N1364-S1572 PolarHBondContact ND2-O 2.79Å |
| 1573 | D | 88.1 | Confident | 85.5 | Confident | 108 Ų | 108 | 51.7 Ų | 51.7 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -71.9 | 143.1 | 177.5 | -67.8 | -43.9 | 0 | 0 | 0 | 111.5 | S1571 E1575 | S1571-D1573 VanDerWaalsContact C-N 3.33Å; S1571-D1573 PolarHBondContact OG-N 2.9Å; D1573-E1575 PolarHBondContact O-N 2.8Å |
| 1574 | P | 90.9 | Very high | 86.1 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | trans | -59.5 | 135.7 | 174.3 | -22.1 | 33.5 | 0 | 0 | 0 | 111.5 | N1362 I1635 L1636 I1638 | N1362-P1574 HydrophobicContact CB-CG 3.86Å; P1574-I1635 HydrophobicContact CB-CG2 3.66Å; P1574-L1636 CarbonylContact C-O 3.58Å; P1574-L1636 VanDerWaalsContact CA-O 3.23Å; P1574-L1636 WeakPolarHBondContact CA-O 3.39Å; P1574-I1638 HydrophobicContact CB-CD1 4.24Å; P1574-I1638 HydrophobicContact CG-CD1 4.33Å | ||
| 1575 | E | 91.1 | Very high | 86.8 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 27% | 0.266 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.7 | -177.6 | -173.8 | 172.9 | -129.9 | 0 | 0 | 109.9 | D1573 C1577 L1636 R1669 P1797 | D1573-E1575 PolarHBondContact O-N 2.8Å; E1575-C1577 PolarHBondContact O-N 3.22Å; E1575-L1636 PolarHBondContact N-O 2.82Å; E1575-L1636 PolarHBondContact O-N 2.93Å; E1575-R1669 IonicContact OE1-NH2 2.78Å; E1575-R1669 IonicContact OE2-CZ 2.87Å; E1575-R1669 IonicContact OE2-NE 3.52Å; E1575-R1669 PolarHBondContact OE2-NE 2.8Å; E1575-R1669 IonicContact OE2-NH2 3.41Å; E1575-R1669 PolarHBondContact OE2-NH2 3.3Å; E1575-P1797 HydrophobicContact CG-CB 4.36Å; E1575-P1797 WeakPolarHBondContact OE1-CB 3.14Å |
| 1576 | E | 94.4 | Very high | 87.5 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 38% | 0.379 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 117.3 | 172 | -173.5 | -173.4 | 173.5 | 0 | 0 | 109.4 | K1633 C1634 T1798 | E1576-K1633 VanDerWaalsContact OE1-CD 3.32Å; E1576-K1633 WeakPolarHBondContact OE1-CD 3.39Å; E1576-K1633 WeakPolarHBondContact OE1-CE 3.34Å; E1576-K1633 IonicContact OE1-NZ 2.7Å; E1576-K1633 PolarHBondContact OE1-NZ 2.99Å; E1576-C1634 WeakPolarHBondContact CA-O 3.36Å; E1576-T1798 HydrophobicContact CG-CG2 4.06Å; E1576-T1798 WeakPolarHBondContact O-CB 3.37Å; E1576-T1798 WeakPolarHBondContact O-CG2 3.31Å; E1576-T1798 PolarHBondContact O-N 3.3Å; E1576-T1798 PolarHBondContact O-OG1 2.93Å |
| 1577 | C | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.9 | -179.4 | -68.8 | 0 | 0 | 0 | 0 | 110.9 | E1575 K1633 C1634 L1636 I1795 F1796 | E1575-C1577 PolarHBondContact O-N 3.22Å; C1577-K1633 CarbonylContact O-C 3.59Å; C1577-K1633 WeakPolarHBondContact O-CA 3.21Å; C1577-C1634 PolarHBondContact N-O 3.29Å; C1577-C1634 PolarHBondContact O-N 2.91Å; C1577-L1636 HydrophobicContact CB-CD1 4.45Å; C1577-I1795 HydrophobicContact CB-CG2 4.02Å; C1577-F1796 CarbonylContact C-O 3.12Å; C1577-F1796 WeakPolarHBondContact CA-O 3.17Å |
| 1578 | M | 95.1 | Very high | 89.1 | Confident | 31 Ų | 31 | 37.6 Ų | 37.6 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 119.5 | 163.5 | -171.5 | 70.8 | 69.4 | 0 | 0 | 108.5 | Q1631 K1633 F1796 T1798 | M1578-Q1631 HydrophobicContact CG-CG 3.92Å; M1578-Q1631 HydrophobicContact SD-CG 3.49Å; M1578-Q1631 WeakPolarHBondContact SD-CG 3.22Å; M1578-Q1631 PolarHBondContact SD-NE2 3.1Å; M1578-K1633 HydrophobicContact CE-CD 4.25Å; M1578-K1633 HydrophobicContact CE-CG 3.75Å; M1578-K1633 HydrophobicContact SD-CG 3.85Å; M1578-F1796 HydrophobicContact CB-CB 4.37Å; M1578-F1796 PolarHBondContact N-O 2.84Å; M1578-F1796 PolarHBondContact O-N 2.87Å; M1578-T1798 HydrophobicContact CB-CG2 4.38Å |
| 1579 | L | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.5 | 174.4 | -60.3 | 175.4 | 0 | 0 | 0 | 109.8 | V1606 Q1631 M1632 C1634 L1665 D1794 I1795 | L1579-V1606 HydrophobicContact CD1-CB 4.46Å; L1579-V1606 HydrophobicContact CD1-CG1 4.03Å; L1579-V1606 HydrophobicContact CD1-CG2 3.95Å; L1579-Q1631 VanDerWaalsContact O-CA 3.32Å; L1579-Q1631 WeakPolarHBondContact O-CA 3.42Å; L1579-M1632 HydrophobicContact CB-CG 4.24Å; L1579-M1632 HydrophobicContact CD1-CG 4.4Å; L1579-M1632 PolarHBondContact N-O 2.82Å; L1579-M1632 PolarHBondContact O-N 3.46Å; L1579-C1634 HydrophobicContact CD1-CB 3.83Å; L1579-C1634 VanDerWaalsContact CD1-SG 3.5Å; L1579-C1634 HydrophobicContact CG-CB 4.34Å; L1579-C1634 VanDerWaalsContact CG-SG 3.57Å; L1579-L1665 HydrophobicContact CD1-CD1 3.44Å; L1579-L1665 VanDerWaalsContact CD1-CD1 3.44Å; L1579-L1665 HydrophobicContact CD2-CD1 3.91Å; L1579-L1665 HydrophobicContact CD2-CD2 4.24Å; L1579-L1665 HydrophobicContact CG-CD1 4.32Å; L1579-D1794 WeakPolarHBondContact CA-O 3.44Å; L1579-I1795 HydrophobicContact CD2-CB 4.25Å; L1579-I1795 HydrophobicContact CD2-CG1 3.83Å; L1579-I1795 HydrophobicContact CD2-CG2 3.99Å |
| 1580 | R | 95.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.5 | 164.4 | -66.3 | -176.9 | 176.5 | 155.3 | -7.8 | 108.9 | Y1582 M1629 F1630 Q1631 V1793 D1794 F1796 G1804 | R1580-Y1582 HydrophobicContact CB-CD2 4.29Å; R1580-Y1582 HydrophobicContact CB-CE2 3.56Å; R1580-M1629 HydrophobicContact CB-CG 4.47Å; R1580-M1629 HydrophobicContact CB-SD 4.31Å; R1580-M1629 HydrophobicContact CG-SD 4.19Å; R1580-F1630 CarbonylContact C-O 3.55Å; R1580-F1630 WeakPolarHBondContact CA-O 3.49Å; R1580-Q1631 HydrophobicContact CG-CB 4.37Å; R1580-Q1631 HydrophobicContact CG-CG 4.11Å; R1580-V1793 WeakPolarHBondContact O-CA 3.32Å; R1580-D1794 HydrophobicContact CB-CB 4.34Å; R1580-D1794 PolarHBondContact N-O 3.14Å; R1580-D1794 PolarHBondContact O-N 2.72Å; R1580-F1796 HydrophobicContact CG-CE2 4.3Å; R1580-G1804 VanDerWaalsContact CZ-O 3.27Å; R1580-G1804 PolarHBondContact NH1-O 3.43Å; R1580-G1804 PolarHBondContact NH2-O 2.89Å |
| 1581 | V | 96.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.5 | 178.8 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | I1583 I1604 M1629 F1630 L1642 M1791 V1793 | V1581-I1583 HydrophobicContact CG1-CD1 3.72Å; V1581-I1583 HydrophobicContact CG1-CG1 4.27Å; V1581-I1604 HydrophobicContact CB-CD1 3.82Å; V1581-I1604 HydrophobicContact CG1-CD1 3.67Å; V1581-I1604 HydrophobicContact CG2-CD1 4.45Å; V1581-M1629 WeakPolarHBondContact O-CA 3.1Å; V1581-F1630 PolarHBondContact N-O 3.36Å; V1581-F1630 PolarHBondContact O-N 3.03Å; V1581-L1642 HydrophobicContact CG1-CD2 4.5Å; V1581-L1642 HydrophobicContact CG2-CD1 4.12Å; V1581-L1642 HydrophobicContact CG2-CD2 3.81Å; V1581-M1791 HydrophobicContact CG1-CE 3.72Å; V1581-V1793 HydrophobicContact CG1-CG2 4.28Å; V1581-V1793 HydrophobicContact CG2-CG1 4.31Å; V1581-V1793 HydrophobicContact CG2-CG2 4.42Å |
| 1582 | Y | 97.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 115.5 | -178.8 | -65.2 | -100.4 | 0 | 0 | 0 | 108.9 | R1580 M1629 R1692 M1791 W1792 D1794 P1806 F1807 I1809 | R1580-Y1582 HydrophobicContact CB-CD2 4.29Å; R1580-Y1582 HydrophobicContact CB-CE2 3.56Å; Y1582-M1629 HydrophobicContact CD1-CB 3.72Å; Y1582-M1629 HydrophobicContact CD1-CG 3.63Å; Y1582-M1629 HydrophobicContact CD2-CG 4.35Å; Y1582-M1629 HydrophobicContact CE1-CB 3.82Å; Y1582-M1629 HydrophobicContact CE1-CG 3.37Å; Y1582-M1629 HydrophobicContact CE2-CG 4.13Å; Y1582-M1629 HydrophobicContact CG-CB 4.41Å; Y1582-M1629 HydrophobicContact CG-CG 4.13Å; Y1582-R1692 PolarHBondContact OH-NH1 3.48Å; Y1582-M1791 CarbonylContact O-C 3.58Å; Y1582-M1791 WeakPolarHBondContact O-CA 3.48Å; Y1582-M1791 WeakPolarHBondContact O-CB 3.17Å; Y1582-W1792 VanDerWaalsContact CB-CE2 3.44Å; Y1582-W1792 VanDerWaalsContact CB-CZ2 3.46Å; Y1582-W1792 AromaticContact CD1-CE2 3.94Å; Y1582-W1792 AromaticContact CD1-CH2 3.73Å; Y1582-W1792 HydrophobicContact CD1-CH2 3.73Å; Y1582-W1792 AromaticContact CD1-CZ2 3.3Å; Y1582-W1792 HydrophobicContact CD1-CZ2 3.3Å; Y1582-W1792 AromaticContact CD2-CD1 3.86Å; Y1582-W1792 HydrophobicContact CD2-CD2 4.09Å; Y1582-W1792 AromaticContact CD2-CE2 3.32Å; Y1582-W1792 HydrophobicContact CD2-CG 4.39Å; Y1582-W1792 AromaticContact CD2-CZ2 3.61Å; Y1582-W1792 HydrophobicContact CD2-CZ2 3.61Å; Y1582-W1792 AromaticContact CD2-NE1 3.13Å; Y1582-W1792 AromaticContact CE1-CZ2 3.81Å; Y1582-W1792 HydrophobicContact CE1-CZ2 3.81Å; Y1582-W1792 AromaticContact CE2-CE2 3.94Å; Y1582-W1792 HydrophobicContact CE2-CZ2 4.07Å; Y1582-W1792 AromaticContact CE2-NE1 3.5Å; Y1582-W1792 AromaticContact CG-CD2 3.98Å; Y1582-W1792 HydrophobicContact CG-CD2 3.98Å; Y1582-W1792 AromaticContact CG-CE2 3.3Å; Y1582-W1792 HydrophobicContact CG-CE3 4.4Å; Y1582-W1792 AromaticContact CG-CH2 3.74Å; Y1582-W1792 HydrophobicContact CG-CH2 3.74Å; Y1582-W1792 AromaticContact CG-CZ2 3.17Å; Y1582-W1792 HydrophobicContact CG-CZ2 3.17Å; Y1582-W1792 HydrophobicContact CG-CZ3 4.29Å; Y1582-W1792 AromaticContact CG-NE1 3.68Å; Y1582-W1792 PolarHBondContact N-O 3.47Å; Y1582-W1792 PolarHBondContact O-N 2.83Å; Y1582-W1792 VanDerWaalsContact O-N 3.07Å; Y1582-D1794 WeakPolarHBondContact CE2-OD2 3.5Å; Y1582-P1806 WeakPolarHBondContact OH-CA 3.44Å; Y1582-P1806 WeakPolarHBondContact OH-CB 3.38Å; Y1582-F1807 HydrophobicContact CE1-CB 4.06Å; Y1582-F1807 PolarHBondContact OH-N 2.67Å; Y1582-I1809 HydrophobicContact CD1-CD1 3.84Å; Y1582-I1809 HydrophobicContact CD1-CG1 4.21Å; Y1582-I1809 HydrophobicContact CD1-CG2 4.35Å; Y1582-I1809 HydrophobicContact CG-CD1 4.39Å |
| 1583 | I | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 110.8 | 178.3 | -51.3 | -61.6 | 0 | 0 | 0 | 108 | V1581 V1602 I1604 F1626 G1627 K1628 F1630 V1644 L1789 M1791 | V1581-I1583 HydrophobicContact CG1-CD1 3.72Å; V1581-I1583 HydrophobicContact CG1-CG1 4.27Å; I1583-V1602 HydrophobicContact CG1-CG1 4.22Å; I1583-V1602 HydrophobicContact CG2-CG2 3.97Å; I1583-I1604 HydrophobicContact CG1-CD1 4.21Å; I1583-F1626 HydrophobicContact CG2-CB 4.24Å; I1583-F1626 HydrophobicContact CG2-CD2 3.65Å; I1583-F1626 HydrophobicContact CG2-CE2 4.34Å; I1583-F1626 HydrophobicContact CG2-CG 4.21Å; I1583-G1627 PolarHBondContact O-N 2.49Å; I1583-K1628 PolarHBondContact N-O 2.78Å; I1583-K1628 PolarHBondContact O-N 3.2Å; I1583-F1630 HydrophobicContact CG1-CD2 4.3Å; I1583-F1630 HydrophobicContact CG1-CE2 4.07Å; I1583-V1644 HydrophobicContact CD1-CG1 3.89Å; I1583-L1789 HydrophobicContact CD1-CD2 4.25Å; I1583-L1789 HydrophobicContact CG2-CD1 3.78Å; I1583-L1789 HydrophobicContact CG2-CG 4.4Å; I1583-M1791 HydrophobicContact CD1-CB 3.77Å; I1583-M1791 HydrophobicContact CD1-CE 3.92Å; I1583-M1791 HydrophobicContact CD1-CG 4.5Å; I1583-M1791 HydrophobicContact CD1-SD 3.96Å |
| 1584 | I | 94.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -66.6 | -174.1 | -55 | 160.3 | 0 | 0 | 0 | 108.6 | W1476 W1477 F1480 F1626 G1627 V1771 Q1790 W1792 | W1476-I1584 HydrophobicContact CH2-CD1 3.71Å; W1476-I1584 HydrophobicContact CH2-CG1 3.73Å; W1476-I1584 HydrophobicContact CH2-CG2 4.05Å; W1476-I1584 HydrophobicContact CZ2-CD1 4.33Å; W1476-I1584 HydrophobicContact CZ3-CG1 4.39Å; W1476-I1584 HydrophobicContact CZ3-CG2 4.09Å; W1477-I1584 HydrophobicContact CH2-CG2 3.62Å; W1477-I1584 HydrophobicContact CZ2-CG2 4.37Å; W1477-I1584 HydrophobicContact CZ3-CG2 3.98Å; F1480-I1584 HydrophobicContact CE2-CD1 4.46Å; I1584-F1626 PolarHBondContact O-N 3.02Å; I1584-G1627 PolarHBondContact O-N 3.02Å; I1584-V1771 HydrophobicContact CD1-CB 4.08Å; I1584-V1771 HydrophobicContact CD1-CG1 3.31Å; I1584-V1771 HydrophobicContact CD1-CG2 3.56Å; I1584-Q1790 HydrophobicContact CB-CB 4.38Å; I1584-Q1790 WeakPolarHBondContact CB-O 3.27Å; I1584-Q1790 HydrophobicContact CD1-CB 4.21Å; I1584-Q1790 PolarHBondContact N-O 2.65Å; I1584-W1792 HydrophobicContact CD1-CE3 3.86Å; I1584-W1792 HydrophobicContact CD1-CZ3 3.63Å; I1584-W1792 HydrophobicContact CG1-CE3 4.09Å; I1584-W1792 HydrophobicContact CG1-CZ3 3.58Å |
| 1585 | R | 94.5 | Very high | 88 | Confident | 54 Ų | 54 | 26.1 Ų | 26.1 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 155.9 | -176 | 64.4 | -179.5 | -180 | 171.5 | 4.1 | 111.3 | P1624 E1625 Q1790 | R1585-P1624 CarbonylContact C-O 3.57Å; R1585-P1624 WeakPolarHBondContact CA-O 3.45Å; R1585-P1624 WeakPolarHBondContact CB-O 3.23Å; R1585-E1625 HydrophobicContact CB-CG 4.3Å; R1585-Q1790 HydrophobicContact CG-CB 4.29Å; R1585-Q1790 PolarHBondContact O-N 3.19Å |
| 1586 | A | 94.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 156.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1589 N1623 P1624 F1626 K1788 L1789 | A1586-L1589 HydrophobicContact CB-CD1 3.86Å; A1586-L1589 HydrophobicContact CB-CD2 3.66Å; A1586-L1589 HydrophobicContact CB-CG 3.69Å; A1586-N1623 CarbonylContact O-C 3.55Å; A1586-N1623 WeakPolarHBondContact O-CA 3.4Å; A1586-P1624 HydrophobicContact CB-CG 3.82Å; A1586-P1624 PolarHBondContact N-O 2.95Å; A1586-F1626 HydrophobicContact CB-CE2 3.9Å; A1586-K1788 CarbonylContact C-O 3.58Å; A1586-K1788 WeakPolarHBondContact CA-O 3.42Å; A1586-K1788 WeakPolarHBondContact CB-O 3.36Å; A1586-L1789 HydrophobicContact CB-CD1 3.94Å |
| 1587 | I | 89.9 | Confident | 86.1 | Confident | 39 Ų | 39 | 20.3 Ų | 20.3 | 20% | 0.2 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.4 | -176.2 | -53.6 | 169.8 | 0 | 0 | 0 | 107.3 | L1589 N1623 K1788 Q1790 | I1587-L1589 VanDerWaalsContact C-N 3.35Å; I1587-L1589 PolarHBondContact O-N 3.21Å; I1587-N1623 WeakPolarHBondContact CA-OD1 3.48Å; I1587-K1788 HydrophobicContact CB-CB 4.43Å; I1587-K1788 PolarHBondContact N-O 3.39Å; I1587-K1788 PolarHBondContact O-N 2.86Å; I1587-Q1790 HydrophobicContact CD1-CG 4.04Å |
| 1588 | D | 85.1 | Confident | 85.6 | Confident | 77 Ų | 77 | 20.3 Ų | 20.3 | 41% | 0.412 | 11% | 0.114 | S | C | . | . | S | Bend | trans | 50.5 | 47.5 | 176.3 | -54 | -31 | 0 | 0 | 0 | 113.8 | L1622 N1623 G1787 | D1588-L1622 PolarHBondContact N-O 2.76Å; D1588-N1623 PolarHBondContact N-OD1 3.43Å; D1588-G1787 VanDerWaalsContact O-CA 3.27Å; D1588-G1787 WeakPolarHBondContact O-CA 3.34Å |
| 1589 | L | 87.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -57.2 | 152.4 | 173.3 | -69.6 | -178.6 | 0 | 0 | 0 | 111.5 | N253 A1586 I1587 P1591 P1600 L1622 P1624 V1646 I1658 L1776 | N253-L1589 PolarHBondContact ND2-O 3.32Å; A1586-L1589 HydrophobicContact CB-CD1 3.86Å; A1586-L1589 HydrophobicContact CB-CD2 3.66Å; A1586-L1589 HydrophobicContact CB-CG 3.69Å; I1587-L1589 VanDerWaalsContact C-N 3.35Å; I1587-L1589 PolarHBondContact O-N 3.21Å; L1589-P1591 WeakPolarHBondContact O-CD 3.46Å; L1589-P1600 HydrophobicContact CD1-CB 3.7Å; L1589-P1600 HydrophobicContact CD1-CG 4.06Å; L1589-L1622 HydrophobicContact CB-CB 4.37Å; L1589-L1622 HydrophobicContact CB-CD2 4.44Å; L1589-L1622 WeakPolarHBondContact CB-O 3.35Å; L1589-L1622 PolarHBondContact N-O 3.35Å; L1589-L1622 WeakPolarHBondContact O-CD2 3.41Å; L1589-P1624 HydrophobicContact CD1-CG 3.65Å; L1589-V1646 HydrophobicContact CD1-CG1 3.8Å; L1589-V1646 HydrophobicContact CD2-CG1 4.18Å; L1589-I1658 HydrophobicContact CB-CG2 4.25Å; L1589-I1658 HydrophobicContact CD1-CD1 4.32Å; L1589-I1658 HydrophobicContact CD2-CG2 4.24Å; L1589-L1776 HydrophobicContact CD2-CD1 3.63Å | ||
| 1590 | Q | 80.1 | Confident | 85.3 | Confident | 17 Ų | 17 | 19.5 Ų | 19.5 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | trans | -73 | 126.5 | 172.5 | 171.4 | 155.8 | -37.2 | 0 | 0 | 111.3 | Q204 R206 S1592 I1658 Q1786 | Q204-Q1590 VanDerWaalsContact NE2-CG 3.29Å; R206-Q1590 VanDerWaalsContact NH2-NE2 3.19Å; Q1590-S1592 PolarHBondContact O-N 3.49Å; Q1590-S1592 PolarHBondContact O-OG 3.39Å; Q1590-I1658 HydrophobicContact CB-CG2 4.08Å; Q1590-I1658 WeakPolarHBondContact O-CG2 3.46Å; Q1590-Q1786 HydrophobicContact CB-CB 4.43Å; Q1590-Q1786 PolarHBondContact N-O 2.9Å; Q1590-Q1786 VanDerWaalsContact N-O 3.14Å | ||
| 1591 | P | 78.5 | Confident | 85.3 | Confident | 17 Ų | 17 | 19 Ų | 19 | 11% | 0.11 | 11% | 0.109 | C | C | . | . | trans | -39.9 | 123.2 | 160.3 | -39.2 | 43.6 | 0 | 0 | 0 | 112.4 | D202 Q204 N253 L1589 G1596 L1622 | D202-P1591 HydrophobicContact CB-CG 4.31Å; Q204-P1591 HydrophobicContact CB-CB 4.36Å; Q204-P1591 HydrophobicContact CB-CG 4.26Å; N253-P1591 HydrophobicContact CB-CG 3.89Å; N253-P1591 WeakPolarHBondContact OD1-CD 3.38Å; L1589-P1591 WeakPolarHBondContact O-CD 3.46Å; P1591-G1596 VanDerWaalsContact CA-O 3.23Å; P1591-G1596 WeakPolarHBondContact CA-O 3.5Å; P1591-G1596 WeakPolarHBondContact CB-O 3.38Å; P1591-G1596 WeakPolarHBondContact CG-O 3.33Å; P1591-L1622 HydrophobicContact CG-CD1 3.94Å; P1591-L1622 HydrophobicContact CG-CD2 4.22Å | ||
| 1592 | S | 78.5 | Confident | 85.2 | Confident | 36 Ų | 36 | 19.1 Ų | 19.1 | 25% | 0.252 | 11% | 0.109 | S | C | . | . | trans | -124 | -11.7 | 174 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | Q1590 L1597 D1648 | Q1590-S1592 PolarHBondContact O-N 3.49Å; Q1590-S1592 PolarHBondContact O-OG 3.39Å; S1592-L1597 PolarHBondContact N-O 3.47Å; S1592-L1597 VanDerWaalsContact N-O 3.15Å; S1592-D1648 VanDerWaalsContact C-OD2 3.22Å; S1592-D1648 WeakPolarHBondContact CB-OD2 3.39Å | ||
| 1593 | D | 75.5 | Confident | 85.2 | Confident | 26 Ų | 26 | 19.4 Ų | 19.4 | 14% | 0.139 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -104.1 | 166.2 | -167.8 | -148.2 | -12.4 | 0 | 0 | 0 | 113.2 | S1595 G1596 L1597 D1648 | D1593-S1595 PolarHBondContact O-N 2.97Å; D1593-G1596 WeakPolarHBondContact O-CA 3.47Å; D1593-G1596 PolarHBondContact O-N 3.5Å; D1593-L1597 VanDerWaalsContact CB-O 3.29Å; D1593-L1597 WeakPolarHBondContact CB-O 3.48Å; D1593-L1597 PolarHBondContact N-O 3.04Å; D1593-D1648 WeakPolarHBondContact CB-OD2 3.45Å; D1593-D1648 PolarHBondContact N-OD2 3.02Å |
| 1594 | S | 66.9 | Low | 85.1 | Confident | 79 Ų | 79 | 19.4 Ų | 19.4 | 55% | 0.552 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.9 | 174 | 72.3 | 0 | 0 | 0 | 0 | 114.5 | P330 | P330-S1594 WeakPolarHBondContact CB-O 3.24Å; P330-S1594 WeakPolarHBondContact CG-O 3.41Å |
| 1595 | S | 66.9 | Low | 85.1 | Confident | 23 Ų | 23 | 21.2 Ų | 21.2 | 16% | 0.161 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15 | 159 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | Q201 D202 D1593 L1597 N1620 | Q201-S1595 CarbonylContact C-O 3.53Å; Q201-S1595 WeakPolarHBondContact CA-O 3.38Å; D202-S1595 PolarHBondContact N-O 3.37Å; D202-S1595 VanDerWaalsContact OD2-C 3.29Å; D1593-S1595 PolarHBondContact O-N 2.97Å; S1595-L1597 PolarHBondContact OG-N 3.09Å; S1595-N1620 WeakPolarHBondContact CB-OD1 3.36Å; S1595-N1620 PolarHBondContact OG-OD1 3.37Å |
| 1596 | G | 66.2 | Low | 85.1 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 78.6 | -10.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D202 P1591 D1593 | D202-G1596 WeakPolarHBondContact CB-O 3.45Å; D202-G1596 VanDerWaalsContact CG-CA 3.42Å; D202-G1596 WeakPolarHBondContact O-CA 3.33Å; D202-G1596 WeakPolarHBondContact OD2-CA 3.43Å; D202-G1596 PolarHBondContact OD2-N 3.3Å; P1591-G1596 VanDerWaalsContact CA-O 3.23Å; P1591-G1596 WeakPolarHBondContact CA-O 3.5Å; P1591-G1596 WeakPolarHBondContact CB-O 3.38Å; P1591-G1596 WeakPolarHBondContact CG-O 3.33Å; D1593-G1596 WeakPolarHBondContact O-CA 3.47Å; D1593-G1596 PolarHBondContact O-N 3.5Å |
| 1597 | L | 80.5 | Confident | 84.7 | Confident | 13 Ų | 13 | 20.3 Ų | 20.3 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -80.6 | -155.4 | -177.6 | -82.2 | 160.5 | 0 | 0 | 0 | 103.8 | D202 F255 S1592 D1593 S1595 N1620 L1622 | D202-L1597 VanDerWaalsContact CG-CA 3.48Å; D202-L1597 WeakPolarHBondContact OD1-CA 3.49Å; D202-L1597 WeakPolarHBondContact OD1-CD2 3.18Å; D202-L1597 WeakPolarHBondContact OD1-CG 3Å; D202-L1597 VanDerWaalsContact OD2-CA 3.3Å; D202-L1597 WeakPolarHBondContact OD2-CA 3.38Å; D202-L1597 WeakPolarHBondContact OD2-CG 3.19Å; D202-L1597 PolarHBondContact OD2-N 2.96Å; F255-L1597 HydrophobicContact CB-CD2 4.12Å; F255-L1597 HydrophobicContact CD1-CD1 4.09Å; F255-L1597 HydrophobicContact CD2-CD1 3.76Å; F255-L1597 HydrophobicContact CD2-CD2 4.3Å; F255-L1597 HydrophobicContact CD2-CG 3.83Å; F255-L1597 HydrophobicContact CE1-CD1 3.91Å; F255-L1597 HydrophobicContact CE2-CD1 3.52Å; F255-L1597 HydrophobicContact CE2-CG 4.02Å; F255-L1597 HydrophobicContact CG-CD1 4.01Å; F255-L1597 HydrophobicContact CG-CD2 4.09Å; F255-L1597 HydrophobicContact CG-CG 4.1Å; F255-L1597 HydrophobicContact CZ-CD1 3.6Å; S1592-L1597 PolarHBondContact N-O 3.47Å; S1592-L1597 VanDerWaalsContact N-O 3.15Å; D1593-L1597 VanDerWaalsContact CB-O 3.29Å; D1593-L1597 WeakPolarHBondContact CB-O 3.48Å; D1593-L1597 PolarHBondContact N-O 3.04Å; S1595-L1597 PolarHBondContact OG-N 3.09Å; L1597-N1620 HydrophobicContact CB-CB 4.34Å; L1597-N1620 HydrophobicContact CD1-CB 3.41Å; L1597-N1620 VanDerWaalsContact CD1-CB 3.41Å; L1597-N1620 WeakPolarHBondContact CD1-O 3.34Å; L1597-N1620 HydrophobicContact CG-CB 4.4Å; L1597-L1622 HydrophobicContact CD2-CG 4.06Å |
| 1598 | A | 84.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -135.7 | 163 | 154.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | P1600 N1620 T1621 L1622 I1658 | A1598-P1600 WeakPolarHBondContact O-CD 3.41Å; A1598-N1620 CarbonylContact O-C 3.6Å; A1598-N1620 WeakPolarHBondContact O-CA 3.4Å; A1598-N1620 PolarHBondContact O-N 3.01Å; A1598-N1620 VanDerWaalsContact O-N 3.11Å; A1598-T1621 PolarHBondContact O-N 3.11Å; A1598-L1622 HydrophobicContact CB-CD2 4.28Å; A1598-I1658 HydrophobicContact CB-CD1 3.58Å | ||
| 1599 | D | 88.9 | Confident | 84.6 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | trans | -101.7 | 60.4 | 165.1 | -72.4 | -15 | 0 | 0 | 0 | 109.2 | Y1617 L1618 P1619 N1620 D1648 Y1649 | D1599-Y1617 HydrophobicContact CB-CD2 3.72Å; D1599-Y1617 HydrophobicContact CB-CE2 4.08Å; D1599-L1618 CarbonylContact C-O 3.56Å; D1599-L1618 WeakPolarHBondContact CA-O 3.39Å; D1599-P1619 WeakPolarHBondContact OD1-CA 3.43Å; D1599-N1620 PolarHBondContact OD1-N 3.13Å; D1599-D1648 WeakPolarHBondContact CA-OD1 3.25Å; D1599-D1648 WeakPolarHBondContact CB-OD1 3.24Å; D1599-D1648 PolarHBondContact N-OD1 2.83Å; D1599-Y1649 PolarHBondContact O-N 2.83Å; D1599-Y1649 VanDerWaalsContact O-N 3.16Å | ||
| 1600 | P | 93.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 139.9 | -165.7 | 28.1 | -39.7 | 0 | 0 | 0 | 113.4 | L1589 A1598 L1618 T1621 P1624 F1626 V1646 K1647 I1658 | L1589-P1600 HydrophobicContact CD1-CB 3.7Å; L1589-P1600 HydrophobicContact CD1-CG 4.06Å; A1598-P1600 WeakPolarHBondContact O-CD 3.41Å; P1600-L1618 WeakPolarHBondContact CD-O 3.17Å; P1600-L1618 PolarHBondContact O-N 2.6Å; P1600-L1618 VanDerWaalsContact O-N 3.07Å; P1600-T1621 VanDerWaalsContact CD-O 3.3Å; P1600-T1621 WeakPolarHBondContact CD-O 3.14Å; P1600-T1621 HydrophobicContact CG-CG2 3.96Å; P1600-T1621 WeakPolarHBondContact CG-O 3.34Å; P1600-P1624 HydrophobicContact CB-CB 4.47Å; P1600-P1624 HydrophobicContact CB-CG 4.04Å; P1600-P1624 HydrophobicContact CG-CB 3.66Å; P1600-P1624 HydrophobicContact CG-CG 3.55Å; P1600-F1626 HydrophobicContact CB-CE1 4.26Å; P1600-F1626 HydrophobicContact CB-CZ 4.09Å; P1600-V1646 HydrophobicContact CB-CG1 4.06Å; P1600-K1647 CarbonylContact C-O 3.59Å; P1600-K1647 VanDerWaalsContact CA-O 3.25Å; P1600-K1647 WeakPolarHBondContact CA-O 3.5Å; P1600-I1658 HydrophobicContact CB-CD1 4.24Å |
| 1601 | Y | 95.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.4 | 164.7 | 74.7 | -86.4 | 0 | 0 | 0 | 110.3 | E1603 N1612 K1614 K1647 D1655 | Y1601-E1603 HydrophobicContact CE2-CB 4.44Å; Y1601-N1612 HydrophobicContact CD2-CB 4.22Å; Y1601-N1612 HydrophobicContact CE2-CB 4Å; Y1601-K1614 HydrophobicContact CD2-CB 3.88Å; Y1601-K1614 HydrophobicContact CE1-CG 4.34Å; Y1601-K1614 HydrophobicContact CE2-CB 3.83Å; Y1601-K1614 HydrophobicContact CE2-CG 4.38Å; Y1601-K1614 HydrophobicContact CG-CB 4.28Å; Y1601-K1647 HydrophobicContact CD1-CB 4.14Å; Y1601-K1647 WeakPolarHBondContact CD1-O 3.42Å; Y1601-K1647 HydrophobicContact CE1-CB 3.5Å; Y1601-K1647 HydrophobicContact CE2-CB 4.09Å; Y1601-K1647 HydrophobicContact CE2-CD 4.3Å; Y1601-K1647 VanDerWaalsContact CZ-CB 3.47Å; Y1601-K1647 PolarHBondContact N-O 3.36Å; Y1601-K1647 PolarHBondContact O-N 2.69Å; Y1601-K1647 WeakPolarHBondContact OH-CD 3.38Å; Y1601-D1655 HydrophobicContact CE1-CB 4.3Å; Y1601-D1655 PolarHBondContact OH-OD2 3.31Å |
| 1602 | V | 95.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.3 | -176.8 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | I1583 I1604 N1612 S1613 F1626 V1644 I1645 | I1583-V1602 HydrophobicContact CG1-CG1 4.22Å; I1583-V1602 HydrophobicContact CG2-CG2 3.97Å; V1602-I1604 HydrophobicContact CG1-CG1 4Å; V1602-N1612 CarbonylContact O-C 3.43Å; V1602-N1612 VanDerWaalsContact O-CA 3.24Å; V1602-N1612 WeakPolarHBondContact O-CA 3.48Å; V1602-S1613 PolarHBondContact N-OG 2.8Å; V1602-S1613 PolarHBondContact O-N 3.46Å; V1602-S1613 PolarHBondContact O-OG 3.45Å; V1602-F1626 HydrophobicContact CG2-CD1 3.74Å; V1602-F1626 HydrophobicContact CG2-CD2 3.79Å; V1602-F1626 HydrophobicContact CG2-CE1 3.61Å; V1602-F1626 HydrophobicContact CG2-CE2 3.63Å; V1602-F1626 HydrophobicContact CG2-CG 3.81Å; V1602-F1626 HydrophobicContact CG2-CZ 3.53Å; V1602-V1644 HydrophobicContact CG1-CG1 3.98Å; V1602-I1645 WeakPolarHBondContact CA-O 3.25Å |
| 1603 | E | 95.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.6 | 171.7 | 178.8 | 165.4 | 102.8 | 0 | 0 | 108.9 | Y1601 I1605 K1610 N1612 I1645 K1647 | Y1601-E1603 HydrophobicContact CE2-CB 4.44Å; E1603-I1605 HydrophobicContact CG-CD1 4.4Å; E1603-I1605 HydrophobicContact CG-CG1 4.2Å; E1603-K1610 HydrophobicContact CG-CG 4.49Å; E1603-K1610 WeakPolarHBondContact OE1-CE 3.47Å; E1603-K1610 IonicContact OE1-NZ 3.41Å; E1603-K1610 PolarHBondContact OE1-NZ 2.77Å; E1603-K1610 WeakPolarHBondContact OE2-CE 3.44Å; E1603-K1610 IonicContact OE2-NZ 2.72Å; E1603-K1610 PolarHBondContact OE2-NZ 3.21Å; E1603-N1612 HydrophobicContact CB-CB 4.03Å; E1603-N1612 HydrophobicContact CG-CB 4.17Å; E1603-I1645 HydrophobicContact CB-CB 4.36Å; E1603-I1645 PolarHBondContact N-O 3.16Å; E1603-I1645 PolarHBondContact O-N 2.69Å; E1603-K1647 WeakPolarHBondContact OE1-CE 3.25Å; E1603-K1647 IonicContact OE1-NZ 3.35Å; E1603-K1647 PolarHBondContact OE1-NZ 3.2Å; E1603-K1647 IonicContact OE2-NZ 2.95Å |
| 1604 | I | 95.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.1 | -179.3 | -57.6 | -173.7 | 0 | 0 | 0 | 108.6 | V1581 I1583 V1602 K1610 V1611 F1630 M1632 L1642 H1643 | V1581-I1604 HydrophobicContact CB-CD1 3.82Å; V1581-I1604 HydrophobicContact CG1-CD1 3.67Å; V1581-I1604 HydrophobicContact CG2-CD1 4.45Å; I1583-I1604 HydrophobicContact CG1-CD1 4.21Å; V1602-I1604 HydrophobicContact CG1-CG1 4Å; I1604-K1610 WeakPolarHBondContact O-CA 3.48Å; I1604-V1611 PolarHBondContact N-O 3.22Å; I1604-V1611 PolarHBondContact O-N 3.13Å; I1604-F1630 HydrophobicContact CD1-CB 3.81Å; I1604-F1630 HydrophobicContact CD1-CD1 4.29Å; I1604-F1630 HydrophobicContact CD1-CD2 3.2Å; I1604-F1630 HydrophobicContact CD1-CE2 3.7Å; I1604-F1630 HydrophobicContact CD1-CG 3.52Å; I1604-F1630 HydrophobicContact CD1-CZ 4.42Å; I1604-F1630 HydrophobicContact CG1-CD2 4.28Å; I1604-F1630 HydrophobicContact CG1-CE2 4.44Å; I1604-F1630 HydrophobicContact CG1-CG 4.46Å; I1604-M1632 HydrophobicContact CB-CE 4.13Å; I1604-M1632 HydrophobicContact CG2-CE 3.67Å; I1604-M1632 HydrophobicContact CG2-SD 4.25Å; I1604-L1642 HydrophobicContact CG2-CD1 3.4Å; I1604-L1642 VanDerWaalsContact CG2-CD1 3.4Å; I1604-H1643 WeakPolarHBondContact CA-O 3.21Å |
| 1605 | I | 94.9 | Very high | 88 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.6 | -179.4 | -50.5 | 178.3 | 0 | 0 | 0 | 109.2 | E1603 H1609 K1610 H1643 I1645 | E1603-I1605 HydrophobicContact CG-CD1 4.4Å; E1603-I1605 HydrophobicContact CG-CG1 4.2Å; I1605-H1609 WeakPolarHBondContact CA-O 3.47Å; I1605-K1610 HydrophobicContact CD1-CD 4.43Å; I1605-K1610 HydrophobicContact CG1-CG 4.17Å; I1605-H1643 HydrophobicContact CB-CB 4.21Å; I1605-H1643 PolarHBondContact N-O 2.89Å; I1605-H1643 PolarHBondContact O-N 2.87Å; I1605-I1645 HydrophobicContact CD1-CD1 3.75Å; I1605-I1645 HydrophobicContact CG1-CD1 4.46Å |
| 1606 | V | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 115.9 | 171.4 | 133.1 | 0 | 0 | 0 | 0 | 107.5 | L1579 Q1608 H1609 M1632 C1634 E1639 E1641 L1642 L1665 | L1579-V1606 HydrophobicContact CD1-CB 4.46Å; L1579-V1606 HydrophobicContact CD1-CG1 4.03Å; L1579-V1606 HydrophobicContact CD1-CG2 3.95Å; V1606-Q1608 PolarHBondContact O-N 3.41Å; V1606-Q1608 VanDerWaalsContact O-N 3.12Å; V1606-H1609 PolarHBondContact N-O 2.64Å; V1606-H1609 WeakPolarHBondContact O-CA 3.37Å; V1606-H1609 WeakPolarHBondContact O-CB 3.43Å; V1606-H1609 PolarHBondContact O-N 2.78Å; V1606-M1632 HydrophobicContact CB-SD 4.13Å; V1606-M1632 HydrophobicContact CG1-SD 4.43Å; V1606-C1634 HydrophobicContact CG1-CB 3.42Å; V1606-C1634 VanDerWaalsContact CG1-CB 3.42Å; V1606-E1639 HydrophobicContact CG1-CB 4.37Å; V1606-E1641 WeakPolarHBondContact CG2-O 3.25Å; V1606-L1642 HydrophobicContact CB-CD1 4.44Å; V1606-L1642 HydrophobicContact CG2-CB 3.79Å; V1606-L1642 HydrophobicContact CG2-CD1 3.55Å; V1606-L1642 HydrophobicContact CG2-CG 4.29Å; V1606-L1665 HydrophobicContact CG2-CD1 3.82Å |
| 1607 | G | 87.4 | Confident | 89.8 | Confident | 35 Ų | 35 | 47 Ų | 47 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -118.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1608 | Q | 84 | Confident | 90 | Very high | 177 Ų | 177 | 49 Ų | 49 | 83% | 0.827 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -6.3 | 175 | -60.7 | -60.4 | -61.4 | 0 | 0 | 113.7 | V1606 E1639 | V1606-Q1608 PolarHBondContact O-N 3.41Å; V1606-Q1608 VanDerWaalsContact O-N 3.12Å; Q1608-E1639 PolarHBondContact N-OE1 3.02Å |
| 1609 | H | 88.2 | Confident | 89.9 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 40% | 0.398 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.2 | 178.3 | -67.6 | -73.8 | 0 | 0 | 0 | 110.3 | I1605 V1606 M1632 K1633 | I1605-H1609 WeakPolarHBondContact CA-O 3.47Å; V1606-H1609 PolarHBondContact N-O 2.64Å; V1606-H1609 WeakPolarHBondContact O-CA 3.37Å; V1606-H1609 WeakPolarHBondContact O-CB 3.43Å; V1606-H1609 PolarHBondContact O-N 2.78Å; H1609-M1632 HydrophobicContact CB-SD 4.34Å; H1609-K1633 PolarHBondContact CD2-O 2.89Å; H1609-K1633 PolarHBondContact NE2-O 3.47Å |
| 1610 | K | 91.6 | Very high | 89.6 | Confident | 116 Ų | 116 | 52 Ų | 52 | 50% | 0.504 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.2 | 177.3 | 177.4 | 172.1 | -175.9 | 169.8 | 0 | 108.7 | E1603 I1604 I1605 | E1603-K1610 HydrophobicContact CG-CG 4.49Å; E1603-K1610 WeakPolarHBondContact OE1-CE 3.47Å; E1603-K1610 IonicContact OE1-NZ 3.41Å; E1603-K1610 PolarHBondContact OE1-NZ 2.77Å; E1603-K1610 WeakPolarHBondContact OE2-CE 3.44Å; E1603-K1610 IonicContact OE2-NZ 2.72Å; E1603-K1610 PolarHBondContact OE2-NZ 3.21Å; I1604-K1610 WeakPolarHBondContact O-CA 3.48Å; I1605-K1610 HydrophobicContact CD1-CD 4.43Å; I1605-K1610 HydrophobicContact CG1-CG 4.17Å |
| 1611 | V | 92.1 | Very high | 89.1 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.9 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | I1604 F1630 M1632 | I1604-V1611 PolarHBondContact N-O 3.22Å; I1604-V1611 PolarHBondContact O-N 3.13Å; V1611-F1630 HydrophobicContact CB-CD1 4.29Å; V1611-F1630 HydrophobicContact CG1-CD1 3.73Å; V1611-F1630 HydrophobicContact CG1-CE1 4.06Å; V1611-M1632 HydrophobicContact CB-CE 4.48Å; V1611-M1632 HydrophobicContact CG2-CE 4.22Å |
| 1612 | N | 91 | Very high | 88.6 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 164.9 | 175.8 | 64.8 | 46.6 | 0 | 0 | 0 | 111.1 | Y1601 V1602 E1603 K1614 | Y1601-N1612 HydrophobicContact CD2-CB 4.22Å; Y1601-N1612 HydrophobicContact CE2-CB 4Å; V1602-N1612 CarbonylContact O-C 3.43Å; V1602-N1612 VanDerWaalsContact O-CA 3.24Å; V1602-N1612 WeakPolarHBondContact O-CA 3.48Å; E1603-N1612 HydrophobicContact CB-CB 4.03Å; E1603-N1612 HydrophobicContact CG-CB 4.17Å; N1612-K1614 WeakPolarHBondContact OD1-CB 3.38Å; N1612-K1614 PolarHBondContact OD1-N 2.94Å |
| 1613 | S | 90.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | trans | -106.5 | 28.2 | 174.2 | 67.3 | 0 | 0 | 0 | 0 | 113 | V1602 D1615 K1616 Y1617 | V1602-S1613 PolarHBondContact N-OG 2.8Å; V1602-S1613 PolarHBondContact O-N 3.46Å; V1602-S1613 PolarHBondContact O-OG 3.45Å; S1613-D1615 VanDerWaalsContact C-N 3.28Å; S1613-D1615 PolarHBondContact O-N 3.44Å; S1613-K1616 CarbonylContact O-C 3.59Å; S1613-K1616 PolarHBondContact O-N 3.28Å; S1613-Y1617 PolarHBondContact O-N 3.23Å | ||
| 1614 | K | 88.3 | Confident | 88.1 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -60.9 | -35 | -172.4 | -177.4 | 174.8 | 175.5 | 154.5 | 0 | 112.7 | Y1601 N1612 K1616 Y1617 Y1649 D1655 | Y1601-K1614 HydrophobicContact CD2-CB 3.88Å; Y1601-K1614 HydrophobicContact CE1-CG 4.34Å; Y1601-K1614 HydrophobicContact CE2-CB 3.83Å; Y1601-K1614 HydrophobicContact CE2-CG 4.38Å; Y1601-K1614 HydrophobicContact CG-CB 4.28Å; N1612-K1614 WeakPolarHBondContact OD1-CB 3.38Å; N1612-K1614 PolarHBondContact OD1-N 2.94Å; K1614-K1616 PolarHBondContact O-N 3.24Å; K1614-K1616 VanDerWaalsContact O-N 3.13Å; K1614-Y1617 WeakPolarHBondContact O-CD1 3.5Å; K1614-Y1617 PolarHBondContact O-N 3.15Å; K1614-Y1649 HydrophobicContact CD-CD2 4.4Å; K1614-Y1649 HydrophobicContact CG-CD2 4.2Å; K1614-D1655 WeakPolarHBondContact CD-OD2 3.36Å; K1614-D1655 WeakPolarHBondContact CE-OD2 3.45Å; K1614-D1655 IonicContact NZ-OD1 2.68Å; K1614-D1655 PolarHBondContact NZ-OD1 3.21Å; K1614-D1655 IonicContact NZ-OD2 2.65Å; K1614-D1655 PolarHBondContact NZ-OD2 3.27Å |
| 1615 | D | 84.6 | Confident | 87.8 | Confident | 128 Ų | 128 | 60 Ų | 60 | 68% | 0.684 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -63.6 | -14.9 | 176.6 | 67.9 | -38.9 | 0 | 0 | 0 | 114 | S1613 | S1613-D1615 VanDerWaalsContact C-N 3.28Å; S1613-D1615 PolarHBondContact O-N 3.44Å |
| 1616 | K | 83 | Confident | 87.7 | Confident | 134 Ų | 134 | 58.7 Ų | 58.7 | 58% | 0.583 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -138.6 | 48.4 | -177.1 | -66 | 178.6 | -171.9 | -173.9 | 0 | 109.2 | S1613 K1614 | S1613-K1616 CarbonylContact O-C 3.59Å; S1613-K1616 PolarHBondContact O-N 3.28Å; K1614-K1616 PolarHBondContact O-N 3.24Å; K1614-K1616 VanDerWaalsContact O-N 3.13Å |
| 1617 | Y | 87.7 | Confident | 87.6 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | trans | -60.9 | 155.7 | 169.1 | 70.3 | -88.1 | 0 | 0 | 0 | 110.2 | D1599 S1613 K1614 P1619 Y1649 D1901 | D1599-Y1617 HydrophobicContact CB-CD2 3.72Å; D1599-Y1617 HydrophobicContact CB-CE2 4.08Å; S1613-Y1617 PolarHBondContact O-N 3.23Å; K1614-Y1617 WeakPolarHBondContact O-CD1 3.5Å; K1614-Y1617 PolarHBondContact O-N 3.15Å; Y1617-P1619 HydrophobicContact CD2-CB 4.36Å; Y1617-P1619 HydrophobicContact CE2-CB 3.94Å; Y1617-P1619 WeakPolarHBondContact O-CD 3.32Å; Y1617-Y1649 AromaticContact CD1-CD1 3.68Å; Y1617-Y1649 HydrophobicContact CD1-CD1 3.68Å; Y1617-Y1649 HydrophobicContact CD1-CE1 4.13Å; Y1617-Y1649 AromaticContact CD1-CG 3.97Å; Y1617-Y1649 HydrophobicContact CD1-CG 3.97Å; Y1617-Y1649 AromaticContact CD2-CD1 3.95Å; Y1617-Y1649 HydrophobicContact CD2-CD1 3.95Å; Y1617-Y1649 HydrophobicContact CD2-CG 4.41Å; Y1617-Y1649 AromaticContact CE1-CD1 3.44Å; Y1617-Y1649 HydrophobicContact CE1-CD1 3.44Å; Y1617-Y1649 VanDerWaalsContact CE1-CD1 3.44Å; Y1617-Y1649 AromaticContact CE1-CE1 3.51Å; Y1617-Y1649 HydrophobicContact CE1-CE1 3.51Å; Y1617-Y1649 HydrophobicContact CE1-CG 4.19Å; Y1617-Y1649 AromaticContact CE2-CD1 3.7Å; Y1617-Y1649 HydrophobicContact CE2-CD1 3.7Å; Y1617-Y1649 HydrophobicContact CE2-CE1 4.31Å; Y1617-Y1649 AromaticContact CG-CD1 3.93Å; Y1617-Y1649 HydrophobicContact CG-CD1 3.93Å; Y1617-Y1649 HydrophobicContact CG-CG 4.09Å; Y1617-Y1649 AromaticContact CZ-CD1 3.44Å; Y1617-Y1649 VanDerWaalsContact CZ-CD1 3.44Å; Y1617-Y1649 AromaticContact CZ-CE1 3.61Å; Y1617-D1901 PolarHBondContact OH-OD1 3.46Å; Y1617-D1901 VanDerWaalsContact OH-OD1 3.07Å; Y1617-D1901 PolarHBondContact OH-OD2 3.09Å | ||
| 1618 | L | 85.5 | Confident | 87.8 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | trans | -104.1 | 105.7 | 179.8 | -68.8 | 173.3 | 0 | 0 | 0 | 108.3 | D1599 P1600 T1621 P1624 F1626 | D1599-L1618 CarbonylContact C-O 3.56Å; D1599-L1618 WeakPolarHBondContact CA-O 3.39Å; P1600-L1618 WeakPolarHBondContact CD-O 3.17Å; P1600-L1618 PolarHBondContact O-N 2.6Å; P1600-L1618 VanDerWaalsContact O-N 3.07Å; L1618-T1621 HydrophobicContact CB-CG2 3.88Å; L1618-P1624 HydrophobicContact CB-CB 4.34Å; L1618-P1624 HydrophobicContact CD1-CB 3.48Å; L1618-P1624 VanDerWaalsContact CD1-CB 3.48Å; L1618-F1626 HydrophobicContact CD1-CD1 3.88Å; L1618-F1626 HydrophobicContact CD1-CE1 4.26Å | ||
| 1619 | P | 82.9 | Confident | 88.3 | Confident | 31 Ų | 31 | 54 Ų | 54 | 20% | 0.201 | 27% | 0.269 | C | S | . | . | trans | -69.3 | 141.1 | -172.1 | 26.5 | -34.2 | 0 | 0 | 0 | 111.5 | D1599 Y1617 D1901 | D1599-P1619 WeakPolarHBondContact OD1-CA 3.43Å; Y1617-P1619 HydrophobicContact CD2-CB 4.36Å; Y1617-P1619 HydrophobicContact CE2-CB 3.94Å; Y1617-P1619 WeakPolarHBondContact O-CD 3.32Å; P1619-D1901 HydrophobicContact CB-CB 3.8Å; P1619-D1901 HydrophobicContact CG-CB 3.98Å | ||
| 1620 | N | 80.6 | Confident | 88.5 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 54.9 | 58.9 | 166.1 | -70 | -69.4 | 0 | 0 | 0 | 112.7 | S1595 L1597 A1598 D1599 T1903 | S1595-N1620 WeakPolarHBondContact CB-OD1 3.36Å; S1595-N1620 PolarHBondContact OG-OD1 3.37Å; L1597-N1620 HydrophobicContact CB-CB 4.34Å; L1597-N1620 HydrophobicContact CD1-CB 3.41Å; L1597-N1620 VanDerWaalsContact CD1-CB 3.41Å; L1597-N1620 WeakPolarHBondContact CD1-O 3.34Å; L1597-N1620 HydrophobicContact CG-CB 4.4Å; A1598-N1620 CarbonylContact O-C 3.6Å; A1598-N1620 WeakPolarHBondContact O-CA 3.4Å; A1598-N1620 PolarHBondContact O-N 3.01Å; A1598-N1620 VanDerWaalsContact O-N 3.11Å; D1599-N1620 PolarHBondContact OD1-N 3.13Å; N1620-T1903 HydrophobicContact CB-CG2 4.1Å |
| 1621 | T | 83.8 | Confident | 88.6 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | trans | -152.5 | 134.8 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 114.1 | A1598 P1600 L1618 N1623 P1624 | A1598-T1621 PolarHBondContact O-N 3.11Å; P1600-T1621 VanDerWaalsContact CD-O 3.3Å; P1600-T1621 WeakPolarHBondContact CD-O 3.14Å; P1600-T1621 HydrophobicContact CG-CG2 3.96Å; P1600-T1621 WeakPolarHBondContact CG-O 3.34Å; L1618-T1621 HydrophobicContact CB-CG2 3.88Å; T1621-N1623 PolarHBondContact OG1-N 3.44Å; T1621-N1623 VanDerWaalsContact OG1-N 3.13Å; T1621-P1624 HydrophobicContact CG2-CB 3.9Å | ||
| 1622 | L | 85.7 | Confident | 88.7 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -92.4 | -7.4 | 168.7 | -55.5 | 179.5 | 0 | 0 | 0 | 113.1 | N253 D1588 L1589 P1591 L1597 A1598 P1624 | N253-L1622 HydrophobicContact CB-CD1 3.99Å; D1588-L1622 PolarHBondContact N-O 2.76Å; L1589-L1622 HydrophobicContact CB-CB 4.37Å; L1589-L1622 HydrophobicContact CB-CD2 4.44Å; L1589-L1622 WeakPolarHBondContact CB-O 3.35Å; L1589-L1622 PolarHBondContact N-O 3.35Å; L1589-L1622 WeakPolarHBondContact O-CD2 3.41Å; P1591-L1622 HydrophobicContact CG-CD1 3.94Å; P1591-L1622 HydrophobicContact CG-CD2 4.22Å; L1597-L1622 HydrophobicContact CD2-CG 4.06Å; A1598-L1622 HydrophobicContact CB-CD2 4.28Å; L1622-P1624 WeakPolarHBondContact O-CD 3.46Å |
| 1623 | N | 88.3 | Confident | 88.8 | Confident | 82 Ų | 82 | 48.6 Ų | 48.6 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -124.2 | 57.5 | -179.1 | -68.1 | -74.1 | 0 | 0 | 0 | 111 | A1586 I1587 D1588 T1621 E1625 | A1586-N1623 CarbonylContact O-C 3.55Å; A1586-N1623 WeakPolarHBondContact O-CA 3.4Å; I1587-N1623 WeakPolarHBondContact CA-OD1 3.48Å; D1588-N1623 PolarHBondContact N-OD1 3.43Å; T1621-N1623 PolarHBondContact OG1-N 3.44Å; T1621-N1623 VanDerWaalsContact OG1-N 3.13Å; N1623-E1625 PolarHBondContact O-N 3.38Å |
| 1624 | P | 92 | Very high | 89 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | trans | -67.6 | 127.6 | -175.2 | 26.9 | -35.9 | 0 | 0 | 0 | 112.7 | R1585 A1586 L1589 P1600 L1618 T1621 L1622 F1626 | R1585-P1624 CarbonylContact C-O 3.57Å; R1585-P1624 WeakPolarHBondContact CA-O 3.45Å; R1585-P1624 WeakPolarHBondContact CB-O 3.23Å; A1586-P1624 HydrophobicContact CB-CG 3.82Å; A1586-P1624 PolarHBondContact N-O 2.95Å; L1589-P1624 HydrophobicContact CD1-CG 3.65Å; P1600-P1624 HydrophobicContact CB-CB 4.47Å; P1600-P1624 HydrophobicContact CB-CG 4.04Å; P1600-P1624 HydrophobicContact CG-CB 3.66Å; P1600-P1624 HydrophobicContact CG-CG 3.55Å; L1618-P1624 HydrophobicContact CB-CB 4.34Å; L1618-P1624 HydrophobicContact CD1-CB 3.48Å; L1618-P1624 VanDerWaalsContact CD1-CB 3.48Å; T1621-P1624 HydrophobicContact CG2-CB 3.9Å; L1622-P1624 WeakPolarHBondContact O-CD 3.46Å; P1624-F1626 HydrophobicContact CB-CD1 4.26Å; P1624-F1626 HydrophobicContact CB-CD2 4.45Å; P1624-F1626 HydrophobicContact CB-CE1 3.8Å; P1624-F1626 HydrophobicContact CB-CE2 4.05Å; P1624-F1626 HydrophobicContact CB-CZ 3.71Å; P1624-F1626 HydrophobicContact CG-CD2 4.37Å; P1624-F1626 HydrophobicContact CG-CE1 3.97Å; P1624-F1626 HydrophobicContact CG-CE2 3.59Å; P1624-F1626 HydrophobicContact CG-CZ 3.35Å; P1624-F1626 PolarHBondContact O-N 2.84Å | ||
| 1625 | E | 89.3 | Confident | 89.2 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | trans | -87.7 | 89.3 | 163.9 | -68.3 | -175.5 | 156.2 | 0 | 0 | 109.4 | W1477 R1585 N1623 R1906 | W1477-E1625 HydrophobicContact CH2-CG 4.49Å; R1585-E1625 HydrophobicContact CB-CG 4.3Å; N1623-E1625 PolarHBondContact O-N 3.38Å; E1625-R1906 IonicContact OE2-CZ 2.7Å; E1625-R1906 IonicContact OE2-NH1 2.94Å; E1625-R1906 IonicContact OE2-NH2 2.97Å; E1625-R1906 PolarHBondContact OE2-NH2 3.48Å | ||
| 1626 | F | 92.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | trans | -66.8 | -49.4 | -179.4 | -60.3 | -69.9 | 0 | 0 | 0 | 112.3 | I1583 I1584 A1586 P1600 V1602 L1618 P1624 K1628 V1646 L1789 | I1583-F1626 HydrophobicContact CG2-CB 4.24Å; I1583-F1626 HydrophobicContact CG2-CD2 3.65Å; I1583-F1626 HydrophobicContact CG2-CE2 4.34Å; I1583-F1626 HydrophobicContact CG2-CG 4.21Å; I1584-F1626 PolarHBondContact O-N 3.02Å; A1586-F1626 HydrophobicContact CB-CE2 3.9Å; P1600-F1626 HydrophobicContact CB-CE1 4.26Å; P1600-F1626 HydrophobicContact CB-CZ 4.09Å; V1602-F1626 HydrophobicContact CG2-CD1 3.74Å; V1602-F1626 HydrophobicContact CG2-CD2 3.79Å; V1602-F1626 HydrophobicContact CG2-CE1 3.61Å; V1602-F1626 HydrophobicContact CG2-CE2 3.63Å; V1602-F1626 HydrophobicContact CG2-CG 3.81Å; V1602-F1626 HydrophobicContact CG2-CZ 3.53Å; L1618-F1626 HydrophobicContact CD1-CD1 3.88Å; L1618-F1626 HydrophobicContact CD1-CE1 4.26Å; P1624-F1626 HydrophobicContact CB-CD1 4.26Å; P1624-F1626 HydrophobicContact CB-CD2 4.45Å; P1624-F1626 HydrophobicContact CB-CE1 3.8Å; P1624-F1626 HydrophobicContact CB-CE2 4.05Å; P1624-F1626 HydrophobicContact CB-CZ 3.71Å; P1624-F1626 HydrophobicContact CG-CD2 4.37Å; P1624-F1626 HydrophobicContact CG-CE1 3.97Å; P1624-F1626 HydrophobicContact CG-CE2 3.59Å; P1624-F1626 HydrophobicContact CG-CZ 3.35Å; P1624-F1626 PolarHBondContact O-N 2.84Å; F1626-K1628 WeakPolarHBondContact O-CG 3.37Å; F1626-K1628 PolarHBondContact O-N 2.98Å; F1626-V1646 HydrophobicContact CZ-CG1 4.2Å; F1626-L1789 HydrophobicContact CE2-CD1 4.17Å | ||
| 1627 | G | 90.6 | Very high | 90 | Very high | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | trans | 53.4 | 46.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1583 I1584 I1809 | I1583-G1627 PolarHBondContact O-N 2.49Å; I1584-G1627 PolarHBondContact O-N 3.02Å; G1627-I1809 CarbonylContact C-O 3.56Å; G1627-I1809 WeakPolarHBondContact CA-O 3.25Å; G1627-I1809 CarbonylContact O-C 3.6Å | ||
| 1628 | K | 92 | Very high | 90.1 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.2 | -175.9 | -71.6 | -171.4 | -179 | 170.6 | 0 | 113.1 | I1583 F1626 F1630 | I1583-K1628 PolarHBondContact N-O 2.78Å; I1583-K1628 PolarHBondContact O-N 3.2Å; F1626-K1628 WeakPolarHBondContact O-CG 3.37Å; F1626-K1628 PolarHBondContact O-N 2.98Å; K1628-F1630 HydrophobicContact CB-CD2 4.47Å; K1628-F1630 HydrophobicContact CB-CE2 3.82Å; K1628-F1630 HydrophobicContact CB-CZ 4.16Å; K1628-F1630 HydrophobicContact CD-CZ 4.31Å |
| 1629 | M | 93.6 | Very high | 90.4 | Very high | 63 Ų | 63 | 37 Ų | 37 | 31% | 0.31 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128 | 170.3 | -178.3 | -80.1 | -61.5 | 0 | 0 | 109.4 | R1580 V1581 Y1582 Q1631 P1806 | R1580-M1629 HydrophobicContact CB-CG 4.47Å; R1580-M1629 HydrophobicContact CB-SD 4.31Å; R1580-M1629 HydrophobicContact CG-SD 4.19Å; V1581-M1629 WeakPolarHBondContact O-CA 3.1Å; Y1582-M1629 HydrophobicContact CD1-CB 3.72Å; Y1582-M1629 HydrophobicContact CD1-CG 3.63Å; Y1582-M1629 HydrophobicContact CD2-CG 4.35Å; Y1582-M1629 HydrophobicContact CE1-CB 3.82Å; Y1582-M1629 HydrophobicContact CE1-CG 3.37Å; Y1582-M1629 HydrophobicContact CE2-CG 4.13Å; Y1582-M1629 HydrophobicContact CG-CB 4.41Å; Y1582-M1629 HydrophobicContact CG-CG 4.13Å; M1629-Q1631 HydrophobicContact SD-CB 3.81Å; M1629-P1806 HydrophobicContact CE-CB 3.85Å; M1629-P1806 HydrophobicContact CE-CG 3.96Å |
| 1630 | F | 93.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124 | 175.5 | -59.5 | -94.8 | 0 | 0 | 0 | 109.2 | R1580 V1581 I1583 I1604 V1611 K1628 M1632 | R1580-F1630 CarbonylContact C-O 3.55Å; R1580-F1630 WeakPolarHBondContact CA-O 3.49Å; V1581-F1630 PolarHBondContact N-O 3.36Å; V1581-F1630 PolarHBondContact O-N 3.03Å; I1583-F1630 HydrophobicContact CG1-CD2 4.3Å; I1583-F1630 HydrophobicContact CG1-CE2 4.07Å; I1604-F1630 HydrophobicContact CD1-CB 3.81Å; I1604-F1630 HydrophobicContact CD1-CD1 4.29Å; I1604-F1630 HydrophobicContact CD1-CD2 3.2Å; I1604-F1630 HydrophobicContact CD1-CE2 3.7Å; I1604-F1630 HydrophobicContact CD1-CG 3.52Å; I1604-F1630 HydrophobicContact CD1-CZ 4.42Å; I1604-F1630 HydrophobicContact CG1-CD2 4.28Å; I1604-F1630 HydrophobicContact CG1-CE2 4.44Å; I1604-F1630 HydrophobicContact CG1-CG 4.46Å; V1611-F1630 HydrophobicContact CB-CD1 4.29Å; V1611-F1630 HydrophobicContact CG1-CD1 3.73Å; V1611-F1630 HydrophobicContact CG1-CE1 4.06Å; K1628-F1630 HydrophobicContact CB-CD2 4.47Å; K1628-F1630 HydrophobicContact CB-CE2 3.82Å; K1628-F1630 HydrophobicContact CB-CZ 4.16Å; K1628-F1630 HydrophobicContact CD-CZ 4.31Å; F1630-M1632 HydrophobicContact CB-CE 4.01Å |
| 1631 | Q | 93.5 | Very high | 91.4 | Very high | 88 Ų | 88 | 38 Ų | 38 | 41% | 0.411 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.8 | 177.7 | -174.3 | 169.5 | -39.3 | 0 | 0 | 110.3 | M1578 L1579 R1580 M1629 | M1578-Q1631 HydrophobicContact CG-CG 3.92Å; M1578-Q1631 HydrophobicContact SD-CG 3.49Å; M1578-Q1631 WeakPolarHBondContact SD-CG 3.22Å; M1578-Q1631 PolarHBondContact SD-NE2 3.1Å; L1579-Q1631 VanDerWaalsContact O-CA 3.32Å; L1579-Q1631 WeakPolarHBondContact O-CA 3.42Å; R1580-Q1631 HydrophobicContact CG-CB 4.37Å; R1580-Q1631 HydrophobicContact CG-CG 4.11Å; M1629-Q1631 HydrophobicContact SD-CB 3.81Å |
| 1632 | M | 93.4 | Very high | 92 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 161.5 | 179.7 | 63.8 | -167.4 | 75.4 | 0 | 0 | 111.2 | L1579 I1604 V1606 H1609 V1611 F1630 | L1579-M1632 HydrophobicContact CB-CG 4.24Å; L1579-M1632 HydrophobicContact CD1-CG 4.4Å; L1579-M1632 PolarHBondContact N-O 2.82Å; L1579-M1632 PolarHBondContact O-N 3.46Å; I1604-M1632 HydrophobicContact CB-CE 4.13Å; I1604-M1632 HydrophobicContact CG2-CE 3.67Å; I1604-M1632 HydrophobicContact CG2-SD 4.25Å; V1606-M1632 HydrophobicContact CB-SD 4.13Å; V1606-M1632 HydrophobicContact CG1-SD 4.43Å; H1609-M1632 HydrophobicContact CB-SD 4.34Å; V1611-M1632 HydrophobicContact CB-CE 4.48Å; V1611-M1632 HydrophobicContact CG2-CE 4.22Å; F1630-M1632 HydrophobicContact CB-CE 4.01Å |
| 1633 | K | 93.2 | Very high | 92.4 | Very high | 91 Ų | 91 | 37.8 Ų | 37.8 | 40% | 0.396 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 146.6 | 175.4 | -71.6 | 171.5 | 154.3 | -139.2 | 0 | 109.5 | E1576 C1577 M1578 H1609 | E1576-K1633 VanDerWaalsContact OE1-CD 3.32Å; E1576-K1633 WeakPolarHBondContact OE1-CD 3.39Å; E1576-K1633 WeakPolarHBondContact OE1-CE 3.34Å; E1576-K1633 IonicContact OE1-NZ 2.7Å; E1576-K1633 PolarHBondContact OE1-NZ 2.99Å; C1577-K1633 CarbonylContact O-C 3.59Å; C1577-K1633 WeakPolarHBondContact O-CA 3.21Å; M1578-K1633 HydrophobicContact CE-CD 4.25Å; M1578-K1633 HydrophobicContact CE-CG 3.75Å; M1578-K1633 HydrophobicContact SD-CG 3.85Å; H1609-K1633 PolarHBondContact CD2-O 2.89Å; H1609-K1633 PolarHBondContact NE2-O 3.47Å |
| 1634 | C | 93.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.1 | 173 | 74.4 | 0 | 0 | 0 | 0 | 110.7 | E1576 C1577 L1579 V1606 E1639 | E1576-C1634 WeakPolarHBondContact CA-O 3.36Å; C1577-C1634 PolarHBondContact N-O 3.29Å; C1577-C1634 PolarHBondContact O-N 2.91Å; L1579-C1634 HydrophobicContact CD1-CB 3.83Å; L1579-C1634 VanDerWaalsContact CD1-SG 3.5Å; L1579-C1634 HydrophobicContact CG-CB 4.34Å; L1579-C1634 VanDerWaalsContact CG-SG 3.57Å; V1606-C1634 HydrophobicContact CG1-CB 3.42Å; V1606-C1634 VanDerWaalsContact CG1-CB 3.42Å; C1634-E1639 VanDerWaalsContact CA-OE2 3.27Å; C1634-E1639 WeakPolarHBondContact CA-OE2 3.4Å; C1634-E1639 HydrophobicContact CB-CB 4.29Å |
| 1635 | I | 94.5 | Very high | 92.9 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 36% | 0.359 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 106.1 | 173.5 | -55.9 | 174.3 | 0 | 0 | 0 | 108.8 | P1574 I1638 E1639 | P1574-I1635 HydrophobicContact CB-CG2 3.66Å; I1635-I1638 HydrophobicContact CB-CD1 4.45Å; I1635-I1638 HydrophobicContact CG2-CD1 3.75Å; I1635-I1638 HydrophobicContact CG2-CG1 4.22Å; I1635-I1638 WeakPolarHBondContact O-CA 3.45Å; I1635-I1638 WeakPolarHBondContact O-CB 3.49Å; I1635-I1638 PolarHBondContact O-N 2.95Å; I1635-E1639 PolarHBondContact N-OE2 3.36Å; I1635-E1639 PolarHBondContact O-N 3.47Å |
| 1636 | L | 92.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 138.5 | 176.1 | -61.6 | -178.8 | 0 | 0 | 0 | 110.1 | P1574 E1575 C1577 K1640 L1665 R1669 I1795 | P1574-L1636 CarbonylContact C-O 3.58Å; P1574-L1636 VanDerWaalsContact CA-O 3.23Å; P1574-L1636 WeakPolarHBondContact CA-O 3.39Å; E1575-L1636 PolarHBondContact N-O 2.82Å; E1575-L1636 PolarHBondContact O-N 2.93Å; C1577-L1636 HydrophobicContact CB-CD1 4.45Å; L1636-K1640 HydrophobicContact CD2-CB 4.4Å; L1636-L1665 HydrophobicContact CD1-CB 4.27Å; L1636-L1665 HydrophobicContact CD2-CB 3.75Å; L1636-L1665 HydrophobicContact CD2-CD1 4.29Å; L1636-R1669 HydrophobicContact CD1-CB 3.92Å; L1636-R1669 HydrophobicContact CD1-CG 4.14Å; L1636-I1795 HydrophobicContact CD1-CG2 4.33Å |
| 1637 | P | 91.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 33 Ų | 33 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -96 | 13.2 | 3.6 | 38.8 | -37.1 | 0 | 0 | 0 | 114.3 | R1327 P1363 E1639 K1640 E1666 | R1327-P1637 VanDerWaalsContact NH2-CG 3.32Å; P1363-P1637 HydrophobicContact CG-CG 3.77Å; P1637-E1639 VanDerWaalsContact C-N 3.3Å; P1637-E1639 PolarHBondContact O-N 2.84Å; P1637-K1640 WeakPolarHBondContact O-CB 3.49Å; P1637-E1666 HydrophobicContact CB-CB 4.2Å; P1637-E1666 HydrophobicContact CB-CG 3.99Å; P1637-E1666 WeakPolarHBondContact CB-OE1 3.37Å; P1637-E1666 WeakPolarHBondContact CB-OE2 3.39Å |
| 1638 | I | 90.3 | Very high | 93.3 | Very high | 69 Ų | 69 | 32.8 Ų | 32.8 | 35% | 0.354 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -41.7 | -178.2 | -55.7 | 176.3 | 0 | 0 | 0 | 110.6 | K1361 P1574 I1635 | K1361-I1638 VanDerWaalsContact O-CD1 3.29Å; K1361-I1638 WeakPolarHBondContact O-CD1 3.11Å; P1574-I1638 HydrophobicContact CB-CD1 4.24Å; P1574-I1638 HydrophobicContact CG-CD1 4.33Å; I1635-I1638 HydrophobicContact CB-CD1 4.45Å; I1635-I1638 HydrophobicContact CG2-CD1 3.75Å; I1635-I1638 HydrophobicContact CG2-CG1 4.22Å; I1635-I1638 WeakPolarHBondContact O-CA 3.45Å; I1635-I1638 WeakPolarHBondContact O-CB 3.49Å; I1635-I1638 PolarHBondContact O-N 2.95Å |
| 1639 | E | 92.1 | Very high | 93.1 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 51.3 | -178.6 | -56.7 | 178.4 | 135.4 | 0 | 0 | 109.8 | V1606 Q1608 C1634 I1635 P1637 | V1606-E1639 HydrophobicContact CG1-CB 4.37Å; Q1608-E1639 PolarHBondContact N-OE1 3.02Å; C1634-E1639 VanDerWaalsContact CA-OE2 3.27Å; C1634-E1639 WeakPolarHBondContact CA-OE2 3.4Å; C1634-E1639 HydrophobicContact CB-CB 4.29Å; I1635-E1639 PolarHBondContact N-OE2 3.36Å; I1635-E1639 PolarHBondContact O-N 3.47Å; P1637-E1639 VanDerWaalsContact C-N 3.3Å; P1637-E1639 PolarHBondContact O-N 2.84Å |
| 1640 | K | 91.4 | Very high | 92.6 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | trans | -74.7 | -22.2 | -173.3 | 67.6 | 158.6 | -164.4 | 155.2 | 0 | 115 | R1327 E1542 L1636 P1637 D1664 L1665 E1666 | R1327-K1640 HydrophobicContact CG-CD 4.42Å; E1542-K1640 IonicContact OE2-NZ 2.7Å; E1542-K1640 PolarHBondContact OE2-NZ 3.46Å; L1636-K1640 HydrophobicContact CD2-CB 4.4Å; P1637-K1640 WeakPolarHBondContact O-CB 3.49Å; K1640-D1664 IonicContact NZ-OD2 3.34Å; K1640-D1664 PolarHBondContact NZ-OD2 3.4Å; K1640-L1665 WeakPolarHBondContact O-CB 3.31Å; K1640-L1665 PolarHBondContact O-N 2.95Å; K1640-E1666 HydrophobicContact CB-CB 3.9Å; K1640-E1666 HydrophobicContact CD-CB 4.47Å | ||
| 1641 | E | 91.9 | Very high | 91.8 | Very high | 79 Ų | 79 | 34.7 Ų | 34.7 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.8 | -175.7 | -67.7 | -178 | -163.3 | 0 | 0 | 109.9 | V1606 H1643 | V1606-E1641 WeakPolarHBondContact CG2-O 3.25Å; E1641-H1643 IonicContact OE2-CE1 3.31Å; E1641-H1643 PolarHBondContact OE2-CE1 3.38Å; E1641-H1643 IonicContact OE2-NE2 3.71Å |
| 1642 | L | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 109.2 | 169.7 | 173 | 67.5 | 0 | 0 | 0 | 109.3 | V1581 I1604 V1606 V1644 D1662 I1663 L1665 V1793 | V1581-L1642 HydrophobicContact CG1-CD2 4.5Å; V1581-L1642 HydrophobicContact CG2-CD1 4.12Å; V1581-L1642 HydrophobicContact CG2-CD2 3.81Å; I1604-L1642 HydrophobicContact CG2-CD1 3.4Å; I1604-L1642 VanDerWaalsContact CG2-CD1 3.4Å; V1606-L1642 HydrophobicContact CB-CD1 4.44Å; V1606-L1642 HydrophobicContact CG2-CB 3.79Å; V1606-L1642 HydrophobicContact CG2-CD1 3.55Å; V1606-L1642 HydrophobicContact CG2-CG 4.29Å; L1642-V1644 HydrophobicContact CD1-CG2 4.48Å; L1642-V1644 HydrophobicContact CD2-CG2 4.37Å; L1642-V1644 HydrophobicContact CG-CG2 4.06Å; L1642-D1662 CarbonylContact O-C 3.58Å; L1642-D1662 WeakPolarHBondContact O-CA 3.37Å; L1642-I1663 HydrophobicContact CB-CB 4.27Å; L1642-I1663 HydrophobicContact CD2-CB 4.48Å; L1642-I1663 HydrophobicContact CD2-CD1 4.19Å; L1642-I1663 PolarHBondContact N-O 3.06Å; L1642-I1663 PolarHBondContact O-N 3.43Å; L1642-L1665 HydrophobicContact CB-CD1 3.9Å; L1642-L1665 HydrophobicContact CB-CD2 4.07Å; L1642-L1665 HydrophobicContact CB-CG 3.88Å; L1642-L1665 HydrophobicContact CD2-CD2 4.01Å; L1642-V1793 HydrophobicContact CD2-CG1 4.26Å; L1642-V1793 HydrophobicContact CD2-CG2 3.69Å |
| 1643 | H | 94.4 | Very high | 89.9 | Confident | 47 Ų | 47 | 39.6 Ų | 39.6 | 22% | 0.218 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.8 | 174.1 | -50.7 | -73.7 | 0 | 0 | 0 | 108.9 | I1604 I1605 E1641 I1645 D1662 | I1604-H1643 WeakPolarHBondContact CA-O 3.21Å; I1605-H1643 HydrophobicContact CB-CB 4.21Å; I1605-H1643 PolarHBondContact N-O 2.89Å; I1605-H1643 PolarHBondContact O-N 2.87Å; E1641-H1643 IonicContact OE2-CE1 3.31Å; E1641-H1643 PolarHBondContact OE2-CE1 3.38Å; E1641-H1643 IonicContact OE2-NE2 3.71Å; H1643-I1645 HydrophobicContact CB-CG1 4.44Å; H1643-D1662 IonicContact CE1-OD1 3.84Å; H1643-D1662 IonicContact CG-OD1 2.92Å; H1643-D1662 IonicContact ND1-OD1 3.75Å; H1643-D1662 PolarHBondContact ND1-OD1 2.89Å |
| 1644 | V | 96.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 112.7 | 173 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | I1583 V1602 L1642 Q1660 T1661 L1789 M1791 | I1583-V1644 HydrophobicContact CD1-CG1 3.89Å; V1602-V1644 HydrophobicContact CG1-CG1 3.98Å; L1642-V1644 HydrophobicContact CD1-CG2 4.48Å; L1642-V1644 HydrophobicContact CD2-CG2 4.37Å; L1642-V1644 HydrophobicContact CG-CG2 4.06Å; V1644-Q1660 VanDerWaalsContact O-CA 3.3Å; V1644-Q1660 WeakPolarHBondContact O-CA 3.42Å; V1644-T1661 HydrophobicContact CB-CG2 4.1Å; V1644-T1661 PolarHBondContact N-O 2.62Å; V1644-T1661 PolarHBondContact O-N 3.49Å; V1644-L1789 HydrophobicContact CB-CD2 4.42Å; V1644-L1789 HydrophobicContact CG1-CD2 3.48Å; V1644-L1789 VanDerWaalsContact CG1-CD2 3.48Å; V1644-M1791 HydrophobicContact CG1-SD 4.4Å; V1644-M1791 HydrophobicContact CG2-CE 3.99Å; V1644-M1791 HydrophobicContact CG2-SD 4.18Å |
| 1645 | I | 95 | Very high | 89 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129 | -172.5 | -48.3 | 176.6 | 0 | 0 | 0 | 108.1 | V1602 E1603 I1605 H1643 K1647 I1657 Q1660 | V1602-I1645 WeakPolarHBondContact CA-O 3.25Å; E1603-I1645 HydrophobicContact CB-CB 4.36Å; E1603-I1645 PolarHBondContact N-O 3.16Å; E1603-I1645 PolarHBondContact O-N 2.69Å; I1605-I1645 HydrophobicContact CD1-CD1 3.75Å; I1605-I1645 HydrophobicContact CG1-CD1 4.46Å; H1643-I1645 HydrophobicContact CB-CG1 4.44Å; I1645-K1647 HydrophobicContact CG2-CD 4.48Å; I1645-K1647 HydrophobicContact CG2-CG 3.88Å; I1645-I1657 HydrophobicContact CG2-CG1 4.23Å; I1645-I1657 HydrophobicContact CG2-CG2 3.79Å; I1645-Q1660 HydrophobicContact CB-CB 4.35Å; I1645-Q1660 HydrophobicContact CG1-CB 3.97Å; I1645-Q1660 HydrophobicContact CG2-CB 4.28Å |
| 1646 | V | 95.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.2 | 169.5 | -171.7 | 0 | 0 | 0 | 0 | 107.7 | L1589 P1600 F1626 I1658 G1659 L1776 L1789 | L1589-V1646 HydrophobicContact CD1-CG1 3.8Å; L1589-V1646 HydrophobicContact CD2-CG1 4.18Å; P1600-V1646 HydrophobicContact CB-CG1 4.06Å; F1626-V1646 HydrophobicContact CZ-CG1 4.2Å; V1646-I1658 HydrophobicContact CG1-CD1 4.21Å; V1646-I1658 WeakPolarHBondContact O-CB 3.37Å; V1646-I1658 PolarHBondContact O-N 3.21Å; V1646-G1659 PolarHBondContact N-O 3.25Å; V1646-G1659 PolarHBondContact O-N 2.7Å; V1646-L1776 HydrophobicContact CB-CD1 4.25Å; V1646-L1776 HydrophobicContact CG2-CD1 3.72Å; V1646-L1776 HydrophobicContact CG2-CD2 4.33Å; V1646-L1789 HydrophobicContact CG2-CD1 4.31Å; V1646-L1789 HydrophobicContact CG2-CD2 4.48Å |
| 1647 | K | 93.3 | Very high | 88.4 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 12% | 0.122 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 150.5 | -176.1 | -72.1 | -174.8 | 167.1 | 178.3 | 0 | 111.3 | P1600 Y1601 E1603 I1645 D1656 I1657 | P1600-K1647 CarbonylContact C-O 3.59Å; P1600-K1647 VanDerWaalsContact CA-O 3.25Å; P1600-K1647 WeakPolarHBondContact CA-O 3.5Å; Y1601-K1647 HydrophobicContact CD1-CB 4.14Å; Y1601-K1647 WeakPolarHBondContact CD1-O 3.42Å; Y1601-K1647 HydrophobicContact CE1-CB 3.5Å; Y1601-K1647 HydrophobicContact CE2-CB 4.09Å; Y1601-K1647 HydrophobicContact CE2-CD 4.3Å; Y1601-K1647 VanDerWaalsContact CZ-CB 3.47Å; Y1601-K1647 PolarHBondContact N-O 3.36Å; Y1601-K1647 PolarHBondContact O-N 2.69Å; Y1601-K1647 WeakPolarHBondContact OH-CD 3.38Å; E1603-K1647 WeakPolarHBondContact OE1-CE 3.25Å; E1603-K1647 IonicContact OE1-NZ 3.35Å; E1603-K1647 PolarHBondContact OE1-NZ 3.2Å; E1603-K1647 IonicContact OE2-NZ 2.95Å; I1645-K1647 HydrophobicContact CG2-CD 4.48Å; I1645-K1647 HydrophobicContact CG2-CG 3.88Å; K1647-D1656 CarbonylContact C-O 3.49Å; K1647-D1656 WeakPolarHBondContact CA-O 3.38Å; K1647-D1656 WeakPolarHBondContact CB-O 3.27Å; K1647-I1657 HydrophobicContact CD-CG1 4.46Å; K1647-I1657 HydrophobicContact CG-CG1 4.18Å |
| 1648 | D | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 138.5 | 172.1 | -163.7 | 10.4 | 0 | 0 | 0 | 110.3 | S1592 D1593 D1599 D1655 D1656 I1658 | S1592-D1648 VanDerWaalsContact C-OD2 3.22Å; S1592-D1648 WeakPolarHBondContact CB-OD2 3.39Å; D1593-D1648 WeakPolarHBondContact CB-OD2 3.45Å; D1593-D1648 PolarHBondContact N-OD2 3.02Å; D1599-D1648 WeakPolarHBondContact CA-OD1 3.25Å; D1599-D1648 WeakPolarHBondContact CB-OD1 3.24Å; D1599-D1648 PolarHBondContact N-OD1 2.83Å; D1648-D1655 WeakPolarHBondContact O-CA 3.33Å; D1648-D1655 WeakPolarHBondContact O-CB 3.11Å; D1648-D1656 HydrophobicContact CB-CB 4.37Å; D1648-D1656 PolarHBondContact N-O 2.9Å; D1648-D1656 PolarHBondContact O-N 3.48Å; D1648-I1658 HydrophobicContact CB-CD1 4.06Å; D1648-I1658 HydrophobicContact CB-CG1 4.01Å |
| 1649 | Y | 88.7 | Confident | 88.3 | Confident | 59 Ų | 59 | 40.6 Ų | 40.6 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | trans | -94.5 | 111.9 | -180 | 170.2 | -107.6 | 0 | 0 | 0 | 111.3 | D1599 K1614 Y1617 | D1599-Y1649 PolarHBondContact O-N 2.83Å; D1599-Y1649 VanDerWaalsContact O-N 3.16Å; K1614-Y1649 HydrophobicContact CD-CD2 4.4Å; K1614-Y1649 HydrophobicContact CG-CD2 4.2Å; Y1617-Y1649 AromaticContact CD1-CD1 3.68Å; Y1617-Y1649 HydrophobicContact CD1-CD1 3.68Å; Y1617-Y1649 HydrophobicContact CD1-CE1 4.13Å; Y1617-Y1649 AromaticContact CD1-CG 3.97Å; Y1617-Y1649 HydrophobicContact CD1-CG 3.97Å; Y1617-Y1649 AromaticContact CD2-CD1 3.95Å; Y1617-Y1649 HydrophobicContact CD2-CD1 3.95Å; Y1617-Y1649 HydrophobicContact CD2-CG 4.41Å; Y1617-Y1649 AromaticContact CE1-CD1 3.44Å; Y1617-Y1649 HydrophobicContact CE1-CD1 3.44Å; Y1617-Y1649 VanDerWaalsContact CE1-CD1 3.44Å; Y1617-Y1649 AromaticContact CE1-CE1 3.51Å; Y1617-Y1649 HydrophobicContact CE1-CE1 3.51Å; Y1617-Y1649 HydrophobicContact CE1-CG 4.19Å; Y1617-Y1649 AromaticContact CE2-CD1 3.7Å; Y1617-Y1649 HydrophobicContact CE2-CD1 3.7Å; Y1617-Y1649 HydrophobicContact CE2-CE1 4.31Å; Y1617-Y1649 AromaticContact CG-CD1 3.93Å; Y1617-Y1649 HydrophobicContact CG-CD1 3.93Å; Y1617-Y1649 HydrophobicContact CG-CG 4.09Å; Y1617-Y1649 AromaticContact CZ-CD1 3.44Å; Y1617-Y1649 VanDerWaalsContact CZ-CD1 3.44Å; Y1617-Y1649 AromaticContact CZ-CE1 3.61Å | ||
| 1650 | D | 83.5 | Confident | 88.3 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 17% | 0.171 | 25% | 0.251 | C | S | . | . | trans | -97.8 | 125.1 | 174.5 | -65.2 | -69.8 | 0 | 0 | 0 | 111.8 | V1652 D1656 | D1650-V1652 PolarHBondContact O-N 2.98Å; D1650-D1656 PolarHBondContact OD2-N 2.79Å | ||
| 1651 | A | 76.8 | Confident | 88.5 | Confident | 76 Ų | 76 | 41.3 Ų | 41.3 | 63% | 0.628 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -63.4 | -26.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1652 | V | 72.2 | Confident | 88.5 | Confident | 139 Ų | 139 | 41 Ų | 41 | 84% | 0.842 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -136.5 | 105.2 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | D1650 | D1650-V1652 PolarHBondContact O-N 2.98Š|
| 1653 | G | 74.5 | Confident | 88.4 | Confident | 65 Ų | 65 | 41.1 Ų | 41.1 | 67% | 0.67 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 136.4 | -163.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1654 | A | 81.3 | Confident | 88.3 | Confident | 86 Ų | 86 | 40.7 Ų | 40.7 | 71% | 0.711 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 127.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | D1656 | A1654-D1656 PolarHBondContact O-N 2.74Š|
| 1655 | D | 87.4 | Confident | 88.2 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 17% | 0.171 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -48.3 | 126.7 | 177.1 | -51.1 | -9.1 | 0 | 0 | 0 | 112.9 | Y1601 K1614 D1648 | Y1601-D1655 HydrophobicContact CE1-CB 4.3Å; Y1601-D1655 PolarHBondContact OH-OD2 3.31Å; K1614-D1655 WeakPolarHBondContact CD-OD2 3.36Å; K1614-D1655 WeakPolarHBondContact CE-OD2 3.45Å; K1614-D1655 IonicContact NZ-OD1 2.68Å; K1614-D1655 PolarHBondContact NZ-OD1 3.21Å; K1614-D1655 IonicContact NZ-OD2 2.65Å; K1614-D1655 PolarHBondContact NZ-OD2 3.27Å; D1648-D1655 WeakPolarHBondContact O-CA 3.33Å; D1648-D1655 WeakPolarHBondContact O-CB 3.11Å |
| 1656 | D | 85 | Confident | 88.1 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 142.6 | -179.4 | -79.2 | -33.5 | 0 | 0 | 0 | 113.4 | K1647 D1648 D1650 A1654 I1658 | K1647-D1656 CarbonylContact C-O 3.49Å; K1647-D1656 WeakPolarHBondContact CA-O 3.38Å; K1647-D1656 WeakPolarHBondContact CB-O 3.27Å; D1648-D1656 HydrophobicContact CB-CB 4.37Å; D1648-D1656 PolarHBondContact N-O 2.9Å; D1648-D1656 PolarHBondContact O-N 3.48Å; D1650-D1656 PolarHBondContact OD2-N 2.79Å; A1654-D1656 PolarHBondContact O-N 2.74Å; D1656-I1658 PolarHBondContact O-N 2.89Å |
| 1657 | I | 88.9 | Confident | 87.9 | Confident | 66 Ų | 66 | 41.4 Ų | 41.4 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 107.4 | 173.4 | -63.3 | 170.4 | 0 | 0 | 0 | 108.7 | I1645 K1647 | I1645-I1657 HydrophobicContact CG2-CG1 4.23Å; I1645-I1657 HydrophobicContact CG2-CG2 3.79Å; K1647-I1657 HydrophobicContact CD-CG1 4.46Å; K1647-I1657 HydrophobicContact CG-CG1 4.18Å |
| 1658 | I | 87.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -52 | 172.5 | -53.1 | -178.9 | 0 | 0 | 0 | 109 | L1589 Q1590 A1598 P1600 V1646 D1648 D1656 Q1786 | L1589-I1658 HydrophobicContact CB-CG2 4.25Å; L1589-I1658 HydrophobicContact CD1-CD1 4.32Å; L1589-I1658 HydrophobicContact CD2-CG2 4.24Å; Q1590-I1658 HydrophobicContact CB-CG2 4.08Å; Q1590-I1658 WeakPolarHBondContact O-CG2 3.46Å; A1598-I1658 HydrophobicContact CB-CD1 3.58Å; P1600-I1658 HydrophobicContact CB-CD1 4.24Å; V1646-I1658 HydrophobicContact CG1-CD1 4.21Å; V1646-I1658 WeakPolarHBondContact O-CB 3.37Å; V1646-I1658 PolarHBondContact O-N 3.21Å; D1648-I1658 HydrophobicContact CB-CD1 4.06Å; D1648-I1658 HydrophobicContact CB-CG1 4.01Å; D1656-I1658 PolarHBondContact O-N 2.89Å; I1658-Q1786 WeakPolarHBondContact O-CB 3.4Å; I1658-Q1786 VanDerWaalsContact O-CG 3.27Å; I1658-Q1786 WeakPolarHBondContact O-CG 3.47Å |
| 1659 | G | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | 163.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1646 Y1777 | V1646-G1659 PolarHBondContact N-O 3.25Å; V1646-G1659 PolarHBondContact O-N 2.7Å; G1659-Y1777 CarbonylContact C-O 3.57Å; G1659-Y1777 WeakPolarHBondContact CA-O 3.4Å |
| 1660 | Q | 93.4 | Very high | 87.9 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 23% | 0.229 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 157.7 | -178.5 | 65.9 | 179.8 | 41.2 | 0 | 0 | 112.6 | V1644 I1645 Y1777 | V1644-Q1660 VanDerWaalsContact O-CA 3.3Å; V1644-Q1660 WeakPolarHBondContact O-CA 3.42Å; I1645-Q1660 HydrophobicContact CB-CB 4.35Å; I1645-Q1660 HydrophobicContact CG1-CB 3.97Å; I1645-Q1660 HydrophobicContact CG2-CB 4.28Å; Q1660-Y1777 WeakPolarHBondContact CG-O 3.47Å; Q1660-Y1777 PolarHBondContact N-O 2.85Å; Q1660-Y1777 PolarHBondContact O-N 3.1Å |
| 1661 | T | 94.2 | Very high | 88.1 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 8% | 0.08 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147 | 171.2 | -166.9 | 0 | 0 | 0 | 0 | 109.9 | V1644 R1774 L1775 L1776 | V1644-T1661 HydrophobicContact CB-CG2 4.1Å; V1644-T1661 PolarHBondContact N-O 2.62Å; V1644-T1661 PolarHBondContact O-N 3.49Å; T1661-R1774 HydrophobicContact CG2-CB 4Å; T1661-R1774 PolarHBondContact OG1-NE 2.91Å; T1661-L1775 WeakPolarHBondContact CB-O 3.13Å; T1661-L1775 PolarHBondContact OG1-O 2.86Å; T1661-L1776 HydrophobicContact CG2-CD2 4.08Å |
| 1662 | D | 92.4 | Very high | 88.3 | Confident | 72 Ų | 72 | 39.6 Ų | 39.6 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.1 | -174.2 | -56.1 | -42.1 | 0 | 0 | 0 | 110.5 | L1642 H1643 R1774 | L1642-D1662 CarbonylContact O-C 3.58Å; L1642-D1662 WeakPolarHBondContact O-CA 3.37Å; H1643-D1662 IonicContact CE1-OD1 3.84Å; H1643-D1662 IonicContact CG-OD1 2.92Å; H1643-D1662 IonicContact ND1-OD1 3.75Å; H1643-D1662 PolarHBondContact ND1-OD1 2.89Å; D1662-R1774 PolarHBondContact O-NH2 2.9Å |
| 1663 | I | 94.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.1 | 179.7 | -56.2 | 175.4 | 0 | 0 | 0 | 109.6 | L1642 L1665 M1791 V1793 | L1642-I1663 HydrophobicContact CB-CB 4.27Å; L1642-I1663 HydrophobicContact CD2-CB 4.48Å; L1642-I1663 HydrophobicContact CD2-CD1 4.19Å; L1642-I1663 PolarHBondContact N-O 3.06Å; L1642-I1663 PolarHBondContact O-N 3.43Å; I1663-L1665 HydrophobicContact CG2-CD2 4.36Å; I1663-L1665 PolarHBondContact O-N 3.05Å; I1663-M1791 HydrophobicContact CD1-CE 3.68Å; I1663-M1791 HydrophobicContact CD1-SD 4.27Å; I1663-V1793 HydrophobicContact CD1-CG2 3.9Å |
| 1664 | D | 93 | Very high | 90 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 97.7 | 171.7 | -170.8 | -39.3 | 0 | 0 | 0 | 109.7 | K1544 K1640 E1666 N1667 R1668 | K1544-D1664 IonicContact NZ-OD1 3.72Å; K1544-D1664 IonicContact NZ-OD2 2.67Å; K1544-D1664 PolarHBondContact NZ-OD2 2.97Å; K1640-D1664 IonicContact NZ-OD2 3.34Å; K1640-D1664 PolarHBondContact NZ-OD2 3.4Å; D1664-E1666 VanDerWaalsContact C-N 3.27Å; D1664-E1666 PolarHBondContact O-N 3.48Å; D1664-E1666 WeakPolarHBondContact OD1-CA 3.45Å; D1664-E1666 VanDerWaalsContact OD1-CB 3.3Å; D1664-E1666 WeakPolarHBondContact OD1-CB 3.23Å; D1664-E1666 PolarHBondContact OD1-N 3.12Å; D1664-N1667 HydrophobicContact CB-CB 4.34Å; D1664-N1667 PolarHBondContact O-N 2.78Å; D1664-N1667 PolarHBondContact OD1-N 2.95Å; D1664-R1668 PolarHBondContact O-N 2.86Å |
| 1665 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.1 | -27.3 | -179.8 | -63 | 176.1 | 0 | 0 | 0 | 112.9 | L1579 V1606 L1636 K1640 L1642 I1663 R1669 V1793 I1795 | L1579-L1665 HydrophobicContact CD1-CD1 3.44Å; L1579-L1665 VanDerWaalsContact CD1-CD1 3.44Å; L1579-L1665 HydrophobicContact CD2-CD1 3.91Å; L1579-L1665 HydrophobicContact CD2-CD2 4.24Å; L1579-L1665 HydrophobicContact CG-CD1 4.32Å; V1606-L1665 HydrophobicContact CG2-CD1 3.82Å; L1636-L1665 HydrophobicContact CD1-CB 4.27Å; L1636-L1665 HydrophobicContact CD2-CB 3.75Å; L1636-L1665 HydrophobicContact CD2-CD1 4.29Å; K1640-L1665 WeakPolarHBondContact O-CB 3.31Å; K1640-L1665 PolarHBondContact O-N 2.95Å; L1642-L1665 HydrophobicContact CB-CD1 3.9Å; L1642-L1665 HydrophobicContact CB-CD2 4.07Å; L1642-L1665 HydrophobicContact CB-CG 3.88Å; L1642-L1665 HydrophobicContact CD2-CD2 4.01Å; I1663-L1665 HydrophobicContact CG2-CD2 4.36Å; I1663-L1665 PolarHBondContact O-N 3.05Å; L1665-R1669 VanDerWaalsContact O-CB 3.28Å; L1665-R1669 WeakPolarHBondContact O-CB 3.41Å; L1665-R1669 PolarHBondContact O-N 2.94Å; L1665-V1793 HydrophobicContact CD2-CG1 3.99Å; L1665-I1795 HydrophobicContact CB-CD1 4.36Å; L1665-I1795 HydrophobicContact CD2-CD1 4.01Å |
| 1666 | E | 92.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.023 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.2 | -48.3 | 176.7 | 173.1 | -177.7 | -154.3 | 0 | 0 | 109.9 | W1324 R1327 K1544 P1637 K1640 D1664 R1668 R1669 L1670 | W1324-E1666 PolarHBondContact NE1-OE1 2.99Å; R1327-E1666 IonicContact CZ-OE1 3.75Å; R1327-E1666 IonicContact CZ-OE2 3.03Å; R1327-E1666 IonicContact NE-OE1 2.7Å; R1327-E1666 IonicContact NE-OE2 2.93Å; R1327-E1666 PolarHBondContact NE-OE2 3.27Å; R1327-E1666 IonicContact NH2-OE1 3.18Å; R1327-E1666 PolarHBondContact NH2-OE1 2.81Å; R1327-E1666 IonicContact NH2-OE2 2.76Å; R1327-E1666 PolarHBondContact NH2-OE2 3.26Å; K1544-E1666 WeakPolarHBondContact CD-OE2 3.47Å; K1544-E1666 WeakPolarHBondContact CE-OE2 3.38Å; K1544-E1666 IonicContact NZ-OE2 3.82Å; K1544-E1666 PolarHBondContact NZ-OE2 3.4Å; P1637-E1666 HydrophobicContact CB-CB 4.2Å; P1637-E1666 HydrophobicContact CB-CG 3.99Å; P1637-E1666 WeakPolarHBondContact CB-OE1 3.37Å; P1637-E1666 WeakPolarHBondContact CB-OE2 3.39Å; K1640-E1666 HydrophobicContact CB-CB 3.9Å; K1640-E1666 HydrophobicContact CD-CB 4.47Å; D1664-E1666 VanDerWaalsContact C-N 3.27Å; D1664-E1666 PolarHBondContact O-N 3.48Å; D1664-E1666 WeakPolarHBondContact OD1-CA 3.45Å; D1664-E1666 VanDerWaalsContact OD1-CB 3.3Å; D1664-E1666 WeakPolarHBondContact OD1-CB 3.23Å; D1664-E1666 PolarHBondContact OD1-N 3.12Å; E1666-R1668 VanDerWaalsContact C-N 3.3Å; E1666-R1668 PolarHBondContact O-N 3.2Å; E1666-R1669 PolarHBondContact O-N 3.1Å; E1666-R1669 VanDerWaalsContact O-N 3.13Å; E1666-L1670 HydrophobicContact CG-CD1 3.68Å; E1666-L1670 HydrophobicContact CG-CG 4.23Å; E1666-L1670 WeakPolarHBondContact O-CB 3.14Å; E1666-L1670 WeakPolarHBondContact O-CG 3.44Å; E1666-L1670 PolarHBondContact O-N 2.99Å |
| 1667 | N | 90.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 11% | 0.107 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 178 | -72 | -0.5 | 0 | 0 | 0 | 111.1 | F1517 K1544 D1664 R1669 L1670 T1671 | F1517-N1667 HydrophobicContact CB-CB 4.08Å; K1544-N1667 PolarHBondContact NZ-OD1 3.02Å; D1664-N1667 HydrophobicContact CB-CB 4.34Å; D1664-N1667 PolarHBondContact O-N 2.78Å; D1664-N1667 PolarHBondContact OD1-N 2.95Å; N1667-R1669 VanDerWaalsContact C-N 3.32Å; N1667-R1669 PolarHBondContact O-N 2.93Å; N1667-L1670 PolarHBondContact O-N 3.44Å; N1667-T1671 WeakPolarHBondContact O-CB 3.42Å; N1667-T1671 PolarHBondContact O-N 2.86Å |
| 1668 | R | 91.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.8 | -34.7 | 175.5 | -72.4 | -159.8 | -179.1 | -174.6 | 2.3 | 113.9 | E1509 F1517 D1664 E1666 T1671 A1675 E1772 I1795 | E1509-R1668 IonicContact OE2-CZ 2.82Å; E1509-R1668 IonicContact OE2-NE 2.82Å; E1509-R1668 IonicContact OE2-NH2 2.81Å; E1509-R1668 PolarHBondContact OE2-NH2 2.93Å; F1517-R1668 HydrophobicContact CD2-CG 4.11Å; F1517-R1668 HydrophobicContact CE2-CG 4.39Å; D1664-R1668 PolarHBondContact O-N 2.86Å; E1666-R1668 VanDerWaalsContact C-N 3.3Å; E1666-R1668 PolarHBondContact O-N 3.2Å; R1668-T1671 WeakPolarHBondContact O-CG2 3.34Å; R1668-A1675 HydrophobicContact CB-CB 4.12Å; R1668-A1675 HydrophobicContact CG-CB 4.2Å; R1668-A1675 CarbonylContact O-C 3.58Å; R1668-E1772 IonicContact CZ-OE1 3.49Å; R1668-E1772 VanDerWaalsContact CZ-OE1 3.24Å; R1668-E1772 IonicContact CZ-OE2 3.58Å; R1668-E1772 IonicContact NH1-OE1 3.98Å; R1668-E1772 PolarHBondContact NH1-OE1 3.26Å; R1668-E1772 IonicContact NH1-OE2 2.64Å; R1668-E1772 IonicContact NH2-OE1 3.85Å; R1668-E1772 PolarHBondContact NH2-OE1 2.92Å; R1668-E1772 IonicContact NH2-OE2 2.68Å; R1668-E1772 PolarHBondContact NH2-OE2 3.17Å; R1668-I1795 HydrophobicContact CB-CD1 3.83Å |
| 1669 | R | 92.2 | Very high | 91.6 | Very high | 72 Ų | 72 | 20.9 Ų | 20.9 | 27% | 0.272 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -74.5 | -35.6 | 178.3 | 176.4 | 60.6 | -172.1 | 99.7 | 0.2 | 112.8 | E1575 L1636 L1665 E1666 N1667 | E1575-R1669 IonicContact OE1-NH2 2.78Å; E1575-R1669 IonicContact OE2-CZ 2.87Å; E1575-R1669 IonicContact OE2-NE 3.52Å; E1575-R1669 PolarHBondContact OE2-NE 2.8Å; E1575-R1669 IonicContact OE2-NH2 3.41Å; E1575-R1669 PolarHBondContact OE2-NH2 3.3Å; L1636-R1669 HydrophobicContact CD1-CB 3.92Å; L1636-R1669 HydrophobicContact CD1-CG 4.14Å; L1665-R1669 VanDerWaalsContact O-CB 3.28Å; L1665-R1669 WeakPolarHBondContact O-CB 3.41Å; L1665-R1669 PolarHBondContact O-N 2.94Å; E1666-R1669 PolarHBondContact O-N 3.1Å; E1666-R1669 VanDerWaalsContact O-N 3.13Å; N1667-R1669 VanDerWaalsContact C-N 3.32Å; N1667-R1669 PolarHBondContact O-N 2.93Å |
| 1670 | L | 88.4 | Confident | 91.8 | Very high | 32 Ų | 32 | 21.6 Ų | 21.6 | 17% | 0.168 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -97.2 | -15.6 | -171.1 | -64 | -173.4 | 0 | 0 | 0 | 114.5 | W1324 F1520 V1570 E1666 N1667 | W1324-L1670 HydrophobicContact CZ2-CD1 4.24Å; F1520-L1670 HydrophobicContact CD1-CB 4.15Å; F1520-L1670 HydrophobicContact CD1-CD1 4.02Å; F1520-L1670 HydrophobicContact CE1-CD1 4.02Å; F1520-L1670 HydrophobicContact CG-CB 4.41Å; V1570-L1670 HydrophobicContact CG1-CD2 3.52Å; E1666-L1670 HydrophobicContact CG-CD1 3.68Å; E1666-L1670 HydrophobicContact CG-CG 4.23Å; E1666-L1670 WeakPolarHBondContact O-CB 3.14Å; E1666-L1670 WeakPolarHBondContact O-CG 3.44Å; E1666-L1670 PolarHBondContact O-N 2.99Å; N1667-L1670 PolarHBondContact O-N 3.44Å |
| 1671 | T | 88.1 | Confident | 91.7 | Very high | 8 Ų | 8 | 23.3 Ų | 23.3 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | trans | -61.2 | 139.1 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | F1517 D1519 N1667 R1668 Y1673 R1674 A1675 | F1517-T1671 HydrophobicContact CB-CG2 4.24Å; F1517-T1671 HydrophobicContact CD1-CG2 3.65Å; F1517-T1671 WeakPolarHBondContact CD1-OG1 3.44Å; F1517-T1671 HydrophobicContact CE1-CG2 4.23Å; F1517-T1671 HydrophobicContact CG-CG2 4.08Å; D1519-T1671 WeakPolarHBondContact OD1-CA 3.44Å; D1519-T1671 VanDerWaalsContact OD1-CB 3.26Å; D1519-T1671 WeakPolarHBondContact OD1-CB 3.17Å; D1519-T1671 PolarHBondContact OD1-OG1 3.45Å; N1667-T1671 WeakPolarHBondContact O-CB 3.42Å; N1667-T1671 PolarHBondContact O-N 2.86Å; R1668-T1671 WeakPolarHBondContact O-CG2 3.34Å; T1671-Y1673 PolarHBondContact O-N 2.92Å; T1671-Y1673 WeakPolarHBondContact OG1-CD2 3.21Å; T1671-Y1673 PolarHBondContact OG1-N 2.87Å; T1671-R1674 PolarHBondContact O-N 2.82Å; T1671-R1674 VanDerWaalsContact O-N 3.12Å; T1671-A1675 HydrophobicContact CG2-CB 3.67Å | ||
| 1672 | K | 82.2 | Confident | 91.5 | Very high | 41 Ų | 41 | 22.9 Ų | 22.9 | 18% | 0.178 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21 | 173.3 | 78.4 | -162.5 | 169.2 | -173.2 | 0 | 112.7 | M1426 D1519 R1674 L1766 | M1426-K1672 HydrophobicContact CE-CD 4.31Å; M1426-K1672 HydrophobicContact SD-CD 3.41Å; M1426-K1672 WeakPolarHBondContact SD-CD 3.31Å; M1426-K1672 PolarHBondContact SD-NZ 2.75Å; D1519-K1672 HydrophobicContact CB-CD 4.08Å; D1519-K1672 WeakPolarHBondContact OD2-CB 3.38Å; D1519-K1672 WeakPolarHBondContact OD2-CD 3.44Å; D1519-K1672 WeakPolarHBondContact OD2-CG 3.08Å; D1519-K1672 PolarHBondContact OD2-N 2.86Å; K1672-R1674 PolarHBondContact O-N 2.8Å; K1672-L1766 WeakPolarHBondContact O-CD2 3.19Å |
| 1673 | Y | 89.1 | Confident | 91.5 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.2 | 179 | -53.9 | -64.5 | 0 | 0 | 0 | 112.6 | G1513 F1514 N1515 F1517 D1519 T1671 P1765 L1766 V1767 | G1513-Y1673 WeakPolarHBondContact O-CE1 3.39Å; G1513-Y1673 PolarHBondContact O-OH 3.44Å; F1514-Y1673 VanDerWaalsContact C-CE2 3.5Å; F1514-Y1673 HydrophobicContact CB-CD2 4.24Å; F1514-Y1673 HydrophobicContact CB-CE2 4.46Å; F1514-Y1673 AromaticContact CD1-CD1 3.95Å; F1514-Y1673 HydrophobicContact CD1-CD1 3.95Å; F1514-Y1673 HydrophobicContact CD1-CD2 4.14Å; F1514-Y1673 HydrophobicContact CD1-CE1 4.37Å; F1514-Y1673 AromaticContact CD1-CG 3.78Å; F1514-Y1673 HydrophobicContact CD1-CG 3.78Å; F1514-Y1673 HydrophobicContact CE1-CD1 4.4Å; F1514-Y1673 HydrophobicContact CE1-CG 4.39Å; F1514-Y1673 WeakPolarHBondContact O-CD2 3.33Å; F1514-Y1673 WeakPolarHBondContact O-CE2 3.47Å; N1515-Y1673 PolarHBondContact ND2-OH 3.23Å; F1517-Y1673 HydrophobicContact CD1-CD2 4.02Å; F1517-Y1673 HydrophobicContact CE1-CD2 4.29Å; D1519-Y1673 HydrophobicContact CB-CE2 4.13Å; T1671-Y1673 PolarHBondContact O-N 2.92Å; T1671-Y1673 WeakPolarHBondContact OG1-CD2 3.21Å; T1671-Y1673 PolarHBondContact OG1-N 2.87Å; Y1673-P1765 WeakPolarHBondContact CD1-O 3.11Å; Y1673-L1766 CarbonylContact O-C 3.58Å; Y1673-L1766 WeakPolarHBondContact O-CA 3.48Å; Y1673-V1767 PolarHBondContact O-N 3.5Å |
| 1674 | R | 91.7 | Very high | 91.4 | Very high | 37 Ų | 37 | 20.2 Ų | 20.2 | 14% | 0.14 | 10% | 0.097 | C | C | . | . | trans | 58.6 | 50.2 | 174.4 | -161.2 | -166.5 | -174.2 | -107.3 | -8.3 | 113.1 | T1671 K1672 T1676 C1677 D1693 I1700 L1766 | T1671-R1674 PolarHBondContact O-N 2.82Å; T1671-R1674 VanDerWaalsContact O-N 3.12Å; K1672-R1674 PolarHBondContact O-N 2.8Å; R1674-T1676 PolarHBondContact O-N 2.75Å; R1674-C1677 PolarHBondContact NH1-O 2.71Å; R1674-D1693 IonicContact CZ-OD2 3.14Å; R1674-D1693 IonicContact NH1-OD2 3.64Å; R1674-D1693 PolarHBondContact NH1-OD2 3.35Å; R1674-D1693 IonicContact NH2-OD1 3.32Å; R1674-D1693 PolarHBondContact NH2-OD1 3.34Å; R1674-D1693 IonicContact NH2-OD2 2.72Å; R1674-D1693 PolarHBondContact NH2-OD2 3.01Å; R1674-I1700 VanDerWaalsContact CZ-CD1 3.45Å; R1674-I1700 VanDerWaalsContact NH2-CG1 3.34Å; R1674-L1766 HydrophobicContact CB-CD2 4.1Å | ||
| 1675 | A | 93.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | trans | -73.3 | 41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1508 F1517 R1668 T1671 V1767 | L1508-A1675 HydrophobicContact CD2-CB 4.24Å; F1517-A1675 HydrophobicContact CD1-CB 4.36Å; F1517-A1675 HydrophobicContact CD2-CB 4.45Å; F1517-A1675 HydrophobicContact CE1-CB 3.92Å; F1517-A1675 HydrophobicContact CE2-CB 4.02Å; F1517-A1675 HydrophobicContact CZ-CB 3.72Å; R1668-A1675 HydrophobicContact CB-CB 4.12Å; R1668-A1675 HydrophobicContact CG-CB 4.2Å; R1668-A1675 CarbonylContact O-C 3.58Å; T1671-A1675 HydrophobicContact CG2-CB 3.67Å; A1675-V1767 HydrophobicContact CB-CG2 3.83Å | ||
| 1676 | T | 92.5 | Very high | 90.8 | Very high | 14 Ų | 14 | 24 Ų | 24 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -102.1 | -66.7 | -176.8 | 45.8 | 0 | 0 | 0 | 0 | 111.9 | R1674 D1794 I1795 | R1674-T1676 PolarHBondContact O-N 2.75Å; T1676-D1794 CarbonylContact O-C 3.5Å; T1676-D1794 WeakPolarHBondContact O-CA 3.45Å; T1676-I1795 HydrophobicContact CG2-CB 4.32Å; T1676-I1795 PolarHBondContact O-N 2.74Å |
| 1677 | C | 93 | Very high | 90.3 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -128.7 | 120.5 | 169.2 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | R1674 F1796 | R1674-C1677 PolarHBondContact NH1-O 2.71Å; C1677-F1796 HydrophobicContact CB-CE1 3.78Å; C1677-F1796 HydrophobicContact CB-CZ 4.12Å |
| 1678 | G | 92.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 142.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1680 K1768 | G1678-P1680 WeakPolarHBondContact O-CD 3.35Å; G1678-K1768 WeakPolarHBondContact CA-O 3.28Å |
| 1679 | L | 94.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 121 | -178.2 | -64.6 | 173.5 | 0 | 0 | 0 | 112.3 | W1691 L1758 L1761 L1766 V1767 E1769 | L1679-W1691 HydrophobicContact CD2-CH2 4.12Å; L1679-L1758 HydrophobicContact CB-CD1 4.26Å; L1679-L1758 HydrophobicContact CD2-CD1 4Å; L1679-L1761 HydrophobicContact CD1-CB 3.82Å; L1679-L1761 HydrophobicContact CD2-CD1 4.45Å; L1679-L1766 HydrophobicContact CD1-CB 3.82Å; L1679-L1766 HydrophobicContact CD1-CD1 3.85Å; L1679-L1766 HydrophobicContact CD1-CG 4.5Å; L1679-V1767 PolarHBondContact N-O 3.43Å; L1679-V1767 VanDerWaalsContact N-O 3.12Å; L1679-E1769 PolarHBondContact O-N 2.79Å |
| 1680 | P | 93.5 | Very high | 89.5 | Confident | 14 Ų | 14 | 26 Ų | 26 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 164.1 | 171.3 | 29.4 | -34.4 | 0 | 0 | 0 | 111.5 | G1678 W1691 L1758 N1762 E1769 | G1678-P1680 WeakPolarHBondContact O-CD 3.35Å; P1680-W1691 HydrophobicContact CG-CE3 3.76Å; P1680-W1691 HydrophobicContact CG-CZ3 3.65Å; P1680-L1758 HydrophobicContact CG-CD2 4.16Å; P1680-L1758 WeakPolarHBondContact O-CD2 3.33Å; P1680-N1762 PolarHBondContact O-ND2 2.89Å; P1680-E1769 WeakPolarHBondContact CB-OE2 3.32Å |
| 1681 | Q | 91 | Very high | 89.6 | Confident | 85 Ų | 85 | 25.7 Ų | 25.7 | 40% | 0.397 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -72.6 | -36.2 | -179.7 | -61 | 175.6 | -1.7 | 0 | 0 | 111.7 | D1499 T1500 | D1499-Q1681 HydrophobicContact CB-CB 4.12Å; D1499-Q1681 HydrophobicContact CB-CG 4.42Å; D1499-Q1681 PolarHBondContact OD2-N 2.79Å; T1500-Q1681 PolarHBondContact O-NE2 2.92Å; T1500-Q1681 VanDerWaalsContact O-NE2 3.1Å; T1500-Q1681 PolarHBondContact OG1-NE2 2.83Å |
| 1682 | S | 90.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -126.3 | 143.1 | -176.6 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | D1499 C1684 L1758 | D1499-S1682 WeakPolarHBondContact OD1-CB 3.3Å; D1499-S1682 PolarHBondContact OD1-OG 2.82Å; D1499-S1682 WeakPolarHBondContact OD2-CA 3.45Å; D1499-S1682 WeakPolarHBondContact OD2-CB 2.96Å; D1499-S1682 PolarHBondContact OD2-N 3.33Å; S1682-C1684 PolarHBondContact O-N 2.81Å; S1682-L1758 VanDerWaalsContact C-CD2 3.41Å |
| 1683 | Y | 92.6 | Very high | 90.2 | Very high | 18 Ų | 18 | 24.9 Ų | 24.9 | 7% | 0.071 | 14% | 0.139 | C | C | . | . | trans | -88.1 | 106.9 | 178.1 | 177.2 | -108.2 | 0 | 0 | 0 | 110.3 | V1685 W1691 L1696 P1697 G1750 P1751 E1754 R1755 L1758 | Y1683-V1685 HydrophobicContact CE1-CG1 3.89Å; Y1683-W1691 HydrophobicContact CD2-CB 4.13Å; Y1683-W1691 AromaticContact CD2-CD2 3.75Å; Y1683-W1691 HydrophobicContact CD2-CD2 3.75Å; Y1683-W1691 AromaticContact CD2-CE3 3.61Å; Y1683-W1691 HydrophobicContact CD2-CE3 3.61Å; Y1683-W1691 HydrophobicContact CD2-CG 4Å; Y1683-W1691 HydrophobicContact CD2-CZ3 4.26Å; Y1683-W1691 HydrophobicContact CE2-CB 3.74Å; Y1683-W1691 AromaticContact CE2-CD2 3.66Å; Y1683-W1691 HydrophobicContact CE2-CD2 3.66Å; Y1683-W1691 HydrophobicContact CE2-CE3 4.04Å; Y1683-W1691 AromaticContact CE2-CG 3.53Å; Y1683-W1691 HydrophobicContact CE2-CG 3.53Å; Y1683-L1696 WeakPolarHBondContact OH-CD2 3.33Å; Y1683-P1697 HydrophobicContact CD2-CG 3.47Å; Y1683-P1697 VanDerWaalsContact CD2-CG 3.47Å; Y1683-P1697 HydrophobicContact CE2-CG 3.75Å; Y1683-P1697 HydrophobicContact CG-CG 4.1Å; Y1683-G1750 PolarHBondContact O-N 2.96Å; Y1683-P1751 HydrophobicContact CE1-CG 4.14Å; Y1683-E1754 HydrophobicContact CD1-CB 3.52Å; Y1683-E1754 HydrophobicContact CE1-CB 3.42Å; Y1683-E1754 VanDerWaalsContact CE1-CB 3.42Å; Y1683-E1754 HydrophobicContact CE1-CG 3.97Å; Y1683-E1754 HydrophobicContact CE2-CB 4.46Å; Y1683-E1754 HydrophobicContact CG-CB 4.1Å; Y1683-R1755 HydrophobicContact CD1-CG 4.26Å; Y1683-L1758 VanDerWaalsContact N-CD2 3.33Å | ||
| 1684 | C | 90.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -112.4 | 137.6 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | S1682 N1689 W1691 H1748 | S1682-C1684 PolarHBondContact O-N 2.81Å; C1684-N1689 HydrophobicContact CB-CB 4.36Å; C1684-N1689 WeakPolarHBondContact CB-O 3.24Å; C1684-W1691 WeakPolarHBondContact O-CB 3.29Å; C1684-W1691 PolarHBondContact O-N 2.89Å; C1684-H1748 CarbonylContact C-O 3.57Å; C1684-H1748 VanDerWaalsContact CA-O 3.22Å; C1684-H1748 WeakPolarHBondContact CA-O 3.21Å; C1684-H1748 HydrophobicContact CB-CB 3.96Å |
| 1685 | V | 88.8 | Confident | 90.3 | Very high | 69 Ų | 69 | 27.1 Ų | 27.1 | 42% | 0.418 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -95.1 | -8.1 | 179.4 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | Y1683 H1748 | Y1683-V1685 HydrophobicContact CE1-CG1 3.89Å; V1685-H1748 PolarHBondContact N-O 3.26Å |
| 1686 | S | 86.3 | Confident | 90.3 | Very high | 49 Ų | 49 | 30.1 Ų | 30.1 | 34% | 0.343 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -154.6 | -179.1 | 179.2 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | H1748 | S1686-H1748 VanDerWaalsContact O-CB 3.29Å; S1686-H1748 WeakPolarHBondContact O-CB 3.36Å; S1686-H1748 PolarHBondContact OG-ND1 2.87Å |
| 1687 | G | 82.5 | Confident | 90.4 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 75.9 | -170.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1689 Q1690 | G1687-N1689 PolarHBondContact O-N 3.14Å; G1687-N1689 VanDerWaalsContact O-N 3.11Å; G1687-Q1690 WeakPolarHBondContact O-CB 3.31Å; G1687-Q1690 PolarHBondContact O-N 3.19Å |
| 1688 | P | 80.5 | Confident | 90.5 | Very high | 31 Ų | 31 | 29.8 Ų | 29.8 | 20% | 0.201 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.2 | -171.6 | 26 | -34.7 | 0 | 0 | 0 | 114.2 | I1474 Y1498 F1807 | I1474-P1688 HydrophobicContact CG2-CB 4.14Å; I1474-P1688 HydrophobicContact CG2-CG 4.04Å; Y1498-P1688 HydrophobicContact CD2-CG 3.94Å; Y1498-P1688 HydrophobicContact CE2-CG 3.63Å; P1688-F1807 WeakPolarHBondContact O-CE1 3.48Å |
| 1689 | N | 87.2 | Confident | 90.6 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 24.5 | 179.4 | -68.5 | -48.1 | 0 | 0 | 0 | 112.8 | K1479 Y1493 C1684 G1687 W1691 | K1479-N1689 WeakPolarHBondContact CD-OD1 3.42Å; K1479-N1689 WeakPolarHBondContact CE-OD1 3.43Å; K1479-N1689 PolarHBondContact NZ-OD1 3.23Å; Y1493-N1689 PolarHBondContact OH-ND2 3.11Å; Y1493-N1689 PolarHBondContact OH-OD1 2.95Å; Y1493-N1689 VanDerWaalsContact OH-OD1 3.13Å; C1684-N1689 HydrophobicContact CB-CB 4.36Å; C1684-N1689 WeakPolarHBondContact CB-O 3.24Å; G1687-N1689 PolarHBondContact O-N 3.14Å; G1687-N1689 VanDerWaalsContact O-N 3.11Å; N1689-W1691 PolarHBondContact O-N 2.98Å |
| 1690 | Q | 89.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 33.9 Ų | 33.9 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | B | Isolated β-bridge | trans | -54.9 | 134.7 | -179.3 | -177.5 | 174.1 | -0.4 | 0 | 0 | 111.9 | G1687 R1692 P1805 | G1687-Q1690 WeakPolarHBondContact O-CB 3.31Å; G1687-Q1690 PolarHBondContact O-N 3.19Å; Q1690-R1692 WeakPolarHBondContact O-CG 3.46Å; Q1690-R1692 PolarHBondContact O-N 2.54Å; Q1690-P1805 HydrophobicContact CG-CG 4.26Å |
| 1691 | W | 92.1 | Very high | 90.5 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | trans | -56.1 | 129.4 | 177.6 | -175.1 | -101.2 | 0 | 0 | 0 | 112.5 | L1679 P1680 Y1683 C1684 N1689 D1693 K1695 P1697 I1700 L1758 | L1679-W1691 HydrophobicContact CD2-CH2 4.12Å; P1680-W1691 HydrophobicContact CG-CE3 3.76Å; P1680-W1691 HydrophobicContact CG-CZ3 3.65Å; Y1683-W1691 HydrophobicContact CD2-CB 4.13Å; Y1683-W1691 AromaticContact CD2-CD2 3.75Å; Y1683-W1691 HydrophobicContact CD2-CD2 3.75Å; Y1683-W1691 AromaticContact CD2-CE3 3.61Å; Y1683-W1691 HydrophobicContact CD2-CE3 3.61Å; Y1683-W1691 HydrophobicContact CD2-CG 4Å; Y1683-W1691 HydrophobicContact CD2-CZ3 4.26Å; Y1683-W1691 HydrophobicContact CE2-CB 3.74Å; Y1683-W1691 AromaticContact CE2-CD2 3.66Å; Y1683-W1691 HydrophobicContact CE2-CD2 3.66Å; Y1683-W1691 HydrophobicContact CE2-CE3 4.04Å; Y1683-W1691 AromaticContact CE2-CG 3.53Å; Y1683-W1691 HydrophobicContact CE2-CG 3.53Å; C1684-W1691 WeakPolarHBondContact O-CB 3.29Å; C1684-W1691 PolarHBondContact O-N 2.89Å; N1689-W1691 PolarHBondContact O-N 2.98Å; W1691-D1693 HydrophobicContact CD2-CB 4.41Å; W1691-D1693 VanDerWaalsContact CE2-CB 3.46Å; W1691-D1693 HydrophobicContact CH2-CB 4.38Å; W1691-D1693 HydrophobicContact CZ2-CB 3.44Å; W1691-D1693 VanDerWaalsContact CZ2-CB 3.44Å; W1691-D1693 PolarHBondContact NE1-O 2.96Å; W1691-K1695 WeakPolarHBondContact CZ2-O 3.42Å; W1691-K1695 PolarHBondContact NE1-O 2.98Å; W1691-P1697 HydrophobicContact CE3-CG 4.42Å; W1691-P1697 HydrophobicContact CH2-CG 3.78Å; W1691-P1697 HydrophobicContact CZ2-CG 3.89Å; W1691-P1697 HydrophobicContact CZ3-CG 4.04Å; W1691-I1700 HydrophobicContact CH2-CD1 3.92Å; W1691-I1700 HydrophobicContact CZ2-CD1 3.56Å; W1691-L1758 HydrophobicContact CH2-CD1 4.1Å; W1691-L1758 HydrophobicContact CZ3-CD1 3.81Å; W1691-L1758 HydrophobicContact CZ3-CD2 4.06Å | ||
| 1692 | R | 91.8 | Very high | 90.5 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | trans | -108 | -17.9 | -173 | -55.1 | -171.3 | -60.2 | 142.5 | 11.3 | 114.3 | Y1582 Q1690 D1794 G1804 F1807 | Y1582-R1692 PolarHBondContact OH-NH1 3.48Å; Q1690-R1692 WeakPolarHBondContact O-CG 3.46Å; Q1690-R1692 PolarHBondContact O-N 2.54Å; R1692-D1794 IonicContact CZ-OD2 2.83Å; R1692-D1794 IonicContact NH1-OD2 3.03Å; R1692-D1794 PolarHBondContact NH1-OD2 2.93Å; R1692-D1794 IonicContact NH2-OD1 2.82Å; R1692-D1794 PolarHBondContact NH2-OD1 2.85Å; R1692-D1794 IonicContact NH2-OD2 3.91Å; R1692-D1794 PolarHBondContact NH2-OD2 2.9Å; R1692-G1804 WeakPolarHBondContact O-CA 3.43Å; R1692-G1804 PolarHBondContact O-N 2.77Å; R1692-F1807 VanDerWaalsContact CD-CE2 3.46Å; R1692-F1807 VanDerWaalsContact CZ-CD2 3.43Å | ||
| 1693 | D | 91.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 10% | 0.096 | 19% | 0.193 | C | C | . | . | trans | -72.5 | 143.9 | -175.1 | -152.1 | -60.9 | 0 | 0 | 0 | 111.4 | R1674 W1691 K1695 | R1674-D1693 IonicContact CZ-OD2 3.14Å; R1674-D1693 IonicContact NH1-OD2 3.64Å; R1674-D1693 PolarHBondContact NH1-OD2 3.35Å; R1674-D1693 IonicContact NH2-OD1 3.32Å; R1674-D1693 PolarHBondContact NH2-OD1 3.34Å; R1674-D1693 IonicContact NH2-OD2 2.72Å; R1674-D1693 PolarHBondContact NH2-OD2 3.01Å; W1691-D1693 HydrophobicContact CD2-CB 4.41Å; W1691-D1693 VanDerWaalsContact CE2-CB 3.46Å; W1691-D1693 HydrophobicContact CH2-CB 4.38Å; W1691-D1693 HydrophobicContact CZ2-CB 3.44Å; W1691-D1693 VanDerWaalsContact CZ2-CB 3.44Å; W1691-D1693 PolarHBondContact NE1-O 2.96Å; D1693-K1695 PolarHBondContact O-N 3.12Å; D1693-K1695 PolarHBondContact OD1-N 3.43Å; D1693-K1695 VanDerWaalsContact OD1-N 3.1Å | ||
| 1694 | S | 89.9 | Confident | 89.9 | Confident | 31 Ų | 31 | 34.1 Ų | 34.1 | 22% | 0.217 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -67.2 | -22.1 | 175.3 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | P1803 | S1694-P1803 WeakPolarHBondContact OG-CA 3.5Š|
| 1695 | K | 91.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 34.1 Ų | 34.1 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -102.1 | 147 | 176.7 | -69.6 | -172.5 | 175.8 | -176.2 | 0 | 111.8 | W1691 D1693 E1699 I1700 L1800 | W1691-K1695 WeakPolarHBondContact CZ2-O 3.42Å; W1691-K1695 PolarHBondContact NE1-O 2.98Å; D1693-K1695 PolarHBondContact O-N 3.12Å; D1693-K1695 PolarHBondContact OD1-N 3.43Å; D1693-K1695 VanDerWaalsContact OD1-N 3.1Å; K1695-E1699 WeakPolarHBondContact CA-OE2 3.44Å; K1695-E1699 HydrophobicContact CB-CB 4.3Å; K1695-I1700 HydrophobicContact CB-CD1 4.27Å; K1695-I1700 HydrophobicContact CB-CG1 3.75Å; K1695-L1800 HydrophobicContact CD-CD1 4.41Å; K1695-L1800 HydrophobicContact CG-CD1 4.29Å |
| 1696 | L | 93.6 | Very high | 89 | Confident | 66 Ų | 66 | 35.3 Ų | 35.3 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | trans | -72.5 | 151.9 | 169.7 | -66.1 | 173.8 | 0 | 0 | 0 | 111 | Y1683 S1698 E1699 I1700 | Y1683-L1696 WeakPolarHBondContact OH-CD2 3.33Å; L1696-S1698 PolarHBondContact O-N 3.3Å; L1696-S1698 VanDerWaalsContact O-N 3.16Å; L1696-E1699 HydrophobicContact CB-CG 4.13Å; L1696-E1699 PolarHBondContact N-OE2 2.73Å; L1696-E1699 WeakPolarHBondContact O-CB 3.44Å; L1696-E1699 PolarHBondContact O-N 2.96Å; L1696-I1700 WeakPolarHBondContact O-CG1 3.38Å; L1696-I1700 PolarHBondContact O-N 3.07Å | ||
| 1697 | P | 95.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -50 | -39.9 | 176.1 | -30.8 | 36.5 | 0 | 0 | 0 | 114.7 | Y1683 W1691 I1700 L1701 E1754 A1757 L1758 L1761 | Y1683-P1697 HydrophobicContact CD2-CG 3.47Å; Y1683-P1697 VanDerWaalsContact CD2-CG 3.47Å; Y1683-P1697 HydrophobicContact CE2-CG 3.75Å; Y1683-P1697 HydrophobicContact CG-CG 4.1Å; W1691-P1697 HydrophobicContact CE3-CG 4.42Å; W1691-P1697 HydrophobicContact CH2-CG 3.78Å; W1691-P1697 HydrophobicContact CZ2-CG 3.89Å; W1691-P1697 HydrophobicContact CZ3-CG 4.04Å; P1697-I1700 PolarHBondContact O-N 2.94Å; P1697-L1701 WeakPolarHBondContact O-CB 3.3Å; P1697-L1701 PolarHBondContact O-N 2.87Å; P1697-E1754 HydrophobicContact CB-CB 4.4Å; P1697-E1754 WeakPolarHBondContact CB-O 3.44Å; P1697-E1754 HydrophobicContact CG-CB 4.14Å; P1697-A1757 HydrophobicContact CB-CB 3.87Å; P1697-L1758 HydrophobicContact CB-CB 4.02Å; P1697-L1758 HydrophobicContact CG-CB 4.21Å; P1697-L1761 HydrophobicContact CB-CD1 4.43Å; P1697-L1761 WeakPolarHBondContact O-CD1 3.27Å |
| 1698 | S | 94.8 | Very high | 87.9 | Confident | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.7 | -32.5 | 177.6 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | L1696 L1702 Y1715 K1753 E1754 | L1696-S1698 PolarHBondContact O-N 3.3Å; L1696-S1698 VanDerWaalsContact O-N 3.16Å; S1698-L1702 WeakPolarHBondContact O-CB 3.4Å; S1698-L1702 PolarHBondContact O-N 3.42Å; S1698-Y1715 VanDerWaalsContact CB-OH 3.27Å; S1698-Y1715 WeakPolarHBondContact CB-OH 3.4Å; S1698-K1753 PolarHBondContact OG-NZ 3.06Å; S1698-E1754 VanDerWaalsContact CB-OE2 3.22Å; S1698-E1754 WeakPolarHBondContact CB-OE2 3.43Å; S1698-E1754 PolarHBondContact N-OE2 2.87Å; S1698-E1754 VanDerWaalsContact OG-CD 3.23Å; S1698-E1754 PolarHBondContact OG-OE1 2.99Å; S1698-E1754 PolarHBondContact OG-OE2 2.91Å |
| 1699 | E | 93.8 | Very high | 87.4 | Confident | 93 Ų | 93 | 36.3 Ų | 36.3 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.7 | -35.7 | 174.5 | -61.4 | 172.9 | 155.4 | 0 | 0 | 111.3 | K1695 L1696 A1703 | K1695-E1699 WeakPolarHBondContact CA-OE2 3.44Å; K1695-E1699 HydrophobicContact CB-CB 4.3Å; L1696-E1699 HydrophobicContact CB-CG 4.13Å; L1696-E1699 PolarHBondContact N-OE2 2.73Å; L1696-E1699 WeakPolarHBondContact O-CB 3.44Å; L1696-E1699 PolarHBondContact O-N 2.96Å; E1699-A1703 WeakPolarHBondContact O-CB 3.22Å; E1699-A1703 PolarHBondContact O-N 3.45Å |
| 1700 | I | 92.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | 173.7 | -62.5 | 163.8 | 0 | 0 | 0 | 109.8 | R1674 W1691 K1695 L1696 P1697 L1702 A1703 V1704 L1761 | R1674-I1700 VanDerWaalsContact CZ-CD1 3.45Å; R1674-I1700 VanDerWaalsContact NH2-CG1 3.34Å; W1691-I1700 HydrophobicContact CH2-CD1 3.92Å; W1691-I1700 HydrophobicContact CZ2-CD1 3.56Å; K1695-I1700 HydrophobicContact CB-CD1 4.27Å; K1695-I1700 HydrophobicContact CB-CG1 3.75Å; L1696-I1700 WeakPolarHBondContact O-CG1 3.38Å; L1696-I1700 PolarHBondContact O-N 3.07Å; P1697-I1700 PolarHBondContact O-N 2.94Å; I1700-L1702 VanDerWaalsContact C-N 3.29Å; I1700-L1702 PolarHBondContact O-N 3.35Å; I1700-A1703 PolarHBondContact O-N 3.36Å; I1700-V1704 HydrophobicContact CG2-CG2 4.3Å; I1700-V1704 WeakPolarHBondContact O-CB 3.29Å; I1700-V1704 VanDerWaalsContact O-CG2 3.29Å; I1700-V1704 WeakPolarHBondContact O-CG2 3.29Å; I1700-V1704 PolarHBondContact O-N 3.4Å; I1700-L1761 HydrophobicContact CB-CD1 3.87Å; I1700-L1761 HydrophobicContact CG2-CD1 3.71Å; I1700-L1761 HydrophobicContact CG2-CD2 3.87Å; I1700-L1761 HydrophobicContact CG2-CG 4.47Å |
| 1701 | L | 92.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 178 | -175.9 | 62.1 | 0 | 0 | 0 | 111.9 | P1697 V1704 C1705 P1713 V1729 A1757 I1760 L1761 | P1697-L1701 WeakPolarHBondContact O-CB 3.3Å; P1697-L1701 PolarHBondContact O-N 2.87Å; L1701-V1704 PolarHBondContact O-N 3.17Å; L1701-C1705 PolarHBondContact O-N 3.19Å; L1701-C1705 PolarHBondContact O-SG 2.93Å; L1701-P1713 HydrophobicContact CB-CG 4.49Å; L1701-P1713 HydrophobicContact CD2-CB 4.18Å; L1701-P1713 HydrophobicContact CD2-CG 4.06Å; L1701-P1713 HydrophobicContact CG-CB 4.45Å; L1701-P1713 HydrophobicContact CG-CG 3.78Å; L1701-V1729 HydrophobicContact CD1-CG2 4.44Å; L1701-V1729 HydrophobicContact CD2-CG2 4.04Å; L1701-V1729 HydrophobicContact CG-CG2 4.48Å; L1701-A1757 HydrophobicContact CD2-CB 4.24Å; L1701-I1760 HydrophobicContact CD1-CB 4.48Å; L1701-I1760 HydrophobicContact CD1-CG2 3.79Å; L1701-I1760 HydrophobicContact CD2-CB 4.37Å; L1701-I1760 HydrophobicContact CD2-CD1 4.02Å; L1701-I1760 HydrophobicContact CD2-CG2 4.26Å; L1701-L1761 HydrophobicContact CB-CD2 4.18Å; L1701-L1761 HydrophobicContact CB-CG 4.3Å; L1701-L1761 HydrophobicContact CD1-CD2 3.97Å; L1701-L1761 HydrophobicContact CD1-CG 4.32Å |
| 1702 | L | 91.4 | Very high | 85.8 | Confident | 71 Ų | 71 | 40 Ų | 40 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -50.6 | 172.6 | 178.8 | 64.7 | 0 | 0 | 0 | 111.3 | S1698 I1700 V1704 C1705 D1706 A1712 | S1698-L1702 WeakPolarHBondContact O-CB 3.4Å; S1698-L1702 PolarHBondContact O-N 3.42Å; I1700-L1702 VanDerWaalsContact C-N 3.29Å; I1700-L1702 PolarHBondContact O-N 3.35Å; L1702-V1704 VanDerWaalsContact C-N 3.29Å; L1702-V1704 PolarHBondContact O-N 3.47Å; L1702-C1705 WeakPolarHBondContact O-CB 3.19Å; L1702-C1705 PolarHBondContact O-N 3.08Å; L1702-C1705 VanDerWaalsContact O-N 3.11Å; L1702-D1706 PolarHBondContact O-N 3.16Å; L1702-A1712 HydrophobicContact CD1-CB 3.63Å |
| 1703 | A | 86.3 | Confident | 85.6 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1699 I1700 D1706 S1707 | E1699-A1703 WeakPolarHBondContact O-CB 3.22Å; E1699-A1703 PolarHBondContact O-N 3.45Å; I1700-A1703 PolarHBondContact O-N 3.36Å; A1703-D1706 PolarHBondContact O-N 2.75Å; A1703-S1707 WeakPolarHBondContact O-CB 3.38Å; A1703-S1707 PolarHBondContact O-N 2.88Å; A1703-S1707 PolarHBondContact O-OG 2.66Å |
| 1704 | V | 85.1 | Confident | 85.4 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 172.8 | 168.3 | 0 | 0 | 0 | 0 | 109.9 | I1700 L1701 L1702 D1706 S1707 Y1708 L1761 L1764 L1766 | I1700-V1704 HydrophobicContact CG2-CG2 4.3Å; I1700-V1704 WeakPolarHBondContact O-CB 3.29Å; I1700-V1704 VanDerWaalsContact O-CG2 3.29Å; I1700-V1704 WeakPolarHBondContact O-CG2 3.29Å; I1700-V1704 PolarHBondContact O-N 3.4Å; L1701-V1704 PolarHBondContact O-N 3.17Å; L1702-V1704 VanDerWaalsContact C-N 3.29Å; L1702-V1704 PolarHBondContact O-N 3.47Å; V1704-D1706 VanDerWaalsContact C-N 3.3Å; V1704-D1706 PolarHBondContact O-N 3.45Å; V1704-S1707 PolarHBondContact O-N 3.36Å; V1704-S1707 VanDerWaalsContact O-N 3.15Å; V1704-S1707 PolarHBondContact O-OG 3.47Å; V1704-Y1708 HydrophobicContact CG1-CD2 3.75Å; V1704-Y1708 HydrophobicContact CG1-CE2 3.82Å; V1704-Y1708 WeakPolarHBondContact O-CD2 3.27Å; V1704-Y1708 PolarHBondContact O-N 3.11Å; V1704-L1761 HydrophobicContact CG2-CD2 4.07Å; V1704-L1764 HydrophobicContact CG1-CD1 3.74Å; V1704-L1766 HydrophobicContact CG2-CD1 4.23Å |
| 1705 | C | 81.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 176.7 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | L1701 L1702 S1707 Y1708 S1709 L1710 | L1701-C1705 PolarHBondContact O-N 3.19Å; L1701-C1705 PolarHBondContact O-SG 2.93Å; L1702-C1705 WeakPolarHBondContact O-CB 3.19Å; L1702-C1705 PolarHBondContact O-N 3.08Å; L1702-C1705 VanDerWaalsContact O-N 3.11Å; C1705-S1707 PolarHBondContact O-N 2.77Å; C1705-Y1708 CarbonylContact O-C 3.51Å; C1705-Y1708 PolarHBondContact O-N 2.89Å; C1705-S1709 PolarHBondContact O-N 3.44Å; C1705-L1710 HydrophobicContact CB-CB 4.02Å; C1705-L1710 PolarHBondContact O-N 2.83Å |
| 1706 | D | 78.8 | Confident | 84.8 | Confident | 94 Ų | 94 | 44.9 Ų | 44.9 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.8 | -67.5 | -23.4 | 0 | 0 | 0 | 111.8 | L1702 A1703 V1704 Y1708 S1709 | L1702-D1706 PolarHBondContact O-N 3.16Å; A1703-D1706 PolarHBondContact O-N 2.75Å; V1704-D1706 VanDerWaalsContact C-N 3.3Å; V1704-D1706 PolarHBondContact O-N 3.45Å; D1706-Y1708 VanDerWaalsContact C-N 3.25Å; D1706-Y1708 PolarHBondContact O-N 3.03Å; D1706-S1709 PolarHBondContact O-N 3.07Å; D1706-S1709 VanDerWaalsContact O-N 3.08Å |
| 1707 | S | 73.9 | Confident | 83.7 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -29.5 | 178.7 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | A1703 V1704 C1705 | A1703-S1707 WeakPolarHBondContact O-CB 3.38Å; A1703-S1707 PolarHBondContact O-N 2.88Å; A1703-S1707 PolarHBondContact O-OG 2.66Å; V1704-S1707 PolarHBondContact O-N 3.36Å; V1704-S1707 VanDerWaalsContact O-N 3.15Å; V1704-S1707 PolarHBondContact O-OG 3.47Å; C1705-S1707 PolarHBondContact O-N 2.77Å |
| 1708 | Y | 71.5 | Confident | 82.3 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 9% | 0.09 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 7.4 | 175.9 | -70 | -71.3 | 0 | 0 | 0 | 113.4 | M1426 I1428 L1431 V1704 C1705 D1706 L1710 | M1426-Y1708 HydrophobicContact CB-CE1 4.4Å; M1426-Y1708 HydrophobicContact CG-CE1 4.49Å; M1426-Y1708 HydrophobicContact SD-CE1 4.46Å; I1428-Y1708 HydrophobicContact CD1-CD1 4.25Å; I1428-Y1708 HydrophobicContact CD1-CE1 3.4Å; I1428-Y1708 HydrophobicContact CD1-CE2 4.33Å; I1428-Y1708 VanDerWaalsContact CD1-CZ 3.46Å; I1428-Y1708 WeakPolarHBondContact CD1-OH 3.4Å; L1431-Y1708 HydrophobicContact CD1-CD1 4.16Å; L1431-Y1708 HydrophobicContact CD1-CD2 4.32Å; L1431-Y1708 HydrophobicContact CD1-CG 4.06Å; V1704-Y1708 HydrophobicContact CG1-CD2 3.75Å; V1704-Y1708 HydrophobicContact CG1-CE2 3.82Å; V1704-Y1708 WeakPolarHBondContact O-CD2 3.27Å; V1704-Y1708 PolarHBondContact O-N 3.11Å; C1705-Y1708 CarbonylContact O-C 3.51Å; C1705-Y1708 PolarHBondContact O-N 2.89Å; D1706-Y1708 VanDerWaalsContact C-N 3.25Å; D1706-Y1708 PolarHBondContact O-N 3.03Å; Y1708-L1710 PolarHBondContact O-N 2.93Å |
| 1709 | S | 69.7 | Low | 81 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 42% | 0.42 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.2 | -175 | -60.1 | 0 | 0 | 0 | 0 | 114.2 | L1425 C1705 D1706 | L1425-S1709 WeakPolarHBondContact CD1-OG 3.31Å; C1705-S1709 PolarHBondContact O-N 3.44Å; D1706-S1709 PolarHBondContact O-N 3.07Å; D1706-S1709 VanDerWaalsContact O-N 3.08Å |
| 1710 | L | 74.2 | Confident | 79.4 | Confident | 46 Ų | 46 | 62 Ų | 62 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 151.7 | 174 | -62.2 | 175 | 0 | 0 | 0 | 110.8 | L1431 C1705 Y1708 | L1431-L1710 HydrophobicContact CD1-CD1 4.29Å; L1431-L1710 HydrophobicContact CD2-CD1 3.89Å; C1705-L1710 HydrophobicContact CB-CB 4.02Å; C1705-L1710 PolarHBondContact O-N 2.83Å; Y1708-L1710 PolarHBondContact O-N 2.93Å |
| 1711 | P | 76.8 | Confident | 77.9 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 144.8 | 171 | -22.7 | 32.9 | 0 | 0 | 0 | 112 | ||
| 1712 | A | 84.4 | Confident | 76.4 | Confident | 55 Ų | 55 | 73.6 Ų | 73.6 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 139.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1702 Q1714 | L1702-A1712 HydrophobicContact CD1-CB 3.63Å; A1712-Q1714 PolarHBondContact O-N 3.33Å |
| 1713 | P | 88.9 | Confident | 75.3 | Confident | 18 Ų | 18 | 74.6 Ų | 74.6 | 12% | 0.117 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 129.6 | -179 | -23.9 | 31.9 | 0 | 0 | 0 | 112.8 | L1701 Y1715 R1728 V1729 | L1701-P1713 HydrophobicContact CB-CG 4.49Å; L1701-P1713 HydrophobicContact CD2-CB 4.18Å; L1701-P1713 HydrophobicContact CD2-CG 4.06Å; L1701-P1713 HydrophobicContact CG-CB 4.45Å; L1701-P1713 HydrophobicContact CG-CG 3.78Å; P1713-Y1715 HydrophobicContact CB-CE2 4.01Å; P1713-R1728 WeakPolarHBondContact CA-O 3.23Å; P1713-V1729 HydrophobicContact CB-CG2 4.21Å; P1713-V1729 HydrophobicContact CG-CG2 4.49Å |
| 1714 | Q | 87.5 | Confident | 74.8 | Confident | 109 Ų | 109 | 75.5 Ų | 75.5 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 105.2 | -179.6 | -60.9 | 173.7 | -1 | 0 | 0 | 110.2 | A1712 C1727 R1728 | A1712-Q1714 PolarHBondContact O-N 3.33Å; Q1714-C1727 CarbonylContact O-C 3.59Å; Q1714-C1727 WeakPolarHBondContact O-CA 3.26Å; Q1714-R1728 HydrophobicContact CB-CB 4.26Å; Q1714-R1728 PolarHBondContact N-O 3.07Å; Q1714-R1728 PolarHBondContact O-N 3.14Å |
| 1715 | Y | 87 | Confident | 74.7 | Confident | 69 Ų | 69 | 76 Ų | 76 | 27% | 0.271 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.2 | 175.6 | -64.7 | -88.3 | 0 | 0 | 0 | 110.6 | S1698 P1713 S1726 C1727 K1753 A1757 | S1698-Y1715 VanDerWaalsContact CB-OH 3.27Å; S1698-Y1715 WeakPolarHBondContact CB-OH 3.4Å; P1713-Y1715 HydrophobicContact CB-CE2 4.01Å; Y1715-S1726 WeakPolarHBondContact CA-O 3.25Å; Y1715-C1727 HydrophobicContact CD1-CB 3.69Å; Y1715-C1727 HydrophobicContact CE1-CB 3.73Å; Y1715-C1727 VanDerWaalsContact CE1-SG 3.53Å; Y1715-C1727 HydrophobicContact CG-CB 4.45Å; Y1715-K1753 HydrophobicContact CD1-CG 3.81Å; Y1715-K1753 HydrophobicContact CE1-CG 3.81Å; Y1715-K1753 HydrophobicContact CG-CG 4.32Å; Y1715-A1757 WeakPolarHBondContact OH-CB 3.35Å |
| 1716 | G | 80.1 | Confident | 75 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 143.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1726 | G1716-S1726 PolarHBondContact N-O 3.5Š|
| 1717 | E | 71.5 | Confident | 75.6 | Confident | 176 Ų | 176 | 72.9 Ų | 72.9 | 82% | 0.822 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 135.6 | 171.5 | -72.3 | -177.1 | 168.5 | 0 | 0 | 110.9 | ||
| 1718 | T | 65.7 | Low | 76.1 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 54% | 0.54 | 42% | 0.419 | S | S | . | . | trans | -84 | 114.4 | 175.4 | 12.6 | 0 | 0 | 0 | 0 | 109 | P1723 P1725 | T1718-P1723 WeakPolarHBondContact CG2-O 3.49Å; T1718-P1725 HydrophobicContact CG2-CG 4.32Å | ||
| 1719 | T | 67.3 | Low | 76.6 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -114.5 | 164.1 | 177.6 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | S1721 K1722 | T1719-S1721 PolarHBondContact O-N 2.85Å; T1719-S1721 VanDerWaalsContact O-N 3.09Å; T1719-S1721 PolarHBondContact OG1-OG 3.27Å; T1719-K1722 PolarHBondContact N-O 3.2Å; T1719-K1722 CarbonylContact O-C 3.57Å; T1719-K1722 PolarHBondContact O-N 2.98Å; T1719-K1722 VanDerWaalsContact O-O 3.12Å; T1719-K1722 PolarHBondContact OG1-N 2.91Å |
| 1720 | E | 60.9 | Low | 76.8 | Confident | 204 Ų | 204 | 74 Ų | 74 | 95% | 0.953 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.5 | 173 | -73.1 | -175.1 | 164.1 | 0 | 0 | 112.7 | ||
| 1721 | S | 60.6 | Low | 76.7 | Confident | 104 Ų | 104 | 77.8 Ų | 77.8 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -19 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | T1719 | T1719-S1721 PolarHBondContact O-N 2.85Å; T1719-S1721 VanDerWaalsContact O-N 3.09Å; T1719-S1721 PolarHBondContact OG1-OG 3.27Å |
| 1722 | K | 61.8 | Low | 76.7 | Confident | 143 Ų | 143 | 79.4 Ų | 79.4 | 62% | 0.622 | 42% | 0.422 | S | S | * | . | B | Isolated β-bridge | trans | -137.9 | 78.6 | 178 | -73.2 | -173.9 | 178.9 | -179 | 0 | 109.2 | T1719 N1724 | T1719-K1722 PolarHBondContact N-O 3.2Å; T1719-K1722 CarbonylContact O-C 3.57Å; T1719-K1722 PolarHBondContact O-N 2.98Å; T1719-K1722 VanDerWaalsContact O-O 3.12Å; T1719-K1722 PolarHBondContact OG1-N 2.91Å; K1722-N1724 PolarHBondContact O-N 2.84Å |
| 1723 | P | 68.1 | Low | 76.7 | Confident | 92 Ų | 92 | 80.2 Ų | 80.2 | 60% | 0.597 | 42% | 0.42 | S | S | * | . | trans | -68.4 | -19 | -174.5 | 26.9 | -34.6 | 0 | 0 | 0 | 113.3 | T1718 | T1718-P1723 WeakPolarHBondContact CG2-O 3.49Š| ||
| 1724 | N | 75.4 | Confident | 76.7 | Confident | 58 Ų | 58 | 80.1 Ų | 80.1 | 31% | 0.31 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -92 | 128.1 | -175.6 | -63.4 | -28.5 | 0 | 0 | 0 | 111.9 | K1722 S1726 V1735 E1737 | K1722-N1724 PolarHBondContact O-N 2.84Å; N1724-S1726 PolarHBondContact O-N 3.07Å; N1724-V1735 HydrophobicContact CB-CG1 3.73Å; N1724-E1737 PolarHBondContact ND2-OE2 2.85Å |
| 1725 | P | 83.5 | Confident | 76.7 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | trans | -57.4 | 136.7 | 170.9 | -17.2 | 26.3 | 0 | 0 | 0 | 111 | T1718 L1736 P1752 L1756 | T1718-P1725 HydrophobicContact CG2-CG 4.32Å; P1725-L1736 HydrophobicContact CB-CB 4.47Å; P1725-L1736 HydrophobicContact CG-CB 4.44Å; P1725-L1736 HydrophobicContact CG-CD2 3.97Å; P1725-L1736 PolarHBondContact O-N 2.65Å; P1725-L1736 VanDerWaalsContact O-N 3.07Å; P1725-P1752 HydrophobicContact CB-CB 4.47Å; P1725-P1752 HydrophobicContact CG-CB 3.46Å; P1725-P1752 VanDerWaalsContact CG-CB 3.46Å; P1725-P1752 HydrophobicContact CG-CG 4.48Å; P1725-L1756 HydrophobicContact CB-CD2 4.32Å | ||
| 1726 | S | 88.2 | Confident | 76.8 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 21% | 0.21 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.9 | 174.8 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | Y1715 G1716 N1724 F1734 | Y1715-S1726 WeakPolarHBondContact CA-O 3.25Å; G1716-S1726 PolarHBondContact N-O 3.5Å; N1724-S1726 PolarHBondContact O-N 3.07Å; S1726-F1734 CarbonylContact C-O 3.59Å; S1726-F1734 WeakPolarHBondContact CA-O 3.25Å; S1726-F1734 WeakPolarHBondContact CB-O 3.48Å |
| 1727 | C | 90.6 | Very high | 77 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 127.9 | 179.7 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | Q1714 Y1715 F1734 L1756 I1760 | Q1714-C1727 CarbonylContact O-C 3.59Å; Q1714-C1727 WeakPolarHBondContact O-CA 3.26Å; Y1715-C1727 HydrophobicContact CD1-CB 3.69Å; Y1715-C1727 HydrophobicContact CE1-CB 3.73Å; Y1715-C1727 VanDerWaalsContact CE1-SG 3.53Å; Y1715-C1727 HydrophobicContact CG-CB 4.45Å; C1727-F1734 PolarHBondContact N-O 2.67Å; C1727-F1734 PolarHBondContact O-N 3.29Å; C1727-L1756 HydrophobicContact CB-CD2 3.64Å; C1727-L1756 HydrophobicContact CB-CG 4.15Å; C1727-I1760 HydrophobicContact CB-CD1 3.91Å |
| 1728 | R | 85 | Confident | 77.7 | Confident | 120 Ų | 120 | 74.8 Ų | 74.8 | 45% | 0.453 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.1 | 173 | -177.3 | -176 | -76.4 | 152.5 | -8.7 | 110.1 | P1713 Q1714 R1732 V1733 | P1713-R1728 WeakPolarHBondContact CA-O 3.23Å; Q1714-R1728 HydrophobicContact CB-CB 4.26Å; Q1714-R1728 PolarHBondContact N-O 3.07Å; Q1714-R1728 PolarHBondContact O-N 3.14Å; R1728-R1732 VanDerWaalsContact CA-O 3.28Å; R1728-R1732 WeakPolarHBondContact CA-O 3.43Å; R1728-V1733 HydrophobicContact CB-CG2 4.17Å; R1728-V1733 HydrophobicContact CG-CG2 4.23Å |
| 1729 | V | 81.1 | Confident | 78.7 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121 | 173 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | I1434 L1701 P1713 Q1731 R1732 F1734 I1760 | I1434-V1729 WeakPolarHBondContact CG2-O 3.35Å; L1701-V1729 HydrophobicContact CD1-CG2 4.44Å; L1701-V1729 HydrophobicContact CD2-CG2 4.04Å; L1701-V1729 HydrophobicContact CG-CG2 4.48Å; P1713-V1729 HydrophobicContact CB-CG2 4.21Å; P1713-V1729 HydrophobicContact CG-CG2 4.49Å; V1729-Q1731 PolarHBondContact O-N 3.16Å; V1729-R1732 PolarHBondContact N-O 2.75Å; V1729-R1732 PolarHBondContact O-N 2.69Å; V1729-F1734 HydrophobicContact CB-CE2 4.21Å; V1729-I1760 HydrophobicContact CG2-CD1 4.4Å; V1729-I1760 HydrophobicContact CG2-CG2 4.42Å |
| 1730 | G | 74.3 | Confident | 79.6 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -124.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1731 | Q | 72.1 | Confident | 80.7 | Confident | 126 Ų | 126 | 72.7 Ų | 72.7 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -10.2 | 176.7 | -60.4 | -154.4 | 0.8 | 0 | 0 | 114.1 | V1729 | V1729-Q1731 PolarHBondContact O-N 3.16Š|
| 1732 | R | 77.1 | Confident | 81.5 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139 | -175.1 | -165.1 | 166.5 | -177.8 | 157.4 | -2 | 112.3 | I1434 R1728 V1729 F1734 | I1434-R1732 HydrophobicContact CB-CB 4.43Å; I1434-R1732 HydrophobicContact CG1-CB 4.38Å; I1434-R1732 HydrophobicContact CG2-CB 3.88Å; R1728-R1732 VanDerWaalsContact CA-O 3.28Å; R1728-R1732 WeakPolarHBondContact CA-O 3.43Å; V1729-R1732 PolarHBondContact N-O 2.75Å; V1729-R1732 PolarHBondContact O-N 2.69Å; R1732-F1734 HydrophobicContact CB-CE2 4.08Å; R1732-F1734 HydrophobicContact CB-CZ 4.28Å; R1732-F1734 HydrophobicContact CG-CE1 4.38Å; R1732-F1734 HydrophobicContact CG-CE2 4.15Å; R1732-F1734 HydrophobicContact CG-CZ 4.03Å |
| 1733 | V | 84.3 | Confident | 82.4 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.6 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | R1728 | R1728-V1733 HydrophobicContact CB-CG2 4.17Å; R1728-V1733 HydrophobicContact CG-CG2 4.23Å |
| 1734 | F | 87.7 | Confident | 82.7 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.1 | 175.8 | -62.5 | -86.2 | 0 | 0 | 0 | 109.4 | I1434 S1726 C1727 V1729 R1732 F1739 L1756 I1760 | I1434-F1734 HydrophobicContact CD1-CZ 4.11Å; I1434-F1734 HydrophobicContact CG1-CZ 4.27Å; S1726-F1734 CarbonylContact C-O 3.59Å; S1726-F1734 WeakPolarHBondContact CA-O 3.25Å; S1726-F1734 WeakPolarHBondContact CB-O 3.48Å; C1727-F1734 PolarHBondContact N-O 2.67Å; C1727-F1734 PolarHBondContact O-N 3.29Å; V1729-F1734 HydrophobicContact CB-CE2 4.21Å; R1732-F1734 HydrophobicContact CB-CE2 4.08Å; R1732-F1734 HydrophobicContact CB-CZ 4.28Å; R1732-F1734 HydrophobicContact CG-CE1 4.38Å; R1732-F1734 HydrophobicContact CG-CE2 4.15Å; R1732-F1734 HydrophobicContact CG-CZ 4.03Å; F1734-F1739 HydrophobicContact CB-CE2 4.25Å; F1734-F1739 HydrophobicContact CD1-CE2 4.27Å; F1734-F1739 AromaticContact CD1-CZ 3.86Å; F1734-F1739 HydrophobicContact CD1-CZ 3.86Å; F1734-L1756 HydrophobicContact CB-CD1 4.05Å; F1734-I1760 HydrophobicContact CB-CD1 3.81Å; F1734-I1760 HydrophobicContact CB-CG1 3.85Å; F1734-I1760 HydrophobicContact CD1-CG1 4.1Å; F1734-I1760 HydrophobicContact CD2-CD1 3.78Å; F1734-I1760 HydrophobicContact CD2-CG1 3.84Å; F1734-I1760 HydrophobicContact CD2-CG2 4.42Å; F1734-I1760 HydrophobicContact CE2-CG1 4.4Å; F1734-I1760 HydrophobicContact CE2-CG2 4.21Å; F1734-I1760 HydrophobicContact CG-CD1 3.9Å; F1734-I1760 HydrophobicContact CG-CG1 3.66Å; F1734-I1760 HydrophobicContact CZ-CG2 4.44Å |
| 1735 | V | 88.9 | Confident | 82.5 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.6 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 109 | N1724 E1737 D1738 F1739 | N1724-V1735 HydrophobicContact CB-CG1 3.73Å; V1735-E1737 VanDerWaalsContact C-N 3.33Å; V1735-E1737 PolarHBondContact O-N 3.26Å; V1735-D1738 WeakPolarHBondContact O-CB 3.3Å; V1735-D1738 PolarHBondContact O-N 3.12Å; V1735-F1739 WeakPolarHBondContact O-CD2 3.45Å |
| 1736 | L | 87.9 | Confident | 82.2 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | -175 | -178 | 61.8 | 0 | 0 | 0 | 113.5 | P1725 D1738 F1739 E1740 P1752 R1755 L1756 | P1725-L1736 HydrophobicContact CB-CB 4.47Å; P1725-L1736 HydrophobicContact CG-CB 4.44Å; P1725-L1736 HydrophobicContact CG-CD2 3.97Å; P1725-L1736 PolarHBondContact O-N 2.65Å; P1725-L1736 VanDerWaalsContact O-N 3.07Å; L1736-D1738 PolarHBondContact O-N 2.73Å; L1736-F1739 PolarHBondContact O-N 3.3Å; L1736-F1739 VanDerWaalsContact O-N 3.15Å; L1736-E1740 HydrophobicContact CD1-CG 4.16Å; L1736-E1740 PolarHBondContact O-N 2.91Å; L1736-P1752 HydrophobicContact CD2-CB 3.64Å; L1736-R1755 HydrophobicContact CD1-CB 4Å; L1736-L1756 HydrophobicContact CB-CB 4.38Å; L1736-L1756 HydrophobicContact CB-CD1 4.36Å; L1736-L1756 HydrophobicContact CD1-CB 4.03Å |
| 1737 | E | 85.7 | Confident | 81.7 | Confident | 108 Ų | 108 | 71.3 Ų | 71.3 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -29.4 | -178.2 | -171.2 | 174 | -165.4 | 0 | 0 | 112.7 | N1724 V1735 F1739 E1740 R1741 | N1724-E1737 PolarHBondContact ND2-OE2 2.85Å; V1735-E1737 VanDerWaalsContact C-N 3.33Å; V1735-E1737 PolarHBondContact O-N 3.26Å; E1737-F1739 PolarHBondContact O-N 3.22Å; E1737-E1740 PolarHBondContact O-N 2.78Å; E1737-R1741 PolarHBondContact O-N 3.17Å |
| 1738 | D | 85.7 | Confident | 81.5 | Confident | 122 Ų | 122 | 71.8 Ų | 71.8 | 65% | 0.652 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64 | -28.1 | 179.6 | -62.8 | -23.4 | 0 | 0 | 0 | 112.4 | V1735 L1736 | V1735-D1738 WeakPolarHBondContact O-CB 3.3Å; V1735-D1738 PolarHBondContact O-N 3.12Å; L1736-D1738 PolarHBondContact O-N 2.73Å |
| 1739 | F | 86.4 | Confident | 81.6 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -90.6 | -30.1 | -179.8 | -62.8 | -81.1 | 0 | 0 | 0 | 113 | F1734 V1735 L1736 E1737 L1756 H1759 K1763 | F1734-F1739 HydrophobicContact CB-CE2 4.25Å; F1734-F1739 HydrophobicContact CD1-CE2 4.27Å; F1734-F1739 AromaticContact CD1-CZ 3.86Å; F1734-F1739 HydrophobicContact CD1-CZ 3.86Å; V1735-F1739 WeakPolarHBondContact O-CD2 3.45Å; L1736-F1739 PolarHBondContact O-N 3.3Å; L1736-F1739 VanDerWaalsContact O-N 3.15Å; E1737-F1739 PolarHBondContact O-N 3.22Å; F1739-L1756 HydrophobicContact CD2-CD1 4.25Å; F1739-L1756 HydrophobicContact CE2-CD1 4.02Å; F1739-H1759 HydrophobicContact CB-CB 4.14Å; F1739-H1759 HydrophobicContact CD1-CB 3.76Å; F1739-H1759 HydrophobicContact CD2-CB 3.8Å; F1739-H1759 HydrophobicContact CE1-CB 4.02Å; F1739-H1759 HydrophobicContact CE2-CB 4.06Å; F1739-H1759 HydrophobicContact CG-CB 3.63Å; F1739-H1759 AromaticContact CG-CG 3.7Å; F1739-H1759 HydrophobicContact CZ-CB 4.16Å; F1739-K1763 HydrophobicContact CE1-CG 4.13Å |
| 1740 | E | 86.7 | Confident | 81.9 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 19% | 0.192 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -106.8 | 5.3 | -168.1 | -58.1 | -175 | 155 | 0 | 0 | 114.1 | L1736 E1737 G1742 M1743 R1755 H1759 | L1736-E1740 HydrophobicContact CD1-CG 4.16Å; L1736-E1740 PolarHBondContact O-N 2.91Å; E1737-E1740 PolarHBondContact O-N 2.78Å; E1740-G1742 PolarHBondContact O-N 3.23Å; E1740-G1742 VanDerWaalsContact O-N 3.1Å; E1740-M1743 HydrophobicContact CB-CG 4.5Å; E1740-M1743 HydrophobicContact CB-SD 3.84Å; E1740-M1743 HydrophobicContact CG-SD 3.78Å; E1740-M1743 PolarHBondContact O-N 2.76Å; E1740-M1743 VanDerWaalsContact O-N 3.16Å; E1740-R1755 IonicContact OE1-CZ 2.65Å; E1740-R1755 IonicContact OE1-NH1 3.6Å; E1740-R1755 PolarHBondContact OE1-NH1 2.84Å; E1740-R1755 IonicContact OE2-CZ 3.53Å; E1740-R1755 IonicContact OE2-NH1 3.5Å; E1740-R1755 PolarHBondContact OE2-NH1 3.35Å; E1740-H1759 IonicContact OE1-NE2 2.82Å; E1740-H1759 PolarHBondContact OE1-NE2 2.84Å |
| 1741 | R | 82.6 | Confident | 82.7 | Confident | 220 Ų | 220 | 70.4 Ų | 70.4 | 83% | 0.83 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 114.1 | 178.5 | -168.7 | 175.2 | -176.3 | -176.6 | 0.2 | 111 | E1737 | E1737-R1741 PolarHBondContact O-N 3.17Š|
| 1742 | G | 78.5 | Confident | 83.5 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 85% | 0.845 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 4.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | E1740 | E1740-G1742 PolarHBondContact O-N 3.23Å; E1740-G1742 VanDerWaalsContact O-N 3.1Å |
| 1743 | M | 79.6 | Confident | 84.1 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | trans | -64.2 | 146.9 | 172.7 | -73.1 | -177.2 | 73.7 | 0 | 0 | 111.8 | E1740 | E1740-M1743 HydrophobicContact CB-CG 4.5Å; E1740-M1743 HydrophobicContact CB-SD 3.84Å; E1740-M1743 HydrophobicContact CG-SD 3.78Å; E1740-M1743 PolarHBondContact O-N 2.76Å; E1740-M1743 VanDerWaalsContact O-N 3.16Å | ||
| 1744 | V | 74.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | trans | -67.3 | 134.8 | 172.2 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | N1746 | V1744-N1746 PolarHBondContact O-N 2.86Š| ||
| 1745 | P | 71 | Confident | 84.8 | Confident | 112 Ų | 112 | 63.8 Ų | 63.8 | 73% | 0.727 | 35% | 0.35 | S | S | * | . | trans | -59 | 111.5 | 178.2 | -24 | 33.5 | 0 | 0 | 0 | 111.5 | ||||
| 1746 | N | 78.2 | Confident | 85 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | trans | -102.7 | 117.6 | 175.5 | 178.1 | -9.9 | 0 | 0 | 0 | 109.5 | V1744 H1748 L1749 | V1744-N1746 PolarHBondContact O-N 2.86Å; N1746-H1748 VanDerWaalsContact C-N 3.26Å; N1746-H1748 PolarHBondContact O-N 2.55Å; N1746-H1748 WeakPolarHBondContact OD1-CB 3.5Å; N1746-H1748 PolarHBondContact OD1-CD2 2.99Å; N1746-H1748 PolarHBondContact OD1-N 3.37Å; N1746-L1749 HydrophobicContact CB-CD1 4.07Å; N1746-L1749 HydrophobicContact CB-CD2 4.5Å; N1746-L1749 HydrophobicContact CB-CG 3.89Å; N1746-L1749 WeakPolarHBondContact O-CD1 3.27Å; N1746-L1749 VanDerWaalsContact O-CG 3.28Å; N1746-L1749 WeakPolarHBondContact O-CG 3.35Å; N1746-L1749 PolarHBondContact O-N 2.86Å | ||
| 1747 | P | 76.7 | Confident | 85.3 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 43% | 0.429 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -10.3 | -175.4 | 28.3 | -31.3 | 0 | 0 | 0 | 114.4 | L1467 L1749 | L1467-P1747 HydrophobicContact CD1-CB 3.56Å; L1467-P1747 HydrophobicContact CD1-CG 3.67Å; L1467-P1747 HydrophobicContact CD2-CB 4.14Å; L1467-P1747 HydrophobicContact CD2-CG 3.24Å; L1467-P1747 HydrophobicContact CG-CB 4.43Å; L1467-P1747 HydrophobicContact CG-CG 4.01Å; P1747-L1749 VanDerWaalsContact C-N 3.35Å |
| 1748 | H | 86.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.4 | 178.7 | -58.2 | -66.4 | 0 | 0 | 0 | 113.8 | D1471 Y1498 C1684 V1685 S1686 N1746 G1750 | D1471-H1748 IonicContact OD1-NE2 2.69Å; D1471-H1748 PolarHBondContact OD1-NE2 3.24Å; D1471-H1748 IonicContact OD2-CE1 3.5Å; D1471-H1748 PolarHBondContact OD2-CE1 3.09Å; D1471-H1748 IonicContact OD2-NE2 3.3Å; D1471-H1748 PolarHBondContact OD2-NE2 3.47Å; Y1498-H1748 PolarHBondContact OH-CD2 2.91Å; Y1498-H1748 PolarHBondContact OH-NE2 3.29Å; C1684-H1748 CarbonylContact C-O 3.57Å; C1684-H1748 VanDerWaalsContact CA-O 3.22Å; C1684-H1748 WeakPolarHBondContact CA-O 3.21Å; C1684-H1748 HydrophobicContact CB-CB 3.96Å; V1685-H1748 PolarHBondContact N-O 3.26Å; S1686-H1748 VanDerWaalsContact O-CB 3.29Å; S1686-H1748 WeakPolarHBondContact O-CB 3.36Å; S1686-H1748 PolarHBondContact OG-ND1 2.87Å; N1746-H1748 VanDerWaalsContact C-N 3.26Å; N1746-H1748 PolarHBondContact O-N 2.55Å; N1746-H1748 WeakPolarHBondContact OD1-CB 3.5Å; N1746-H1748 PolarHBondContact OD1-CD2 2.99Å; N1746-H1748 PolarHBondContact OD1-N 3.37Å; H1748-G1750 PolarHBondContact O-N 2.84Å |
| 1749 | L | 87 | Confident | 86.1 | Confident | 48 Ų | 48 | 51.7 Ų | 51.7 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -56.8 | 130.1 | -177.6 | -73.8 | 176 | 0 | 0 | 0 | 111.7 | N1746 P1747 | N1746-L1749 HydrophobicContact CB-CD1 4.07Å; N1746-L1749 HydrophobicContact CB-CD2 4.5Å; N1746-L1749 HydrophobicContact CB-CG 3.89Å; N1746-L1749 WeakPolarHBondContact O-CD1 3.27Å; N1746-L1749 VanDerWaalsContact O-CG 3.28Å; N1746-L1749 WeakPolarHBondContact O-CG 3.35Å; N1746-L1749 PolarHBondContact O-N 2.86Å; P1747-L1749 VanDerWaalsContact C-N 3.35Å |
| 1750 | G | 89.2 | Confident | 86.3 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | trans | -76.5 | -174.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1683 H1748 R1755 | Y1683-G1750 PolarHBondContact O-N 2.96Å; H1748-G1750 PolarHBondContact O-N 2.84Å; G1750-R1755 WeakPolarHBondContact O-CD 3.47Å; G1750-R1755 PolarHBondContact O-NE 3.17Å | ||
| 1751 | P | 90.4 | Very high | 86.6 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | trans | -50.5 | 140.4 | 176.2 | 17.5 | -33.5 | 0 | 0 | 0 | 113.4 | Y1683 K1753 E1754 R1755 | Y1683-P1751 HydrophobicContact CE1-CG 4.14Å; P1751-K1753 VanDerWaalsContact C-N 3.27Å; P1751-K1753 PolarHBondContact O-N 2.88Å; P1751-K1753 VanDerWaalsContact O-N 3.16Å; P1751-E1754 HydrophobicContact CG-CB 4.43Å; P1751-E1754 HydrophobicContact CG-CG 4.01Å; P1751-E1754 PolarHBondContact O-N 2.94Å; P1751-R1755 PolarHBondContact O-N 3.48Å | ||
| 1752 | P | 87.9 | Confident | 87 | Confident | 58 Ų | 58 | 38.6 Ų | 38.6 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.3 | -34.2 | -176.4 | -22.5 | 28.1 | 0 | 0 | 0 | 115.5 | P1725 L1736 R1755 L1756 | P1725-P1752 HydrophobicContact CB-CB 4.47Å; P1725-P1752 HydrophobicContact CG-CB 3.46Å; P1725-P1752 VanDerWaalsContact CG-CB 3.46Å; P1725-P1752 HydrophobicContact CG-CG 4.48Å; L1736-P1752 HydrophobicContact CD2-CB 3.64Å; P1752-R1755 PolarHBondContact O-N 2.76Å; P1752-L1756 PolarHBondContact O-N 3.03Å |
| 1753 | K | 90 | Very high | 87.4 | Confident | 93 Ų | 93 | 40.9 Ų | 40.9 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 178.8 | -176.6 | -165.9 | 171.2 | -147.7 | 0 | 112.1 | S1698 Y1715 P1751 L1756 A1757 | S1698-K1753 PolarHBondContact OG-NZ 3.06Å; Y1715-K1753 HydrophobicContact CD1-CG 3.81Å; Y1715-K1753 HydrophobicContact CE1-CG 3.81Å; Y1715-K1753 HydrophobicContact CG-CG 4.32Å; P1751-K1753 VanDerWaalsContact C-N 3.27Å; P1751-K1753 PolarHBondContact O-N 2.88Å; P1751-K1753 VanDerWaalsContact O-N 3.16Å; K1753-L1756 PolarHBondContact O-N 2.75Å; K1753-A1757 PolarHBondContact O-N 3.05Å; K1753-A1757 VanDerWaalsContact O-N 3.08Å |
| 1754 | E | 94.2 | Very high | 87.7 | Confident | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74 | -33.7 | -177.4 | -57.9 | -49.8 | 139.8 | 0 | 0 | 111.6 | Y1683 P1697 S1698 P1751 A1757 L1758 | Y1683-E1754 HydrophobicContact CD1-CB 3.52Å; Y1683-E1754 HydrophobicContact CE1-CB 3.42Å; Y1683-E1754 VanDerWaalsContact CE1-CB 3.42Å; Y1683-E1754 HydrophobicContact CE1-CG 3.97Å; Y1683-E1754 HydrophobicContact CE2-CB 4.46Å; Y1683-E1754 HydrophobicContact CG-CB 4.1Å; P1697-E1754 HydrophobicContact CB-CB 4.4Å; P1697-E1754 WeakPolarHBondContact CB-O 3.44Å; P1697-E1754 HydrophobicContact CG-CB 4.14Å; S1698-E1754 VanDerWaalsContact CB-OE2 3.22Å; S1698-E1754 WeakPolarHBondContact CB-OE2 3.43Å; S1698-E1754 PolarHBondContact N-OE2 2.87Å; S1698-E1754 VanDerWaalsContact OG-CD 3.23Å; S1698-E1754 PolarHBondContact OG-OE1 2.99Å; S1698-E1754 PolarHBondContact OG-OE2 2.91Å; P1751-E1754 HydrophobicContact CG-CB 4.43Å; P1751-E1754 HydrophobicContact CG-CG 4.01Å; P1751-E1754 PolarHBondContact O-N 2.94Å; E1754-A1757 PolarHBondContact O-N 2.48Å; E1754-L1758 WeakPolarHBondContact O-CB 3.31Å; E1754-L1758 PolarHBondContact O-N 2.83Å |
| 1755 | R | 93 | Very high | 88.1 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 170.9 | -69.6 | -174.9 | -66.9 | 123.8 | -1.1 | 111.7 | Y1683 L1736 E1740 G1750 P1751 P1752 A1757 L1758 H1759 | Y1683-R1755 HydrophobicContact CD1-CG 4.26Å; L1736-R1755 HydrophobicContact CD1-CB 4Å; E1740-R1755 IonicContact OE1-CZ 2.65Å; E1740-R1755 IonicContact OE1-NH1 3.6Å; E1740-R1755 PolarHBondContact OE1-NH1 2.84Å; E1740-R1755 IonicContact OE2-CZ 3.53Å; E1740-R1755 IonicContact OE2-NH1 3.5Å; E1740-R1755 PolarHBondContact OE2-NH1 3.35Å; G1750-R1755 WeakPolarHBondContact O-CD 3.47Å; G1750-R1755 PolarHBondContact O-NE 3.17Å; P1751-R1755 PolarHBondContact O-N 3.48Å; P1752-R1755 PolarHBondContact O-N 2.76Å; R1755-A1757 VanDerWaalsContact C-N 3.34Å; R1755-A1757 PolarHBondContact O-N 2.91Å; R1755-L1758 PolarHBondContact O-N 2.7Å; R1755-H1759 PolarHBondContact O-CD2 2.78Å; R1755-H1759 PolarHBondContact O-N 2.86Å |
| 1756 | L | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.7 | 178.9 | 56.7 | 0 | 0 | 0 | 111.6 | P1725 C1727 F1734 L1736 F1739 P1752 K1753 L1758 H1759 I1760 | P1725-L1756 HydrophobicContact CB-CD2 4.32Å; C1727-L1756 HydrophobicContact CB-CD2 3.64Å; C1727-L1756 HydrophobicContact CB-CG 4.15Å; F1734-L1756 HydrophobicContact CB-CD1 4.05Å; L1736-L1756 HydrophobicContact CB-CB 4.38Å; L1736-L1756 HydrophobicContact CB-CD1 4.36Å; L1736-L1756 HydrophobicContact CD1-CB 4.03Å; F1739-L1756 HydrophobicContact CD2-CD1 4.25Å; F1739-L1756 HydrophobicContact CE2-CD1 4.02Å; P1752-L1756 PolarHBondContact O-N 3.03Å; K1753-L1756 PolarHBondContact O-N 2.75Å; L1756-L1758 PolarHBondContact O-N 3.32Å; L1756-H1759 PolarHBondContact O-N 3.16Å; L1756-I1760 HydrophobicContact CD1-CD1 4.27Å; L1756-I1760 HydrophobicContact CD1-CG1 4.43Å; L1756-I1760 HydrophobicContact CG-CD1 4.17Å; L1756-I1760 VanDerWaalsContact O-CG1 3.3Å; L1756-I1760 WeakPolarHBondContact O-CG1 3.45Å; L1756-I1760 PolarHBondContact O-N 3.4Å; L1756-I1760 VanDerWaalsContact O-N 3.08Å |
| 1757 | A | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1697 L1701 Y1715 K1753 E1754 R1755 I1760 L1761 | P1697-A1757 HydrophobicContact CB-CB 3.87Å; L1701-A1757 HydrophobicContact CD2-CB 4.24Å; Y1715-A1757 WeakPolarHBondContact OH-CB 3.35Å; K1753-A1757 PolarHBondContact O-N 3.05Å; K1753-A1757 VanDerWaalsContact O-N 3.08Å; E1754-A1757 PolarHBondContact O-N 2.48Å; R1755-A1757 VanDerWaalsContact C-N 3.34Å; R1755-A1757 PolarHBondContact O-N 2.91Å; A1757-I1760 PolarHBondContact O-N 2.87Å; A1757-L1761 WeakPolarHBondContact O-CG 3.3Å; A1757-L1761 PolarHBondContact O-N 3.32Å |
| 1758 | L | 94.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 176.9 | -176.6 | 61.5 | 0 | 0 | 0 | 112.6 | L1679 P1680 S1682 Y1683 W1691 P1697 E1754 R1755 L1756 I1760 L1761 N1762 | L1679-L1758 HydrophobicContact CB-CD1 4.26Å; L1679-L1758 HydrophobicContact CD2-CD1 4Å; P1680-L1758 HydrophobicContact CG-CD2 4.16Å; P1680-L1758 WeakPolarHBondContact O-CD2 3.33Å; S1682-L1758 VanDerWaalsContact C-CD2 3.41Å; Y1683-L1758 VanDerWaalsContact N-CD2 3.33Å; W1691-L1758 HydrophobicContact CH2-CD1 4.1Å; W1691-L1758 HydrophobicContact CZ3-CD1 3.81Å; W1691-L1758 HydrophobicContact CZ3-CD2 4.06Å; P1697-L1758 HydrophobicContact CB-CB 4.02Å; P1697-L1758 HydrophobicContact CG-CB 4.21Å; E1754-L1758 WeakPolarHBondContact O-CB 3.31Å; E1754-L1758 PolarHBondContact O-N 2.83Å; R1755-L1758 PolarHBondContact O-N 2.7Å; L1756-L1758 PolarHBondContact O-N 3.32Å; L1758-I1760 VanDerWaalsContact C-N 3.29Å; L1758-I1760 PolarHBondContact O-N 3.34Å; L1758-L1761 PolarHBondContact O-N 2.82Å; L1758-N1762 PolarHBondContact O-N 3.49Å; L1758-N1762 PolarHBondContact O-ND2 2.89Å |
| 1759 | H | 93.2 | Very high | 91 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 9% | 0.093 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 174.7 | -77.8 | -51.8 | 0 | 0 | 0 | 112.2 | F1739 E1740 R1755 L1756 K1763 | F1739-H1759 HydrophobicContact CB-CB 4.14Å; F1739-H1759 HydrophobicContact CD1-CB 3.76Å; F1739-H1759 HydrophobicContact CD2-CB 3.8Å; F1739-H1759 HydrophobicContact CE1-CB 4.02Å; F1739-H1759 HydrophobicContact CE2-CB 4.06Å; F1739-H1759 HydrophobicContact CG-CB 3.63Å; F1739-H1759 AromaticContact CG-CG 3.7Å; F1739-H1759 HydrophobicContact CZ-CB 4.16Å; E1740-H1759 IonicContact OE1-NE2 2.82Å; E1740-H1759 PolarHBondContact OE1-NE2 2.84Å; R1755-H1759 PolarHBondContact O-CD2 2.78Å; R1755-H1759 PolarHBondContact O-N 2.86Å; L1756-H1759 PolarHBondContact O-N 3.16Å; H1759-K1763 PolarHBondContact O-N 2.82Å |
| 1760 | I | 90.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 174.2 | -63.3 | 164.9 | 0 | 0 | 0 | 110.3 | L1701 C1727 V1729 F1734 L1756 A1757 L1758 N1762 K1763 | L1701-I1760 HydrophobicContact CD1-CB 4.48Å; L1701-I1760 HydrophobicContact CD1-CG2 3.79Å; L1701-I1760 HydrophobicContact CD2-CB 4.37Å; L1701-I1760 HydrophobicContact CD2-CD1 4.02Å; L1701-I1760 HydrophobicContact CD2-CG2 4.26Å; C1727-I1760 HydrophobicContact CB-CD1 3.91Å; V1729-I1760 HydrophobicContact CG2-CD1 4.4Å; V1729-I1760 HydrophobicContact CG2-CG2 4.42Å; F1734-I1760 HydrophobicContact CB-CD1 3.81Å; F1734-I1760 HydrophobicContact CB-CG1 3.85Å; F1734-I1760 HydrophobicContact CD1-CG1 4.1Å; F1734-I1760 HydrophobicContact CD2-CD1 3.78Å; F1734-I1760 HydrophobicContact CD2-CG1 3.84Å; F1734-I1760 HydrophobicContact CD2-CG2 4.42Å; F1734-I1760 HydrophobicContact CE2-CG1 4.4Å; F1734-I1760 HydrophobicContact CE2-CG2 4.21Å; F1734-I1760 HydrophobicContact CG-CD1 3.9Å; F1734-I1760 HydrophobicContact CG-CG1 3.66Å; F1734-I1760 HydrophobicContact CZ-CG2 4.44Å; L1756-I1760 HydrophobicContact CD1-CD1 4.27Å; L1756-I1760 HydrophobicContact CD1-CG1 4.43Å; L1756-I1760 HydrophobicContact CG-CD1 4.17Å; L1756-I1760 VanDerWaalsContact O-CG1 3.3Å; L1756-I1760 WeakPolarHBondContact O-CG1 3.45Å; L1756-I1760 PolarHBondContact O-N 3.4Å; L1756-I1760 VanDerWaalsContact O-N 3.08Å; A1757-I1760 PolarHBondContact O-N 2.87Å; L1758-I1760 VanDerWaalsContact C-N 3.29Å; L1758-I1760 PolarHBondContact O-N 3.34Å; I1760-N1762 VanDerWaalsContact C-N 3.32Å; I1760-N1762 PolarHBondContact O-N 2.9Å; I1760-K1763 WeakPolarHBondContact O-CB 3.48Å; I1760-K1763 PolarHBondContact O-N 2.86Å; I1760-K1763 VanDerWaalsContact O-N 3.08Å |
| 1761 | L | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 178.4 | -71.2 | 169.1 | 0 | 0 | 0 | 112.4 | L1679 P1697 I1700 L1701 V1704 A1757 L1758 K1763 L1764 L1766 | L1679-L1761 HydrophobicContact CD1-CB 3.82Å; L1679-L1761 HydrophobicContact CD2-CD1 4.45Å; P1697-L1761 HydrophobicContact CB-CD1 4.43Å; P1697-L1761 WeakPolarHBondContact O-CD1 3.27Å; I1700-L1761 HydrophobicContact CB-CD1 3.87Å; I1700-L1761 HydrophobicContact CG2-CD1 3.71Å; I1700-L1761 HydrophobicContact CG2-CD2 3.87Å; I1700-L1761 HydrophobicContact CG2-CG 4.47Å; L1701-L1761 HydrophobicContact CB-CD2 4.18Å; L1701-L1761 HydrophobicContact CB-CG 4.3Å; L1701-L1761 HydrophobicContact CD1-CD2 3.97Å; L1701-L1761 HydrophobicContact CD1-CG 4.32Å; V1704-L1761 HydrophobicContact CG2-CD2 4.07Å; A1757-L1761 WeakPolarHBondContact O-CG 3.3Å; A1757-L1761 PolarHBondContact O-N 3.32Å; L1758-L1761 PolarHBondContact O-N 2.82Å; L1761-K1763 PolarHBondContact O-N 3.39Å; L1761-L1764 HydrophobicContact CD2-CD1 4.37Å; L1761-L1764 WeakPolarHBondContact O-CB 3.15Å; L1761-L1764 PolarHBondContact O-N 3.02Å; L1761-L1766 HydrophobicContact CB-CD1 4.38Å; L1761-L1766 HydrophobicContact CD2-CD1 3.75Å |
| 1762 | N | 91.7 | Very high | 92 | Very high | 33 Ų | 33 | 27 Ų | 27 | 18% | 0.176 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.9 | 177.1 | -87.7 | -60.7 | 0 | 0 | 0 | 114.3 | P1680 L1758 I1760 | P1680-N1762 PolarHBondContact O-ND2 2.89Å; L1758-N1762 PolarHBondContact O-N 3.49Å; L1758-N1762 PolarHBondContact O-ND2 2.89Å; I1760-N1762 VanDerWaalsContact C-N 3.32Å; I1760-N1762 PolarHBondContact O-N 2.9Å |
| 1763 | K | 86.2 | Confident | 92.4 | Very high | 129 Ų | 129 | 24.6 Ų | 24.6 | 56% | 0.561 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15.2 | 171.8 | -66.6 | -64.2 | -176.3 | -177.5 | 0 | 113.2 | F1739 H1759 I1760 L1761 | F1739-K1763 HydrophobicContact CE1-CG 4.13Å; H1759-K1763 PolarHBondContact O-N 2.82Å; I1760-K1763 WeakPolarHBondContact O-CB 3.48Å; I1760-K1763 PolarHBondContact O-N 2.86Å; I1760-K1763 VanDerWaalsContact O-N 3.08Å; L1761-K1763 PolarHBondContact O-N 3.39Å |
| 1764 | L | 85.8 | Confident | 92.7 | Very high | 16 Ų | 16 | 20.8 Ų | 20.8 | 8% | 0.084 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -83.1 | 157.8 | 174.5 | -58.8 | 178.6 | 0 | 0 | 0 | 109.6 | L1431 V1704 L1761 L1766 | L1431-L1764 HydrophobicContact CD2-CD2 4.06Å; L1431-L1764 HydrophobicContact CG-CD2 4.43Å; V1704-L1764 HydrophobicContact CG1-CD1 3.74Å; L1761-L1764 HydrophobicContact CD2-CD1 4.37Å; L1761-L1764 WeakPolarHBondContact O-CB 3.15Å; L1761-L1764 PolarHBondContact O-N 3.02Å; L1764-L1766 HydrophobicContact CB-CD1 4.15Å; L1764-L1766 HydrophobicContact CB-CG 3.92Å; L1764-L1766 HydrophobicContact CD1-CD1 4.36Å; L1764-L1766 PolarHBondContact O-N 2.98Å |
| 1765 | P | 83.7 | Confident | 92.6 | Very high | 48 Ų | 48 | 22.8 Ų | 22.8 | 31% | 0.312 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -74.3 | 46.8 | 179.1 | 32.7 | -37.1 | 0 | 0 | 0 | 112 | I1428 Y1673 | I1428-P1765 HydrophobicContact CD1-CG 4.3Å; I1428-P1765 HydrophobicContact CG2-CG 4.07Å; Y1673-P1765 WeakPolarHBondContact CD1-O 3.11Å |
| 1766 | L | 90.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -90.7 | 152.7 | 179.4 | -59.6 | 177.5 | 0 | 0 | 0 | 110.6 | K1672 Y1673 R1674 L1679 V1704 L1761 L1764 K1768 | K1672-L1766 WeakPolarHBondContact O-CD2 3.19Å; Y1673-L1766 CarbonylContact O-C 3.58Å; Y1673-L1766 WeakPolarHBondContact O-CA 3.48Å; R1674-L1766 HydrophobicContact CB-CD2 4.1Å; L1679-L1766 HydrophobicContact CD1-CB 3.82Å; L1679-L1766 HydrophobicContact CD1-CD1 3.85Å; L1679-L1766 HydrophobicContact CD1-CG 4.5Å; V1704-L1766 HydrophobicContact CG2-CD1 4.23Å; L1761-L1766 HydrophobicContact CB-CD1 4.38Å; L1761-L1766 HydrophobicContact CD2-CD1 3.75Å; L1764-L1766 HydrophobicContact CB-CD1 4.15Å; L1764-L1766 HydrophobicContact CB-CG 3.92Å; L1764-L1766 HydrophobicContact CD1-CD1 4.36Å; L1764-L1766 PolarHBondContact O-N 2.98Å; L1766-K1768 PolarHBondContact O-N 3.03Å; L1766-K1768 VanDerWaalsContact O-N 3.15Å |
| 1767 | V | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 117.6 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 109.6 | L1508 F1514 F1517 Y1673 A1675 L1679 H1770 | L1508-V1767 HydrophobicContact CD1-CG1 4.47Å; L1508-V1767 HydrophobicContact CD2-CG1 3.91Å; L1508-V1767 HydrophobicContact CD2-CG2 4.19Å; F1514-V1767 HydrophobicContact CD2-CG2 4.43Å; F1514-V1767 HydrophobicContact CE1-CG2 4.31Å; F1514-V1767 HydrophobicContact CE2-CG2 3.86Å; F1514-V1767 HydrophobicContact CZ-CG2 3.8Å; F1517-V1767 HydrophobicContact CE1-CG2 4.11Å; F1517-V1767 HydrophobicContact CZ-CG2 4.09Å; Y1673-V1767 PolarHBondContact O-N 3.5Å; A1675-V1767 HydrophobicContact CB-CG2 3.83Å; L1679-V1767 PolarHBondContact N-O 3.43Å; L1679-V1767 VanDerWaalsContact N-O 3.12Å; V1767-H1770 WeakPolarHBondContact CG1-ND1 3.5Å |
| 1768 | K | 94 | Very high | 91.4 | Very high | 90 Ų | 90 | 26.3 Ų | 26.3 | 39% | 0.391 | 13% | 0.125 | S | C | . | . | B | Isolated β-bridge | trans | -77.6 | 166.1 | 175.4 | -60.8 | 175 | -174.9 | 171.5 | 0 | 110.1 | G1678 L1766 H1770 | G1678-K1768 WeakPolarHBondContact CA-O 3.28Å; L1766-K1768 PolarHBondContact O-N 3.03Å; L1766-K1768 VanDerWaalsContact O-N 3.15Å; K1768-H1770 PolarHBondContact O-N 3.04Å; K1768-H1770 PolarHBondContact O-ND1 2.84Å |
| 1769 | E | 95.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -56.9 | 126.9 | 168.8 | -169.4 | -178 | -176.9 | 0 | 0 | 109.4 | K1479 I1501 C1502 L1679 P1680 F1807 | K1479-E1769 IonicContact NZ-OE1 3.14Å; K1479-E1769 PolarHBondContact NZ-OE1 3.5Å; K1479-E1769 IonicContact NZ-OE2 2.74Å; K1479-E1769 PolarHBondContact NZ-OE2 2.93Å; I1501-E1769 HydrophobicContact CB-CG 4.39Å; I1501-E1769 HydrophobicContact CG2-CB 4.31Å; I1501-E1769 VanDerWaalsContact CG2-CD 3.47Å; I1501-E1769 HydrophobicContact CG2-CG 3.66Å; C1502-E1769 PolarHBondContact N-O 3.45Å; L1679-E1769 PolarHBondContact O-N 2.79Å; P1680-E1769 WeakPolarHBondContact CB-OE2 3.32Å; E1769-F1807 WeakPolarHBondContact OE1-CE2 3.47Å; E1769-F1807 VanDerWaalsContact OE1-CZ 3.3Å; E1769-F1807 WeakPolarHBondContact OE1-CZ 3.41Å |
| 1770 | H | 95.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 166.5 | -165.7 | 68.4 | -84.1 | 0 | 0 | 0 | 114.3 | C1502 Y1504 V1767 K1768 | C1502-H1770 HydrophobicContact CB-CB 4.22Å; C1502-H1770 CarbonylContact O-C 3.59Å; C1502-H1770 WeakPolarHBondContact O-CA 3.42Å; C1502-H1770 VanDerWaalsContact O-CB 3.22Å; C1502-H1770 WeakPolarHBondContact O-CB 3.27Å; Y1504-H1770 HydrophobicContact CD2-CB 3.87Å; Y1504-H1770 HydrophobicContact CE2-CB 3.59Å; V1767-H1770 WeakPolarHBondContact CG1-ND1 3.5Å; K1768-H1770 PolarHBondContact O-N 3.04Å; K1768-H1770 PolarHBondContact O-ND1 2.84Å |
| 1771 | V | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.2 | 159.3 | 171.7 | 0 | 0 | 0 | 0 | 106.8 | W1476 F1480 I1501 C1502 V1503 Y1504 I1584 Q1790 W1792 | W1476-V1771 HydrophobicContact CZ2-CG2 4.27Å; F1480-V1771 HydrophobicContact CD2-CG2 4.26Å; F1480-V1771 HydrophobicContact CE2-CG1 4.37Å; F1480-V1771 HydrophobicContact CE2-CG2 4.28Å; I1501-V1771 HydrophobicContact CD1-CG2 3.66Å; C1502-V1771 PolarHBondContact O-N 2.91Å; V1503-V1771 CarbonylContact C-O 3.47Å; V1503-V1771 WeakPolarHBondContact CA-O 3.41Å; V1503-V1771 HydrophobicContact CG1-CB 4.4Å; V1503-V1771 HydrophobicContact CG2-CB 4.39Å; Y1504-V1771 PolarHBondContact N-O 2.85Å; I1584-V1771 HydrophobicContact CD1-CB 4.08Å; I1584-V1771 HydrophobicContact CD1-CG1 3.31Å; I1584-V1771 HydrophobicContact CD1-CG2 3.56Å; V1771-Q1790 HydrophobicContact CG1-CB 4.11Å; V1771-W1792 HydrophobicContact CG2-CE3 4Å; V1771-W1792 HydrophobicContact CG2-CZ3 4.22Å |
| 1772 | E | 96 | Very high | 86.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 153.1 | 174.2 | 56.8 | 174.5 | 164.1 | 0 | 0 | 110.9 | L1508 R1668 R1774 Q1790 M1791 | L1508-E1772 HydrophobicContact CB-CB 4.42Å; L1508-E1772 VanDerWaalsContact CB-OE2 3.23Å; L1508-E1772 WeakPolarHBondContact CB-OE2 3.41Å; L1508-E1772 PolarHBondContact N-OE2 3.16Å; R1668-E1772 IonicContact CZ-OE1 3.49Å; R1668-E1772 VanDerWaalsContact CZ-OE1 3.24Å; R1668-E1772 IonicContact CZ-OE2 3.58Å; R1668-E1772 IonicContact NH1-OE1 3.98Å; R1668-E1772 PolarHBondContact NH1-OE1 3.26Å; R1668-E1772 IonicContact NH1-OE2 2.64Å; R1668-E1772 IonicContact NH2-OE1 3.85Å; R1668-E1772 PolarHBondContact NH2-OE1 2.92Å; R1668-E1772 IonicContact NH2-OE2 2.68Å; R1668-E1772 PolarHBondContact NH2-OE2 3.17Å; E1772-R1774 IonicContact OE2-NH1 3.63Å; E1772-Q1790 WeakPolarHBondContact O-CA 3.43Å; E1772-M1791 WeakPolarHBondContact CG-O 3.27Å; E1772-M1791 PolarHBondContact N-O 2.91Å; E1772-M1791 PolarHBondContact O-N 2.73Å; E1772-M1791 VanDerWaalsContact O-O 3.11Å |
| 1773 | T | 96.1 | Very high | 84.9 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.4 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | Y1504 H1506 P1507 K1788 L1789 Q1790 | Y1504-T1773 WeakPolarHBondContact O-CB 3.44Å; Y1504-T1773 PolarHBondContact O-N 2.9Å; Y1504-T1773 VanDerWaalsContact O-N 3.11Å; Y1504-T1773 PolarHBondContact O-OG1 2.97Å; H1506-T1773 CarbonylContact C-O 3.05Å; H1506-T1773 VanDerWaalsContact CA-O 3.26Å; H1506-T1773 WeakPolarHBondContact CA-O 3.23Å; P1507-T1773 WeakPolarHBondContact CD-O 3.29Å; T1773-K1788 HydrophobicContact CG2-CB 4Å; T1773-K1788 HydrophobicContact CG2-CD 4.36Å; T1773-L1789 WeakPolarHBondContact CA-O 2.99Å; T1773-Q1790 HydrophobicContact CG2-CG 4.19Å; T1773-Q1790 PolarHBondContact OG1-NE2 3.09Å |
| 1774 | R | 95 | Very high | 83.7 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144 | -179.3 | -58.4 | -167.8 | 71.6 | 82.8 | 1.1 | 111.2 | P1507 E1509 T1661 D1662 E1772 K1788 L1789 | P1507-R1774 HydrophobicContact CG-CG 4.5Å; E1509-R1774 VanDerWaalsContact CD-NH1 3.32Å; E1509-R1774 IonicContact OE1-CZ 3.77Å; E1509-R1774 VanDerWaalsContact OE1-CZ 3.23Å; E1509-R1774 IonicContact OE1-NH1 2.75Å; E1509-R1774 PolarHBondContact OE1-NH1 2.85Å; E1509-R1774 IonicContact OE1-NH2 3.91Å; E1509-R1774 PolarHBondContact OE1-NH2 3.1Å; E1509-R1774 IonicContact OE2-NH1 3.15Å; E1509-R1774 PolarHBondContact OE2-NH1 2.98Å; E1509-R1774 VanDerWaalsContact OE2-NH1 3.16Å; T1661-R1774 HydrophobicContact CG2-CB 4Å; T1661-R1774 PolarHBondContact OG1-NE 2.91Å; D1662-R1774 PolarHBondContact O-NH2 2.9Å; E1772-R1774 IonicContact OE2-NH1 3.63Å; R1774-K1788 CarbonylContact O-C 3.53Å; R1774-K1788 WeakPolarHBondContact O-CA 3.41Å; R1774-L1789 PolarHBondContact N-O 2.78Å; R1774-L1789 PolarHBondContact O-N 2.98Å |
| 1775 | L | 93 | Very high | 83.5 | Confident | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 141.6 | 172 | -54.6 | -178 | 0 | 0 | 0 | 109.9 | T1661 Y1777 E1785 K1788 | T1661-L1775 WeakPolarHBondContact CB-O 3.13Å; T1661-L1775 PolarHBondContact OG1-O 2.86Å; L1775-Y1777 HydrophobicContact CB-CE2 3.9Å; L1775-Y1777 WeakPolarHBondContact CD1-OH 3.45Å; L1775-E1785 HydrophobicContact CD2-CG 4.33Å; L1775-K1788 HydrophobicContact CD2-CD 4.17Å; L1775-K1788 HydrophobicContact CD2-CG 3.85Å |
| 1776 | L | 92.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.8 | 176.7 | -61.7 | 172.8 | 0 | 0 | 0 | 110.3 | L1589 V1646 T1661 E1785 Q1786 G1787 L1789 | L1589-L1776 HydrophobicContact CD2-CD1 3.63Å; V1646-L1776 HydrophobicContact CB-CD1 4.25Å; V1646-L1776 HydrophobicContact CG2-CD1 3.72Å; V1646-L1776 HydrophobicContact CG2-CD2 4.33Å; T1661-L1776 HydrophobicContact CG2-CD2 4.08Å; L1776-E1785 CarbonylContact O-C 3.56Å; L1776-E1785 WeakPolarHBondContact O-CA 3.39Å; L1776-Q1786 HydrophobicContact CB-CB 4.34Å; L1776-Q1786 PolarHBondContact O-N 2.88Å; L1776-G1787 WeakPolarHBondContact CB-O 3.47Å; L1776-G1787 PolarHBondContact N-O 3.46Å; L1776-L1789 HydrophobicContact CD1-CB 4.4Å; L1776-L1789 HydrophobicContact CD2-CB 4.21Å; L1776-L1789 HydrophobicContact CD2-CD2 4.39Å; L1776-L1789 HydrophobicContact CG-CB 4.35Å |
| 1777 | Y | 85.3 | Confident | 83.3 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 37% | 0.365 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.7 | 177.5 | -64.5 | -82.7 | 0 | 0 | 0 | 111.3 | G1659 Q1660 L1775 I1784 | G1659-Y1777 CarbonylContact C-O 3.57Å; G1659-Y1777 WeakPolarHBondContact CA-O 3.4Å; Q1660-Y1777 WeakPolarHBondContact CG-O 3.47Å; Q1660-Y1777 PolarHBondContact N-O 2.85Å; Q1660-Y1777 PolarHBondContact O-N 3.1Å; L1775-Y1777 HydrophobicContact CB-CE2 3.9Å; L1775-Y1777 WeakPolarHBondContact CD1-OH 3.45Å; Y1777-I1784 WeakPolarHBondContact CD1-O 3.34Å |
| 1778 | S | 77.1 | Confident | 83.3 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.1 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | L1780 Q1781 | S1778-L1780 PolarHBondContact O-N 2.96Å; S1778-L1780 PolarHBondContact OG-N 2.97Å; S1778-Q1781 CarbonylContact O-C 3.52Å; S1778-Q1781 PolarHBondContact O-N 3.27Å |
| 1779 | P | 67.3 | Low | 83.5 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28 | 173.3 | -22.2 | 32.3 | 0 | 0 | 0 | 113.6 | Q1781 | P1779-Q1781 VanDerWaalsContact C-N 3.33Š|
| 1780 | L | 68.5 | Low | 83.6 | Confident | 163 Ų | 163 | 44.2 Ų | 44.2 | 85% | 0.853 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18.3 | 178.3 | -62.8 | 174.2 | 0 | 0 | 0 | 112.2 | S1778 | S1778-L1780 PolarHBondContact O-N 2.96Å; S1778-L1780 PolarHBondContact OG-N 2.97Å |
| 1781 | Q | 65.8 | Low | 83.7 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 67.1 | -178.3 | -63.6 | -167.6 | -16.1 | 0 | 0 | 110.7 | S1778 P1779 N1783 I1784 | S1778-Q1781 CarbonylContact O-C 3.52Å; S1778-Q1781 PolarHBondContact O-N 3.27Å; P1779-Q1781 VanDerWaalsContact C-N 3.33Å; Q1781-N1783 PolarHBondContact O-N 3.21Å; Q1781-I1784 HydrophobicContact CB-CB 4.37Å; Q1781-I1784 HydrophobicContact CB-CD1 4Å; Q1781-I1784 PolarHBondContact O-N 2.73Å |
| 1782 | P | 60.7 | Low | 83.7 | Confident | 88 Ų | 88 | 44 Ų | 44 | 57% | 0.571 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 137.8 | 178.6 | 24.3 | -32.2 | 0 | 0 | 0 | 110.1 | ||
| 1783 | N | 64 | Low | 83.7 | Confident | 150 Ų | 150 | 44.1 Ų | 44.1 | 80% | 0.802 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 80.8 | 7.2 | -177.9 | -42.9 | -54.4 | 0 | 0 | 0 | 117 | Q1781 | Q1781-N1783 PolarHBondContact O-N 3.21Å |
| 1784 | I | 62 | Low | 83.6 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 20% | 0.195 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.5 | 174.3 | -68 | 163.8 | 0 | 0 | 0 | 110.5 | F251 Y1777 Q1781 | F251-I1784 HydrophobicContact CD1-CG2 4.44Å; F251-I1784 HydrophobicContact CD2-CG2 3.8Å; F251-I1784 HydrophobicContact CE1-CG2 3.88Å; F251-I1784 HydrophobicContact CE2-CB 4.21Å; F251-I1784 HydrophobicContact CE2-CD1 4.24Å; F251-I1784 HydrophobicContact CE2-CG1 3.98Å; F251-I1784 HydrophobicContact CE2-CG2 3.2Å; F251-I1784 HydrophobicContact CG-CG2 4.44Å; F251-I1784 HydrophobicContact CZ-CB 4.24Å; F251-I1784 HydrophobicContact CZ-CD1 3.7Å; F251-I1784 HydrophobicContact CZ-CG1 3.94Å; F251-I1784 HydrophobicContact CZ-CG2 3.27Å; Y1777-I1784 WeakPolarHBondContact CD1-O 3.34Å; Q1781-I1784 HydrophobicContact CB-CB 4.37Å; Q1781-I1784 HydrophobicContact CB-CD1 4Å; Q1781-I1784 PolarHBondContact O-N 2.73Å |
| 1785 | E | 80.3 | Confident | 83.7 | Confident | 72 Ų | 72 | 43.2 Ų | 43.2 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.7 | 175 | -176.9 | -174.8 | 169.7 | 0 | 0 | 110.8 | L1775 L1776 K1788 | L1775-E1785 HydrophobicContact CD2-CG 4.33Å; L1776-E1785 CarbonylContact O-C 3.56Å; L1776-E1785 WeakPolarHBondContact O-CA 3.39Å; E1785-K1788 WeakPolarHBondContact OE1-CE 3.44Å; E1785-K1788 VanDerWaalsContact OE1-CG 3.31Å; E1785-K1788 WeakPolarHBondContact OE1-CG 3.5Å; E1785-K1788 IonicContact OE1-NZ 3.92Å |
| 1786 | Q | 83 | Confident | 83.8 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 18 | -178.8 | -56.8 | -66.4 | -94.8 | 0 | 0 | 112.5 | Q1590 I1658 L1776 | Q1590-Q1786 HydrophobicContact CB-CB 4.43Å; Q1590-Q1786 PolarHBondContact N-O 2.9Å; Q1590-Q1786 VanDerWaalsContact N-O 3.14Å; I1658-Q1786 WeakPolarHBondContact O-CB 3.4Å; I1658-Q1786 VanDerWaalsContact O-CG 3.27Å; I1658-Q1786 WeakPolarHBondContact O-CG 3.47Å; L1776-Q1786 HydrophobicContact CB-CB 4.34Å; L1776-Q1786 PolarHBondContact O-N 2.88Å |
| 1787 | G | 88.1 | Confident | 83.8 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.3 | -179.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1588 L1776 | D1588-G1787 VanDerWaalsContact O-CA 3.27Å; D1588-G1787 WeakPolarHBondContact O-CA 3.34Å; L1776-G1787 WeakPolarHBondContact CB-O 3.47Å; L1776-G1787 PolarHBondContact N-O 3.46Å |
| 1788 | K | 93.8 | Very high | 84.1 | Confident | 77 Ų | 77 | 39 Ų | 39 | 34% | 0.335 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.7 | -176 | -53.5 | -178.6 | -175.2 | 169.6 | 0 | 111 | A1586 I1587 T1773 R1774 L1775 E1785 | A1586-K1788 CarbonylContact C-O 3.58Å; A1586-K1788 WeakPolarHBondContact CA-O 3.42Å; A1586-K1788 WeakPolarHBondContact CB-O 3.36Å; I1587-K1788 HydrophobicContact CB-CB 4.43Å; I1587-K1788 PolarHBondContact N-O 3.39Å; I1587-K1788 PolarHBondContact O-N 2.86Å; T1773-K1788 HydrophobicContact CG2-CB 4Å; T1773-K1788 HydrophobicContact CG2-CD 4.36Å; R1774-K1788 CarbonylContact O-C 3.53Å; R1774-K1788 WeakPolarHBondContact O-CA 3.41Å; L1775-K1788 HydrophobicContact CD2-CD 4.17Å; L1775-K1788 HydrophobicContact CD2-CG 3.85Å; E1785-K1788 WeakPolarHBondContact OE1-CE 3.44Å; E1785-K1788 VanDerWaalsContact OE1-CG 3.31Å; E1785-K1788 WeakPolarHBondContact OE1-CG 3.5Å; E1785-K1788 IonicContact OE1-NZ 3.92Å |
| 1789 | L | 97.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.3 | 179.8 | -169.2 | 66.2 | 0 | 0 | 0 | 110.5 | I1583 A1586 F1626 V1644 V1646 T1773 R1774 L1776 M1791 | I1583-L1789 HydrophobicContact CD1-CD2 4.25Å; I1583-L1789 HydrophobicContact CG2-CD1 3.78Å; I1583-L1789 HydrophobicContact CG2-CG 4.4Å; A1586-L1789 HydrophobicContact CB-CD1 3.94Å; F1626-L1789 HydrophobicContact CE2-CD1 4.17Å; V1644-L1789 HydrophobicContact CB-CD2 4.42Å; V1644-L1789 HydrophobicContact CG1-CD2 3.48Å; V1644-L1789 VanDerWaalsContact CG1-CD2 3.48Å; V1646-L1789 HydrophobicContact CG2-CD1 4.31Å; V1646-L1789 HydrophobicContact CG2-CD2 4.48Å; T1773-L1789 WeakPolarHBondContact CA-O 2.99Å; R1774-L1789 PolarHBondContact N-O 2.78Å; R1774-L1789 PolarHBondContact O-N 2.98Å; L1776-L1789 HydrophobicContact CD1-CB 4.4Å; L1776-L1789 HydrophobicContact CD2-CB 4.21Å; L1776-L1789 HydrophobicContact CD2-CD2 4.39Å; L1776-L1789 HydrophobicContact CG-CB 4.35Å; L1789-M1791 HydrophobicContact CD2-SD 3.87Å; L1789-M1791 HydrophobicContact CG-CG 4.48Å; L1789-M1791 HydrophobicContact CG-SD 4.43Å |
| 1790 | Q | 97.5 | Very high | 85.6 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.2 | 171.4 | -67.2 | -166.5 | -43.2 | 0 | 0 | 109.8 | I1584 R1585 I1587 V1771 E1772 T1773 | I1584-Q1790 HydrophobicContact CB-CB 4.38Å; I1584-Q1790 WeakPolarHBondContact CB-O 3.27Å; I1584-Q1790 HydrophobicContact CD1-CB 4.21Å; I1584-Q1790 PolarHBondContact N-O 2.65Å; R1585-Q1790 HydrophobicContact CG-CB 4.29Å; R1585-Q1790 PolarHBondContact O-N 3.19Å; I1587-Q1790 HydrophobicContact CD1-CG 4.04Å; V1771-Q1790 HydrophobicContact CG1-CB 4.11Å; E1772-Q1790 WeakPolarHBondContact O-CA 3.43Å; T1773-Q1790 HydrophobicContact CG2-CG 4.19Å; T1773-Q1790 PolarHBondContact OG1-NE2 3.09Å |
| 1791 | M | 97.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 175.2 | -173.8 | 60.5 | 171.7 | -67.2 | 0 | 0 | 111.7 | V1581 Y1582 I1583 V1644 I1663 E1772 L1789 V1793 | V1581-M1791 HydrophobicContact CG1-CE 3.72Å; Y1582-M1791 CarbonylContact O-C 3.58Å; Y1582-M1791 WeakPolarHBondContact O-CA 3.48Å; Y1582-M1791 WeakPolarHBondContact O-CB 3.17Å; I1583-M1791 HydrophobicContact CD1-CB 3.77Å; I1583-M1791 HydrophobicContact CD1-CE 3.92Å; I1583-M1791 HydrophobicContact CD1-CG 4.5Å; I1583-M1791 HydrophobicContact CD1-SD 3.96Å; V1644-M1791 HydrophobicContact CG1-SD 4.4Å; V1644-M1791 HydrophobicContact CG2-CE 3.99Å; V1644-M1791 HydrophobicContact CG2-SD 4.18Å; I1663-M1791 HydrophobicContact CD1-CE 3.68Å; I1663-M1791 HydrophobicContact CD1-SD 4.27Å; E1772-M1791 WeakPolarHBondContact CG-O 3.27Å; E1772-M1791 PolarHBondContact N-O 2.91Å; E1772-M1791 PolarHBondContact O-N 2.73Å; E1772-M1791 VanDerWaalsContact O-O 3.11Å; L1789-M1791 HydrophobicContact CD2-SD 3.87Å; L1789-M1791 HydrophobicContact CG-CG 4.48Å; L1789-M1791 HydrophobicContact CG-SD 4.43Å; M1791-V1793 HydrophobicContact CE-CG2 3.65Å |
| 1792 | W | 96.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 167.3 | 159 | 73.8 | 95.6 | 0 | 0 | 0 | 110 | W1476 Y1582 I1584 V1771 D1794 F1807 I1809 | W1476-W1792 AromaticContact CE2-CH2 3.73Å; W1476-W1792 HydrophobicContact CH2-CH2 4.18Å; W1476-W1792 AromaticContact CH2-CZ3 3.86Å; W1476-W1792 HydrophobicContact CH2-CZ3 3.86Å; W1476-W1792 AromaticContact CZ2-CH2 3.45Å; W1476-W1792 HydrophobicContact CZ2-CH2 3.45Å; W1476-W1792 VanDerWaalsContact CZ2-CH2 3.45Å; W1476-W1792 AromaticContact CZ2-CZ3 3.4Å; W1476-W1792 HydrophobicContact CZ2-CZ3 3.4Å; W1476-W1792 VanDerWaalsContact CZ2-CZ3 3.4Å; W1476-W1792 AromaticContact NE1-CH2 3.92Å; Y1582-W1792 VanDerWaalsContact CB-CE2 3.44Å; Y1582-W1792 VanDerWaalsContact CB-CZ2 3.46Å; Y1582-W1792 AromaticContact CD1-CE2 3.94Å; Y1582-W1792 AromaticContact CD1-CH2 3.73Å; Y1582-W1792 HydrophobicContact CD1-CH2 3.73Å; Y1582-W1792 AromaticContact CD1-CZ2 3.3Å; Y1582-W1792 HydrophobicContact CD1-CZ2 3.3Å; Y1582-W1792 AromaticContact CD2-CD1 3.86Å; Y1582-W1792 HydrophobicContact CD2-CD2 4.09Å; Y1582-W1792 AromaticContact CD2-CE2 3.32Å; Y1582-W1792 HydrophobicContact CD2-CG 4.39Å; Y1582-W1792 AromaticContact CD2-CZ2 3.61Å; Y1582-W1792 HydrophobicContact CD2-CZ2 3.61Å; Y1582-W1792 AromaticContact CD2-NE1 3.13Å; Y1582-W1792 AromaticContact CE1-CZ2 3.81Å; Y1582-W1792 HydrophobicContact CE1-CZ2 3.81Å; Y1582-W1792 AromaticContact CE2-CE2 3.94Å; Y1582-W1792 HydrophobicContact CE2-CZ2 4.07Å; Y1582-W1792 AromaticContact CE2-NE1 3.5Å; Y1582-W1792 AromaticContact CG-CD2 3.98Å; Y1582-W1792 HydrophobicContact CG-CD2 3.98Å; Y1582-W1792 AromaticContact CG-CE2 3.3Å; Y1582-W1792 HydrophobicContact CG-CE3 4.4Å; Y1582-W1792 AromaticContact CG-CH2 3.74Å; Y1582-W1792 HydrophobicContact CG-CH2 3.74Å; Y1582-W1792 AromaticContact CG-CZ2 3.17Å; Y1582-W1792 HydrophobicContact CG-CZ2 3.17Å; Y1582-W1792 HydrophobicContact CG-CZ3 4.29Å; Y1582-W1792 AromaticContact CG-NE1 3.68Å; Y1582-W1792 PolarHBondContact N-O 3.47Å; Y1582-W1792 PolarHBondContact O-N 2.83Å; Y1582-W1792 VanDerWaalsContact O-N 3.07Å; I1584-W1792 HydrophobicContact CD1-CE3 3.86Å; I1584-W1792 HydrophobicContact CD1-CZ3 3.63Å; I1584-W1792 HydrophobicContact CG1-CE3 4.09Å; I1584-W1792 HydrophobicContact CG1-CZ3 3.58Å; V1771-W1792 HydrophobicContact CG2-CE3 4Å; V1771-W1792 HydrophobicContact CG2-CZ3 4.22Å; W1792-D1794 PolarHBondContact NE1-OD2 2.91Å; W1792-F1807 HydrophobicContact CZ2-CD2 4.13Å; W1792-I1809 HydrophobicContact CH2-CD1 4.44Å; W1792-I1809 HydrophobicContact CH2-CG2 3.83Å |
| 1793 | V | 96.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.6 | -179.4 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | R1580 V1581 L1642 I1663 L1665 M1791 I1795 | R1580-V1793 WeakPolarHBondContact O-CA 3.32Å; V1581-V1793 HydrophobicContact CG1-CG2 4.28Å; V1581-V1793 HydrophobicContact CG2-CG1 4.31Å; V1581-V1793 HydrophobicContact CG2-CG2 4.42Å; L1642-V1793 HydrophobicContact CD2-CG1 4.26Å; L1642-V1793 HydrophobicContact CD2-CG2 3.69Å; I1663-V1793 HydrophobicContact CD1-CG2 3.9Å; L1665-V1793 HydrophobicContact CD2-CG1 3.99Å; M1791-V1793 HydrophobicContact CE-CG2 3.65Å; V1793-I1795 HydrophobicContact CG1-CG1 4.18Å |
| 1794 | D | 95.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 136.6 | 167.9 | -62.6 | -47.2 | 0 | 0 | 0 | 110.8 | L1579 R1580 Y1582 T1676 R1692 W1792 F1796 | L1579-D1794 WeakPolarHBondContact CA-O 3.44Å; R1580-D1794 HydrophobicContact CB-CB 4.34Å; R1580-D1794 PolarHBondContact N-O 3.14Å; R1580-D1794 PolarHBondContact O-N 2.72Å; Y1582-D1794 WeakPolarHBondContact CE2-OD2 3.5Å; T1676-D1794 CarbonylContact O-C 3.5Å; T1676-D1794 WeakPolarHBondContact O-CA 3.45Å; R1692-D1794 IonicContact CZ-OD2 2.83Å; R1692-D1794 IonicContact NH1-OD2 3.03Å; R1692-D1794 PolarHBondContact NH1-OD2 2.93Å; R1692-D1794 IonicContact NH2-OD1 2.82Å; R1692-D1794 PolarHBondContact NH2-OD1 2.85Å; R1692-D1794 IonicContact NH2-OD2 3.91Å; R1692-D1794 PolarHBondContact NH2-OD2 2.9Å; W1792-D1794 PolarHBondContact NE1-OD2 2.91Å; D1794-F1796 HydrophobicContact CB-CD2 4.38Å; D1794-F1796 HydrophobicContact CB-CE2 3.42Å; D1794-F1796 VanDerWaalsContact CB-CE2 3.42Å; D1794-F1796 HydrophobicContact CB-CZ 3.59Å |
| 1795 | I | 95.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.8 | -177.5 | -50 | 176.5 | 0 | 0 | 0 | 110.3 | C1577 L1579 L1636 L1665 R1668 T1676 V1793 | C1577-I1795 HydrophobicContact CB-CG2 4.02Å; L1579-I1795 HydrophobicContact CD2-CB 4.25Å; L1579-I1795 HydrophobicContact CD2-CG1 3.83Å; L1579-I1795 HydrophobicContact CD2-CG2 3.99Å; L1636-I1795 HydrophobicContact CD1-CG2 4.33Å; L1665-I1795 HydrophobicContact CB-CD1 4.36Å; L1665-I1795 HydrophobicContact CD2-CD1 4.01Å; R1668-I1795 HydrophobicContact CB-CD1 3.83Å; T1676-I1795 HydrophobicContact CG2-CB 4.32Å; T1676-I1795 PolarHBondContact O-N 2.74Å; V1793-I1795 HydrophobicContact CG1-CG1 4.18Å |
| 1796 | F | 94.8 | Very high | 91 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.4 | -177.6 | -54.2 | -78.5 | 0 | 0 | 0 | 112.4 | C1577 M1578 R1580 C1677 D1794 T1798 P1803 | C1577-F1796 CarbonylContact C-O 3.12Å; C1577-F1796 WeakPolarHBondContact CA-O 3.17Å; M1578-F1796 HydrophobicContact CB-CB 4.37Å; M1578-F1796 PolarHBondContact N-O 2.84Å; M1578-F1796 PolarHBondContact O-N 2.87Å; R1580-F1796 HydrophobicContact CG-CE2 4.3Å; C1677-F1796 HydrophobicContact CB-CE1 3.78Å; C1677-F1796 HydrophobicContact CB-CZ 4.12Å; D1794-F1796 HydrophobicContact CB-CD2 4.38Å; D1794-F1796 HydrophobicContact CB-CE2 3.42Å; D1794-F1796 VanDerWaalsContact CB-CE2 3.42Å; D1794-F1796 HydrophobicContact CB-CZ 3.59Å; F1796-T1798 PolarHBondContact O-N 3.39Å; F1796-P1803 HydrophobicContact CB-CB 4.14Å; F1796-P1803 HydrophobicContact CB-CG 4.27Å; F1796-P1803 HydrophobicContact CD1-CB 3.71Å; F1796-P1803 HydrophobicContact CD2-CB 3.74Å; F1796-P1803 HydrophobicContact CD2-CG 3.92Å; F1796-P1803 HydrophobicContact CE1-CB 3.97Å; F1796-P1803 HydrophobicContact CE2-CB 4Å; F1796-P1803 HydrophobicContact CE2-CG 4.41Å; F1796-P1803 HydrophobicContact CG-CB 3.58Å; F1796-P1803 HydrophobicContact CG-CG 4.03Å; F1796-P1803 HydrophobicContact CZ-CB 4.11Å |
| 1797 | P | 92.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 126.5 | 170.6 | -26.8 | 36.2 | 0 | 0 | 0 | 112.2 | E1575 S1799 L1800 | E1575-P1797 HydrophobicContact CG-CB 4.36Å; E1575-P1797 WeakPolarHBondContact OE1-CB 3.14Å; P1797-S1799 PolarHBondContact O-N 2.89Å; P1797-L1800 HydrophobicContact CB-CD1 4.06Å; P1797-L1800 HydrophobicContact CB-CG 4.18Å; P1797-L1800 HydrophobicContact CG-CD1 4.04Å; P1797-L1800 PolarHBondContact O-N 2.76Å; P1797-L1800 VanDerWaalsContact O-N 3.15Å |
| 1798 | T | 91.3 | Very high | 91.2 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -65.7 | -22.9 | -179.2 | 56.2 | 0 | 0 | 0 | 0 | 113 | E1576 M1578 F1796 L1800 G1801 | E1576-T1798 HydrophobicContact CG-CG2 4.06Å; E1576-T1798 WeakPolarHBondContact O-CB 3.37Å; E1576-T1798 WeakPolarHBondContact O-CG2 3.31Å; E1576-T1798 PolarHBondContact O-N 3.3Å; E1576-T1798 PolarHBondContact O-OG1 2.93Å; M1578-T1798 HydrophobicContact CB-CG2 4.38Å; F1796-T1798 PolarHBondContact O-N 3.39Å; T1798-L1800 PolarHBondContact O-N 3.45Å; T1798-G1801 PolarHBondContact O-N 2.97Å |
| 1799 | S | 88.6 | Confident | 91 | Very high | 92 Ų | 92 | 36.9 Ų | 36.9 | 64% | 0.643 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -63.6 | -20.6 | 175.1 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | P1797 G1801 | P1797-S1799 PolarHBondContact O-N 2.89Å; S1799-G1801 VanDerWaalsContact C-N 3.34Å |
| 1800 | L | 87.6 | Confident | 90.6 | Very high | 76 Ų | 76 | 40 Ų | 40 | 40% | 0.398 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -89.5 | 2.7 | 179.3 | -62.2 | 174.2 | 0 | 0 | 0 | 113.3 | K1695 P1797 T1798 | K1695-L1800 HydrophobicContact CD-CD1 4.41Å; K1695-L1800 HydrophobicContact CG-CD1 4.29Å; P1797-L1800 HydrophobicContact CB-CD1 4.06Å; P1797-L1800 HydrophobicContact CB-CG 4.18Å; P1797-L1800 HydrophobicContact CG-CD1 4.04Å; P1797-L1800 PolarHBondContact O-N 2.76Å; P1797-L1800 VanDerWaalsContact O-N 3.15Å; T1798-L1800 PolarHBondContact O-N 3.45Å |
| 1801 | G | 85.1 | Confident | 89.9 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | trans | 89.7 | -171.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1798 S1799 | T1798-G1801 PolarHBondContact O-N 2.97Å; S1799-G1801 VanDerWaalsContact C-N 3.34Å | ||
| 1802 | E | 82.8 | Confident | 89.2 | Confident | 189 Ų | 189 | 43.1 Ų | 43.1 | 88% | 0.883 | 26% | 0.258 | S | S | * | . | trans | -73 | 131 | -177.8 | -66.5 | -170.5 | 166.3 | 0 | 0 | 111 | ||||
| 1803 | P | 86 | Confident | 88.4 | Confident | 20 Ų | 20 | 51 Ų | 51 | 13% | 0.13 | 30% | 0.295 | C | S | . | . | trans | -64.9 | 159.5 | 174.6 | 27 | -32.8 | 0 | 0 | 0 | 111.3 | S1694 F1796 | S1694-P1803 WeakPolarHBondContact OG-CA 3.5Å; F1796-P1803 HydrophobicContact CB-CB 4.14Å; F1796-P1803 HydrophobicContact CB-CG 4.27Å; F1796-P1803 HydrophobicContact CD1-CB 3.71Å; F1796-P1803 HydrophobicContact CD2-CB 3.74Å; F1796-P1803 HydrophobicContact CD2-CG 3.92Å; F1796-P1803 HydrophobicContact CE1-CB 3.97Å; F1796-P1803 HydrophobicContact CE2-CB 4Å; F1796-P1803 HydrophobicContact CE2-CG 4.41Å; F1796-P1803 HydrophobicContact CG-CB 3.58Å; F1796-P1803 HydrophobicContact CG-CG 4.03Å; F1796-P1803 HydrophobicContact CZ-CB 4.11Å | ||
| 1804 | G | 84.1 | Confident | 87.6 | Confident | 19 Ų | 19 | 52 Ų | 52 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -58.8 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1580 R1692 | R1580-G1804 VanDerWaalsContact CZ-O 3.27Å; R1580-G1804 PolarHBondContact NH1-O 3.43Å; R1580-G1804 PolarHBondContact NH2-O 2.89Å; R1692-G1804 WeakPolarHBondContact O-CA 3.43Å; R1692-G1804 PolarHBondContact O-N 2.77Å | ||
| 1805 | P | 87.5 | Confident | 86.9 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -59 | 138.4 | -177.3 | 24.9 | -32.9 | 0 | 0 | 0 | 111.2 | Q1690 | Q1690-P1805 HydrophobicContact CG-CG 4.26Š|
| 1806 | P | 89.7 | Confident | 86.4 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 158.6 | 174.4 | 30.5 | -33.8 | 0 | 0 | 0 | 110.5 | Y1582 M1629 | Y1582-P1806 WeakPolarHBondContact OH-CA 3.44Å; Y1582-P1806 WeakPolarHBondContact OH-CB 3.38Å; M1629-P1806 HydrophobicContact CE-CB 3.85Å; M1629-P1806 HydrophobicContact CE-CG 3.96Å |
| 1807 | F | 89.2 | Confident | 86.1 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 133.4 | 167.9 | -78 | -52.9 | 0 | 0 | 0 | 109.8 | W1476 Y1582 P1688 R1692 E1769 W1792 I1809 | W1476-F1807 AromaticContact CD1-CD1 3.83Å; W1476-F1807 AromaticContact CD1-CD2 3.89Å; W1476-F1807 AromaticContact CD1-CG 3.65Å; W1476-F1807 HydrophobicContact CG-CB 4.5Å; W1476-F1807 AromaticContact NE1-CD2 3.93Å; Y1582-F1807 HydrophobicContact CE1-CB 4.06Å; Y1582-F1807 PolarHBondContact OH-N 2.67Å; P1688-F1807 WeakPolarHBondContact O-CE1 3.48Å; R1692-F1807 VanDerWaalsContact CD-CE2 3.46Å; R1692-F1807 VanDerWaalsContact CZ-CD2 3.43Å; E1769-F1807 WeakPolarHBondContact OE1-CE2 3.47Å; E1769-F1807 VanDerWaalsContact OE1-CZ 3.3Å; E1769-F1807 WeakPolarHBondContact OE1-CZ 3.41Å; W1792-F1807 HydrophobicContact CZ2-CD2 4.13Å; F1807-I1809 HydrophobicContact CB-CG2 3.94Å; F1807-I1809 PolarHBondContact O-N 3.49Å |
| 1808 | D | 86.2 | Confident | 85.9 | Confident | 114 Ų | 114 | 61.8 Ų | 61.8 | 61% | 0.61 | 35% | 0.349 | S | S | * | . | trans | -79.8 | 107.7 | 163 | -172.7 | 2.8 | 0 | 0 | 0 | 108.4 | W1476 S1810 | W1476-D1808 WeakPolarHBondContact CB-O 3.49Å; D1808-S1810 WeakPolarHBondContact OD1-CB 3.24Å; D1808-S1810 PolarHBondContact OD1-N 2.89Å; D1808-S1810 PolarHBondContact OD1-OG 2.74Å | ||
| 1809 | I | 90.5 | Very high | 85.9 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | trans | -109.2 | 16.6 | 178.4 | 62.6 | 163.1 | 0 | 0 | 0 | 112.4 | W1476 W1477 Y1582 G1627 W1792 F1807 | W1476-I1809 HydrophobicContact CB-CG2 4.29Å; W1476-I1809 HydrophobicContact CD2-CB 4.3Å; W1476-I1809 HydrophobicContact CD2-CG2 3.4Å; W1476-I1809 VanDerWaalsContact CD2-CG2 3.4Å; W1476-I1809 HydrophobicContact CE3-CB 3.96Å; W1476-I1809 HydrophobicContact CE3-CG2 3.56Å; W1476-I1809 HydrophobicContact CG-CG2 3.72Å; W1476-I1809 HydrophobicContact CH2-CG2 4.49Å; W1476-I1809 HydrophobicContact CZ2-CG2 4.36Å; W1476-I1809 HydrophobicContact CZ3-CB 4.35Å; W1476-I1809 HydrophobicContact CZ3-CG2 4.12Å; W1477-I1809 PolarHBondContact NE1-O 2.86Å; Y1582-I1809 HydrophobicContact CD1-CD1 3.84Å; Y1582-I1809 HydrophobicContact CD1-CG1 4.21Å; Y1582-I1809 HydrophobicContact CD1-CG2 4.35Å; Y1582-I1809 HydrophobicContact CG-CD1 4.39Å; G1627-I1809 CarbonylContact C-O 3.56Å; G1627-I1809 WeakPolarHBondContact CA-O 3.25Å; G1627-I1809 CarbonylContact O-C 3.6Å; W1792-I1809 HydrophobicContact CH2-CD1 4.44Å; W1792-I1809 HydrophobicContact CH2-CG2 3.83Å; F1807-I1809 HydrophobicContact CB-CG2 3.94Å; F1807-I1809 PolarHBondContact O-N 3.49Å | ||
| 1810 | S | 87.5 | Confident | 86.1 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 137.1 | 176.7 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | W1477 D1808 | W1477-S1810 PolarHBondContact NE1-O 3.35Å; D1808-S1810 WeakPolarHBondContact OD1-CB 3.24Å; D1808-S1810 PolarHBondContact OD1-N 2.89Å; D1808-S1810 PolarHBondContact OD1-OG 2.74Å |
| 1811 | P | 83.3 | Confident | 86.4 | Confident | 48 Ų | 48 | 52 Ų | 52 | 31% | 0.312 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -58 | 149.9 | 177 | -24.2 | 35.5 | 0 | 0 | 0 | 111.8 | E1813 | P1811-E1813 PolarHBondContact O-N 3.48Š|
| 1812 | R | 82.8 | Confident | 86.7 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 13% | 0.125 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 129.7 | -179.9 | -69.6 | 173.5 | 172.3 | 170 | -3.8 | 111.1 | D1475 S1478 K1489 L1883 | D1475-R1812 IonicContact OD1-CZ 2.68Å; D1475-R1812 IonicContact OD1-NE 3.76Å; D1475-R1812 IonicContact OD1-NH2 2.78Å; D1475-R1812 PolarHBondContact OD1-NH2 3.1Å; D1475-R1812 VanDerWaalsContact OD2-CG 3.23Å; D1475-R1812 WeakPolarHBondContact OD2-CG 3.25Å; D1475-R1812 IonicContact OD2-CZ 2.65Å; D1475-R1812 IonicContact OD2-NE 3.26Å; D1475-R1812 PolarHBondContact OD2-NE 2.88Å; D1475-R1812 IonicContact OD2-NH2 3.33Å; D1475-R1812 PolarHBondContact OD2-NH2 3.01Å; S1478-R1812 PolarHBondContact OG-NH2 3.07Å; K1489-R1812 PolarHBondContact O-NH1 3Å; K1489-R1812 PolarHBondContact O-NH2 3.29Å; K1489-R1812 VanDerWaalsContact O-NH2 3.08Å; R1812-L1883 HydrophobicContact CB-CD1 4.03Å; R1812-L1883 HydrophobicContact CB-CD2 3.98Å; R1812-L1883 HydrophobicContact CB-CG 4.34Å; R1812-L1883 WeakPolarHBondContact O-CD1 3.39Å |
| 1813 | E | 78.4 | Confident | 87.2 | Confident | 172 Ų | 172 | 41.4 Ų | 41.4 | 80% | 0.804 | 23% | 0.228 | S | C | * | . | P | Polyproline II helix | trans | -91.9 | 136 | 176.2 | -65.7 | -172.2 | 169.8 | 0 | 0 | 111.8 | P1811 | P1811-E1813 PolarHBondContact O-N 3.48Š|
| 1814 | P | 80.4 | Confident | 87.5 | Confident | 22 Ų | 22 | 43.5 Ų | 43.5 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 145.3 | 178.3 | 34 | -36.3 | 0 | 0 | 0 | 111.9 | F1881 L1883 V1890 | P1814-F1881 HydrophobicContact CB-CB 3.95Å; P1814-F1881 HydrophobicContact CG-CB 4.04Å; P1814-F1881 HydrophobicContact CG-CD1 4.41Å; P1814-L1883 HydrophobicContact CB-CB 4.21Å; P1814-L1883 HydrophobicContact CB-CD1 4.15Å; P1814-L1883 HydrophobicContact CB-CG 4.49Å; P1814-V1890 HydrophobicContact CB-CB 3.96Å; P1814-V1890 HydrophobicContact CB-CG2 3.65Å; P1814-V1890 HydrophobicContact CG-CB 3.89Å; P1814-V1890 HydrophobicContact CG-CG1 4.11Å; P1814-V1890 HydrophobicContact CG-CG2 3.9Å |
| 1815 | N | 81.3 | Confident | 87.8 | Confident | 88 Ų | 88 | 43.9 Ų | 43.9 | 47% | 0.471 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 145 | 177.8 | -71.5 | -16.8 | 0 | 0 | 0 | 111.3 | Y1817 F1881 Y1882 | N1815-Y1817 HydrophobicContact CB-CD2 4.18Å; N1815-Y1817 HydrophobicContact CB-CE2 3.68Å; N1815-Y1817 WeakPolarHBondContact O-CD2 3.43Å; N1815-F1881 CarbonylContact O-C 3.46Å; N1815-F1881 WeakPolarHBondContact O-CA 3.36Å; N1815-Y1882 PolarHBondContact N-O 2.86Å; N1815-Y1882 PolarHBondContact O-N 2.92Å |
| 1816 | E | 84.8 | Confident | 88 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 121.1 | 174.4 | -70.8 | -171.7 | -114.7 | 0 | 0 | 111.8 | F1881 K1999 | E1816-F1881 VanDerWaalsContact CD-CE1 3.5Å; E1816-F1881 HydrophobicContact CG-CD1 3.42Å; E1816-F1881 VanDerWaalsContact CG-CD1 3.42Å; E1816-F1881 HydrophobicContact CG-CE1 3.14Å; E1816-F1881 HydrophobicContact CG-CG 4.34Å; E1816-F1881 HydrophobicContact CG-CZ 3.88Å; E1816-K1999 HydrophobicContact CB-CB 3.69Å; E1816-K1999 HydrophobicContact CB-CD 3.85Å; E1816-K1999 HydrophobicContact CB-CG 4.48Å; E1816-K1999 HydrophobicContact CG-CD 4.21Å; E1816-K1999 PolarHBondContact O-N 2.77Å; E1816-K1999 IonicContact OE1-NZ 3.08Å; E1816-K1999 PolarHBondContact OE1-NZ 2.85Å; E1816-K1999 WeakPolarHBondContact OE2-CD 3.36Å; E1816-K1999 WeakPolarHBondContact OE2-CE 3.49Å; E1816-K1999 IonicContact OE2-NZ 3.99Å; E1816-K1999 PolarHBondContact OE2-NZ 3.08Å |
| 1817 | Y | 87.7 | Confident | 88 | Confident | 28 Ų | 28 | 40 Ų | 40 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 154.1 | 174.6 | -75.2 | -90.3 | 0 | 0 | 0 | 111 | N1815 P1879 F1880 Y1882 L1996 V1997 T1998 | N1815-Y1817 HydrophobicContact CB-CD2 4.18Å; N1815-Y1817 HydrophobicContact CB-CE2 3.68Å; N1815-Y1817 WeakPolarHBondContact O-CD2 3.43Å; Y1817-P1879 CarbonylContact O-C 3.47Å; Y1817-P1879 WeakPolarHBondContact O-CA 3.3Å; Y1817-F1880 PolarHBondContact N-O 2.82Å; Y1817-F1880 PolarHBondContact O-N 2.77Å; Y1817-Y1882 HydrophobicContact CD2-CD1 4.37Å; Y1817-Y1882 HydrophobicContact CE2-CD1 4.05Å; Y1817-L1996 HydrophobicContact CD1-CD1 4.14Å; Y1817-L1996 HydrophobicContact CD1-CD2 3.97Å; Y1817-L1996 HydrophobicContact CD1-CG 3.85Å; Y1817-L1996 HydrophobicContact CE1-CD2 4.26Å; Y1817-L1996 HydrophobicContact CE1-CG 4.49Å; Y1817-L1996 HydrophobicContact CG-CD1 4.44Å; Y1817-V1997 CarbonylContact C-O 3.2Å; Y1817-V1997 WeakPolarHBondContact CA-O 3.33Å; Y1817-T1998 HydrophobicContact CD1-CG2 4.16Å; Y1817-T1998 HydrophobicContact CE1-CG2 3.68Å |
| 1818 | I | 89.6 | Confident | 87.9 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 115.7 | 172.1 | -66.7 | 163 | 0 | 0 | 0 | 107.5 | R1820 V1877 F1878 P1879 V1997 A2002 | I1818-R1820 HydrophobicContact CG2-CG 4.11Å; I1818-V1877 HydrophobicContact CG2-CG1 3.46Å; I1818-V1877 VanDerWaalsContact CG2-CG1 3.46Å; I1818-F1878 WeakPolarHBondContact CA-O 3.25Å; I1818-P1879 HydrophobicContact CG1-CB 4.07Å; I1818-V1997 HydrophobicContact CB-CG2 3.96Å; I1818-V1997 HydrophobicContact CG2-CG2 4.41Å; I1818-V1997 PolarHBondContact N-O 2.9Å; I1818-V1997 WeakPolarHBondContact O-CG2 3.4Å; I1818-V1997 PolarHBondContact O-N 2.93Å; I1818-A2002 HydrophobicContact CB-CB 4.46Å; I1818-A2002 HydrophobicContact CD1-CB 3.37Å; I1818-A2002 HydrophobicContact CG1-CB 4.42Å |
| 1819 | L | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.3 | 169.9 | 176 | 65.3 | 0 | 0 | 0 | 108.7 | L1850 F1878 F1880 L1911 L1934 L1964 M1994 L1996 | L1819-L1850 HydrophobicContact CD2-CD2 3.95Å; L1819-L1850 HydrophobicContact CD2-CG 4.48Å; L1819-F1878 HydrophobicContact CB-CB 4.35Å; L1819-F1878 HydrophobicContact CD2-CD2 4.23Å; L1819-F1878 HydrophobicContact CG-CD2 4.45Å; L1819-F1878 PolarHBondContact N-O 2.87Å; L1819-F1878 PolarHBondContact O-N 2.99Å; L1819-F1880 HydrophobicContact CB-CE1 3.84Å; L1819-L1911 HydrophobicContact CD2-CD1 4.1Å; L1819-L1911 HydrophobicContact CD2-CD2 4.34Å; L1819-L1934 HydrophobicContact CD2-CD1 4.09Å; L1819-L1934 HydrophobicContact CD2-CD2 4.31Å; L1819-L1964 HydrophobicContact CD1-CD2 3.6Å; L1819-M1994 HydrophobicContact CD1-CB 4.43Å; L1819-M1994 HydrophobicContact CD1-CG 4.49Å; L1819-L1996 HydrophobicContact CB-CD1 4.17Å; L1819-L1996 HydrophobicContact CD1-CD1 4.43Å |
| 1820 | R | 92.2 | Very high | 87.5 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.8 | 174.2 | -60 | 173.4 | -177.3 | -170.2 | -7 | 108.1 | I1818 F1876 M1994 E1995 A2002 R2005 | I1818-R1820 HydrophobicContact CG2-CG 4.11Å; R1820-F1876 WeakPolarHBondContact CA-O 3.14Å; R1820-M1994 CarbonylContact O-C 3.44Å; R1820-M1994 WeakPolarHBondContact O-CA 3.3Å; R1820-E1995 HydrophobicContact CB-CB 4.38Å; R1820-E1995 PolarHBondContact N-O 3.47Å; R1820-E1995 PolarHBondContact O-N 2.96Å; R1820-A2002 VanDerWaalsContact NH2-CA 3.26Å; R1820-R2005 PolarHBondContact NH1-O 2.81Å; R1820-R2005 PolarHBondContact NH2-O 2.95Å |
| 1821 | L | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 115.1 | 177.2 | -175.5 | 76.8 | 0 | 0 | 0 | 109.1 | V1823 R1875 F1876 L1911 L1913 M1992 E1993 M1994 | L1821-V1823 HydrophobicContact CD2-CG2 4.15Å; L1821-V1823 HydrophobicContact CG-CG2 4.45Å; L1821-R1875 CarbonylContact O-C 3.5Å; L1821-R1875 WeakPolarHBondContact O-CA 3.47Å; L1821-F1876 HydrophobicContact CB-CB 4.22Å; L1821-F1876 HydrophobicContact CD2-CD2 3.77Å; L1821-F1876 HydrophobicContact CD2-CE2 4.34Å; L1821-F1876 PolarHBondContact N-O 3.35Å; L1821-F1876 PolarHBondContact O-N 2.86Å; L1821-L1911 HydrophobicContact CD1-CD2 4.47Å; L1821-L1911 HydrophobicContact CD2-CD2 4.49Å; L1821-L1913 HydrophobicContact CD2-CD1 3.96Å; L1821-L1913 HydrophobicContact CD2-CD2 3.51Å; L1821-L1913 HydrophobicContact CD2-CG 4.34Å; L1821-M1992 HydrophobicContact CD1-CB 4.07Å; L1821-M1992 HydrophobicContact CD1-CG 4.08Å; L1821-M1992 HydrophobicContact CD1-SD 3.69Å; L1821-M1992 HydrophobicContact CD2-SD 4.27Å; L1821-M1992 HydrophobicContact CG-SD 4.46Å; L1821-E1993 CarbonylContact C-O 3.59Å; L1821-E1993 WeakPolarHBondContact CA-O 3.11Å; L1821-M1994 HydrophobicContact CD1-CB 4.35Å; L1821-M1994 HydrophobicContact CD1-CG 3.15Å; L1821-M1994 HydrophobicContact CD1-SD 4.12Å |
| 1822 | V | 92.6 | Very high | 86.2 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 113.1 | 170.2 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | W1824 W1874 R1875 M1992 E1993 P2018 L2020 | V1822-W1824 HydrophobicContact CG1-CD2 3.88Å; V1822-W1824 HydrophobicContact CG1-CE3 4.4Å; V1822-W1824 HydrophobicContact CG1-CG 4.27Å; V1822-W1824 HydrophobicContact CG1-CH2 4.34Å; V1822-W1824 HydrophobicContact CG1-CZ2 3.82Å; V1822-W1824 PolarHBondContact O-N 2.97Å; V1822-W1874 CarbonylContact C-O 3.54Å; V1822-W1874 WeakPolarHBondContact CA-O 3.22Å; V1822-R1875 HydrophobicContact CG2-CG 4.16Å; V1822-M1992 CarbonylContact O-C 3.58Å; V1822-M1992 WeakPolarHBondContact O-CA 3.35Å; V1822-M1992 WeakPolarHBondContact O-CB 3.43Å; V1822-E1993 HydrophobicContact CB-CB 4.37Å; V1822-E1993 PolarHBondContact N-O 2.99Å; V1822-E1993 PolarHBondContact O-N 2.85Å; V1822-P2018 HydrophobicContact CG2-CG 4.32Å; V1822-L2020 HydrophobicContact CG1-CD1 4.34Å; V1822-L2020 HydrophobicContact CG1-CD2 3.69Å |
| 1823 | V | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 106 | 168.5 | -178 | 0 | 0 | 0 | 0 | 107.2 | L1821 V1846 T1859 F1872 N1873 W1874 F1876 I1990 | L1821-V1823 HydrophobicContact CD2-CG2 4.15Å; L1821-V1823 HydrophobicContact CG-CG2 4.45Å; V1823-V1846 HydrophobicContact CG1-CG2 4.44Å; V1823-T1859 HydrophobicContact CB-CG2 4.25Å; V1823-T1859 HydrophobicContact CG1-CG2 4.33Å; V1823-T1859 HydrophobicContact CG2-CG2 4.43Å; V1823-F1872 HydrophobicContact CG1-CB 4.46Å; V1823-F1872 HydrophobicContact CG1-CD2 3.87Å; V1823-F1872 HydrophobicContact CG1-CG 4.41Å; V1823-N1873 PolarHBondContact O-N 3.02Å; V1823-W1874 PolarHBondContact N-O 2.86Å; V1823-W1874 PolarHBondContact O-N 3Å; V1823-F1876 HydrophobicContact CG2-CD2 4.41Å; V1823-F1876 HydrophobicContact CG2-CE2 3.99Å; V1823-F1876 HydrophobicContact CG2-CZ 4.4Å; V1823-I1990 HydrophobicContact CG1-CD1 3.92Å; V1823-I1990 HydrophobicContact CG1-CG1 4.22Å; V1823-I1990 HydrophobicContact CG2-CD1 4.21Å |
| 1824 | W | 91.4 | Very high | 84.7 | Confident | 65 Ų | 65 | 40.8 Ų | 40.8 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -66.6 | 178.1 | -69.2 | 103.4 | 0 | 0 | 0 | 108.8 | V1822 F1872 N1873 E1991 P2018 L2020 | V1822-W1824 HydrophobicContact CG1-CD2 3.88Å; V1822-W1824 HydrophobicContact CG1-CE3 4.4Å; V1822-W1824 HydrophobicContact CG1-CG 4.27Å; V1822-W1824 HydrophobicContact CG1-CH2 4.34Å; V1822-W1824 HydrophobicContact CG1-CZ2 3.82Å; V1822-W1824 PolarHBondContact O-N 2.97Å; W1824-F1872 PolarHBondContact O-N 3.37Å; W1824-N1873 HydrophobicContact CE3-CB 4.5Å; W1824-N1873 PolarHBondContact O-N 3.29Å; W1824-N1873 VanDerWaalsContact O-N 3.15Å; W1824-E1991 HydrophobicContact CB-CB 4.37Å; W1824-E1991 HydrophobicContact CB-CG 4.11Å; W1824-E1991 PolarHBondContact N-O 3.3Å; W1824-P2018 HydrophobicContact CZ2-CG 4.3Å; W1824-L2020 HydrophobicContact CH2-CD2 3.64Å; W1824-L2020 HydrophobicContact CZ2-CD2 4.25Å; W1824-L2020 HydrophobicContact CZ3-CD2 3.91Å |
| 1825 | N | 91.3 | Very high | 83.6 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162.7 | -172.7 | -52.8 | -53.6 | 0 | 0 | 0 | 111.6 | F1827 G1870 N1871 E1991 | N1825-F1827 HydrophobicContact CB-CD2 4.28Å; N1825-F1827 HydrophobicContact CB-CE2 3.55Å; N1825-F1827 HydrophobicContact CB-CZ 3.87Å; N1825-G1870 CarbonylContact C-O 3.52Å; N1825-G1870 WeakPolarHBondContact CA-O 3.41Å; N1825-G1870 WeakPolarHBondContact CB-O 3.26Å; N1825-N1871 WeakPolarHBondContact OD1-CA 3.32Å; N1825-N1871 PolarHBondContact OD1-OD1 3.1Å; N1825-E1991 HydrophobicContact CB-CB 4.37Å; N1825-E1991 PolarHBondContact N-O 2.84Å; N1825-E1991 PolarHBondContact ND2-OE2 2.74Å; N1825-E1991 PolarHBondContact O-N 2.83Å |
| 1826 | T | 91.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 152 | 161.3 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | V1846 E1869 G1870 F1872 F1976 K1989 I1990 | T1826-V1846 HydrophobicContact CG2-CG2 3.77Å; T1826-E1869 CarbonylContact O-C 3.47Å; T1826-E1869 VanDerWaalsContact O-CA 3.22Å; T1826-E1869 WeakPolarHBondContact O-CA 3.17Å; T1826-G1870 PolarHBondContact N-O 3.39Å; T1826-G1870 PolarHBondContact O-N 2.77Å; T1826-G1870 WeakPolarHBondContact OG1-CA 3.37Å; T1826-G1870 PolarHBondContact OG1-N 3.48Å; T1826-G1870 VanDerWaalsContact OG1-N 3.11Å; T1826-F1872 HydrophobicContact CG2-CE2 3.88Å; T1826-F1976 HydrophobicContact CG2-CE2 4.26Å; T1826-K1989 CarbonylContact C-O 3.5Å; T1826-K1989 WeakPolarHBondContact CA-O 3.28Å; T1826-I1990 HydrophobicContact CG2-CB 4.44Å; T1826-I1990 HydrophobicContact CG2-CG1 4.3Å |
| 1827 | F | 89.6 | Confident | 81.1 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 13% | 0.127 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.8 | -177.3 | -66.6 | -81.1 | 0 | 0 | 0 | 110.6 | N1825 V1829 G1868 E1869 R1944 F1973 K1989 E1991 | N1825-F1827 HydrophobicContact CB-CD2 4.28Å; N1825-F1827 HydrophobicContact CB-CE2 3.55Å; N1825-F1827 HydrophobicContact CB-CZ 3.87Å; F1827-V1829 PolarHBondContact O-N 2.85Å; F1827-V1829 VanDerWaalsContact O-N 3.14Å; F1827-G1868 CarbonylContact C-O 3.36Å; F1827-E1869 HydrophobicContact CD1-CB 4.44Å; F1827-E1869 HydrophobicContact CD1-CG 3.71Å; F1827-E1869 WeakPolarHBondContact CD1-OE1 3.32Å; F1827-E1869 HydrophobicContact CE1-CG 4.19Å; F1827-R1944 HydrophobicContact CB-CG 4.29Å; F1827-F1973 HydrophobicContact CD2-CD1 4.3Å; F1827-F1973 AromaticContact CD2-CE1 3.66Å; F1827-F1973 HydrophobicContact CD2-CE1 3.66Å; F1827-F1973 AromaticContact CE2-CE1 3.64Å; F1827-F1973 HydrophobicContact CE2-CE1 3.64Å; F1827-F1973 HydrophobicContact CE2-CZ 4.35Å; F1827-K1989 HydrophobicContact CB-CB 4.47Å; F1827-K1989 PolarHBondContact N-O 3.22Å; F1827-K1989 PolarHBondContact O-N 3.14Å; F1827-E1991 HydrophobicContact CE2-CB 4.22Å |
| 1828 | D | 87.2 | Confident | 79.7 | Confident | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 55.5 | 26.8 | 178.8 | -58.5 | -47.8 | 0 | 0 | 0 | 112.6 | G1868 R1944 G1988 K1989 | D1828-G1868 PolarHBondContact N-O 2.82Å; D1828-R1944 VanDerWaalsContact CG-NH2 3.31Å; D1828-R1944 IonicContact OD1-CZ 3.77Å; D1828-R1944 IonicContact OD1-NE 2.81Å; D1828-R1944 PolarHBondContact OD1-NE 2.78Å; D1828-R1944 IonicContact OD1-NH2 3.87Å; D1828-R1944 PolarHBondContact OD1-NH2 3.04Å; D1828-R1944 IonicContact OD2-CZ 3.84Å; D1828-R1944 IonicContact OD2-NE 2.64Å; D1828-R1944 PolarHBondContact OD2-NE 2.8Å; D1828-R1944 IonicContact OD2-NH2 3.45Å; D1828-G1988 WeakPolarHBondContact O-CA 3.46Å; D1828-K1989 HydrophobicContact CB-CD 4.44Å; D1828-K1989 WeakPolarHBondContact OD2-CD 3.19Å; D1828-K1989 VanDerWaalsContact OD2-CE 3.32Å; D1828-K1989 WeakPolarHBondContact OD2-CE 3.46Å; D1828-K1989 IonicContact OD2-NZ 2.89Å; D1828-K1989 PolarHBondContact OD2-NZ 3.13Å |
| 1829 | V | 86.5 | Confident | 78.5 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | trans | -69.4 | 132.1 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | F1827 L1831 I1844 G1868 V1915 I1927 T1987 | F1827-V1829 PolarHBondContact O-N 2.85Å; F1827-V1829 VanDerWaalsContact O-N 3.14Å; V1829-L1831 PolarHBondContact O-N 3.35Å; V1829-I1844 HydrophobicContact CB-CD1 3.69Å; V1829-I1844 HydrophobicContact CB-CG1 4.45Å; V1829-I1844 HydrophobicContact CG1-CD1 3.84Å; V1829-I1844 HydrophobicContact CG1-CG1 4.05Å; V1829-I1844 HydrophobicContact CG1-CG2 4.28Å; V1829-I1844 HydrophobicContact CG2-CD1 4.05Å; V1829-I1844 HydrophobicContact CG2-CG2 4.38Å; V1829-G1868 WeakPolarHBondContact CB-O 3.23Å; V1829-G1868 WeakPolarHBondContact CG2-O 3.42Å; V1829-G1868 PolarHBondContact N-O 3.49Å; V1829-G1868 VanDerWaalsContact O-CA 3.28Å; V1829-G1868 WeakPolarHBondContact O-CA 3.2Å; V1829-V1915 HydrophobicContact CG1-CG2 4.13Å; V1829-V1915 HydrophobicContact CG2-CG2 4.44Å; V1829-I1927 HydrophobicContact CG1-CD1 3.73Å; V1829-I1927 HydrophobicContact CG1-CG2 3.95Å; V1829-T1987 WeakPolarHBondContact CA-O 3.38Å | ||
| 1830 | V | 82.4 | Confident | 77.5 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 38% | 0.376 | 29% | 0.294 | S | S | . | . | trans | -58.4 | 136.7 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | I1927 T1987 | V1830-I1927 HydrophobicContact CB-CG2 4.39Å; V1830-T1987 HydrophobicContact CG2-CG2 4.47Å; V1830-T1987 PolarHBondContact N-O 2.79Å; V1830-T1987 VanDerWaalsContact N-O 3.09Å | ||
| 1831 | L | 76.4 | Confident | 76.7 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | trans | -102.8 | 111.2 | -177.9 | -62 | 178.1 | 0 | 0 | 0 | 109.2 | V1829 Q1840 S1842 S1865 L1866 | V1829-L1831 PolarHBondContact O-N 3.35Å; L1831-Q1840 HydrophobicContact CB-CB 4.12Å; L1831-Q1840 HydrophobicContact CD1-CB 4.36Å; L1831-S1842 WeakPolarHBondContact CA-OG 3.3Å; L1831-S1865 WeakPolarHBondContact CD2-O 3.17Å; L1831-L1866 WeakPolarHBondContact CD1-O 3.36Å | ||
| 1832 | D | 66.5 | Low | 76.1 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | trans | -98.5 | -29.3 | -171.3 | -75.9 | -31.1 | 0 | 0 | 0 | 113.6 | S1842 | D1832-S1842 PolarHBondContact N-OG 2.84Š| ||
| 1833 | E | 65.6 | Low | 75.8 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 160.1 | 177.5 | -62.2 | -162.5 | 123.6 | 0 | 0 | 114.1 | Q1840 M1841 | E1833-Q1840 CarbonylContact O-C 3.21Å; E1833-Q1840 WeakPolarHBondContact O-CA 3.45Å; E1833-M1841 CarbonylContact C-O 3.56Å; E1833-M1841 WeakPolarHBondContact CA-O 3.47Å; E1833-M1841 HydrophobicContact CB-CG 4.35Å; E1833-M1841 WeakPolarHBondContact CB-O 3.3Å; E1833-M1841 PolarHBondContact N-O 3.14Å; E1833-M1841 PolarHBondContact O-N 3.45Å |
| 1834 | K | 63.6 | Low | 75.5 | Confident | 155 Ų | 155 | 56.8 Ų | 56.8 | 67% | 0.674 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.1 | 164.8 | -76.9 | 177.3 | -177.7 | 168.2 | 0 | 110.4 | E1839 Q1840 | K1834-E1839 CarbonylContact C-O 3.57Å; K1834-E1839 WeakPolarHBondContact CA-O 3.24Å; K1834-Q1840 HydrophobicContact CG-CG 3.93Å |
| 1835 | S | 58.9 | Low | 75.6 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | trans | -56.7 | 159.1 | 170.4 | 147.5 | 0 | 0 | 0 | 0 | 112.5 | T1837 G1838 E1839 | S1835-T1837 PolarHBondContact O-N 2.8Å; S1835-T1837 PolarHBondContact OG-N 2.62Å; S1835-T1837 PolarHBondContact OG-OG1 3.07Å; S1835-G1838 WeakPolarHBondContact O-CA 3.44Å; S1835-G1838 PolarHBondContact O-N 3.11Å; S1835-E1839 WeakPolarHBondContact CB-O 3.48Å; S1835-E1839 PolarHBondContact N-O 2.99Å | ||
| 1836 | I | 57.4 | Low | 75.7 | Confident | 181 Ų | 181 | 52.6 Ų | 52.6 | 93% | 0.928 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -24.8 | 171.2 | -50.8 | 167.6 | 0 | 0 | 0 | 111.8 | G1838 | I1836-G1838 VanDerWaalsContact C-N 3.3Š|
| 1837 | T | 55.1 | Low | 75.8 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.5 | 173.3 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | S1835 E1839 | S1835-T1837 PolarHBondContact O-N 2.8Å; S1835-T1837 PolarHBondContact OG-N 2.62Å; S1835-T1837 PolarHBondContact OG-OG1 3.07Å; T1837-E1839 PolarHBondContact OG1-OE2 3.3Å |
| 1838 | G | 58.5 | Low | 75.9 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 56% | 0.557 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 84.9 | 2.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | S1835 I1836 | S1835-G1838 WeakPolarHBondContact O-CA 3.44Å; S1835-G1838 PolarHBondContact O-N 3.11Å; I1836-G1838 VanDerWaalsContact C-N 3.3Å |
| 1839 | E | 64.4 | Low | 76.2 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | trans | -81.5 | 132.6 | 179.8 | -69.7 | 171 | 167.8 | 0 | 0 | 110.8 | K1834 S1835 T1837 L1866 | K1834-E1839 CarbonylContact C-O 3.57Å; K1834-E1839 WeakPolarHBondContact CA-O 3.24Å; S1835-E1839 WeakPolarHBondContact CB-O 3.48Å; S1835-E1839 PolarHBondContact N-O 2.99Å; T1837-E1839 PolarHBondContact OG1-OE2 3.3Å; E1839-L1866 HydrophobicContact CB-CD2 4.1Å | ||
| 1840 | Q | 71 | Confident | 76.4 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 137.4 | 174.2 | -73 | 179.7 | -57.4 | 0 | 0 | 111 | L1831 E1833 K1834 | L1831-Q1840 HydrophobicContact CB-CB 4.12Å; L1831-Q1840 HydrophobicContact CD1-CB 4.36Å; E1833-Q1840 CarbonylContact O-C 3.21Å; E1833-Q1840 WeakPolarHBondContact O-CA 3.45Å; K1834-Q1840 HydrophobicContact CG-CG 3.93Å |
| 1841 | M | 74.2 | Confident | 76.2 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 164.2 | 178 | 60.9 | -178 | 48.6 | 0 | 0 | 111.4 | E1833 R1864 S1865 L1866 | E1833-M1841 CarbonylContact C-O 3.56Å; E1833-M1841 WeakPolarHBondContact CA-O 3.47Å; E1833-M1841 HydrophobicContact CB-CG 4.35Å; E1833-M1841 WeakPolarHBondContact CB-O 3.3Å; E1833-M1841 PolarHBondContact N-O 3.14Å; E1833-M1841 PolarHBondContact O-N 3.45Å; M1841-R1864 HydrophobicContact CE-CB 4.24Å; M1841-R1864 HydrophobicContact CE-CG 4.34Å; M1841-R1864 HydrophobicContact SD-CB 4.1Å; M1841-R1864 HydrophobicContact SD-CG 3.78Å; M1841-S1865 VanDerWaalsContact CA-O 3.24Å; M1841-S1865 WeakPolarHBondContact CA-O 3.38Å; M1841-L1866 HydrophobicContact CB-CD2 4.14Å; M1841-L1866 HydrophobicContact CE-CD2 3.57Å |
| 1842 | S | 82 | Confident | 76.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.9 | 168.5 | -75.7 | 0 | 0 | 0 | 0 | 110.3 | L1831 D1832 I1844 S1865 D1917 | L1831-S1842 WeakPolarHBondContact CA-OG 3.3Å; D1832-S1842 PolarHBondContact N-OG 2.84Å; S1842-I1844 PolarHBondContact O-N 2.79Å; S1842-S1865 PolarHBondContact N-O 2.88Å; S1842-S1865 VanDerWaalsContact N-O 3.15Å; S1842-S1865 VanDerWaalsContact O-CB 3.29Å; S1842-S1865 WeakPolarHBondContact O-CB 3.1Å; S1842-S1865 PolarHBondContact O-N 3.03Å; S1842-D1917 WeakPolarHBondContact CA-OD1 3.3Å; S1842-D1917 WeakPolarHBondContact CB-OD1 3.38Å; S1842-D1917 WeakPolarHBondContact CB-OD2 3.28Å; S1842-D1917 PolarHBondContact OG-OD2 3.26Å |
| 1843 | D | 84.6 | Confident | 76.8 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 73.1 | 176.3 | -72.1 | -16.5 | 0 | 0 | 0 | 109.5 | V1861 Y1863 R1864 D1917 N1918 | D1843-V1861 HydrophobicContact CB-CG1 3.87Å; D1843-V1861 WeakPolarHBondContact O-CG1 3.37Å; D1843-Y1863 HydrophobicContact CB-CD1 4.11Å; D1843-Y1863 WeakPolarHBondContact OD1-CA 3.45Å; D1843-Y1863 WeakPolarHBondContact OD2-CD1 3.4Å; D1843-R1864 PolarHBondContact OD1-N 2.83Å; D1843-D1917 WeakPolarHBondContact CA-OD1 3.27Å; D1843-D1917 PolarHBondContact N-OD1 3.17Å; D1843-N1918 HydrophobicContact CB-CB 3.99Å; D1843-N1918 WeakPolarHBondContact CB-O 3.17Å; D1843-N1918 WeakPolarHBondContact O-CB 3.36Å; D1843-N1918 PolarHBondContact O-N 3.09Å |
| 1844 | I | 88.5 | Confident | 77 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.3 | -164.6 | -53.7 | 165 | 0 | 0 | 0 | 112.2 | V1829 S1842 H1862 F1872 V1915 W1916 | V1829-I1844 HydrophobicContact CB-CD1 3.69Å; V1829-I1844 HydrophobicContact CB-CG1 4.45Å; V1829-I1844 HydrophobicContact CG1-CD1 3.84Å; V1829-I1844 HydrophobicContact CG1-CG1 4.05Å; V1829-I1844 HydrophobicContact CG1-CG2 4.28Å; V1829-I1844 HydrophobicContact CG2-CD1 4.05Å; V1829-I1844 HydrophobicContact CG2-CG2 4.38Å; S1842-I1844 PolarHBondContact O-N 2.79Å; I1844-H1862 PolarHBondContact N-O 3.35Å; I1844-H1862 PolarHBondContact O-N 2.84Å; I1844-F1872 HydrophobicContact CB-CZ 4.47Å; I1844-F1872 HydrophobicContact CG2-CZ 4.09Å; I1844-F1872 VanDerWaalsContact O-CE1 3.3Å; I1844-F1872 WeakPolarHBondContact O-CE1 3.36Å; I1844-F1872 WeakPolarHBondContact O-CZ 3.37Å; I1844-V1915 HydrophobicContact CG2-CG2 3.63Å; I1844-W1916 WeakPolarHBondContact CA-O 3.01Å |
| 1845 | Y | 92 | Very high | 77.9 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 164.3 | 164.3 | 77 | -81.6 | 0 | 0 | 0 | 112.7 | K1847 K1858 V1861 V1915 W1916 N1918 D1924 | Y1845-K1847 HydrophobicContact CD2-CG 4.36Å; Y1845-K1847 HydrophobicContact CE2-CD 4.19Å; Y1845-K1847 HydrophobicContact CE2-CG 3.73Å; Y1845-K1847 WeakPolarHBondContact OH-CE 3.43Å; Y1845-K1847 PolarHBondContact OH-NZ 3.35Å; Y1845-K1858 HydrophobicContact CD2-CB 4.29Å; Y1845-K1858 HydrophobicContact CE2-CB 4.37Å; Y1845-K1858 HydrophobicContact CE2-CD 4.22Å; Y1845-V1861 HydrophobicContact CD1-CG2 4.41Å; Y1845-V1861 HydrophobicContact CG-CG2 4.42Å; Y1845-V1915 WeakPolarHBondContact O-CA 3.43Å; Y1845-W1916 HydrophobicContact CD1-CB 3.85Å; Y1845-W1916 HydrophobicContact CE1-CB 3.34Å; Y1845-W1916 HydrophobicContact CE1-CG 4.28Å; Y1845-W1916 HydrophobicContact CE2-CB 4.13Å; Y1845-W1916 HydrophobicContact CE2-CG 4.4Å; Y1845-W1916 HydrophobicContact CG-CB 4.46Å; Y1845-W1916 VanDerWaalsContact CZ-CB 3.49Å; Y1845-W1916 AromaticContact CZ-CG 3.95Å; Y1845-W1916 PolarHBondContact N-O 3.44Å; Y1845-W1916 PolarHBondContact O-N 3.13Å; Y1845-N1918 HydrophobicContact CD1-CB 3.83Å; Y1845-N1918 HydrophobicContact CE1-CB 3.94Å; Y1845-D1924 HydrophobicContact CE1-CB 4.24Å; Y1845-D1924 WeakPolarHBondContact CE1-OD2 3.27Å; Y1845-D1924 VanDerWaalsContact CZ-OD2 3.28Å; Y1845-D1924 PolarHBondContact OH-OD2 3.11Å |
| 1846 | V | 93.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137 | -177.3 | 178 | 0 | 0 | 0 | 0 | 111 | V1823 T1826 K1858 T1859 F1872 L1913 Q1914 V1915 F1976 I1990 | V1823-V1846 HydrophobicContact CG1-CG2 4.44Å; T1826-V1846 HydrophobicContact CG2-CG2 3.77Å; V1846-K1858 CarbonylContact O-C 3.54Å; V1846-K1858 VanDerWaalsContact O-CA 3.22Å; V1846-K1858 WeakPolarHBondContact O-CA 3.18Å; V1846-T1859 HydrophobicContact CB-CG2 4.05Å; V1846-T1859 PolarHBondContact N-OG1 3.41Å; V1846-T1859 PolarHBondContact O-N 2.91Å; V1846-F1872 HydrophobicContact CG2-CE2 4.34Å; V1846-L1913 HydrophobicContact CG1-CD2 4.47Å; V1846-Q1914 CarbonylContact C-O 3.42Å; V1846-Q1914 VanDerWaalsContact CA-O 3.25Å; V1846-Q1914 WeakPolarHBondContact CA-O 3.49Å; V1846-Q1914 WeakPolarHBondContact CG1-O 3.27Å; V1846-V1915 HydrophobicContact CG2-CB 4.46Å; V1846-V1915 HydrophobicContact CG2-CG2 4.46Å; V1846-F1976 HydrophobicContact CG1-CZ 4.25Å; V1846-F1976 HydrophobicContact CG2-CZ 4.49Å; V1846-I1990 HydrophobicContact CG1-CD1 3.96Å; V1846-I1990 HydrophobicContact CG2-CD1 4.31Å |
| 1847 | K | 93.5 | Very high | 80.9 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 148.8 | 169.8 | -60.9 | -178.5 | -171.8 | 158.9 | 0 | 110.4 | Y1845 W1849 Q1857 K1858 L1913 Q1914 | Y1845-K1847 HydrophobicContact CD2-CG 4.36Å; Y1845-K1847 HydrophobicContact CE2-CD 4.19Å; Y1845-K1847 HydrophobicContact CE2-CG 3.73Å; Y1845-K1847 WeakPolarHBondContact OH-CE 3.43Å; Y1845-K1847 PolarHBondContact OH-NZ 3.35Å; K1847-W1849 HydrophobicContact CB-CZ3 4.31Å; K1847-Q1857 CarbonylContact C-O 3.5Å; K1847-Q1857 VanDerWaalsContact CA-O 3.28Å; K1847-Q1857 WeakPolarHBondContact CA-O 3.02Å; K1847-K1858 HydrophobicContact CG-CB 4.05Å; K1847-L1913 CarbonylContact O-C 3.54Å; K1847-L1913 VanDerWaalsContact O-CA 3.29Å; K1847-L1913 WeakPolarHBondContact O-CA 3.24Å; K1847-Q1914 HydrophobicContact CB-CB 4.48Å; K1847-Q1914 PolarHBondContact N-O 2.72Å; K1847-Q1914 PolarHBondContact O-N 3.07Å |
| 1848 | G | 93 | Very high | 82.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 145.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1857 F1878 V1912 | G1848-Q1857 PolarHBondContact N-O 2.96Å; G1848-Q1857 PolarHBondContact O-N 3.12Å; G1848-F1878 WeakPolarHBondContact O-CE1 3.47Å; G1848-F1878 VanDerWaalsContact O-CZ 3.3Å; G1848-F1878 WeakPolarHBondContact O-CZ 3.09Å; G1848-V1912 CarbonylContact C-O 3.42Å; G1848-V1912 VanDerWaalsContact CA-O 3.24Å; G1848-V1912 WeakPolarHBondContact CA-O 3.16Å |
| 1849 | W | 93.3 | Very high | 84.3 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 165 | 174.2 | 64.4 | 99.1 | 0 | 0 | 0 | 112 | K1847 R1856 V1912 Q1914 | K1847-W1849 HydrophobicContact CB-CZ3 4.31Å; W1849-R1856 HydrophobicContact CB-CB 4.49Å; W1849-R1856 HydrophobicContact CB-CG 4.01Å; W1849-R1856 HydrophobicContact CD2-CG 4.05Å; W1849-R1856 HydrophobicContact CE3-CB 4.5Å; W1849-R1856 HydrophobicContact CE3-CG 4.14Å; W1849-R1856 HydrophobicContact CG-CG 4.01Å; W1849-V1912 HydrophobicContact CD2-CB 4.13Å; W1849-V1912 HydrophobicContact CD2-CG1 4.44Å; W1849-V1912 HydrophobicContact CH2-CB 4.45Å; W1849-V1912 HydrophobicContact CH2-CG1 3.73Å; W1849-V1912 HydrophobicContact CZ2-CB 3.9Å; W1849-V1912 HydrophobicContact CZ2-CG1 3.43Å; W1849-V1912 VanDerWaalsContact CZ2-CG1 3.43Å; W1849-V1912 HydrophobicContact CZ3-CG1 4.34Å; W1849-V1912 PolarHBondContact N-O 3.08Å; W1849-V1912 PolarHBondContact O-N 2.44Å; W1849-Q1914 VanDerWaalsContact CH2-CD 3.5Å; W1849-Q1914 HydrophobicContact CH2-CG 4.03Å; W1849-Q1914 HydrophobicContact CZ3-CG 4.22Å |
| 1850 | L | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.6 | 168.9 | -72.5 | 172.6 | 0 | 0 | 0 | 109.9 | L1819 G1852 L1853 F1878 F1880 I1889 Q1910 L1911 L1934 | L1819-L1850 HydrophobicContact CD2-CD2 3.95Å; L1819-L1850 HydrophobicContact CD2-CG 4.48Å; L1850-G1852 PolarHBondContact O-N 3Å; L1850-L1853 HydrophobicContact CB-CB 4.48Å; L1850-L1853 HydrophobicContact CB-CD1 3.84Å; L1850-L1853 HydrophobicContact CD1-CD1 3.96Å; L1850-L1853 PolarHBondContact O-N 3.15Å; L1850-F1878 HydrophobicContact CD1-CB 3.74Å; L1850-F1878 HydrophobicContact CD1-CG 4.45Å; L1850-F1878 HydrophobicContact CG-CB 4.22Å; L1850-F1878 HydrophobicContact CG-CG 4.41Å; L1850-F1880 HydrophobicContact CD1-CB 4.22Å; L1850-F1880 HydrophobicContact CD1-CD1 3.64Å; L1850-F1880 HydrophobicContact CD1-CE1 4.11Å; L1850-F1880 HydrophobicContact CD1-CG 3.95Å; L1850-I1889 HydrophobicContact CD1-CD1 4.32Å; L1850-Q1910 CarbonylContact C-O 3.4Å; L1850-Q1910 WeakPolarHBondContact CA-O 3.4Å; L1850-L1911 HydrophobicContact CD2-CB 4Å; L1850-L1911 HydrophobicContact CD2-CD1 4.1Å; L1850-L1934 HydrophobicContact CD2-CD1 3.84Å |
| 1851 | A | 79.9 | Confident | 86 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 127 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1910 | A1851-Q1910 HydrophobicContact CB-CB 3.89Å; A1851-Q1910 HydrophobicContact CB-CG 4.49Å; A1851-Q1910 PolarHBondContact N-O 3.3Å |
| 1852 | G | 74.7 | Confident | 86.5 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 39% | 0.392 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -18.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1850 I1891 | L1850-G1852 PolarHBondContact O-N 3Å; G1852-I1891 WeakPolarHBondContact O-CD1 3.26Å |
| 1853 | L | 79.4 | Confident | 86.5 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | trans | -96.1 | 138.3 | 176.3 | -73.3 | 164.6 | 0 | 0 | 0 | 111.7 | L1850 F1880 | L1850-L1853 HydrophobicContact CB-CB 4.48Å; L1850-L1853 HydrophobicContact CB-CD1 3.84Å; L1850-L1853 HydrophobicContact CD1-CD1 3.96Å; L1850-L1853 PolarHBondContact O-N 3.15Å; L1853-F1880 HydrophobicContact CD1-CB 3.79Å | ||
| 1854 | D | 70.7 | Confident | 86.1 | Confident | 146 Ų | 146 | 43.2 Ų | 43.2 | 78% | 0.781 | 21% | 0.209 | S | C | * | . | trans | -80.3 | -10.8 | -178.7 | -69.8 | -32.6 | 0 | 0 | 0 | 114.3 | R1856 | D1854-R1856 VanDerWaalsContact C-N 3.33Å; D1854-R1856 PolarHBondContact O-N 2.85Å | ||
| 1855 | D | 81.4 | Confident | 85.7 | Confident | 62 Ų | 62 | 43.3 Ų | 43.3 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | trans | -74.9 | 77.3 | -178.2 | -171.5 | 18.5 | 0 | 0 | 0 | 112 | Q1857 F1878 K2009 | D1855-Q1857 PolarHBondContact O-N 2.85Å; D1855-Q1857 PolarHBondContact OD2-NE2 2.78Å; D1855-F1878 WeakPolarHBondContact O-CE1 3.1Å; D1855-K2009 IonicContact OD1-NZ 3.64Å; D1855-K2009 PolarHBondContact OD1-NZ 2.63Å; D1855-K2009 IonicContact OD2-NZ 3.23Å; D1855-K2009 PolarHBondContact OD2-NZ 3.01Å | ||
| 1856 | R | 86.8 | Confident | 85 | Confident | 172 Ų | 172 | 46.9 Ų | 46.9 | 65% | 0.649 | 23% | 0.229 | S | C | * | . | trans | -80.7 | 109.2 | 173.7 | -59.2 | -172.1 | -175.3 | -165.6 | 2.6 | 110.9 | W1849 D1854 | W1849-R1856 HydrophobicContact CB-CB 4.49Å; W1849-R1856 HydrophobicContact CB-CG 4.01Å; W1849-R1856 HydrophobicContact CD2-CG 4.05Å; W1849-R1856 HydrophobicContact CE3-CB 4.5Å; W1849-R1856 HydrophobicContact CE3-CG 4.14Å; W1849-R1856 HydrophobicContact CG-CG 4.01Å; D1854-R1856 VanDerWaalsContact C-N 3.33Å; D1854-R1856 PolarHBondContact O-N 2.85Å | ||
| 1857 | Q | 92.9 | Very high | 84.3 | Confident | 18 Ų | 18 | 51 Ų | 51 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 151.2 | -179.2 | -62 | -178.8 | 30.3 | 0 | 0 | 110.9 | K1847 G1848 D1855 F1876 V1877 F1878 K2009 | K1847-Q1857 CarbonylContact C-O 3.5Å; K1847-Q1857 VanDerWaalsContact CA-O 3.28Å; K1847-Q1857 WeakPolarHBondContact CA-O 3.02Å; G1848-Q1857 PolarHBondContact N-O 2.96Å; G1848-Q1857 PolarHBondContact O-N 3.12Å; D1855-Q1857 PolarHBondContact O-N 2.85Å; D1855-Q1857 PolarHBondContact OD2-NE2 2.78Å; Q1857-F1876 HydrophobicContact CB-CB 4.43Å; Q1857-F1876 HydrophobicContact CB-CD1 3.62Å; Q1857-F1876 HydrophobicContact CB-CE1 3.95Å; Q1857-F1876 HydrophobicContact CB-CG 4.01Å; Q1857-V1877 PolarHBondContact NE2-O 2.85Å; Q1857-V1877 VanDerWaalsContact OE1-N 3.11Å; Q1857-F1878 HydrophobicContact CB-CE1 4.12Å; Q1857-F1878 HydrophobicContact CB-CZ 4.31Å; Q1857-F1878 HydrophobicContact CG-CE1 3.83Å; Q1857-F1878 HydrophobicContact CG-CZ 4.46Å; Q1857-K2009 VanDerWaalsContact NE2-NZ 3.16Å |
| 1858 | K | 92.5 | Very high | 83.7 | Confident | 128 Ų | 128 | 48.8 Ų | 48.8 | 56% | 0.557 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.8 | 177.1 | 67.6 | 179 | -179.9 | 176.3 | 0 | 112.1 | Y1845 V1846 K1847 W1874 | Y1845-K1858 HydrophobicContact CD2-CB 4.29Å; Y1845-K1858 HydrophobicContact CE2-CB 4.37Å; Y1845-K1858 HydrophobicContact CE2-CD 4.22Å; V1846-K1858 CarbonylContact O-C 3.54Å; V1846-K1858 VanDerWaalsContact O-CA 3.22Å; V1846-K1858 WeakPolarHBondContact O-CA 3.18Å; K1847-K1858 HydrophobicContact CG-CB 4.05Å; K1858-W1874 PolarHBondContact O-NE1 2.86Å |
| 1859 | T | 91.9 | Very high | 83.4 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 173.2 | 175.2 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | V1823 V1846 F1872 W1874 F1876 | V1823-T1859 HydrophobicContact CB-CG2 4.25Å; V1823-T1859 HydrophobicContact CG1-CG2 4.33Å; V1823-T1859 HydrophobicContact CG2-CG2 4.43Å; V1846-T1859 HydrophobicContact CB-CG2 4.05Å; V1846-T1859 PolarHBondContact N-OG1 3.41Å; V1846-T1859 PolarHBondContact O-N 2.91Å; T1859-F1872 HydrophobicContact CG2-CB 4.42Å; T1859-F1872 HydrophobicContact CG2-CD1 4.28Å; T1859-F1872 HydrophobicContact CG2-CG 4.28Å; T1859-F1872 WeakPolarHBondContact OG1-CD1 3Å; T1859-F1872 WeakPolarHBondContact OG1-CE1 3.25Å; T1859-W1874 HydrophobicContact CG2-CB 3.84Å; T1859-W1874 HydrophobicContact CG2-CG 3.83Å; T1859-F1876 HydrophobicContact CG2-CE1 3.98Å; T1859-F1876 HydrophobicContact CG2-CZ 3.66Å |
| 1860 | D | 86.5 | Confident | 83 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 165.4 | 158 | 62.9 | -2.7 | 0 | 0 | 0 | 111.1 | F1872 W1874 R2011 R2025 | D1860-F1872 VanDerWaalsContact O-CD1 3.23Å; D1860-F1872 WeakPolarHBondContact O-CD1 3.23Å; D1860-F1872 WeakPolarHBondContact O-CE1 3.42Å; D1860-W1874 HydrophobicContact CB-CE3 4.04Å; D1860-W1874 HydrophobicContact CB-CH2 4.09Å; D1860-W1874 HydrophobicContact CB-CZ3 3.48Å; D1860-W1874 VanDerWaalsContact CB-CZ3 3.48Å; D1860-R2011 IonicContact OD2-CZ 3.51Å; D1860-R2011 IonicContact OD2-NH1 3.7Å; D1860-R2011 IonicContact OD2-NH2 2.73Å; D1860-R2011 PolarHBondContact OD2-NH2 2.64Å; D1860-R2025 IonicContact OD1-CZ 3.16Å; D1860-R2025 IonicContact OD1-NH2 2.75Å; D1860-R2025 PolarHBondContact OD1-NH2 2.72Å; D1860-R2025 IonicContact OD2-CZ 3.16Å; D1860-R2025 IonicContact OD2-NH1 3.63Å; D1860-R2025 IonicContact OD2-NH2 3.25Å; D1860-R2025 PolarHBondContact OD2-NH2 3.07Å |
| 1861 | V | 85.3 | Confident | 83 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 130.1 | -176.6 | -178 | 0 | 0 | 0 | 0 | 109.9 | D1843 Y1845 Y1863 N1918 R2025 | D1843-V1861 HydrophobicContact CB-CG1 3.87Å; D1843-V1861 WeakPolarHBondContact O-CG1 3.37Å; Y1845-V1861 HydrophobicContact CD1-CG2 4.41Å; Y1845-V1861 HydrophobicContact CG-CG2 4.42Å; V1861-Y1863 HydrophobicContact CB-CD2 4.37Å; V1861-Y1863 HydrophobicContact CB-CE1 4.14Å; V1861-Y1863 HydrophobicContact CB-CE2 3.87Å; V1861-Y1863 HydrophobicContact CG1-CD1 3.85Å; V1861-Y1863 HydrophobicContact CG1-CD2 4.3Å; V1861-Y1863 HydrophobicContact CG1-CE1 3.59Å; V1861-Y1863 HydrophobicContact CG1-CE2 4.09Å; V1861-Y1863 HydrophobicContact CG1-CG 4.17Å; V1861-Y1863 PolarHBondContact O-N 3.28Å; V1861-N1918 HydrophobicContact CB-CB 4.49Å; V1861-N1918 HydrophobicContact CG1-CB 3.69Å; V1861-N1918 HydrophobicContact CG2-CB 3.93Å; V1861-R2025 PolarHBondContact O-NH1 2.81Å |
| 1862 | H | 85.8 | Confident | 83.5 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.023 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 88.9 | 166.5 | -172.6 | -179.3 | 0 | 0 | 0 | 109.6 | I1844 R1864 E1869 G1870 N1871 F1872 S2029 | I1844-H1862 PolarHBondContact N-O 3.35Å; I1844-H1862 PolarHBondContact O-N 2.84Å; H1862-R1864 PolarHBondContact O-N 3.03Å; H1862-E1869 PolarHBondContact CE1-O 3.31Å; H1862-E1869 VanDerWaalsContact CE1-O 3.23Å; H1862-E1869 PolarHBondContact ND1-O 2.96Å; H1862-G1870 VanDerWaalsContact ND1-CA 3.35Å; H1862-G1870 WeakPolarHBondContact ND1-CA 3.46Å; H1862-N1871 PolarHBondContact ND1-N 3.08Å; H1862-N1871 VanDerWaalsContact ND1-N 3.11Å; H1862-F1872 HydrophobicContact CB-CE1 4.24Å; H1862-F1872 HydrophobicContact CB-CZ 4.49Å; H1862-S2029 PolarHBondContact NE2-OG 3.34Å |
| 1863 | Y | 80 | Confident | 84.2 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 136.4 | 177.4 | -65.2 | -73.2 | 0 | 0 | 0 | 112.9 | D1843 V1861 S2029 L2031 | D1843-Y1863 HydrophobicContact CB-CD1 4.11Å; D1843-Y1863 WeakPolarHBondContact OD1-CA 3.45Å; D1843-Y1863 WeakPolarHBondContact OD2-CD1 3.4Å; V1861-Y1863 HydrophobicContact CB-CD2 4.37Å; V1861-Y1863 HydrophobicContact CB-CE1 4.14Å; V1861-Y1863 HydrophobicContact CB-CE2 3.87Å; V1861-Y1863 HydrophobicContact CG1-CD1 3.85Å; V1861-Y1863 HydrophobicContact CG1-CD2 4.3Å; V1861-Y1863 HydrophobicContact CG1-CE1 3.59Å; V1861-Y1863 HydrophobicContact CG1-CE2 4.09Å; V1861-Y1863 HydrophobicContact CG1-CG 4.17Å; V1861-Y1863 PolarHBondContact O-N 3.28Å; Y1863-S2029 WeakPolarHBondContact O-CA 3.36Å; Y1863-S2029 WeakPolarHBondContact O-CB 3.36Å; Y1863-L2031 HydrophobicContact CD1-CD1 4Å; Y1863-L2031 HydrophobicContact CD1-CG 4.28Å; Y1863-L2031 HydrophobicContact CD2-CD1 3.92Å; Y1863-L2031 HydrophobicContact CE1-CD1 3.84Å; Y1863-L2031 HydrophobicContact CE2-CD1 3.71Å; Y1863-L2031 HydrophobicContact CG-CD1 4.07Å; Y1863-L2031 HydrophobicContact CG-CG 4.33Å |
| 1864 | R | 76.7 | Confident | 84.9 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 28% | 0.279 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.6 | 50.3 | 171.9 | -56.4 | -176.5 | 171 | 177.2 | -6 | 113.5 | M1841 D1843 H1862 L1866 | M1841-R1864 HydrophobicContact CE-CB 4.24Å; M1841-R1864 HydrophobicContact CE-CG 4.34Å; M1841-R1864 HydrophobicContact SD-CB 4.1Å; M1841-R1864 HydrophobicContact SD-CG 3.78Å; D1843-R1864 PolarHBondContact OD1-N 2.83Å; H1862-R1864 PolarHBondContact O-N 3.03Å; R1864-L1866 PolarHBondContact O-N 2.84Å; R1864-L1866 VanDerWaalsContact O-N 3.15Å |
| 1865 | S | 80.3 | Confident | 86 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 109.3 | 168.6 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | L1831 M1841 S1842 N1867 G1868 E1869 | L1831-S1865 WeakPolarHBondContact CD2-O 3.17Å; M1841-S1865 VanDerWaalsContact CA-O 3.24Å; M1841-S1865 WeakPolarHBondContact CA-O 3.38Å; S1842-S1865 PolarHBondContact N-O 2.88Å; S1842-S1865 VanDerWaalsContact N-O 3.15Å; S1842-S1865 VanDerWaalsContact O-CB 3.29Å; S1842-S1865 WeakPolarHBondContact O-CB 3.1Å; S1842-S1865 PolarHBondContact O-N 3.03Å; S1865-N1867 PolarHBondContact OG-OD1 2.79Å; S1865-G1868 PolarHBondContact OG-N 2.73Å; S1865-E1869 WeakPolarHBondContact CB-O 3.44Å; S1865-E1869 PolarHBondContact OG-N 3.29Å; S1865-E1869 PolarHBondContact OG-O 2.9Å |
| 1866 | L | 77.9 | Confident | 86.6 | Confident | 79 Ų | 79 | 39.8 Ų | 39.8 | 41% | 0.414 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -85.6 | -10 | -178.5 | -69.5 | 167.2 | 0 | 0 | 0 | 113.2 | L1831 E1839 M1841 R1864 | L1831-L1866 WeakPolarHBondContact CD1-O 3.36Å; E1839-L1866 HydrophobicContact CB-CD2 4.1Å; M1841-L1866 HydrophobicContact CB-CD2 4.14Å; M1841-L1866 HydrophobicContact CE-CD2 3.57Å; R1864-L1866 PolarHBondContact O-N 2.84Å; R1864-L1866 VanDerWaalsContact O-N 3.15Å |
| 1867 | N | 79.4 | Confident | 86.7 | Confident | 88 Ų | 88 | 32.5 Ų | 32.5 | 47% | 0.471 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -130.8 | 10 | -171.7 | 64.7 | -17.6 | 0 | 0 | 0 | 113 | S1865 E1869 | S1865-N1867 PolarHBondContact OG-OD1 2.79Å; N1867-E1869 VanDerWaalsContact C-N 3.26Å; N1867-E1869 WeakPolarHBondContact ND2-CG 3.43Å; N1867-E1869 PolarHBondContact ND2-OE2 3.16Å; N1867-E1869 PolarHBondContact O-N 2.82Å; N1867-E1869 WeakPolarHBondContact OD1-CB 3.4Å; N1867-E1869 PolarHBondContact OD1-N 2.85Å |
| 1868 | G | 80.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 72.9 | 17.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1827 D1828 V1829 S1865 | F1827-G1868 CarbonylContact C-O 3.36Å; D1828-G1868 PolarHBondContact N-O 2.82Å; V1829-G1868 WeakPolarHBondContact CB-O 3.23Å; V1829-G1868 WeakPolarHBondContact CG2-O 3.42Å; V1829-G1868 PolarHBondContact N-O 3.49Å; V1829-G1868 VanDerWaalsContact O-CA 3.28Å; V1829-G1868 WeakPolarHBondContact O-CA 3.2Å; S1865-G1868 PolarHBondContact OG-N 2.73Å |
| 1869 | E | 85.8 | Confident | 86.4 | Confident | 48 Ų | 48 | 29.3 Ų | 29.3 | 22% | 0.224 | 15% | 0.148 | C | C | . | . | trans | -99.1 | 119.5 | 177.1 | -58.5 | -173.7 | 159.3 | 0 | 0 | 111.4 | T1826 F1827 H1862 S1865 N1867 R1944 | T1826-E1869 CarbonylContact O-C 3.47Å; T1826-E1869 VanDerWaalsContact O-CA 3.22Å; T1826-E1869 WeakPolarHBondContact O-CA 3.17Å; F1827-E1869 HydrophobicContact CD1-CB 4.44Å; F1827-E1869 HydrophobicContact CD1-CG 3.71Å; F1827-E1869 WeakPolarHBondContact CD1-OE1 3.32Å; F1827-E1869 HydrophobicContact CE1-CG 4.19Å; H1862-E1869 PolarHBondContact CE1-O 3.31Å; H1862-E1869 VanDerWaalsContact CE1-O 3.23Å; H1862-E1869 PolarHBondContact ND1-O 2.96Å; S1865-E1869 WeakPolarHBondContact CB-O 3.44Å; S1865-E1869 PolarHBondContact OG-N 3.29Å; S1865-E1869 PolarHBondContact OG-O 2.9Å; N1867-E1869 VanDerWaalsContact C-N 3.26Å; N1867-E1869 WeakPolarHBondContact ND2-CG 3.43Å; N1867-E1869 PolarHBondContact ND2-OE2 3.16Å; N1867-E1869 PolarHBondContact O-N 2.82Å; N1867-E1869 WeakPolarHBondContact OD1-CB 3.4Å; N1867-E1869 PolarHBondContact OD1-N 2.85Å; E1869-R1944 IonicContact OE1-CZ 3.75Å; E1869-R1944 IonicContact OE1-NH1 3.64Å; E1869-R1944 PolarHBondContact OE1-NH1 2.74Å; E1869-R1944 IonicContact OE1-NH2 3.71Å | ||
| 1870 | G | 85.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | N1825 T1826 H1862 | N1825-G1870 CarbonylContact C-O 3.52Å; N1825-G1870 WeakPolarHBondContact CA-O 3.41Å; N1825-G1870 WeakPolarHBondContact CB-O 3.26Å; T1826-G1870 PolarHBondContact N-O 3.39Å; T1826-G1870 PolarHBondContact O-N 2.77Å; T1826-G1870 WeakPolarHBondContact OG1-CA 3.37Å; T1826-G1870 PolarHBondContact OG1-N 3.48Å; T1826-G1870 VanDerWaalsContact OG1-N 3.11Å; H1862-G1870 VanDerWaalsContact ND1-CA 3.35Å; H1862-G1870 WeakPolarHBondContact ND1-CA 3.46Å |
| 1871 | N | 88.9 | Confident | 86.3 | Confident | 33 Ų | 33 | 30.7 Ų | 30.7 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117 | 175.6 | -68 | -34 | 0 | 0 | 0 | 109 | N1825 H1862 P2023 R2025 | N1825-N1871 WeakPolarHBondContact OD1-CA 3.32Å; N1825-N1871 PolarHBondContact OD1-OD1 3.1Å; H1862-N1871 PolarHBondContact ND1-N 3.08Å; H1862-N1871 VanDerWaalsContact ND1-N 3.11Å; N1871-P2023 HydrophobicContact CB-CB 4.14Å; N1871-P2023 WeakPolarHBondContact O-CB 3.49Å; N1871-R2025 HydrophobicContact CB-CG 4.39Å; N1871-R2025 VanDerWaalsContact O-CZ 3.27Å; N1871-R2025 PolarHBondContact O-NE 3.24Å; N1871-R2025 PolarHBondContact O-NH2 2.92Å |
| 1872 | F | 89.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | -50.9 | -169.1 | -56 | -75.7 | 0 | 0 | 0 | 112.8 | V1823 W1824 T1826 I1844 V1846 T1859 D1860 H1862 W1874 | V1823-F1872 HydrophobicContact CG1-CB 4.46Å; V1823-F1872 HydrophobicContact CG1-CD2 3.87Å; V1823-F1872 HydrophobicContact CG1-CG 4.41Å; W1824-F1872 PolarHBondContact O-N 3.37Å; T1826-F1872 HydrophobicContact CG2-CE2 3.88Å; I1844-F1872 HydrophobicContact CB-CZ 4.47Å; I1844-F1872 HydrophobicContact CG2-CZ 4.09Å; I1844-F1872 VanDerWaalsContact O-CE1 3.3Å; I1844-F1872 WeakPolarHBondContact O-CE1 3.36Å; I1844-F1872 WeakPolarHBondContact O-CZ 3.37Å; V1846-F1872 HydrophobicContact CG2-CE2 4.34Å; T1859-F1872 HydrophobicContact CG2-CB 4.42Å; T1859-F1872 HydrophobicContact CG2-CD1 4.28Å; T1859-F1872 HydrophobicContact CG2-CG 4.28Å; T1859-F1872 WeakPolarHBondContact OG1-CD1 3Å; T1859-F1872 WeakPolarHBondContact OG1-CE1 3.25Å; D1860-F1872 VanDerWaalsContact O-CD1 3.23Å; D1860-F1872 WeakPolarHBondContact O-CD1 3.23Å; D1860-F1872 WeakPolarHBondContact O-CE1 3.42Å; H1862-F1872 HydrophobicContact CB-CE1 4.24Å; H1862-F1872 HydrophobicContact CB-CZ 4.49Å; F1872-W1874 VanDerWaalsContact C-N 3.34Å; F1872-W1874 HydrophobicContact CB-CB 3.94Å |
| 1873 | N | 91.2 | Very high | 86 | Confident | 25 Ų | 25 | 30 Ų | 30 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.9 | 56.6 | -166 | -60 | -11.9 | 0 | 0 | 0 | 111 | V1823 W1824 R2011 E2021 | V1823-N1873 PolarHBondContact O-N 3.02Å; W1824-N1873 HydrophobicContact CE3-CB 4.5Å; W1824-N1873 PolarHBondContact O-N 3.29Å; W1824-N1873 VanDerWaalsContact O-N 3.15Å; N1873-R2011 WeakPolarHBondContact O-CG 3.46Å; N1873-E2021 WeakPolarHBondContact CB-O 3.08Å; N1873-E2021 PolarHBondContact ND2-O 3.21Å |
| 1874 | W | 92.6 | Very high | 85.6 | Confident | 44 Ų | 44 | 30.4 Ų | 30.4 | 17% | 0.167 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.2 | -168 | -165.3 | -82.7 | 0 | 0 | 0 | 112.4 | V1822 V1823 K1858 T1859 D1860 F1872 F1876 A2010 R2011 | V1822-W1874 CarbonylContact C-O 3.54Å; V1822-W1874 WeakPolarHBondContact CA-O 3.22Å; V1823-W1874 PolarHBondContact N-O 2.86Å; V1823-W1874 PolarHBondContact O-N 3Å; K1858-W1874 PolarHBondContact O-NE1 2.86Å; T1859-W1874 HydrophobicContact CG2-CB 3.84Å; T1859-W1874 HydrophobicContact CG2-CG 3.83Å; D1860-W1874 HydrophobicContact CB-CE3 4.04Å; D1860-W1874 HydrophobicContact CB-CH2 4.09Å; D1860-W1874 HydrophobicContact CB-CZ3 3.48Å; D1860-W1874 VanDerWaalsContact CB-CZ3 3.48Å; F1872-W1874 VanDerWaalsContact C-N 3.34Å; F1872-W1874 HydrophobicContact CB-CB 3.94Å; W1874-F1876 AromaticContact CD1-CD1 3.62Å; W1874-F1876 AromaticContact CD1-CE1 3.34Å; W1874-F1876 AromaticContact NE1-CD1 3.86Å; W1874-F1876 AromaticContact NE1-CE1 3.56Å; W1874-A2010 HydrophobicContact CD2-CB 3.8Å; W1874-A2010 HydrophobicContact CE3-CB 4.17Å; W1874-A2010 HydrophobicContact CH2-CB 3.62Å; W1874-A2010 HydrophobicContact CZ2-CB 3.19Å; W1874-A2010 HydrophobicContact CZ3-CB 4.08Å; W1874-R2011 VanDerWaalsContact CZ3-NH2 3.35Å |
| 1875 | R | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127.1 | 179 | -161.7 | -179.3 | -56.2 | 146.8 | -10 | 112.8 | L1821 V1822 V1877 A2007 G2008 A2010 E2016 P2018 L2020 | L1821-R1875 CarbonylContact O-C 3.5Å; L1821-R1875 WeakPolarHBondContact O-CA 3.47Å; V1822-R1875 HydrophobicContact CG2-CG 4.16Å; R1875-V1877 HydrophobicContact CG-CG2 4.05Å; R1875-A2007 VanDerWaalsContact NH1-CA 3.34Å; R1875-A2007 VanDerWaalsContact NH1-CB 3.29Å; R1875-G2008 WeakPolarHBondContact CD-O 3.41Å; R1875-G2008 PolarHBondContact NH1-O 2.78Å; R1875-A2010 WeakPolarHBondContact CB-O 3.36Å; R1875-A2010 PolarHBondContact N-O 3.44Å; R1875-A2010 WeakPolarHBondContact O-CA 3.18Å; R1875-A2010 PolarHBondContact O-N 3.47Å; R1875-E2016 PolarHBondContact NH1-O 3.28Å; R1875-E2016 PolarHBondContact NH2-O 2.98Å; R1875-P2018 PolarHBondContact NH2-O 2.83Å; R1875-L2020 HydrophobicContact CB-CD1 3.75Å |
| 1876 | F | 94 | Very high | 85.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 144.2 | 158.6 | -53.5 | -31.6 | 0 | 0 | 0 | 110.8 | R1820 L1821 V1823 Q1857 T1859 W1874 F1878 L1913 | R1820-F1876 WeakPolarHBondContact CA-O 3.14Å; L1821-F1876 HydrophobicContact CB-CB 4.22Å; L1821-F1876 HydrophobicContact CD2-CD2 3.77Å; L1821-F1876 HydrophobicContact CD2-CE2 4.34Å; L1821-F1876 PolarHBondContact N-O 3.35Å; L1821-F1876 PolarHBondContact O-N 2.86Å; V1823-F1876 HydrophobicContact CG2-CD2 4.41Å; V1823-F1876 HydrophobicContact CG2-CE2 3.99Å; V1823-F1876 HydrophobicContact CG2-CZ 4.4Å; Q1857-F1876 HydrophobicContact CB-CB 4.43Å; Q1857-F1876 HydrophobicContact CB-CD1 3.62Å; Q1857-F1876 HydrophobicContact CB-CE1 3.95Å; Q1857-F1876 HydrophobicContact CB-CG 4.01Å; T1859-F1876 HydrophobicContact CG2-CE1 3.98Å; T1859-F1876 HydrophobicContact CG2-CZ 3.66Å; W1874-F1876 AromaticContact CD1-CD1 3.62Å; W1874-F1876 AromaticContact CD1-CE1 3.34Å; W1874-F1876 AromaticContact NE1-CD1 3.86Å; W1874-F1876 AromaticContact NE1-CE1 3.56Å; F1876-F1878 HydrophobicContact CB-CD2 4.32Å; F1876-F1878 HydrophobicContact CB-CE1 4.36Å; F1876-F1878 HydrophobicContact CB-CE2 3.52Å; F1876-F1878 HydrophobicContact CB-CZ 3.54Å; F1876-F1878 HydrophobicContact CD2-CE2 4.13Å; F1876-F1878 AromaticContact CD2-CZ 3.91Å; F1876-F1878 HydrophobicContact CD2-CZ 3.91Å; F1876-F1878 HydrophobicContact CG-CE2 4.25Å; F1876-F1878 AromaticContact CG-CZ 3.96Å; F1876-F1878 HydrophobicContact CG-CZ 3.96Å; F1876-L1913 HydrophobicContact CD2-CD2 4.47Å; F1876-L1913 HydrophobicContact CE2-CD2 4.2Å |
| 1877 | V | 90.3 | Very high | 85.1 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 11% | 0.109 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 108.3 | -179.2 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | I1818 Q1857 R1875 P1879 K2009 | I1818-V1877 HydrophobicContact CG2-CG1 3.46Å; I1818-V1877 VanDerWaalsContact CG2-CG1 3.46Å; Q1857-V1877 PolarHBondContact NE2-O 2.85Å; Q1857-V1877 VanDerWaalsContact OE1-N 3.11Å; R1875-V1877 HydrophobicContact CG-CG2 4.05Å; V1877-P1879 WeakPolarHBondContact O-CD 3.15Å; V1877-K2009 HydrophobicContact CB-CG 4.13Å; V1877-K2009 HydrophobicContact CG2-CG 4.2Å |
| 1878 | F | 91.3 | Very high | 85.2 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 101.8 | -178.3 | -54.7 | -67.4 | 0 | 0 | 0 | 110.1 | I1818 L1819 G1848 L1850 D1855 Q1857 F1876 F1880 L1911 | I1818-F1878 WeakPolarHBondContact CA-O 3.25Å; L1819-F1878 HydrophobicContact CB-CB 4.35Å; L1819-F1878 HydrophobicContact CD2-CD2 4.23Å; L1819-F1878 HydrophobicContact CG-CD2 4.45Å; L1819-F1878 PolarHBondContact N-O 2.87Å; L1819-F1878 PolarHBondContact O-N 2.99Å; G1848-F1878 WeakPolarHBondContact O-CE1 3.47Å; G1848-F1878 VanDerWaalsContact O-CZ 3.3Å; G1848-F1878 WeakPolarHBondContact O-CZ 3.09Å; L1850-F1878 HydrophobicContact CD1-CB 3.74Å; L1850-F1878 HydrophobicContact CD1-CG 4.45Å; L1850-F1878 HydrophobicContact CG-CB 4.22Å; L1850-F1878 HydrophobicContact CG-CG 4.41Å; D1855-F1878 WeakPolarHBondContact O-CE1 3.1Å; Q1857-F1878 HydrophobicContact CB-CE1 4.12Å; Q1857-F1878 HydrophobicContact CB-CZ 4.31Å; Q1857-F1878 HydrophobicContact CG-CE1 3.83Å; Q1857-F1878 HydrophobicContact CG-CZ 4.46Å; F1876-F1878 HydrophobicContact CB-CD2 4.32Å; F1876-F1878 HydrophobicContact CB-CE1 4.36Å; F1876-F1878 HydrophobicContact CB-CE2 3.52Å; F1876-F1878 HydrophobicContact CB-CZ 3.54Å; F1876-F1878 HydrophobicContact CD2-CE2 4.13Å; F1876-F1878 AromaticContact CD2-CZ 3.91Å; F1876-F1878 HydrophobicContact CD2-CZ 3.91Å; F1876-F1878 HydrophobicContact CG-CE2 4.25Å; F1876-F1878 AromaticContact CG-CZ 3.96Å; F1876-F1878 HydrophobicContact CG-CZ 3.96Å; F1878-F1880 WeakPolarHBondContact O-CD1 3.14Å; F1878-L1911 HydrophobicContact CD2-CD1 4.43Å; F1878-L1911 HydrophobicContact CE2-CD1 4.07Å |
| 1879 | P | 88.1 | Confident | 85.3 | Confident | 76 Ų | 76 | 25.3 Ų | 25.3 | 49% | 0.494 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.9 | 168.3 | 30 | -31.8 | 0 | 0 | 0 | 110.5 | Y1817 I1818 V1877 | Y1817-P1879 CarbonylContact O-C 3.47Å; Y1817-P1879 WeakPolarHBondContact O-CA 3.3Å; I1818-P1879 HydrophobicContact CG1-CB 4.07Å; V1877-P1879 WeakPolarHBondContact O-CD 3.15Å |
| 1880 | F | 88.4 | Confident | 85 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 155 | 177.5 | 67.5 | -78.2 | 0 | 0 | 0 | 111.6 | Y1817 L1819 L1850 L1853 F1878 Y1882 I1889 F1965 L1996 | Y1817-F1880 PolarHBondContact N-O 2.82Å; Y1817-F1880 PolarHBondContact O-N 2.77Å; L1819-F1880 HydrophobicContact CB-CE1 3.84Å; L1850-F1880 HydrophobicContact CD1-CB 4.22Å; L1850-F1880 HydrophobicContact CD1-CD1 3.64Å; L1850-F1880 HydrophobicContact CD1-CE1 4.11Å; L1850-F1880 HydrophobicContact CD1-CG 3.95Å; L1853-F1880 HydrophobicContact CD1-CB 3.79Å; F1878-F1880 WeakPolarHBondContact O-CD1 3.14Å; F1880-Y1882 HydrophobicContact CE2-CD2 4.4Å; F1880-Y1882 HydrophobicContact CE2-CG 4.19Å; F1880-I1889 HydrophobicContact CB-CG2 4.19Å; F1880-I1889 HydrophobicContact CD2-CB 4.46Å; F1880-I1889 HydrophobicContact CD2-CD1 3.6Å; F1880-I1889 HydrophobicContact CD2-CG1 3.69Å; F1880-I1889 HydrophobicContact CD2-CG2 4.17Å; F1880-I1889 HydrophobicContact CE2-CD1 3.95Å; F1880-I1889 HydrophobicContact CE2-CG1 4.01Å; F1880-I1889 HydrophobicContact CG-CD1 4.23Å; F1880-F1965 HydrophobicContact CE2-CE1 4.07Å; F1880-F1965 HydrophobicContact CE2-CZ 4.09Å; F1880-F1965 HydrophobicContact CZ-CE1 4.04Å; F1880-F1965 HydrophobicContact CZ-CZ 4.2Å; F1880-L1996 HydrophobicContact CE1-CD1 3.69Å; F1880-L1996 HydrophobicContact CZ-CD1 3.6Å |
| 1881 | F | 86.3 | Confident | 84.6 | Confident | 61 Ų | 61 | 23.7 Ų | 23.7 | 27% | 0.268 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.8 | 170.6 | -59.4 | -96.9 | 0 | 0 | 0 | 109 | P1814 N1815 E1816 I1889 V1890 | P1814-F1881 HydrophobicContact CB-CB 3.95Å; P1814-F1881 HydrophobicContact CG-CB 4.04Å; P1814-F1881 HydrophobicContact CG-CD1 4.41Å; N1815-F1881 CarbonylContact O-C 3.46Å; N1815-F1881 WeakPolarHBondContact O-CA 3.36Å; E1816-F1881 VanDerWaalsContact CD-CE1 3.5Å; E1816-F1881 HydrophobicContact CG-CD1 3.42Å; E1816-F1881 VanDerWaalsContact CG-CD1 3.42Å; E1816-F1881 HydrophobicContact CG-CE1 3.14Å; E1816-F1881 HydrophobicContact CG-CG 4.34Å; E1816-F1881 HydrophobicContact CG-CZ 3.88Å; F1881-I1889 CarbonylContact O-C 3.5Å; F1881-I1889 VanDerWaalsContact O-CA 3.23Å; F1881-I1889 WeakPolarHBondContact O-CA 3.07Å; F1881-I1889 WeakPolarHBondContact O-CG2 2.92Å; F1881-V1890 HydrophobicContact CB-CB 4.14Å; F1881-V1890 WeakPolarHBondContact CB-O 3.43Å; F1881-V1890 PolarHBondContact O-N 3.44Å |
| 1882 | Y | 84.1 | Confident | 84 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.4 | -178.5 | 178.3 | -110.6 | 0 | 0 | 0 | 111 | N1815 Y1817 F1880 P1884 N1887 N1888 I1889 P1909 F1965 | N1815-Y1882 PolarHBondContact N-O 2.86Å; N1815-Y1882 PolarHBondContact O-N 2.92Å; Y1817-Y1882 HydrophobicContact CD2-CD1 4.37Å; Y1817-Y1882 HydrophobicContact CE2-CD1 4.05Å; F1880-Y1882 HydrophobicContact CE2-CD2 4.4Å; F1880-Y1882 HydrophobicContact CE2-CG 4.19Å; Y1882-P1884 HydrophobicContact CD1-CB 4.37Å; Y1882-P1884 HydrophobicContact CD1-CG 3.9Å; Y1882-P1884 VanDerWaalsContact CE1-CA 3.49Å; Y1882-P1884 HydrophobicContact CE1-CB 3.9Å; Y1882-P1884 HydrophobicContact CE1-CG 3.94Å; Y1882-P1884 WeakPolarHBondContact O-CD 3.32Å; Y1882-N1887 WeakPolarHBondContact OH-CA 3.11Å; Y1882-N1887 PolarHBondContact OH-OD1 2.81Å; Y1882-N1888 WeakPolarHBondContact CD2-O 3.33Å; Y1882-I1889 HydrophobicContact CD2-CG1 4.27Å; Y1882-P1909 HydrophobicContact CE2-CB 4.28Å; Y1882-P1909 HydrophobicContact CE2-CG 3.97Å; Y1882-F1965 AromaticContact CD1-CD1 3.52Å; Y1882-F1965 HydrophobicContact CD1-CD1 3.52Å; Y1882-F1965 AromaticContact CD1-CE1 3.22Å; Y1882-F1965 HydrophobicContact CD1-CE1 3.22Å; Y1882-F1965 HydrophobicContact CD1-CG 4.37Å; Y1882-F1965 AromaticContact CD1-CZ 3.85Å; Y1882-F1965 HydrophobicContact CD1-CZ 3.85Å; Y1882-F1965 AromaticContact CD2-CE1 3.89Å; Y1882-F1965 HydrophobicContact CD2-CE1 3.89Å; Y1882-F1965 HydrophobicContact CD2-CE2 4.43Å; Y1882-F1965 AromaticContact CD2-CZ 3.68Å; Y1882-F1965 HydrophobicContact CD2-CZ 3.68Å; Y1882-F1965 HydrophobicContact CE1-CB 4.48Å; Y1882-F1965 AromaticContact CE1-CD1 3.27Å; Y1882-F1965 HydrophobicContact CE1-CD1 3.27Å; Y1882-F1965 HydrophobicContact CE1-CD2 4.02Å; Y1882-F1965 AromaticContact CE1-CE1 3.3Å; Y1882-F1965 HydrophobicContact CE1-CE1 3.3Å; Y1882-F1965 HydrophobicContact CE1-CE2 4.02Å; Y1882-F1965 AromaticContact CE1-CG 3.67Å; Y1882-F1965 HydrophobicContact CE1-CG 3.67Å; Y1882-F1965 AromaticContact CE1-CZ 3.69Å; Y1882-F1965 HydrophobicContact CE1-CZ 3.69Å; Y1882-F1965 AromaticContact CE2-CE1 3.98Å; Y1882-F1965 HydrophobicContact CE2-CE1 3.98Å; Y1882-F1965 AromaticContact CE2-CE2 3.83Å; Y1882-F1965 HydrophobicContact CE2-CE2 3.83Å; Y1882-F1965 AromaticContact CE2-CZ 3.53Å; Y1882-F1965 HydrophobicContact CE2-CZ 3.53Å; Y1882-F1965 HydrophobicContact CG-CD1 4.29Å; Y1882-F1965 AromaticContact CG-CE1 3.53Å; Y1882-F1965 HydrophobicContact CG-CE1 3.53Å; Y1882-F1965 AromaticContact CG-CZ 3.83Å; Y1882-F1965 HydrophobicContact CG-CZ 3.83Å; Y1882-F1965 AromaticContact CZ-CD1 3.89Å; Y1882-F1965 AromaticContact CZ-CD2 3.82Å; Y1882-F1965 AromaticContact CZ-CE1 3.69Å; Y1882-F1965 AromaticContact CZ-CE2 3.59Å; Y1882-F1965 AromaticContact CZ-CG 3.97Å; Y1882-F1965 AromaticContact CZ-CZ 3.52Å |
| 1883 | L | 81.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 96.2 | -179.1 | -151.6 | 144.2 | 0 | 0 | 0 | 108.4 | R1812 P1814 A1885 E1886 N1887 N1888 V1890 | R1812-L1883 HydrophobicContact CB-CD1 4.03Å; R1812-L1883 HydrophobicContact CB-CD2 3.98Å; R1812-L1883 HydrophobicContact CB-CG 4.34Å; R1812-L1883 WeakPolarHBondContact O-CD1 3.39Å; P1814-L1883 HydrophobicContact CB-CB 4.21Å; P1814-L1883 HydrophobicContact CB-CD1 4.15Å; P1814-L1883 HydrophobicContact CB-CG 4.49Å; L1883-A1885 HydrophobicContact CD2-CB 4.28Å; L1883-A1885 PolarHBondContact O-N 2.95Å; L1883-E1886 HydrophobicContact CD2-CB 3.9Å; L1883-E1886 HydrophobicContact CD2-CG 3.69Å; L1883-E1886 PolarHBondContact O-N 3.19Å; L1883-N1887 PolarHBondContact O-N 2.92Å; L1883-N1887 VanDerWaalsContact O-N 3.11Å; L1883-N1888 PolarHBondContact N-O 3.06Å; L1883-V1890 HydrophobicContact CB-CG2 4.22Å; L1883-V1890 HydrophobicContact CD1-CG2 4.26Å |
| 1884 | P | 72.3 | Confident | 81.9 | Confident | 69 Ų | 69 | 35.7 Ų | 35.7 | 45% | 0.448 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -30.5 | -168.6 | -23.6 | 34.2 | 0 | 0 | 0 | 114.2 | Y1882 E1886 | Y1882-P1884 HydrophobicContact CD1-CB 4.37Å; Y1882-P1884 HydrophobicContact CD1-CG 3.9Å; Y1882-P1884 VanDerWaalsContact CE1-CA 3.49Å; Y1882-P1884 HydrophobicContact CE1-CB 3.9Å; Y1882-P1884 HydrophobicContact CE1-CG 3.94Å; Y1882-P1884 WeakPolarHBondContact O-CD 3.32Å; P1884-E1886 VanDerWaalsContact C-N 3.27Å; P1884-E1886 PolarHBondContact O-N 3.21Å |
| 1885 | A | 71.2 | Confident | 80.3 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1491 L1883 | L1491-A1885 HydrophobicContact CD1-CB 4.17Å; L1491-A1885 HydrophobicContact CD2-CB 3.62Å; L1491-A1885 HydrophobicContact CG-CB 4.03Å; L1883-A1885 HydrophobicContact CD2-CB 4.28Å; L1883-A1885 PolarHBondContact O-N 2.95Å |
| 1886 | E | 74.8 | Confident | 78.7 | Confident | 21 Ų | 21 | 42 Ų | 42 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -2.4 | -179.7 | -66.9 | 178.2 | -158.8 | 0 | 0 | 113 | K1489 L1883 P1884 N1888 R1906 | K1489-E1886 HydrophobicContact CD-CG 4.4Å; K1489-E1886 HydrophobicContact CG-CG 4.37Å; L1883-E1886 HydrophobicContact CD2-CB 3.9Å; L1883-E1886 HydrophobicContact CD2-CG 3.69Å; L1883-E1886 PolarHBondContact O-N 3.19Å; P1884-E1886 VanDerWaalsContact C-N 3.27Å; P1884-E1886 PolarHBondContact O-N 3.21Å; E1886-N1888 VanDerWaalsContact C-N 3.29Å; E1886-N1888 PolarHBondContact O-N 3.17Å; E1886-N1888 PolarHBondContact O-ND2 2.77Å; E1886-R1906 VanDerWaalsContact CD-NH1 3.31Å; E1886-R1906 IonicContact OE1-NH1 2.8Å; E1886-R1906 PolarHBondContact OE1-NH1 3.12Å; E1886-R1906 VanDerWaalsContact OE1-NH1 3.15Å; E1886-R1906 IonicContact OE2-CZ 2.8Å; E1886-R1906 IonicContact OE2-NH1 3.47Å; E1886-R1906 PolarHBondContact OE2-NH1 3.24Å |
| 1887 | N | 76.8 | Confident | 77 | Confident | 62 Ų | 62 | 50.6 Ų | 50.6 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 40.3 | -178.4 | -167.6 | 18.5 | 0 | 0 | 0 | 113.9 | Y1882 L1883 P1909 S1935 | Y1882-N1887 WeakPolarHBondContact OH-CA 3.11Å; Y1882-N1887 PolarHBondContact OH-OD1 2.81Å; L1883-N1887 PolarHBondContact O-N 2.92Å; L1883-N1887 VanDerWaalsContact O-N 3.11Å; N1887-P1909 WeakPolarHBondContact O-CD 3.31Å; N1887-S1935 VanDerWaalsContact CG-OG 3.25Å; N1887-S1935 PolarHBondContact ND2-OG 2.94Å; N1887-S1935 WeakPolarHBondContact OD1-CB 3.48Å; N1887-S1935 PolarHBondContact OD1-OG 2.99Å |
| 1888 | N | 82 | Confident | 75.2 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.5 | -178.2 | -69.5 | -35.8 | 0 | 0 | 0 | 112 | Y1882 L1883 E1886 R1906 V1907 | Y1882-N1888 WeakPolarHBondContact CD2-O 3.33Å; L1883-N1888 PolarHBondContact N-O 3.06Å; E1886-N1888 VanDerWaalsContact C-N 3.29Å; E1886-N1888 PolarHBondContact O-N 3.17Å; E1886-N1888 PolarHBondContact O-ND2 2.77Å; N1888-R1906 HydrophobicContact CB-CB 4.22Å; N1888-V1907 CarbonylContact C-O 3.2Å; N1888-V1907 WeakPolarHBondContact CA-O 3.01Å |
| 1889 | I | 82.5 | Confident | 73.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 133.2 | 161.9 | -63.1 | -171.5 | 0 | 0 | 0 | 108.4 | L1850 F1880 F1881 Y1882 I1891 R1906 V1907 P1909 | L1850-I1889 HydrophobicContact CD1-CD1 4.32Å; F1880-I1889 HydrophobicContact CB-CG2 4.19Å; F1880-I1889 HydrophobicContact CD2-CB 4.46Å; F1880-I1889 HydrophobicContact CD2-CD1 3.6Å; F1880-I1889 HydrophobicContact CD2-CG1 3.69Å; F1880-I1889 HydrophobicContact CD2-CG2 4.17Å; F1880-I1889 HydrophobicContact CE2-CD1 3.95Å; F1880-I1889 HydrophobicContact CE2-CG1 4.01Å; F1880-I1889 HydrophobicContact CG-CD1 4.23Å; F1881-I1889 CarbonylContact O-C 3.5Å; F1881-I1889 VanDerWaalsContact O-CA 3.23Å; F1881-I1889 WeakPolarHBondContact O-CA 3.07Å; F1881-I1889 WeakPolarHBondContact O-CG2 2.92Å; Y1882-I1889 HydrophobicContact CD2-CG1 4.27Å; I1889-I1891 HydrophobicContact CG2-CG1 3.99Å; I1889-R1906 CarbonylContact O-C 3.47Å; I1889-R1906 WeakPolarHBondContact O-CA 3.44Å; I1889-V1907 PolarHBondContact N-O 3.36Å; I1889-V1907 PolarHBondContact O-N 2.82Å; I1889-P1909 HydrophobicContact CD1-CB 3.82Å; I1889-P1909 HydrophobicContact CG1-CB 3.71Å |
| 1890 | V | 80.3 | Confident | 72 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.2 | 173 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | P1814 F1881 L1883 E1904 R1906 | P1814-V1890 HydrophobicContact CB-CB 3.96Å; P1814-V1890 HydrophobicContact CB-CG2 3.65Å; P1814-V1890 HydrophobicContact CG-CB 3.89Å; P1814-V1890 HydrophobicContact CG-CG1 4.11Å; P1814-V1890 HydrophobicContact CG-CG2 3.9Å; F1881-V1890 HydrophobicContact CB-CB 4.14Å; F1881-V1890 WeakPolarHBondContact CB-O 3.43Å; F1881-V1890 PolarHBondContact O-N 3.44Å; L1883-V1890 HydrophobicContact CB-CG2 4.22Å; L1883-V1890 HydrophobicContact CD1-CG2 4.26Å; V1890-E1904 HydrophobicContact CG1-CB 4.27Å; V1890-R1906 HydrophobicContact CG2-CG 4.42Å |
| 1891 | I | 76.8 | Confident | 71.1 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.5 | -177.3 | -55.7 | 171.1 | 0 | 0 | 0 | 107.2 | G1852 I1889 E1904 Q1905 V1907 | G1852-I1891 WeakPolarHBondContact O-CD1 3.26Å; I1889-I1891 HydrophobicContact CG2-CG1 3.99Å; I1891-E1904 CarbonylContact O-C 3.53Å; I1891-E1904 WeakPolarHBondContact O-CA 3.36Å; I1891-Q1905 HydrophobicContact CB-CB 4.45Å; I1891-Q1905 PolarHBondContact N-O 3.12Å; I1891-Q1905 PolarHBondContact O-N 3.32Å; I1891-V1907 HydrophobicContact CD1-CB 4.32Å; I1891-V1907 HydrophobicContact CD1-CG2 3.55Å |
| 1892 | K | 76.7 | Confident | 70.3 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 113.7 | 175.7 | -54.5 | -161 | -173.3 | -139.1 | 0 | 108.7 | V1902 T1903 E1904 | K1892-V1902 HydrophobicContact CB-CG1 3.76Å; K1892-T1903 WeakPolarHBondContact CA-O 3.46Å; K1892-E1904 WeakPolarHBondContact CE-OE1 3.29Å; K1892-E1904 HydrophobicContact CG-CG 4.26Å; K1892-E1904 IonicContact NZ-OE1 2.66Å; K1892-E1904 PolarHBondContact NZ-OE1 3.16Å |
| 1893 | R | 73.9 | Confident | 69.6 | Low | 103 Ų | 103 | 68.6 Ų | 68.6 | 39% | 0.389 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154.4 | -178.9 | 69.1 | 178.4 | -175.8 | -175.1 | 0.2 | 112.9 | V1902 T1903 | R1893-V1902 CarbonylContact O-C 3.52Å; R1893-V1902 WeakPolarHBondContact O-CA 3.34Å; R1893-T1903 PolarHBondContact N-O 3.27Å; R1893-T1903 PolarHBondContact O-N 3.1Å; R1893-T1903 PolarHBondContact O-OG1 3.41Å |
| 1894 | K | 63.4 | Low | 69.3 | Low | 109 Ų | 109 | 73.3 Ų | 73.3 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | trans | -87.9 | 124.6 | 163.2 | -73.9 | -171.2 | 167.5 | -139.6 | 0 | 107.6 | H1896 S1899 M1900 V1902 | K1894-H1896 PolarHBondContact O-N 3.07Å; K1894-S1899 VanDerWaalsContact CA-OG 3.3Å; K1894-S1899 WeakPolarHBondContact CA-OG 3.26Å; K1894-S1899 WeakPolarHBondContact CB-OG 3.06Å; K1894-S1899 WeakPolarHBondContact CD-O 3.47Å; K1894-S1899 WeakPolarHBondContact CE-O 3.34Å; K1894-S1899 PolarHBondContact NZ-O 3.49Å; K1894-M1900 WeakPolarHBondContact CE-O 3.45Å; K1894-M1900 PolarHBondContact NZ-O 3.16Å; K1894-V1902 HydrophobicContact CG-CG2 3.98Å | ||
| 1895 | E | 58.7 | Low | 69.5 | Low | 74 Ų | 74 | 74.2 Ų | 74.2 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -59 | -37.4 | -175.8 | -72.5 | -161.8 | 143.5 | 0 | 0 | 112.3 | S1899 | E1895-S1899 PolarHBondContact N-OG 3.42Š|
| 1896 | H | 59.7 | Low | 69.9 | Low | 102 Ų | 102 | 77.9 Ų | 77.9 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -141.9 | 163.9 | 175.9 | -51.4 | -49.6 | 0 | 0 | 0 | 110.3 | K1894 W1898 S1899 | K1894-H1896 PolarHBondContact O-N 3.07Å; H1896-W1898 PolarHBondContact O-N 3.43Å; H1896-S1899 PolarHBondContact O-N 3.4Å; H1896-S1899 PolarHBondContact O-OG 3.49Å |
| 1897 | F | 57.6 | Low | 70.1 | Confident | 181 Ų | 181 | 78.7 Ų | 78.7 | 79% | 0.794 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.9 | -177.9 | -167.4 | -96.1 | 0 | 0 | 0 | 113.9 | ||
| 1898 | W | 52.4 | Low | 70.4 | Confident | 225 Ų | 225 | 84.1 Ų | 84.1 | 85% | 0.852 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -3.1 | 179.5 | -52.9 | 109.4 | 0 | 0 | 0 | 114.7 | H1896 M1900 | H1896-W1898 PolarHBondContact O-N 3.43Å; W1898-M1900 PolarHBondContact O-N 3.31Å |
| 1899 | S | 51.7 | Low | 70.5 | Confident | 32 Ų | 32 | 82.4 Ų | 82.4 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | trans | -67.5 | 127.1 | 177.6 | 87.4 | 0 | 0 | 0 | 0 | 109.5 | K1894 E1895 H1896 D1901 | K1894-S1899 VanDerWaalsContact CA-OG 3.3Å; K1894-S1899 WeakPolarHBondContact CA-OG 3.26Å; K1894-S1899 WeakPolarHBondContact CB-OG 3.06Å; K1894-S1899 WeakPolarHBondContact CD-O 3.47Å; K1894-S1899 WeakPolarHBondContact CE-O 3.34Å; K1894-S1899 PolarHBondContact NZ-O 3.49Å; E1895-S1899 PolarHBondContact N-OG 3.42Å; H1896-S1899 PolarHBondContact O-N 3.4Å; H1896-S1899 PolarHBondContact O-OG 3.49Å; S1899-D1901 PolarHBondContact OG-O 2.95Å | ||
| 1900 | M | 60.4 | Low | 70.8 | Confident | 151 Ų | 151 | 85.4 Ų | 85.4 | 74% | 0.744 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -69.5 | -42.8 | 176.9 | -75.4 | -175.6 | 49.8 | 0 | 0 | 110.2 | K1894 W1898 | K1894-M1900 WeakPolarHBondContact CE-O 3.45Å; K1894-M1900 PolarHBondContact NZ-O 3.16Å; W1898-M1900 PolarHBondContact O-N 3.31Å |
| 1901 | D | 69.6 | Low | 71.4 | Confident | 48 Ų | 48 | 85.3 Ų | 85.3 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -95.6 | 153.6 | -173.1 | -62 | -38.9 | 0 | 0 | 0 | 113.8 | Y1617 P1619 S1899 | Y1617-D1901 PolarHBondContact OH-OD1 3.46Å; Y1617-D1901 VanDerWaalsContact OH-OD1 3.07Å; Y1617-D1901 PolarHBondContact OH-OD2 3.09Å; P1619-D1901 HydrophobicContact CB-CB 3.8Å; P1619-D1901 HydrophobicContact CG-CB 3.98Å; S1899-D1901 PolarHBondContact OG-O 2.95Å |
| 1902 | V | 69.9 | Low | 72.2 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 44% | 0.436 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 120 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | K1892 R1893 K1894 | K1892-V1902 HydrophobicContact CB-CG1 3.76Å; R1893-V1902 CarbonylContact O-C 3.52Å; R1893-V1902 WeakPolarHBondContact O-CA 3.34Å; K1894-V1902 HydrophobicContact CG-CG2 3.98Å |
| 1903 | T | 69.8 | Low | 73 | Confident | 24 Ų | 24 | 80.6 Ų | 80.6 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 151.6 | 176.1 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | N1620 K1892 R1893 | N1620-T1903 HydrophobicContact CB-CG2 4.1Å; K1892-T1903 WeakPolarHBondContact CA-O 3.46Å; R1893-T1903 PolarHBondContact N-O 3.27Å; R1893-T1903 PolarHBondContact O-N 3.1Å; R1893-T1903 PolarHBondContact O-OG1 3.41Å |
| 1904 | E | 74.7 | Confident | 74 | Confident | 103 Ų | 103 | 77.5 Ų | 77.5 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.1 | 179.3 | -60.2 | -162.5 | 163.1 | 0 | 0 | 111.2 | V1890 I1891 K1892 | V1890-E1904 HydrophobicContact CG1-CB 4.27Å; I1891-E1904 CarbonylContact O-C 3.53Å; I1891-E1904 WeakPolarHBondContact O-CA 3.36Å; K1892-E1904 WeakPolarHBondContact CE-OE1 3.29Å; K1892-E1904 HydrophobicContact CG-CG 4.26Å; K1892-E1904 IonicContact NZ-OE1 2.66Å; K1892-E1904 PolarHBondContact NZ-OE1 3.16Å |
| 1905 | Q | 76 | Confident | 75.4 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 41% | 0.407 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.8 | 174.6 | -170.1 | 179.3 | 7.8 | 0 | 0 | 110.6 | I1891 V1907 | I1891-Q1905 HydrophobicContact CB-CB 4.45Å; I1891-Q1905 PolarHBondContact N-O 3.12Å; I1891-Q1905 PolarHBondContact O-N 3.32Å; Q1905-V1907 HydrophobicContact CG-CG2 4.07Å |
| 1906 | R | 79.8 | Confident | 76.9 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.2 | 178.4 | -56.8 | -171.3 | -171.8 | 168.7 | 13.3 | 110.5 | E1625 E1886 N1888 I1889 V1890 | E1625-R1906 IonicContact OE2-CZ 2.7Å; E1625-R1906 IonicContact OE2-NH1 2.94Å; E1625-R1906 IonicContact OE2-NH2 2.97Å; E1625-R1906 PolarHBondContact OE2-NH2 3.48Å; E1886-R1906 VanDerWaalsContact CD-NH1 3.31Å; E1886-R1906 IonicContact OE1-NH1 2.8Å; E1886-R1906 PolarHBondContact OE1-NH1 3.12Å; E1886-R1906 VanDerWaalsContact OE1-NH1 3.15Å; E1886-R1906 IonicContact OE2-CZ 2.8Å; E1886-R1906 IonicContact OE2-NH1 3.47Å; E1886-R1906 PolarHBondContact OE2-NH1 3.24Å; N1888-R1906 HydrophobicContact CB-CB 4.22Å; I1889-R1906 CarbonylContact O-C 3.47Å; I1889-R1906 WeakPolarHBondContact O-CA 3.44Å; V1890-R1906 HydrophobicContact CG2-CG 4.42Å |
| 1907 | V | 80.4 | Confident | 78.3 | Confident | 38 Ų | 38 | 66.2 Ų | 66.2 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.8 | -176.3 | -162 | 0 | 0 | 0 | 0 | 110.5 | N1888 I1889 I1891 Q1905 | N1888-V1907 CarbonylContact C-O 3.2Å; N1888-V1907 WeakPolarHBondContact CA-O 3.01Å; I1889-V1907 PolarHBondContact N-O 3.36Å; I1889-V1907 PolarHBondContact O-N 2.82Å; I1891-V1907 HydrophobicContact CD1-CB 4.32Å; I1891-V1907 HydrophobicContact CD1-CG2 3.55Å; Q1905-V1907 HydrophobicContact CG-CG2 4.07Å |
| 1908 | R | 81.7 | Confident | 79.4 | Confident | 177 Ų | 177 | 59 Ų | 59 | 67% | 0.668 | 27% | 0.27 | S | S | * | . | trans | -64.7 | 144.2 | 177.2 | -66.2 | -178.9 | 179.5 | -179.1 | 0.2 | 111.5 | Q1910 | R1908-Q1910 PolarHBondContact O-N 3.41Š| ||
| 1909 | P | 84.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -73.9 | 84.2 | -179.2 | 31.5 | -37.2 | 0 | 0 | 0 | 111.9 | Y1882 N1887 I1889 N1933 L1934 F1965 | Y1882-P1909 HydrophobicContact CE2-CB 4.28Å; Y1882-P1909 HydrophobicContact CE2-CG 3.97Å; N1887-P1909 WeakPolarHBondContact O-CD 3.31Å; I1889-P1909 HydrophobicContact CD1-CB 3.82Å; I1889-P1909 HydrophobicContact CG1-CB 3.71Å; P1909-N1933 PolarHBondContact O-OD1 3.43Å; P1909-L1934 HydrophobicContact CB-CB 4.14Å; P1909-L1934 HydrophobicContact CB-CD1 4.22Å; P1909-L1934 HydrophobicContact CB-CG 4.42Å; P1909-L1934 WeakPolarHBondContact O-CB 3.47Å; P1909-L1934 WeakPolarHBondContact O-CG 3.48Å; P1909-L1934 PolarHBondContact O-N 2.98Å; P1909-F1965 HydrophobicContact CB-CE2 4Å; P1909-F1965 HydrophobicContact CB-CZ 3.95Å; P1909-F1965 HydrophobicContact CG-CE2 3.93Å; P1909-F1965 HydrophobicContact CG-CZ 4.3Å | ||
| 1910 | Q | 89.3 | Confident | 81.4 | Confident | 63 Ų | 63 | 53 Ų | 53 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.1 | -176 | -174.1 | 171.8 | -4.8 | 0 | 0 | 111.2 | L1850 A1851 R1908 E1931 L1932 | L1850-Q1910 CarbonylContact C-O 3.4Å; L1850-Q1910 WeakPolarHBondContact CA-O 3.4Å; A1851-Q1910 HydrophobicContact CB-CB 3.89Å; A1851-Q1910 HydrophobicContact CB-CG 4.49Å; A1851-Q1910 PolarHBondContact N-O 3.3Å; R1908-Q1910 PolarHBondContact O-N 3.41Å; Q1910-E1931 PolarHBondContact NE2-OE2 2.81Å; Q1910-L1932 CarbonylContact C-O 3.53Å; Q1910-L1932 WeakPolarHBondContact CA-O 3.2Å |
| 1911 | L | 92.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129 | 174.3 | 176.4 | 70.5 | 0 | 0 | 0 | 109.8 | L1819 L1821 L1850 F1878 L1913 E1931 L1932 L1934 M1994 | L1819-L1911 HydrophobicContact CD2-CD1 4.1Å; L1819-L1911 HydrophobicContact CD2-CD2 4.34Å; L1821-L1911 HydrophobicContact CD1-CD2 4.47Å; L1821-L1911 HydrophobicContact CD2-CD2 4.49Å; L1850-L1911 HydrophobicContact CD2-CB 4Å; L1850-L1911 HydrophobicContact CD2-CD1 4.1Å; F1878-L1911 HydrophobicContact CD2-CD1 4.43Å; F1878-L1911 HydrophobicContact CE2-CD1 4.07Å; L1911-L1913 HydrophobicContact CD2-CD1 4.08Å; L1911-L1913 HydrophobicContact CD2-CG 4.42Å; L1911-L1913 HydrophobicContact CG-CD1 4.44Å; L1911-L1913 HydrophobicContact CG-CG 4.27Å; L1911-E1931 CarbonylContact O-C 3.52Å; L1911-E1931 WeakPolarHBondContact O-CA 3.47Å; L1911-L1932 PolarHBondContact N-O 2.91Å; L1911-L1932 PolarHBondContact O-N 2.85Å; L1911-L1934 HydrophobicContact CB-CD2 3.88Å; L1911-L1934 HydrophobicContact CD2-CD2 4.5Å; L1911-M1994 HydrophobicContact CD2-SD 3.85Å |
| 1912 | V | 93.3 | Very high | 81.8 | Confident | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.6 | 177.6 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | G1848 W1849 E1931 | G1848-V1912 CarbonylContact C-O 3.42Å; G1848-V1912 VanDerWaalsContact CA-O 3.24Å; G1848-V1912 WeakPolarHBondContact CA-O 3.16Å; W1849-V1912 HydrophobicContact CD2-CB 4.13Å; W1849-V1912 HydrophobicContact CD2-CG1 4.44Å; W1849-V1912 HydrophobicContact CH2-CB 4.45Å; W1849-V1912 HydrophobicContact CH2-CG1 3.73Å; W1849-V1912 HydrophobicContact CZ2-CB 3.9Å; W1849-V1912 HydrophobicContact CZ2-CG1 3.43Å; W1849-V1912 VanDerWaalsContact CZ2-CG1 3.43Å; W1849-V1912 HydrophobicContact CZ3-CG1 4.34Å; W1849-V1912 PolarHBondContact N-O 3.08Å; W1849-V1912 PolarHBondContact O-N 2.44Å; V1912-E1931 HydrophobicContact CG1-CG 4.26Å; V1912-E1931 HydrophobicContact CG2-CG 4.26Å |
| 1913 | L | 95.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.3 | 177.7 | -66.8 | 165.1 | 0 | 0 | 0 | 109.8 | L1821 V1846 K1847 F1876 L1911 T1929 L1930 F1976 M1992 | L1821-L1913 HydrophobicContact CD2-CD1 3.96Å; L1821-L1913 HydrophobicContact CD2-CD2 3.51Å; L1821-L1913 HydrophobicContact CD2-CG 4.34Å; V1846-L1913 HydrophobicContact CG1-CD2 4.47Å; K1847-L1913 CarbonylContact O-C 3.54Å; K1847-L1913 VanDerWaalsContact O-CA 3.29Å; K1847-L1913 WeakPolarHBondContact O-CA 3.24Å; F1876-L1913 HydrophobicContact CD2-CD2 4.47Å; F1876-L1913 HydrophobicContact CE2-CD2 4.2Å; L1911-L1913 HydrophobicContact CD2-CD1 4.08Å; L1911-L1913 HydrophobicContact CD2-CG 4.42Å; L1911-L1913 HydrophobicContact CG-CD1 4.44Å; L1911-L1913 HydrophobicContact CG-CG 4.27Å; L1913-T1929 CarbonylContact O-C 3.54Å; L1913-T1929 WeakPolarHBondContact O-CA 3.42Å; L1913-T1929 PolarHBondContact O-OG1 3.13Å; L1913-L1930 HydrophobicContact CB-CB 4.31Å; L1913-L1930 HydrophobicContact CD1-CD2 4.16Å; L1913-L1930 PolarHBondContact N-O 2.75Å; L1913-L1930 PolarHBondContact O-N 2.97Å; L1913-F1976 HydrophobicContact CB-CE1 4.01Å; L1913-F1976 HydrophobicContact CB-CZ 4.41Å; L1913-M1992 HydrophobicContact CD1-CE 3.74Å; L1913-M1992 HydrophobicContact CD1-SD 3.35Å; L1913-M1992 WeakPolarHBondContact CD1-SD 3.33Å |
| 1914 | Q | 93.6 | Very high | 82.7 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 143.5 | 179 | -62.8 | -178.4 | -27 | 0 | 0 | 111.4 | V1846 K1847 W1849 W1916 F1926 G1928 | V1846-Q1914 CarbonylContact C-O 3.42Å; V1846-Q1914 VanDerWaalsContact CA-O 3.25Å; V1846-Q1914 WeakPolarHBondContact CA-O 3.49Å; V1846-Q1914 WeakPolarHBondContact CG1-O 3.27Å; K1847-Q1914 HydrophobicContact CB-CB 4.48Å; K1847-Q1914 PolarHBondContact N-O 2.72Å; K1847-Q1914 PolarHBondContact O-N 3.07Å; W1849-Q1914 VanDerWaalsContact CH2-CD 3.5Å; W1849-Q1914 HydrophobicContact CH2-CG 4.03Å; W1849-Q1914 HydrophobicContact CZ3-CG 4.22Å; Q1914-W1916 VanDerWaalsContact CB-NE1 3.3Å; Q1914-W1916 VanDerWaalsContact OE1-NE1 3.16Å; Q1914-F1926 HydrophobicContact CB-CE2 4.24Å; Q1914-F1926 HydrophobicContact CG-CE2 4.13Å; Q1914-G1928 CarbonylContact C-O 3.41Å; Q1914-G1928 VanDerWaalsContact CA-O 3.23Å; Q1914-G1928 WeakPolarHBondContact CA-O 3.46Å |
| 1915 | V | 92.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.1 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 110.1 | V1829 I1844 Y1845 V1846 I1927 G1928 F1976 | V1829-V1915 HydrophobicContact CG1-CG2 4.13Å; V1829-V1915 HydrophobicContact CG2-CG2 4.44Å; I1844-V1915 HydrophobicContact CG2-CG2 3.63Å; Y1845-V1915 WeakPolarHBondContact O-CA 3.43Å; V1846-V1915 HydrophobicContact CG2-CB 4.46Å; V1846-V1915 HydrophobicContact CG2-CG2 4.46Å; V1915-I1927 HydrophobicContact CG1-CB 3.99Å; V1915-I1927 HydrophobicContact CG1-CG2 4.14Å; V1915-I1927 HydrophobicContact CG2-CD1 4.42Å; V1915-I1927 WeakPolarHBondContact O-CB 3.12Å; V1915-I1927 PolarHBondContact O-N 3.33Å; V1915-G1928 PolarHBondContact N-O 2.97Å; V1915-G1928 PolarHBondContact O-N 3.49Å; V1915-F1976 HydrophobicContact CB-CD2 3.87Å; V1915-F1976 HydrophobicContact CB-CE1 4.44Å; V1915-F1976 HydrophobicContact CB-CE2 3.63Å; V1915-F1976 HydrophobicContact CB-CG 4.35Å; V1915-F1976 HydrophobicContact CB-CZ 3.96Å; V1915-F1976 HydrophobicContact CG1-CB 4.01Å; V1915-F1976 HydrophobicContact CG1-CD1 4.03Å; V1915-F1976 HydrophobicContact CG1-CD2 3.44Å; V1915-F1976 VanDerWaalsContact CG1-CD2 3.44Å; V1915-F1976 HydrophobicContact CG1-CE1 4.35Å; V1915-F1976 HydrophobicContact CG1-CE2 3.77Å; V1915-F1976 HydrophobicContact CG1-CG 3.58Å; V1915-F1976 HydrophobicContact CG1-CZ 4.22Å; V1915-F1976 HydrophobicContact CG2-CE2 4.43Å |
| 1916 | W | 91.3 | Very high | 83.7 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.5 | -170.5 | -68.2 | 77.2 | 0 | 0 | 0 | 110.9 | I1844 Y1845 Q1914 D1924 D1925 F1926 | I1844-W1916 WeakPolarHBondContact CA-O 3.01Å; Y1845-W1916 HydrophobicContact CD1-CB 3.85Å; Y1845-W1916 HydrophobicContact CE1-CB 3.34Å; Y1845-W1916 HydrophobicContact CE1-CG 4.28Å; Y1845-W1916 HydrophobicContact CE2-CB 4.13Å; Y1845-W1916 HydrophobicContact CE2-CG 4.4Å; Y1845-W1916 HydrophobicContact CG-CB 4.46Å; Y1845-W1916 VanDerWaalsContact CZ-CB 3.49Å; Y1845-W1916 AromaticContact CZ-CG 3.95Å; Y1845-W1916 PolarHBondContact N-O 3.44Å; Y1845-W1916 PolarHBondContact O-N 3.13Å; Q1914-W1916 VanDerWaalsContact CB-NE1 3.3Å; Q1914-W1916 VanDerWaalsContact OE1-NE1 3.16Å; W1916-D1924 HydrophobicContact CE3-CB 3.93Å; W1916-D1924 VanDerWaalsContact CE3-O 3.29Å; W1916-D1924 WeakPolarHBondContact CZ3-O 3.28Å; W1916-D1925 CarbonylContact C-O 3.17Å; W1916-D1925 VanDerWaalsContact CA-O 3.26Å; W1916-D1925 WeakPolarHBondContact CA-O 3.34Å; W1916-F1926 HydrophobicContact CD2-CB 4.37Å; W1916-F1926 HydrophobicContact CD2-CD2 4.46Å; W1916-F1926 AromaticContact CE2-CD2 3.91Å; W1916-F1926 HydrophobicContact CE3-CB 4.05Å; W1916-F1926 HydrophobicContact CH2-CB 3.87Å; W1916-F1926 HydrophobicContact CH2-CD2 4.4Å; W1916-F1926 HydrophobicContact CZ2-CB 4.2Å; W1916-F1926 AromaticContact CZ2-CD2 3.89Å; W1916-F1926 HydrophobicContact CZ2-CD2 3.89Å; W1916-F1926 HydrophobicContact CZ2-CG 4.48Å; W1916-F1926 HydrophobicContact CZ3-CB 3.79Å |
| 1917 | D | 88.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.1 | 165.5 | -151.8 | -11.6 | 0 | 0 | 0 | 109 | S1842 D1843 D1924 D1925 I1927 | S1842-D1917 WeakPolarHBondContact CA-OD1 3.3Å; S1842-D1917 WeakPolarHBondContact CB-OD1 3.38Å; S1842-D1917 WeakPolarHBondContact CB-OD2 3.28Å; S1842-D1917 PolarHBondContact OG-OD2 3.26Å; D1843-D1917 WeakPolarHBondContact CA-OD1 3.27Å; D1843-D1917 PolarHBondContact N-OD1 3.17Å; D1917-D1924 CarbonylContact O-C 3.47Å; D1917-D1924 WeakPolarHBondContact O-CA 3.47Å; D1917-D1924 WeakPolarHBondContact O-CB 3.16Å; D1917-D1925 HydrophobicContact CB-CB 4.08Å; D1917-D1925 PolarHBondContact N-O 3.39Å; D1917-D1925 PolarHBondContact O-N 3.34Å; D1917-D1925 VanDerWaalsContact O-N 3.1Å; D1917-I1927 HydrophobicContact CB-CD1 4.01Å; D1917-I1927 HydrophobicContact CB-CG1 4.41Å |
| 1918 | N | 81.9 | Confident | 84.3 | Confident | 28 Ų | 28 | 50 Ų | 50 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | trans | -92.7 | 106.7 | -179.9 | 179.1 | -124.6 | 0 | 0 | 0 | 111.2 | D1843 Y1845 V1861 D1924 | D1843-N1918 HydrophobicContact CB-CB 3.99Å; D1843-N1918 WeakPolarHBondContact CB-O 3.17Å; D1843-N1918 WeakPolarHBondContact O-CB 3.36Å; D1843-N1918 PolarHBondContact O-N 3.09Å; Y1845-N1918 HydrophobicContact CD1-CB 3.83Å; Y1845-N1918 HydrophobicContact CE1-CB 3.94Å; V1861-N1918 HydrophobicContact CB-CB 4.49Å; V1861-N1918 HydrophobicContact CG1-CB 3.69Å; V1861-N1918 HydrophobicContact CG2-CB 3.93Å; N1918-D1924 WeakPolarHBondContact CA-OD1 3.31Å; N1918-D1924 PolarHBondContact ND2-OD1 3.26Å | ||
| 1919 | D | 80.3 | Confident | 84.9 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | trans | -93.5 | 132.5 | 178.9 | -83.2 | -3.8 | 0 | 0 | 0 | 110.9 | S1922 D1924 | D1919-S1922 VanDerWaalsContact CB-O 3.3Å; D1919-S1922 WeakPolarHBondContact CB-O 3.39Å; D1919-S1922 VanDerWaalsContact CB-OG 3.27Å; D1919-S1922 WeakPolarHBondContact CB-OG 3.27Å; D1919-S1922 VanDerWaalsContact CG-OG 3.24Å; D1919-S1922 WeakPolarHBondContact OD2-CB 3.25Å; D1919-S1922 PolarHBondContact OD2-OG 2.88Å; D1919-D1924 PolarHBondContact N-OD1 2.97Å | ||
| 1920 | L | 65.8 | Low | 85.3 | Confident | 116 Ų | 116 | 43.4 Ų | 43.4 | 61% | 0.607 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -75.8 | -28.4 | -176.7 | -165.4 | 69.8 | 0 | 0 | 0 | 113.1 | ||
| 1921 | F | 69.1 | Low | 85.4 | Confident | 198 Ų | 198 | 45.5 Ų | 45.5 | 87% | 0.868 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -130.1 | -2 | -173.4 | -58.9 | -69.5 | 0 | 0 | 0 | 114.2 | ||
| 1922 | S | 69.3 | Low | 85.3 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -121.1 | 163.2 | 172.3 | 23.6 | 0 | 0 | 0 | 0 | 109.7 | D1919 D1924 | D1919-S1922 VanDerWaalsContact CB-O 3.3Å; D1919-S1922 WeakPolarHBondContact CB-O 3.39Å; D1919-S1922 VanDerWaalsContact CB-OG 3.27Å; D1919-S1922 WeakPolarHBondContact CB-OG 3.27Å; D1919-S1922 VanDerWaalsContact CG-OG 3.24Å; D1919-S1922 WeakPolarHBondContact OD2-CB 3.25Å; D1919-S1922 PolarHBondContact OD2-OG 2.88Å; S1922-D1924 PolarHBondContact O-N 2.82Å |
| 1923 | P | 76.5 | Confident | 85 | Confident | 112 Ų | 112 | 47.3 Ų | 47.3 | 73% | 0.727 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -57 | 135.6 | 166.5 | -19.1 | 31.7 | 0 | 0 | 0 | 110.1 | D1925 | P1923-D1925 PolarHBondContact O-N 3.32Š|
| 1924 | D | 80.9 | Confident | 84.5 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 132.2 | 175.2 | -66.5 | -17.9 | 0 | 0 | 0 | 111.6 | Y1845 W1916 D1917 N1918 D1919 S1922 | Y1845-D1924 HydrophobicContact CE1-CB 4.24Å; Y1845-D1924 WeakPolarHBondContact CE1-OD2 3.27Å; Y1845-D1924 VanDerWaalsContact CZ-OD2 3.28Å; Y1845-D1924 PolarHBondContact OH-OD2 3.11Å; W1916-D1924 HydrophobicContact CE3-CB 3.93Å; W1916-D1924 VanDerWaalsContact CE3-O 3.29Å; W1916-D1924 WeakPolarHBondContact CZ3-O 3.28Å; D1917-D1924 CarbonylContact O-C 3.47Å; D1917-D1924 WeakPolarHBondContact O-CA 3.47Å; D1917-D1924 WeakPolarHBondContact O-CB 3.16Å; N1918-D1924 WeakPolarHBondContact CA-OD1 3.31Å; N1918-D1924 PolarHBondContact ND2-OD1 3.26Å; D1919-D1924 PolarHBondContact N-OD1 2.97Å; S1922-D1924 PolarHBondContact O-N 2.82Å |
| 1925 | D | 84 | Confident | 83.9 | Confident | 77 Ų | 77 | 46 Ų | 46 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.2 | -179.1 | -78.3 | -28.2 | 0 | 0 | 0 | 111.5 | W1916 D1917 P1923 | W1916-D1925 CarbonylContact C-O 3.17Å; W1916-D1925 VanDerWaalsContact CA-O 3.26Å; W1916-D1925 WeakPolarHBondContact CA-O 3.34Å; D1917-D1925 HydrophobicContact CB-CB 4.08Å; D1917-D1925 PolarHBondContact N-O 3.39Å; D1917-D1925 PolarHBondContact O-N 3.34Å; D1917-D1925 VanDerWaalsContact O-N 3.1Å; P1923-D1925 PolarHBondContact O-N 3.32Å |
| 1926 | F | 87.3 | Confident | 83.4 | Confident | 59 Ų | 59 | 50 Ų | 50 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 123.4 | 176 | 169.4 | -102.7 | 0 | 0 | 0 | 110.3 | Q1914 W1916 G1928 T1929 N1978 | Q1914-F1926 HydrophobicContact CB-CE2 4.24Å; Q1914-F1926 HydrophobicContact CG-CE2 4.13Å; W1916-F1926 HydrophobicContact CD2-CB 4.37Å; W1916-F1926 HydrophobicContact CD2-CD2 4.46Å; W1916-F1926 AromaticContact CE2-CD2 3.91Å; W1916-F1926 HydrophobicContact CE3-CB 4.05Å; W1916-F1926 HydrophobicContact CH2-CB 3.87Å; W1916-F1926 HydrophobicContact CH2-CD2 4.4Å; W1916-F1926 HydrophobicContact CZ2-CB 4.2Å; W1916-F1926 AromaticContact CZ2-CD2 3.89Å; W1916-F1926 HydrophobicContact CZ2-CD2 3.89Å; W1916-F1926 HydrophobicContact CZ2-CG 4.48Å; W1916-F1926 HydrophobicContact CZ3-CB 3.79Å; F1926-G1928 VanDerWaalsContact CE2-O 3.25Å; F1926-G1928 WeakPolarHBondContact CE2-O 3.45Å; F1926-G1928 VanDerWaalsContact CZ-CA 3.42Å; F1926-T1929 HydrophobicContact CZ-CG2 4.26Å; F1926-N1978 HydrophobicContact CE1-CB 4.34Å |
| 1927 | I | 84.4 | Confident | 83.1 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -40.4 | -178.7 | -57.4 | 170.7 | 0 | 0 | 0 | 111.1 | V1829 V1830 V1915 D1917 N1978 T1987 | V1829-I1927 HydrophobicContact CG1-CD1 3.73Å; V1829-I1927 HydrophobicContact CG1-CG2 3.95Å; V1830-I1927 HydrophobicContact CB-CG2 4.39Å; V1915-I1927 HydrophobicContact CG1-CB 3.99Å; V1915-I1927 HydrophobicContact CG1-CG2 4.14Å; V1915-I1927 HydrophobicContact CG2-CD1 4.42Å; V1915-I1927 WeakPolarHBondContact O-CB 3.12Å; V1915-I1927 PolarHBondContact O-N 3.33Å; D1917-I1927 HydrophobicContact CB-CD1 4.01Å; D1917-I1927 HydrophobicContact CB-CG1 4.41Å; I1927-N1978 WeakPolarHBondContact O-CB 3.38Å; I1927-T1987 WeakPolarHBondContact O-CB 2.98Å; I1927-T1987 VanDerWaalsContact O-CG2 3.27Å; I1927-T1987 WeakPolarHBondContact O-CG2 3.49Å; I1927-T1987 PolarHBondContact O-OG1 3.24Å |
| 1928 | G | 89.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | 163.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q1914 V1915 F1926 V1977 T1987 | Q1914-G1928 CarbonylContact C-O 3.41Å; Q1914-G1928 VanDerWaalsContact CA-O 3.23Å; Q1914-G1928 WeakPolarHBondContact CA-O 3.46Å; V1915-G1928 PolarHBondContact N-O 2.97Å; V1915-G1928 PolarHBondContact O-N 3.49Å; F1926-G1928 VanDerWaalsContact CE2-O 3.25Å; F1926-G1928 WeakPolarHBondContact CE2-O 3.45Å; F1926-G1928 VanDerWaalsContact CZ-CA 3.42Å; G1928-V1977 CarbonylContact C-O 3.55Å; G1928-V1977 WeakPolarHBondContact CA-O 3.23Å; G1928-T1987 WeakPolarHBondContact CA-OG1 3.44Å |
| 1929 | T | 93.5 | Very high | 83 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.6 | -177.6 | -167.8 | 0 | 0 | 0 | 0 | 112.4 | L1913 F1926 V1977 | L1913-T1929 CarbonylContact O-C 3.54Å; L1913-T1929 WeakPolarHBondContact O-CA 3.42Å; L1913-T1929 PolarHBondContact O-OG1 3.13Å; F1926-T1929 HydrophobicContact CZ-CG2 4.26Å; T1929-V1977 PolarHBondContact N-O 2.78Å; T1929-V1977 PolarHBondContact O-N 2.79Å |
| 1930 | L | 93.1 | Very high | 83.4 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 120.6 | 176.1 | 168.9 | 63.6 | 0 | 0 | 0 | 108.7 | L1913 L1932 L1952 W1974 F1976 I1990 M1992 | L1913-L1930 HydrophobicContact CB-CB 4.31Å; L1913-L1930 HydrophobicContact CD1-CD2 4.16Å; L1913-L1930 PolarHBondContact N-O 2.75Å; L1913-L1930 PolarHBondContact O-N 2.97Å; L1930-L1932 HydrophobicContact CD1-CD2 3.9Å; L1930-L1932 HydrophobicContact CD1-CG 4Å; L1930-L1932 HydrophobicContact CD2-CD1 4.18Å; L1930-L1932 HydrophobicContact CD2-CG 4.47Å; L1930-L1932 HydrophobicContact CG-CD1 4.32Å; L1930-L1932 HydrophobicContact CG-CG 4.08Å; L1930-L1952 HydrophobicContact CD1-CD1 4.41Å; L1930-L1952 HydrophobicContact CD1-CD2 3.92Å; L1930-W1974 HydrophobicContact CD1-CB 4.34Å; L1930-W1974 HydrophobicContact CD2-CB 3.5Å; L1930-W1974 VanDerWaalsContact CD2-CB 3.5Å; L1930-W1974 HydrophobicContact CD2-CG 4.18Å; L1930-F1976 HydrophobicContact CB-CD1 3.71Å; L1930-F1976 HydrophobicContact CB-CE1 3.8Å; L1930-I1990 HydrophobicContact CD2-CG2 3.91Å; L1930-M1992 HydrophobicContact CD2-CE 3.92Å |
| 1931 | E | 90.8 | Very high | 84.5 | Confident | 107 Ų | 107 | 44 Ų | 44 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.7 | 177.4 | -60.2 | -171.8 | -176.6 | 0 | 0 | 110.7 | Q1910 L1911 V1912 | Q1910-E1931 PolarHBondContact NE2-OE2 2.81Å; L1911-E1931 CarbonylContact O-C 3.52Å; L1911-E1931 WeakPolarHBondContact O-CA 3.47Å; V1912-E1931 HydrophobicContact CG1-CG 4.26Å; V1912-E1931 HydrophobicContact CG2-CG 4.26Å |
| 1932 | L | 90.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 118.9 | -175.8 | -65.3 | 175.9 | 0 | 0 | 0 | 110.8 | Q1910 L1911 L1930 L1934 M1937 P1938 M1992 M1994 | Q1910-L1932 CarbonylContact C-O 3.53Å; Q1910-L1932 WeakPolarHBondContact CA-O 3.2Å; L1911-L1932 PolarHBondContact N-O 2.91Å; L1911-L1932 PolarHBondContact O-N 2.85Å; L1930-L1932 HydrophobicContact CD1-CD2 3.9Å; L1930-L1932 HydrophobicContact CD1-CG 4Å; L1930-L1932 HydrophobicContact CD2-CD1 4.18Å; L1930-L1932 HydrophobicContact CD2-CG 4.47Å; L1930-L1932 HydrophobicContact CG-CD1 4.32Å; L1930-L1932 HydrophobicContact CG-CG 4.08Å; L1932-L1934 PolarHBondContact O-N 3.46Å; L1932-M1937 HydrophobicContact CB-CB 4.36Å; L1932-M1937 HydrophobicContact CD1-CE 4.29Å; L1932-M1937 HydrophobicContact CD2-CB 4.21Å; L1932-P1938 HydrophobicContact CD2-CG 4.09Å; L1932-M1992 HydrophobicContact CD1-CE 3.59Å; L1932-M1994 HydrophobicContact CD1-CE 4.25Å |
| 1933 | N | 87 | Confident | 86 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 111.5 | 167 | -177.2 | -11.5 | 0 | 0 | 0 | 109.1 | P1909 S1935 N1936 M1937 | P1909-N1933 PolarHBondContact O-OD1 3.43Å; N1933-S1935 PolarHBondContact O-N 3.02Å; N1933-S1935 VanDerWaalsContact O-N 3.13Å; N1933-S1935 PolarHBondContact OD1-N 2.88Å; N1933-S1935 PolarHBondContact OD1-OG 3.24Å; N1933-N1936 CarbonylContact O-C 3.49Å; N1933-N1936 PolarHBondContact O-N 3.44Å; N1933-M1937 VanDerWaalsContact O-CB 3.25Å; N1933-M1937 WeakPolarHBondContact O-CB 3.35Å; N1933-M1937 PolarHBondContact O-N 3.36Å; N1933-M1937 VanDerWaalsContact O-N 3.1Å |
| 1934 | L | 85.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.7 | -173.5 | -60.4 | -177.8 | 0 | 0 | 0 | 113.2 | L1819 L1850 P1909 L1911 L1932 L1964 F1965 | L1819-L1934 HydrophobicContact CD2-CD1 4.09Å; L1819-L1934 HydrophobicContact CD2-CD2 4.31Å; L1850-L1934 HydrophobicContact CD2-CD1 3.84Å; P1909-L1934 HydrophobicContact CB-CB 4.14Å; P1909-L1934 HydrophobicContact CB-CD1 4.22Å; P1909-L1934 HydrophobicContact CB-CG 4.42Å; P1909-L1934 WeakPolarHBondContact O-CB 3.47Å; P1909-L1934 WeakPolarHBondContact O-CG 3.48Å; P1909-L1934 PolarHBondContact O-N 2.98Å; L1911-L1934 HydrophobicContact CB-CD2 3.88Å; L1911-L1934 HydrophobicContact CD2-CD2 4.5Å; L1932-L1934 PolarHBondContact O-N 3.46Å; L1934-L1964 HydrophobicContact CB-CB 4.45Å; L1934-L1964 HydrophobicContact CD2-CD2 3.92Å; L1934-L1964 VanDerWaalsContact O-CB 3.3Å; L1934-L1964 WeakPolarHBondContact O-CB 3.17Å; L1934-L1964 PolarHBondContact O-N 3.17Å; L1934-F1965 HydrophobicContact CB-CE2 3.82Å; L1934-F1965 HydrophobicContact CB-CZ 4.35Å; L1934-F1965 HydrophobicContact CD1-CZ 4.46Å |
| 1935 | S | 79.9 | Confident | 86.3 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -14.5 | 175.4 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | N1887 N1933 N1963 | N1887-S1935 VanDerWaalsContact CG-OG 3.25Å; N1887-S1935 PolarHBondContact ND2-OG 2.94Å; N1887-S1935 WeakPolarHBondContact OD1-CB 3.48Å; N1887-S1935 PolarHBondContact OD1-OG 2.99Å; N1933-S1935 PolarHBondContact O-N 3.02Å; N1933-S1935 VanDerWaalsContact O-N 3.13Å; N1933-S1935 PolarHBondContact OD1-N 2.88Å; N1933-S1935 PolarHBondContact OD1-OG 3.24Å; S1935-N1963 WeakPolarHBondContact O-CA 3.12Å; S1935-N1963 VanDerWaalsContact O-CB 3.26Å; S1935-N1963 WeakPolarHBondContact O-CB 3.24Å |
| 1936 | N | 82.7 | Confident | 86.3 | Confident | 85 Ų | 85 | 45.3 Ų | 45.3 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -151.9 | 72.7 | -178.1 | -162.5 | 21.3 | 0 | 0 | 0 | 111.9 | N1933 L1961 | N1933-N1936 CarbonylContact O-C 3.49Å; N1933-N1936 PolarHBondContact O-N 3.44Å; N1936-L1961 WeakPolarHBondContact OD1-CB 3.39Å; N1936-L1961 WeakPolarHBondContact OD1-CD1 3.5Å |
| 1937 | M | 85.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148 | -175 | 46 | 173.5 | -68.8 | 0 | 0 | 112.3 | L1932 N1933 S1939 L1961 V1962 L1964 L1970 W1974 M1994 | L1932-M1937 HydrophobicContact CB-CB 4.36Å; L1932-M1937 HydrophobicContact CD1-CE 4.29Å; L1932-M1937 HydrophobicContact CD2-CB 4.21Å; N1933-M1937 VanDerWaalsContact O-CB 3.25Å; N1933-M1937 WeakPolarHBondContact O-CB 3.35Å; N1933-M1937 PolarHBondContact O-N 3.36Å; N1933-M1937 VanDerWaalsContact O-N 3.1Å; M1937-S1939 PolarHBondContact O-N 3.26Å; M1937-L1961 CarbonylContact O-C 3.54Å; M1937-L1961 WeakPolarHBondContact O-CA 3.26Å; M1937-V1962 WeakPolarHBondContact CG-O 3.22Å; M1937-V1962 PolarHBondContact N-O 2.82Å; M1937-V1962 PolarHBondContact O-N 3.35Å; M1937-L1964 HydrophobicContact SD-CB 4.35Å; M1937-L1970 HydrophobicContact CE-CD1 3.81Å; M1937-L1970 HydrophobicContact SD-CD1 4.01Å; M1937-W1974 HydrophobicContact CE-CH2 4.39Å; M1937-W1974 HydrophobicContact CE-CZ2 3.41Å; M1937-W1974 VanDerWaalsContact CE-CZ2 3.41Å; M1937-M1994 HydrophobicContact CE-CE 3.41Å; M1937-M1994 VanDerWaalsContact CE-CE 3.41Å; M1937-M1994 HydrophobicContact SD-CE 4.13Å |
| 1938 | P | 84.4 | Confident | 86.3 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 10% | 0.104 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 136.9 | 174.8 | 24.6 | -32.7 | 0 | 0 | 0 | 111.5 | L1932 M1951 L1952 T1959 W1974 | L1932-P1938 HydrophobicContact CD2-CG 4.09Å; P1938-M1951 WeakPolarHBondContact CB-O 3.19Å; P1938-L1952 HydrophobicContact CG-CD2 4.16Å; P1938-T1959 HydrophobicContact CB-CG2 4.3Å; P1938-W1974 PolarHBondContact O-NE1 3.27Å; P1938-W1974 VanDerWaalsContact O-NE1 3.16Å |
| 1939 | S | 84.3 | Confident | 86 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 135.7 | 178.9 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | M1937 M1951 K1960 | M1937-S1939 PolarHBondContact O-N 3.26Å; S1939-M1951 VanDerWaalsContact O-CE 3.22Å; S1939-M1951 WeakPolarHBondContact O-CE 3.35Å; S1939-K1960 WeakPolarHBondContact CB-O 3.43Å; S1939-K1960 PolarHBondContact N-O 3.03Å; S1939-K1960 PolarHBondContact OG-O 3.14Å |
| 1940 | P | 88.4 | Confident | 85.4 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 145.1 | 179.3 | 15.1 | -22.3 | 0 | 0 | 0 | 112 | L1970 N1971 W1974 | P1940-L1970 HydrophobicContact CG-CB 4.47Å; P1940-L1970 HydrophobicContact CG-CD2 3.97Å; P1940-N1971 WeakPolarHBondContact CG-O 3.12Å; P1940-W1974 HydrophobicContact CB-CD2 4.16Å; P1940-W1974 HydrophobicContact CB-CE3 4.16Å; P1940-W1974 HydrophobicContact CB-CH2 3.42Å; P1940-W1974 VanDerWaalsContact CB-CH2 3.42Å; P1940-W1974 HydrophobicContact CB-CZ2 3.34Å; P1940-W1974 HydrophobicContact CB-CZ3 3.82Å; P1940-W1974 HydrophobicContact CG-CH2 3.6Å; P1940-W1974 HydrophobicContact CG-CZ2 3.49Å; P1940-W1974 VanDerWaalsContact CG-CZ2 3.49Å; P1940-W1974 HydrophobicContact CG-CZ3 4.43Å |
| 1941 | S | 88.1 | Confident | 84.8 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 137.1 | 169.7 | -166.6 | 0 | 0 | 0 | 0 | 110.2 | T1943 K1946 C1947 G1972 F1973 | S1941-T1943 PolarHBondContact OG-O 2.96Å; S1941-K1946 VanDerWaalsContact OG-C 3.24Å; S1941-K1946 WeakPolarHBondContact OG-CB 3.21Å; S1941-K1946 PolarHBondContact OG-O 3.28Å; S1941-C1947 PolarHBondContact OG-N 3.06Å; S1941-G1972 CarbonylContact O-C 3.48Å; S1941-G1972 WeakPolarHBondContact O-CA 3.19Å; S1941-F1973 PolarHBondContact N-O 2.82Å; S1941-F1973 WeakPolarHBondContact O-CD2 3.37Å; S1941-F1973 PolarHBondContact O-N 2.7Å |
| 1942 | K | 85.4 | Confident | 84.1 | Confident | 137 Ų | 137 | 47 Ų | 47 | 60% | 0.596 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -79.9 | -16.7 | 179.9 | -67 | -60.5 | -177.9 | -166.3 | 0 | 113.9 | N1971 | K1942-N1971 PolarHBondContact NZ-O 3.02Å; K1942-N1971 PolarHBondContact NZ-OD1 2.93Å |
| 1943 | T | 85.1 | Confident | 82.9 | Confident | 75 Ų | 75 | 51 Ų | 51 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -137.7 | 141.5 | 178.2 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | S1941 G1945 K1946 | S1941-T1943 PolarHBondContact OG-O 2.96Å; T1943-G1945 PolarHBondContact O-N 3.2Å; T1943-G1945 VanDerWaalsContact O-N 3.09Å; T1943-K1946 PolarHBondContact O-N 2.9Å |
| 1944 | R | 83.2 | Confident | 81.5 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -47.5 | -38.9 | 176.5 | 173.4 | -175.5 | 171.2 | 177 | 3.5 | 113.8 | F1827 D1828 E1869 K1946 C1947 F1973 K1989 | F1827-R1944 HydrophobicContact CB-CG 4.29Å; D1828-R1944 VanDerWaalsContact CG-NH2 3.31Å; D1828-R1944 IonicContact OD1-CZ 3.77Å; D1828-R1944 IonicContact OD1-NE 2.81Å; D1828-R1944 PolarHBondContact OD1-NE 2.78Å; D1828-R1944 IonicContact OD1-NH2 3.87Å; D1828-R1944 PolarHBondContact OD1-NH2 3.04Å; D1828-R1944 IonicContact OD2-CZ 3.84Å; D1828-R1944 IonicContact OD2-NE 2.64Å; D1828-R1944 PolarHBondContact OD2-NE 2.8Å; D1828-R1944 IonicContact OD2-NH2 3.45Å; E1869-R1944 IonicContact OE1-CZ 3.75Å; E1869-R1944 IonicContact OE1-NH1 3.64Å; E1869-R1944 PolarHBondContact OE1-NH1 2.74Å; E1869-R1944 IonicContact OE1-NH2 3.71Å; R1944-K1946 VanDerWaalsContact C-N 3.27Å; R1944-K1946 PolarHBondContact O-N 2.82Å; R1944-C1947 WeakPolarHBondContact O-CB 3.31Å; R1944-C1947 PolarHBondContact O-N 2.91Å; R1944-F1973 HydrophobicContact CB-CD1 4.25Å; R1944-F1973 HydrophobicContact CB-CE1 4.03Å; R1944-F1973 HydrophobicContact CB-CZ 4.32Å; R1944-K1989 HydrophobicContact CG-CD 4Å; R1944-K1989 PolarHBondContact O-NZ 3.37Å; R1944-K1989 VanDerWaalsContact O-NZ 3.14Å |
| 1945 | G | 80 | Confident | 79.7 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 75% | 0.753 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -68.3 | -21.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1943 | T1943-G1945 PolarHBondContact O-N 3.2Å; T1943-G1945 VanDerWaalsContact O-N 3.09Å |
| 1946 | K | 84.7 | Confident | 78.3 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 69% | 0.691 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -97.3 | -3.8 | 176.9 | -71.6 | -175.6 | 179.1 | -175 | 0 | 112.9 | S1941 T1943 R1944 S1948 | S1941-K1946 VanDerWaalsContact OG-C 3.24Å; S1941-K1946 WeakPolarHBondContact OG-CB 3.21Å; S1941-K1946 PolarHBondContact OG-O 3.28Å; T1943-K1946 PolarHBondContact O-N 2.9Å; R1944-K1946 VanDerWaalsContact C-N 3.27Å; R1944-K1946 PolarHBondContact O-N 2.82Å; K1946-S1948 PolarHBondContact O-N 3.35Å |
| 1947 | C | 87.8 | Confident | 76.7 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.02 | 38% | 0.379 | C | S | . | . | trans | -81.5 | 115.6 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | S1941 R1944 M1951 F1973 P1975 K1989 | S1941-C1947 PolarHBondContact OG-N 3.06Å; R1944-C1947 WeakPolarHBondContact O-CB 3.31Å; R1944-C1947 PolarHBondContact O-N 2.91Å; C1947-M1951 HydrophobicContact CB-SD 4.43Å; C1947-F1973 HydrophobicContact CB-CB 3.84Å; C1947-P1975 VanDerWaalsContact SG-N 3.4Å; C1947-K1989 HydrophobicContact CB-CD 3.99Å; C1947-K1989 HydrophobicContact CB-CG 4.36Å; C1947-K1989 WeakPolarHBondContact O-CE 3.01Å | ||
| 1948 | S | 84.5 | Confident | 75.3 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | trans | -147.1 | 163.5 | -175.5 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | K1946 N1950 M1951 | K1946-S1948 PolarHBondContact O-N 3.35Å; S1948-N1950 PolarHBondContact O-N 2.71Å; S1948-N1950 VanDerWaalsContact O-N 3.16Å; S1948-M1951 WeakPolarHBondContact O-CB 3.38Å; S1948-M1951 VanDerWaalsContact O-CG 3.31Å; S1948-M1951 WeakPolarHBondContact O-CG 3.37Å; S1948-M1951 PolarHBondContact O-N 2.81Å; S1948-M1951 VanDerWaalsContact O-N 3.08Å | ||
| 1949 | L | 82.5 | Confident | 74.4 | Confident | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.126 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -62.3 | -23.5 | -176.1 | -150.7 | 130.7 | 0 | 0 | 0 | 113.4 | M1951 L1952 V1977 P1984 L1985 L1986 | L1949-M1951 PolarHBondContact O-N 2.88Å; L1949-L1952 PolarHBondContact O-N 3.43Å; L1949-V1977 HydrophobicContact CD1-CG1 4.22Å; L1949-V1977 HydrophobicContact CD1-CG2 3.73Å; L1949-V1977 HydrophobicContact CG-CG2 4.03Å; L1949-P1984 HydrophobicContact CD1-CB 4.31Å; L1949-P1984 WeakPolarHBondContact CD1-O 3.26Å; L1949-P1984 HydrophobicContact CD2-CB 3.77Å; L1949-P1984 HydrophobicContact CD2-CG 3.74Å; L1949-L1985 VanDerWaalsContact CD1-C 3.49Å; L1949-L1986 HydrophobicContact CD1-CB 3.91Å; L1949-L1986 VanDerWaalsContact CD1-N 3.3Å |
| 1950 | N | 79.8 | Confident | 73.8 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -58.4 | -19 | 173.7 | -66.5 | -1 | 0 | 0 | 0 | 113.5 | S1948 L1952 | S1948-N1950 PolarHBondContact O-N 2.71Å; S1948-N1950 VanDerWaalsContact O-N 3.16Å; N1950-L1952 VanDerWaalsContact C-N 3.27Å; N1950-L1952 PolarHBondContact O-N 2.98Å |
| 1951 | M | 80.3 | Confident | 73.3 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 12% | 0.118 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -69.8 | -22.1 | 176 | -64.9 | 175.1 | 63.4 | 0 | 0 | 113.4 | P1938 S1939 C1947 S1948 L1949 T1959 P1975 | P1938-M1951 WeakPolarHBondContact CB-O 3.19Å; S1939-M1951 VanDerWaalsContact O-CE 3.22Å; S1939-M1951 WeakPolarHBondContact O-CE 3.35Å; C1947-M1951 HydrophobicContact CB-SD 4.43Å; S1948-M1951 WeakPolarHBondContact O-CB 3.38Å; S1948-M1951 VanDerWaalsContact O-CG 3.31Å; S1948-M1951 WeakPolarHBondContact O-CG 3.37Å; S1948-M1951 PolarHBondContact O-N 2.81Å; S1948-M1951 VanDerWaalsContact O-N 3.08Å; L1949-M1951 PolarHBondContact O-N 2.88Å; M1951-T1959 WeakPolarHBondContact O-CG2 3.08Å; M1951-P1975 HydrophobicContact CB-CG 4.46Å |
| 1952 | L | 76.4 | Confident | 73 | Confident | 56 Ų | 56 | 85 Ų | 85 | 29% | 0.293 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -18.6 | -177.1 | -65.4 | 174 | 0 | 0 | 0 | 113 | L1930 P1938 L1949 N1950 S1954 P1975 V1977 | L1930-L1952 HydrophobicContact CD1-CD1 4.41Å; L1930-L1952 HydrophobicContact CD1-CD2 3.92Å; P1938-L1952 HydrophobicContact CG-CD2 4.16Å; L1949-L1952 PolarHBondContact O-N 3.43Å; N1950-L1952 VanDerWaalsContact C-N 3.27Å; N1950-L1952 PolarHBondContact O-N 2.98Å; L1952-S1954 PolarHBondContact O-N 3.03Å; L1952-P1975 HydrophobicContact CD1-CG 3.78Å; L1952-P1975 HydrophobicContact CG-CG 3.92Å; L1952-V1977 HydrophobicContact CD1-CG2 3.46Å; L1952-V1977 VanDerWaalsContact CD1-CG2 3.46Å |
| 1953 | Q | 65.8 | Low | 72.8 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 39% | 0.393 | 46% | 0.456 | S | S | . | . | trans | -74.6 | 109.9 | 178.8 | -72.3 | -179.4 | -8.1 | 0 | 0 | 110.3 | V1955 | Q1953-V1955 PolarHBondContact O-N 3.35Š| ||
| 1954 | S | 57.2 | Low | 72.7 | Confident | 114 Ų | 114 | 76.8 Ų | 76.8 | 80% | 0.797 | 43% | 0.434 | S | S | * | . | trans | -74.5 | -13.8 | 176.1 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | L1952 | L1952-S1954 PolarHBondContact O-N 3.03Š| ||
| 1955 | V | 48.3 | Very low | 72.6 | Confident | 129 Ų | 129 | 74.7 Ų | 74.7 | 78% | 0.782 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -96.5 | 100.2 | -175.2 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | Q1953 | Q1953-V1955 PolarHBondContact O-N 3.35Š|
| 1956 | G | 49.6 | Very low | 72.5 | Confident | 75 Ų | 75 | 79 Ų | 79 | 77% | 0.773 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 104.5 | -7.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1957 | N | 49.8 | Very low | 72.3 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -114 | 142 | 174.5 | -77.1 | -33.7 | 0 | 0 | 0 | 111.4 | T1959 | N1957-T1959 PolarHBondContact O-N 3.5Å; N1957-T1959 PolarHBondContact O-OG1 3.43Å; N1957-T1959 VanDerWaalsContact O-OG1 3.13Å |
| 1958 | E | 56.3 | Low | 72 | Confident | 208 Ų | 208 | 78.7 Ų | 78.7 | 97% | 0.972 | 43% | 0.429 | S | S | * | . | trans | -67.7 | 59.3 | 175.2 | -67.9 | -175.5 | 160.9 | 0 | 0 | 112.1 | K1960 | E1958-K1960 PolarHBondContact O-N 3.34Š| ||
| 1959 | T | 64.1 | Low | 72.2 | Confident | 42 Ų | 42 | 82.8 Ų | 82.8 | 26% | 0.258 | 44% | 0.437 | S | S | . | . | trans | -73.2 | 114.2 | -178.6 | -29.8 | 0 | 0 | 0 | 0 | 108.7 | P1938 M1951 N1957 L1961 | P1938-T1959 HydrophobicContact CB-CG2 4.3Å; M1951-T1959 WeakPolarHBondContact O-CG2 3.08Å; N1957-T1959 PolarHBondContact O-N 3.5Å; N1957-T1959 PolarHBondContact O-OG1 3.43Å; N1957-T1959 VanDerWaalsContact O-OG1 3.13Å; T1959-L1961 PolarHBondContact O-N 3.38Å; T1959-L1961 VanDerWaalsContact O-N 3.17Å | ||
| 1960 | K | 71.6 | Confident | 72.5 | Confident | 158 Ų | 158 | 82.4 Ų | 82.4 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | trans | -66.8 | 114.3 | 179.7 | -172.9 | 178.4 | -179.4 | 179.5 | 0 | 110.3 | S1939 E1958 | S1939-K1960 WeakPolarHBondContact CB-O 3.43Å; S1939-K1960 PolarHBondContact N-O 3.03Å; S1939-K1960 PolarHBondContact OG-O 3.14Å; E1958-K1960 PolarHBondContact O-N 3.34Å | ||
| 1961 | L | 79.7 | Confident | 73 | Confident | 93 Ų | 93 | 82 Ų | 82 | 49% | 0.487 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 149.7 | 176.3 | -63.2 | 163.4 | 0 | 0 | 0 | 111.1 | N1936 M1937 T1959 | N1936-L1961 WeakPolarHBondContact OD1-CB 3.39Å; N1936-L1961 WeakPolarHBondContact OD1-CD1 3.5Å; M1937-L1961 CarbonylContact O-C 3.54Å; M1937-L1961 WeakPolarHBondContact O-CA 3.26Å; T1959-L1961 PolarHBondContact O-N 3.38Å; T1959-L1961 VanDerWaalsContact O-N 3.17Å |
| 1962 | V | 80.5 | Confident | 73.6 | Confident | 27 Ų | 27 | 81.3 Ų | 81.3 | 16% | 0.164 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 141.7 | -178.3 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | M1937 C1967 L1970 | M1937-V1962 WeakPolarHBondContact CG-O 3.22Å; M1937-V1962 PolarHBondContact N-O 2.82Å; M1937-V1962 PolarHBondContact O-N 3.35Å; V1962-C1967 HydrophobicContact CG1-CB 3.81Å; V1962-L1970 HydrophobicContact CB-CD1 4.39Å; V1962-L1970 HydrophobicContact CG1-CD1 3.88Å; V1962-L1970 HydrophobicContact CG1-CD2 4.24Å |
| 1963 | N | 81 | Confident | 74.3 | Confident | 38 Ų | 38 | 79.5 Ų | 79.5 | 20% | 0.203 | 42% | 0.421 | C | S | . | . | trans | -102.6 | 116.5 | 172.2 | -175.7 | -20.7 | 0 | 0 | 0 | 109.3 | S1935 F1965 E1966 C1967 | S1935-N1963 WeakPolarHBondContact O-CA 3.12Å; S1935-N1963 VanDerWaalsContact O-CB 3.26Å; S1935-N1963 WeakPolarHBondContact O-CB 3.24Å; N1963-F1965 VanDerWaalsContact C-N 3.28Å; N1963-F1965 PolarHBondContact O-N 3.3Å; N1963-F1965 WeakPolarHBondContact OD1-CB 3.3Å; N1963-F1965 WeakPolarHBondContact OD1-CD2 3.45Å; N1963-F1965 PolarHBondContact OD1-N 2.95Å; N1963-E1966 HydrophobicContact CB-CB 4.36Å; N1963-E1966 HydrophobicContact CB-CG 4.21Å; N1963-E1966 PolarHBondContact O-N 3.01Å; N1963-C1967 WeakPolarHBondContact O-CB 3.45Å; N1963-C1967 PolarHBondContact O-N 3.47Å | ||
| 1964 | L | 84.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -26.7 | -179.1 | -171.9 | 74.1 | 0 | 0 | 0 | 112.4 | L1819 L1934 M1937 E1966 C1967 R1968 L1970 M1994 L1996 | L1819-L1964 HydrophobicContact CD1-CD2 3.6Å; L1934-L1964 HydrophobicContact CB-CB 4.45Å; L1934-L1964 HydrophobicContact CD2-CD2 3.92Å; L1934-L1964 VanDerWaalsContact O-CB 3.3Å; L1934-L1964 WeakPolarHBondContact O-CB 3.17Å; L1934-L1964 PolarHBondContact O-N 3.17Å; M1937-L1964 HydrophobicContact SD-CB 4.35Å; L1964-E1966 VanDerWaalsContact C-N 3.25Å; L1964-E1966 PolarHBondContact O-N 3.39Å; L1964-C1967 WeakPolarHBondContact CD1-O 3.26Å; L1964-C1967 CarbonylContact O-C 3.46Å; L1964-C1967 VanDerWaalsContact O-O 3.1Å; L1964-R1968 WeakPolarHBondContact O-CA 3.17Å; L1964-R1968 PolarHBondContact O-N 2.72Å; L1964-L1970 HydrophobicContact CD1-CB 4.27Å; L1964-L1970 HydrophobicContact CD1-CD1 3.75Å; L1964-L1970 HydrophobicContact CD1-CG 4.19Å; L1964-M1994 HydrophobicContact CD1-CB 4Å; L1964-M1994 HydrophobicContact CD2-CB 4.4Å; L1964-L1996 HydrophobicContact CD2-CB 4.2Å; L1964-L1996 HydrophobicContact CG-CB 4.19Å |
| 1965 | F | 80.7 | Confident | 77.3 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -25.7 | 176.9 | -61.7 | -83.6 | 0 | 0 | 0 | 112.2 | F1880 Y1882 P1909 L1934 N1963 L1996 | F1880-F1965 HydrophobicContact CE2-CE1 4.07Å; F1880-F1965 HydrophobicContact CE2-CZ 4.09Å; F1880-F1965 HydrophobicContact CZ-CE1 4.04Å; F1880-F1965 HydrophobicContact CZ-CZ 4.2Å; Y1882-F1965 AromaticContact CD1-CD1 3.52Å; Y1882-F1965 HydrophobicContact CD1-CD1 3.52Å; Y1882-F1965 AromaticContact CD1-CE1 3.22Å; Y1882-F1965 HydrophobicContact CD1-CE1 3.22Å; Y1882-F1965 HydrophobicContact CD1-CG 4.37Å; Y1882-F1965 AromaticContact CD1-CZ 3.85Å; Y1882-F1965 HydrophobicContact CD1-CZ 3.85Å; Y1882-F1965 AromaticContact CD2-CE1 3.89Å; Y1882-F1965 HydrophobicContact CD2-CE1 3.89Å; Y1882-F1965 HydrophobicContact CD2-CE2 4.43Å; Y1882-F1965 AromaticContact CD2-CZ 3.68Å; Y1882-F1965 HydrophobicContact CD2-CZ 3.68Å; Y1882-F1965 HydrophobicContact CE1-CB 4.48Å; Y1882-F1965 AromaticContact CE1-CD1 3.27Å; Y1882-F1965 HydrophobicContact CE1-CD1 3.27Å; Y1882-F1965 HydrophobicContact CE1-CD2 4.02Å; Y1882-F1965 AromaticContact CE1-CE1 3.3Å; Y1882-F1965 HydrophobicContact CE1-CE1 3.3Å; Y1882-F1965 HydrophobicContact CE1-CE2 4.02Å; Y1882-F1965 AromaticContact CE1-CG 3.67Å; Y1882-F1965 HydrophobicContact CE1-CG 3.67Å; Y1882-F1965 AromaticContact CE1-CZ 3.69Å; Y1882-F1965 HydrophobicContact CE1-CZ 3.69Å; Y1882-F1965 AromaticContact CE2-CE1 3.98Å; Y1882-F1965 HydrophobicContact CE2-CE1 3.98Å; Y1882-F1965 AromaticContact CE2-CE2 3.83Å; Y1882-F1965 HydrophobicContact CE2-CE2 3.83Å; Y1882-F1965 AromaticContact CE2-CZ 3.53Å; Y1882-F1965 HydrophobicContact CE2-CZ 3.53Å; Y1882-F1965 HydrophobicContact CG-CD1 4.29Å; Y1882-F1965 AromaticContact CG-CE1 3.53Å; Y1882-F1965 HydrophobicContact CG-CE1 3.53Å; Y1882-F1965 AromaticContact CG-CZ 3.83Å; Y1882-F1965 HydrophobicContact CG-CZ 3.83Å; Y1882-F1965 AromaticContact CZ-CD1 3.89Å; Y1882-F1965 AromaticContact CZ-CD2 3.82Å; Y1882-F1965 AromaticContact CZ-CE1 3.69Å; Y1882-F1965 AromaticContact CZ-CE2 3.59Å; Y1882-F1965 AromaticContact CZ-CG 3.97Å; Y1882-F1965 AromaticContact CZ-CZ 3.52Å; P1909-F1965 HydrophobicContact CB-CE2 4Å; P1909-F1965 HydrophobicContact CB-CZ 3.95Å; P1909-F1965 HydrophobicContact CG-CE2 3.93Å; P1909-F1965 HydrophobicContact CG-CZ 4.3Å; L1934-F1965 HydrophobicContact CB-CE2 3.82Å; L1934-F1965 HydrophobicContact CB-CZ 4.35Å; L1934-F1965 HydrophobicContact CD1-CZ 4.46Å; N1963-F1965 VanDerWaalsContact C-N 3.28Å; N1963-F1965 PolarHBondContact O-N 3.3Å; N1963-F1965 WeakPolarHBondContact OD1-CB 3.3Å; N1963-F1965 WeakPolarHBondContact OD1-CD2 3.45Å; N1963-F1965 PolarHBondContact OD1-N 2.95Å; F1965-L1996 HydrophobicContact CB-CD2 4.46Å; F1965-L1996 HydrophobicContact CD1-CD2 3.25Å; F1965-L1996 HydrophobicContact CE1-CD2 3.54Å; F1965-L1996 HydrophobicContact CG-CD2 3.97Å; F1965-L1996 HydrophobicContact CZ-CD2 4.46Å |
| 1966 | E | 77.8 | Confident | 79.4 | Confident | 163 Ų | 163 | 64 Ų | 64 | 76% | 0.762 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -46.6 | 170.8 | -62.3 | -178.8 | 175.4 | 0 | 0 | 111.2 | N1963 L1964 R1968 | N1963-E1966 HydrophobicContact CB-CB 4.36Å; N1963-E1966 HydrophobicContact CB-CG 4.21Å; N1963-E1966 PolarHBondContact O-N 3.01Å; L1964-E1966 VanDerWaalsContact C-N 3.25Å; L1964-E1966 PolarHBondContact O-N 3.39Å; E1966-R1968 PolarHBondContact O-N 2.84Å |
| 1967 | C | 80.2 | Confident | 81.3 | Confident | 51 Ų | 51 | 61 Ų | 61 | 35% | 0.345 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -97.5 | 77.5 | 177.9 | -165.6 | 0 | 0 | 0 | 0 | 110 | V1962 N1963 L1964 R1969 | V1962-C1967 HydrophobicContact CG1-CB 3.81Å; N1963-C1967 WeakPolarHBondContact O-CB 3.45Å; N1963-C1967 PolarHBondContact O-N 3.47Å; L1964-C1967 WeakPolarHBondContact CD1-O 3.26Å; L1964-C1967 CarbonylContact O-C 3.46Å; L1964-C1967 VanDerWaalsContact O-O 3.1Å; C1967-R1969 PolarHBondContact O-N 2.94Å |
| 1968 | R | 82.6 | Confident | 83 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | trans | -56.4 | -8.1 | -171.9 | -64.6 | -168.1 | 177.5 | -168.1 | 1.6 | 116.7 | L1964 E1966 E1995 L1996 E2001 | L1964-R1968 WeakPolarHBondContact O-CA 3.17Å; L1964-R1968 PolarHBondContact O-N 2.72Å; E1966-R1968 PolarHBondContact O-N 2.84Å; R1968-E1995 CarbonylContact O-C 3.5Å; R1968-E1995 WeakPolarHBondContact O-CA 3.22Å; R1968-L1996 PolarHBondContact O-N 2.91Å; R1968-E2001 IonicContact CZ-OE1 3.34Å; R1968-E2001 IonicContact NH1-OE1 2.99Å; R1968-E2001 PolarHBondContact NH1-OE1 3.24Å; R1968-E2001 IonicContact NH1-OE2 3.71Å; R1968-E2001 PolarHBondContact NH1-OE2 3.47Å | ||
| 1969 | R | 87.9 | Confident | 83.9 | Confident | 135 Ų | 135 | 54.2 Ų | 54.2 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 126.1 | 179 | -167.1 | 171.3 | 177.3 | 171.8 | 0.9 | 111.3 | C1967 E1993 M1994 E1995 | C1967-R1969 PolarHBondContact O-N 2.94Å; R1969-E1993 IonicContact CZ-OE1 3.96Å; R1969-E1993 IonicContact NE-OE1 3.47Å; R1969-E1993 PolarHBondContact NE-OE1 3.26Å; R1969-E1993 IonicContact NH2-OE1 3.09Å; R1969-E1993 PolarHBondContact NH2-OE1 2.76Å; R1969-E1993 IonicContact NH2-OE2 2.64Å; R1969-M1994 CarbonylContact C-O 3.04Å; R1969-M1994 VanDerWaalsContact CA-O 3.25Å; R1969-M1994 WeakPolarHBondContact CA-O 3.4Å; R1969-E1995 HydrophobicContact CG-CB 4.49Å |
| 1970 | L | 89.8 | Confident | 84 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.1 | -179.6 | -81.7 | 168 | 0 | 0 | 0 | 110.2 | M1937 P1940 V1962 L1964 W1974 E1993 M1994 | M1937-L1970 HydrophobicContact CE-CD1 3.81Å; M1937-L1970 HydrophobicContact SD-CD1 4.01Å; P1940-L1970 HydrophobicContact CG-CB 4.47Å; P1940-L1970 HydrophobicContact CG-CD2 3.97Å; V1962-L1970 HydrophobicContact CB-CD1 4.39Å; V1962-L1970 HydrophobicContact CG1-CD1 3.88Å; V1962-L1970 HydrophobicContact CG1-CD2 4.24Å; L1964-L1970 HydrophobicContact CD1-CB 4.27Å; L1964-L1970 HydrophobicContact CD1-CD1 3.75Å; L1964-L1970 HydrophobicContact CD1-CG 4.19Å; L1970-W1974 HydrophobicContact CB-CH2 4.41Å; L1970-E1993 CarbonylContact O-C 3.49Å; L1970-E1993 WeakPolarHBondContact O-CA 3.22Å; L1970-M1994 PolarHBondContact N-O 2.84Å; L1970-M1994 PolarHBondContact O-N 3.07Å |
| 1971 | N | 89.4 | Confident | 83.6 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.8 | 176.2 | 67.4 | -4.8 | 0 | 0 | 0 | 112.1 | P1940 K1942 E1993 | P1940-N1971 WeakPolarHBondContact CG-O 3.12Å; K1942-N1971 PolarHBondContact NZ-O 3.02Å; K1942-N1971 PolarHBondContact NZ-OD1 2.93Å; N1971-E1993 HydrophobicContact CB-CB 4.32Å; N1971-E1993 HydrophobicContact CB-CG 4.21Å |
| 1972 | G | 92.3 | Very high | 82.9 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.9 | -152.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | S1941 W1974 M1992 | S1941-G1972 CarbonylContact O-C 3.48Å; S1941-G1972 WeakPolarHBondContact O-CA 3.19Å; G1972-W1974 WeakPolarHBondContact O-CZ3 3.29Å; G1972-M1992 PolarHBondContact N-O 3.28Å; G1972-M1992 VanDerWaalsContact N-O 3.16Å; G1972-M1992 PolarHBondContact O-N 3.39Å |
| 1973 | F | 92.2 | Very high | 82.6 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.2 | -170 | -61.1 | -96 | 0 | 0 | 0 | 112.3 | F1827 S1941 R1944 C1947 I1990 E1991 | F1827-F1973 HydrophobicContact CD2-CD1 4.3Å; F1827-F1973 AromaticContact CD2-CE1 3.66Å; F1827-F1973 HydrophobicContact CD2-CE1 3.66Å; F1827-F1973 AromaticContact CE2-CE1 3.64Å; F1827-F1973 HydrophobicContact CE2-CE1 3.64Å; F1827-F1973 HydrophobicContact CE2-CZ 4.35Å; S1941-F1973 PolarHBondContact N-O 2.82Å; S1941-F1973 WeakPolarHBondContact O-CD2 3.37Å; S1941-F1973 PolarHBondContact O-N 2.7Å; R1944-F1973 HydrophobicContact CB-CD1 4.25Å; R1944-F1973 HydrophobicContact CB-CE1 4.03Å; R1944-F1973 HydrophobicContact CB-CZ 4.32Å; C1947-F1973 HydrophobicContact CB-CB 3.84Å; F1973-I1990 VanDerWaalsContact CA-O 3.24Å; F1973-I1990 WeakPolarHBondContact CA-O 3.44Å; F1973-E1991 HydrophobicContact CD1-CB 3.9Å; F1973-E1991 HydrophobicContact CD1-CG 4.36Å; F1973-E1991 HydrophobicContact CE1-CB 3.59Å; F1973-E1991 HydrophobicContact CE1-CG 3.85Å; F1973-E1991 HydrophobicContact CE2-CG 4.39Å; F1973-E1991 HydrophobicContact CZ-CB 4.12Å; F1973-E1991 HydrophobicContact CZ-CG 3.84Å |
| 1974 | W | 93.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.7 | 169.7 | -71.5 | -93.8 | 0 | 0 | 0 | 111.4 | L1930 M1937 P1938 P1940 L1970 G1972 K1989 I1990 M1992 M1994 | L1930-W1974 HydrophobicContact CD1-CB 4.34Å; L1930-W1974 HydrophobicContact CD2-CB 3.5Å; L1930-W1974 VanDerWaalsContact CD2-CB 3.5Å; L1930-W1974 HydrophobicContact CD2-CG 4.18Å; M1937-W1974 HydrophobicContact CE-CH2 4.39Å; M1937-W1974 HydrophobicContact CE-CZ2 3.41Å; M1937-W1974 VanDerWaalsContact CE-CZ2 3.41Å; P1938-W1974 PolarHBondContact O-NE1 3.27Å; P1938-W1974 VanDerWaalsContact O-NE1 3.16Å; P1940-W1974 HydrophobicContact CB-CD2 4.16Å; P1940-W1974 HydrophobicContact CB-CE3 4.16Å; P1940-W1974 HydrophobicContact CB-CH2 3.42Å; P1940-W1974 VanDerWaalsContact CB-CH2 3.42Å; P1940-W1974 HydrophobicContact CB-CZ2 3.34Å; P1940-W1974 HydrophobicContact CB-CZ3 3.82Å; P1940-W1974 HydrophobicContact CG-CH2 3.6Å; P1940-W1974 HydrophobicContact CG-CZ2 3.49Å; P1940-W1974 VanDerWaalsContact CG-CZ2 3.49Å; P1940-W1974 HydrophobicContact CG-CZ3 4.43Å; L1970-W1974 HydrophobicContact CB-CH2 4.41Å; G1972-W1974 WeakPolarHBondContact O-CZ3 3.29Å; W1974-K1989 CarbonylContact O-C 3.53Å; W1974-K1989 WeakPolarHBondContact O-CA 3.26Å; W1974-I1990 HydrophobicContact CB-CG2 4.03Å; W1974-I1990 PolarHBondContact N-O 2.91Å; W1974-I1990 PolarHBondContact O-N 2.82Å; W1974-M1992 HydrophobicContact CB-CE 4.36Å; W1974-M1992 HydrophobicContact CD2-CE 3.53Å; W1974-M1992 HydrophobicContact CE3-CE 3.28Å; W1974-M1992 HydrophobicContact CE3-CG 3.51Å; W1974-M1992 HydrophobicContact CE3-SD 4.16Å; W1974-M1992 HydrophobicContact CG-CE 4.04Å; W1974-M1992 HydrophobicContact CH2-CE 4.25Å; W1974-M1992 HydrophobicContact CH2-CG 4.47Å; W1974-M1992 HydrophobicContact CZ2-CE 4.48Å; W1974-M1992 HydrophobicContact CZ3-CE 3.68Å; W1974-M1992 HydrophobicContact CZ3-CG 3.4Å; W1974-M1992 HydrophobicContact CZ3-SD 4.38Å; W1974-M1994 HydrophobicContact CH2-CE 3.22Å; W1974-M1994 HydrophobicContact CZ2-CE 3.39Å; W1974-M1994 HydrophobicContact CZ3-CE 3.96Å |
| 1975 | P | 92.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 139.4 | 178.1 | 32.2 | -32.4 | 0 | 0 | 0 | 111.3 | C1947 M1951 L1952 L1986 | C1947-P1975 VanDerWaalsContact SG-N 3.4Å; M1951-P1975 HydrophobicContact CB-CG 4.46Å; L1952-P1975 HydrophobicContact CD1-CG 3.78Å; L1952-P1975 HydrophobicContact CG-CG 3.92Å; P1975-L1986 HydrophobicContact CB-CD1 3.37Å |
| 1976 | F | 92.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 145.5 | 161.9 | -77.8 | -61.7 | 0 | 0 | 0 | 110.2 | T1826 V1846 L1913 V1915 L1930 T1987 G1988 I1990 | T1826-F1976 HydrophobicContact CG2-CE2 4.26Å; V1846-F1976 HydrophobicContact CG1-CZ 4.25Å; V1846-F1976 HydrophobicContact CG2-CZ 4.49Å; L1913-F1976 HydrophobicContact CB-CE1 4.01Å; L1913-F1976 HydrophobicContact CB-CZ 4.41Å; V1915-F1976 HydrophobicContact CB-CD2 3.87Å; V1915-F1976 HydrophobicContact CB-CE1 4.44Å; V1915-F1976 HydrophobicContact CB-CE2 3.63Å; V1915-F1976 HydrophobicContact CB-CG 4.35Å; V1915-F1976 HydrophobicContact CB-CZ 3.96Å; V1915-F1976 HydrophobicContact CG1-CB 4.01Å; V1915-F1976 HydrophobicContact CG1-CD1 4.03Å; V1915-F1976 HydrophobicContact CG1-CD2 3.44Å; V1915-F1976 VanDerWaalsContact CG1-CD2 3.44Å; V1915-F1976 HydrophobicContact CG1-CE1 4.35Å; V1915-F1976 HydrophobicContact CG1-CE2 3.77Å; V1915-F1976 HydrophobicContact CG1-CG 3.58Å; V1915-F1976 HydrophobicContact CG1-CZ 4.22Å; V1915-F1976 HydrophobicContact CG2-CE2 4.43Å; L1930-F1976 HydrophobicContact CB-CD1 3.71Å; L1930-F1976 HydrophobicContact CB-CE1 3.8Å; F1976-T1987 PolarHBondContact O-N 3.25Å; F1976-T1987 VanDerWaalsContact O-N 3.13Å; F1976-G1988 PolarHBondContact N-O 2.93Å; F1976-I1990 HydrophobicContact CD2-CB 4.27Å; F1976-I1990 HydrophobicContact CE2-CB 3.6Å; F1976-I1990 HydrophobicContact CE2-CD1 4.06Å; F1976-I1990 HydrophobicContact CE2-CG1 4.31Å; F1976-I1990 HydrophobicContact CE2-CG2 4.12Å; F1976-I1990 HydrophobicContact CZ-CB 4.01Å; F1976-I1990 HydrophobicContact CZ-CD1 3.78Å; F1976-I1990 HydrophobicContact CZ-CG1 4.48Å; F1976-I1990 HydrophobicContact CZ-CG2 4.2Å |
| 1977 | V | 88.8 | Confident | 83.2 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 9% | 0.085 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.7 | -178.6 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | G1928 T1929 L1949 L1952 E1979 P1984 L1985 | G1928-V1977 CarbonylContact C-O 3.55Å; G1928-V1977 WeakPolarHBondContact CA-O 3.23Å; T1929-V1977 PolarHBondContact N-O 2.78Å; T1929-V1977 PolarHBondContact O-N 2.79Å; L1949-V1977 HydrophobicContact CD1-CG1 4.22Å; L1949-V1977 HydrophobicContact CD1-CG2 3.73Å; L1949-V1977 HydrophobicContact CG-CG2 4.03Å; L1952-V1977 HydrophobicContact CD1-CG2 3.46Å; L1952-V1977 VanDerWaalsContact CD1-CG2 3.46Å; V1977-E1979 HydrophobicContact CG1-CG 4.16Å; V1977-P1984 HydrophobicContact CG1-CB 3.48Å; V1977-P1984 VanDerWaalsContact CG1-CB 3.48Å; V1977-L1985 VanDerWaalsContact CA-O 3.29Å; V1977-L1985 WeakPolarHBondContact CA-O 3.43Å |
| 1978 | N | 85.2 | Confident | 83.7 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.7 | 164.2 | -169.3 | -10.7 | 0 | 0 | 0 | 109.2 | F1926 I1927 E1980 L1985 T1987 | F1926-N1978 HydrophobicContact CE1-CB 4.34Å; I1927-N1978 WeakPolarHBondContact O-CB 3.38Å; N1978-E1980 PolarHBondContact ND2-OE1 3Å; N1978-E1980 WeakPolarHBondContact OD1-CG 3.08Å; N1978-E1980 PolarHBondContact OD1-N 3.12Å; N1978-E1980 VanDerWaalsContact OD1-N 3.17Å; N1978-L1985 PolarHBondContact N-O 2.71Å; N1978-L1985 VanDerWaalsContact N-O 3.09Å; N1978-L1985 PolarHBondContact O-N 3.02Å; N1978-T1987 HydrophobicContact CB-CG2 3.54Å |
| 1979 | E | 75.9 | Confident | 84.2 | Confident | 132 Ų | 132 | 50.7 Ų | 50.7 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | trans | -116.8 | 24.3 | -177 | -66.8 | -166.1 | 164.4 | 0 | 0 | 113.4 | V1977 S1981 G1982 P1984 | V1977-E1979 HydrophobicContact CG1-CG 4.16Å; E1979-S1981 VanDerWaalsContact C-N 3.28Å; E1979-S1981 PolarHBondContact O-N 3.36Å; E1979-G1982 PolarHBondContact O-N 2.81Å; E1979-G1982 VanDerWaalsContact O-N 3.16Å; E1979-P1984 HydrophobicContact CG-CB 4.12Å | ||
| 1980 | E | 66.4 | Low | 84.5 | Confident | 159 Ų | 159 | 44.3 Ų | 44.3 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.7 | -179.5 | -87.7 | 173.8 | -157.2 | 0 | 0 | 115.3 | N1978 | N1978-E1980 PolarHBondContact ND2-OE1 3Å; N1978-E1980 WeakPolarHBondContact OD1-CG 3.08Å; N1978-E1980 PolarHBondContact OD1-N 3.12Å; N1978-E1980 VanDerWaalsContact OD1-N 3.17Å |
| 1981 | S | 61.7 | Low | 84.7 | Confident | 86 Ų | 86 | 46 Ų | 46 | 60% | 0.601 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 12.4 | -179.6 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | E1979 T1983 | E1979-S1981 VanDerWaalsContact C-N 3.28Å; E1979-S1981 PolarHBondContact O-N 3.36Å; S1981-T1983 PolarHBondContact O-N 2.74Å; S1981-T1983 PolarHBondContact OG-OG1 3.17Å |
| 1982 | G | 65.7 | Low | 84.9 | Confident | 67 Ų | 67 | 42.2 Ų | 42.2 | 69% | 0.691 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 75.4 | 0.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1979 | E1979-G1982 PolarHBondContact O-N 2.81Å; E1979-G1982 VanDerWaalsContact O-N 3.16Å |
| 1983 | T | 74.2 | Confident | 85 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -122.8 | 127.1 | 172.8 | 48.8 | 0 | 0 | 0 | 0 | 109.2 | S1981 L1985 | S1981-T1983 PolarHBondContact O-N 2.74Å; S1981-T1983 PolarHBondContact OG-OG1 3.17Å; T1983-L1985 PolarHBondContact O-N 2.99Å; T1983-L1985 VanDerWaalsContact O-N 3.14Å |
| 1984 | P | 77.1 | Confident | 85 | Confident | 51 Ų | 51 | 41.8 Ų | 41.8 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | trans | -67.1 | 117.2 | -176 | 27.4 | -34.8 | 0 | 0 | 0 | 110.5 | L1949 V1977 E1979 | L1949-P1984 HydrophobicContact CD1-CB 4.31Å; L1949-P1984 WeakPolarHBondContact CD1-O 3.26Å; L1949-P1984 HydrophobicContact CD2-CB 3.77Å; L1949-P1984 HydrophobicContact CD2-CG 3.74Å; V1977-P1984 HydrophobicContact CG1-CB 3.48Å; V1977-P1984 VanDerWaalsContact CG1-CB 3.48Å; E1979-P1984 HydrophobicContact CG-CB 4.12Å | ||
| 1985 | L | 83.5 | Confident | 85 | Confident | 94 Ų | 94 | 42.8 Ų | 42.8 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.6 | -179.6 | -115.6 | 130.2 | 0 | 0 | 0 | 109.9 | L1949 V1977 N1978 T1983 T1987 | L1949-L1985 VanDerWaalsContact CD1-C 3.49Å; V1977-L1985 VanDerWaalsContact CA-O 3.29Å; V1977-L1985 WeakPolarHBondContact CA-O 3.43Å; N1978-L1985 PolarHBondContact N-O 2.71Å; N1978-L1985 VanDerWaalsContact N-O 3.09Å; N1978-L1985 PolarHBondContact O-N 3.02Å; T1983-L1985 PolarHBondContact O-N 2.99Å; T1983-L1985 VanDerWaalsContact O-N 3.14Å; L1985-T1987 HydrophobicContact CB-CG2 4.47Å; L1985-T1987 PolarHBondContact O-N 3.13Å |
| 1986 | L | 87.3 | Confident | 84.9 | Confident | 63 Ų | 63 | 43 Ų | 43 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 106.8 | 173.8 | 177.7 | 68.8 | 0 | 0 | 0 | 108.5 | L1949 P1975 G1988 K1989 | L1949-L1986 HydrophobicContact CD1-CB 3.91Å; L1949-L1986 VanDerWaalsContact CD1-N 3.3Å; P1975-L1986 HydrophobicContact CB-CD1 3.37Å; L1986-G1988 WeakPolarHBondContact CD1-O 3.46Å; L1986-K1989 HydrophobicContact CD1-CG 4.47Å |
| 1987 | T | 88.7 | Confident | 84.7 | Confident | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -6.1 | -175.9 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | V1829 V1830 I1927 G1928 F1976 N1978 L1985 | V1829-T1987 WeakPolarHBondContact CA-O 3.38Å; V1830-T1987 HydrophobicContact CG2-CG2 4.47Å; V1830-T1987 PolarHBondContact N-O 2.79Å; V1830-T1987 VanDerWaalsContact N-O 3.09Å; I1927-T1987 WeakPolarHBondContact O-CB 2.98Å; I1927-T1987 VanDerWaalsContact O-CG2 3.27Å; I1927-T1987 WeakPolarHBondContact O-CG2 3.49Å; I1927-T1987 PolarHBondContact O-OG1 3.24Å; G1928-T1987 WeakPolarHBondContact CA-OG1 3.44Å; F1976-T1987 PolarHBondContact O-N 3.25Å; F1976-T1987 VanDerWaalsContact O-N 3.13Å; N1978-T1987 HydrophobicContact CB-CG2 3.54Å; L1985-T1987 HydrophobicContact CB-CG2 4.47Å; L1985-T1987 PolarHBondContact O-N 3.13Å |
| 1988 | G | 90 | Very high | 84.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | 177.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | D1828 F1976 L1986 | D1828-G1988 WeakPolarHBondContact O-CA 3.46Å; F1976-G1988 PolarHBondContact N-O 2.93Å; L1986-G1988 WeakPolarHBondContact CD1-O 3.46Å |
| 1989 | K | 93.3 | Very high | 84.6 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.4 | 175 | -61 | 168.2 | -173.9 | 168.4 | 0 | 108.8 | T1826 F1827 D1828 R1944 C1947 W1974 L1986 | T1826-K1989 CarbonylContact C-O 3.5Å; T1826-K1989 WeakPolarHBondContact CA-O 3.28Å; F1827-K1989 HydrophobicContact CB-CB 4.47Å; F1827-K1989 PolarHBondContact N-O 3.22Å; F1827-K1989 PolarHBondContact O-N 3.14Å; D1828-K1989 HydrophobicContact CB-CD 4.44Å; D1828-K1989 WeakPolarHBondContact OD2-CD 3.19Å; D1828-K1989 VanDerWaalsContact OD2-CE 3.32Å; D1828-K1989 WeakPolarHBondContact OD2-CE 3.46Å; D1828-K1989 IonicContact OD2-NZ 2.89Å; D1828-K1989 PolarHBondContact OD2-NZ 3.13Å; R1944-K1989 HydrophobicContact CG-CD 4Å; R1944-K1989 PolarHBondContact O-NZ 3.37Å; R1944-K1989 VanDerWaalsContact O-NZ 3.14Å; C1947-K1989 HydrophobicContact CB-CD 3.99Å; C1947-K1989 HydrophobicContact CB-CG 4.36Å; C1947-K1989 WeakPolarHBondContact O-CE 3.01Å; W1974-K1989 CarbonylContact O-C 3.53Å; W1974-K1989 WeakPolarHBondContact O-CA 3.26Å; L1986-K1989 HydrophobicContact CD1-CG 4.47Å |
| 1990 | I | 94 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.4 | 176.1 | -170.8 | 163.6 | 0 | 0 | 0 | 110.3 | V1823 T1826 V1846 L1930 F1973 W1974 F1976 M1992 | V1823-I1990 HydrophobicContact CG1-CD1 3.92Å; V1823-I1990 HydrophobicContact CG1-CG1 4.22Å; V1823-I1990 HydrophobicContact CG2-CD1 4.21Å; T1826-I1990 HydrophobicContact CG2-CB 4.44Å; T1826-I1990 HydrophobicContact CG2-CG1 4.3Å; V1846-I1990 HydrophobicContact CG1-CD1 3.96Å; V1846-I1990 HydrophobicContact CG2-CD1 4.31Å; L1930-I1990 HydrophobicContact CD2-CG2 3.91Å; F1973-I1990 VanDerWaalsContact CA-O 3.24Å; F1973-I1990 WeakPolarHBondContact CA-O 3.44Å; W1974-I1990 HydrophobicContact CB-CG2 4.03Å; W1974-I1990 PolarHBondContact N-O 2.91Å; W1974-I1990 PolarHBondContact O-N 2.82Å; F1976-I1990 HydrophobicContact CD2-CB 4.27Å; F1976-I1990 HydrophobicContact CE2-CB 3.6Å; F1976-I1990 HydrophobicContact CE2-CD1 4.06Å; F1976-I1990 HydrophobicContact CE2-CG1 4.31Å; F1976-I1990 HydrophobicContact CE2-CG2 4.12Å; F1976-I1990 HydrophobicContact CZ-CB 4.01Å; F1976-I1990 HydrophobicContact CZ-CD1 3.78Å; F1976-I1990 HydrophobicContact CZ-CG1 4.48Å; F1976-I1990 HydrophobicContact CZ-CG2 4.2Å; I1990-M1992 HydrophobicContact CD1-SD 4.21Å; I1990-M1992 HydrophobicContact CG1-CB 4.26Å; I1990-M1992 HydrophobicContact CG1-SD 4.42Å; I1990-M1992 HydrophobicContact CG2-CE 4.48Å; I1990-M1992 HydrophobicContact CG2-SD 4.08Å |
| 1991 | E | 94.5 | Very high | 85.8 | Confident | 52 Ų | 52 | 38.3 Ų | 38.3 | 24% | 0.243 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 111.6 | 165.4 | -173.1 | 178.3 | -154 | 0 | 0 | 108.3 | W1824 N1825 F1827 F1973 | W1824-E1991 HydrophobicContact CB-CB 4.37Å; W1824-E1991 HydrophobicContact CB-CG 4.11Å; W1824-E1991 PolarHBondContact N-O 3.3Å; N1825-E1991 HydrophobicContact CB-CB 4.37Å; N1825-E1991 PolarHBondContact N-O 2.84Å; N1825-E1991 PolarHBondContact ND2-OE2 2.74Å; N1825-E1991 PolarHBondContact O-N 2.83Å; F1827-E1991 HydrophobicContact CE2-CB 4.22Å; F1973-E1991 HydrophobicContact CD1-CB 3.9Å; F1973-E1991 HydrophobicContact CD1-CG 4.36Å; F1973-E1991 HydrophobicContact CE1-CB 3.59Å; F1973-E1991 HydrophobicContact CE1-CG 3.85Å; F1973-E1991 HydrophobicContact CE2-CG 4.39Å; F1973-E1991 HydrophobicContact CZ-CB 4.12Å; F1973-E1991 HydrophobicContact CZ-CG 3.84Å |
| 1992 | M | 94.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 158.3 | -179.6 | 64.8 | -173.4 | -174.6 | 0 | 0 | 112.6 | L1821 V1822 L1913 L1930 L1932 G1972 W1974 I1990 M1994 | L1821-M1992 HydrophobicContact CD1-CB 4.07Å; L1821-M1992 HydrophobicContact CD1-CG 4.08Å; L1821-M1992 HydrophobicContact CD1-SD 3.69Å; L1821-M1992 HydrophobicContact CD2-SD 4.27Å; L1821-M1992 HydrophobicContact CG-SD 4.46Å; V1822-M1992 CarbonylContact O-C 3.58Å; V1822-M1992 WeakPolarHBondContact O-CA 3.35Å; V1822-M1992 WeakPolarHBondContact O-CB 3.43Å; L1913-M1992 HydrophobicContact CD1-CE 3.74Å; L1913-M1992 HydrophobicContact CD1-SD 3.35Å; L1913-M1992 WeakPolarHBondContact CD1-SD 3.33Å; L1930-M1992 HydrophobicContact CD2-CE 3.92Å; L1932-M1992 HydrophobicContact CD1-CE 3.59Å; G1972-M1992 PolarHBondContact N-O 3.28Å; G1972-M1992 VanDerWaalsContact N-O 3.16Å; G1972-M1992 PolarHBondContact O-N 3.39Å; W1974-M1992 HydrophobicContact CB-CE 4.36Å; W1974-M1992 HydrophobicContact CD2-CE 3.53Å; W1974-M1992 HydrophobicContact CE3-CE 3.28Å; W1974-M1992 HydrophobicContact CE3-CG 3.51Å; W1974-M1992 HydrophobicContact CE3-SD 4.16Å; W1974-M1992 HydrophobicContact CG-CE 4.04Å; W1974-M1992 HydrophobicContact CH2-CE 4.25Å; W1974-M1992 HydrophobicContact CH2-CG 4.47Å; W1974-M1992 HydrophobicContact CZ2-CE 4.48Å; W1974-M1992 HydrophobicContact CZ3-CE 3.68Å; W1974-M1992 HydrophobicContact CZ3-CG 3.4Å; W1974-M1992 HydrophobicContact CZ3-SD 4.38Å; I1990-M1992 HydrophobicContact CD1-SD 4.21Å; I1990-M1992 HydrophobicContact CG1-CB 4.26Å; I1990-M1992 HydrophobicContact CG1-SD 4.42Å; I1990-M1992 HydrophobicContact CG2-CE 4.48Å; I1990-M1992 HydrophobicContact CG2-SD 4.08Å; M1992-M1994 HydrophobicContact CE-CE 3.86Å; M1992-M1994 HydrophobicContact CE-SD 4.45Å |
| 1993 | E | 93 | Very high | 87.7 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.4 | 173.6 | 179 | 170.2 | -159.7 | 0 | 0 | 109.4 | L1821 V1822 R1969 L1970 N1971 | L1821-E1993 CarbonylContact C-O 3.59Å; L1821-E1993 WeakPolarHBondContact CA-O 3.11Å; V1822-E1993 HydrophobicContact CB-CB 4.37Å; V1822-E1993 PolarHBondContact N-O 2.99Å; V1822-E1993 PolarHBondContact O-N 2.85Å; R1969-E1993 IonicContact CZ-OE1 3.96Å; R1969-E1993 IonicContact NE-OE1 3.47Å; R1969-E1993 PolarHBondContact NE-OE1 3.26Å; R1969-E1993 IonicContact NH2-OE1 3.09Å; R1969-E1993 PolarHBondContact NH2-OE1 2.76Å; R1969-E1993 IonicContact NH2-OE2 2.64Å; L1970-E1993 CarbonylContact O-C 3.49Å; L1970-E1993 WeakPolarHBondContact O-CA 3.22Å; N1971-E1993 HydrophobicContact CB-CB 4.32Å; N1971-E1993 HydrophobicContact CB-CG 4.21Å |
| 1994 | M | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 130.9 | 173.9 | -76.2 | 178.1 | -76.7 | 0 | 0 | 109.5 | L1819 R1820 L1821 L1911 L1932 M1937 L1964 R1969 L1970 W1974 M1992 | L1819-M1994 HydrophobicContact CD1-CB 4.43Å; L1819-M1994 HydrophobicContact CD1-CG 4.49Å; R1820-M1994 CarbonylContact O-C 3.44Å; R1820-M1994 WeakPolarHBondContact O-CA 3.3Å; L1821-M1994 HydrophobicContact CD1-CB 4.35Å; L1821-M1994 HydrophobicContact CD1-CG 3.15Å; L1821-M1994 HydrophobicContact CD1-SD 4.12Å; L1911-M1994 HydrophobicContact CD2-SD 3.85Å; L1932-M1994 HydrophobicContact CD1-CE 4.25Å; M1937-M1994 HydrophobicContact CE-CE 3.41Å; M1937-M1994 VanDerWaalsContact CE-CE 3.41Å; M1937-M1994 HydrophobicContact SD-CE 4.13Å; L1964-M1994 HydrophobicContact CD1-CB 4Å; L1964-M1994 HydrophobicContact CD2-CB 4.4Å; R1969-M1994 CarbonylContact C-O 3.04Å; R1969-M1994 VanDerWaalsContact CA-O 3.25Å; R1969-M1994 WeakPolarHBondContact CA-O 3.4Å; L1970-M1994 PolarHBondContact N-O 2.84Å; L1970-M1994 PolarHBondContact O-N 3.07Å; W1974-M1994 HydrophobicContact CH2-CE 3.22Å; W1974-M1994 HydrophobicContact CZ2-CE 3.39Å; W1974-M1994 HydrophobicContact CZ3-CE 3.96Å; M1992-M1994 HydrophobicContact CE-CE 3.86Å; M1992-M1994 HydrophobicContact CE-SD 4.45Å |
| 1995 | E | 92.6 | Very high | 88.7 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.5 | 168.1 | -172.8 | -174.6 | -156.9 | 0 | 0 | 109 | R1820 R1968 R1969 V1997 R2005 | R1820-E1995 HydrophobicContact CB-CB 4.38Å; R1820-E1995 PolarHBondContact N-O 3.47Å; R1820-E1995 PolarHBondContact O-N 2.96Å; R1968-E1995 CarbonylContact O-C 3.5Å; R1968-E1995 WeakPolarHBondContact O-CA 3.22Å; R1969-E1995 HydrophobicContact CG-CB 4.49Å; E1995-V1997 HydrophobicContact CG-CG1 4Å; E1995-R2005 IonicContact OE1-CZ 2.95Å; E1995-R2005 VanDerWaalsContact OE1-CZ 3.23Å; E1995-R2005 IonicContact OE1-NH1 3.49Å; E1995-R2005 PolarHBondContact OE1-NH1 2.88Å; E1995-R2005 IonicContact OE1-NH2 2.72Å; E1995-R2005 PolarHBondContact OE1-NH2 2.64Å; E1995-R2005 IonicContact OE2-NH1 2.6Å |
| 1996 | L | 90.6 | Very high | 88.8 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.9 | 174.6 | -173.7 | 72.2 | 0 | 0 | 0 | 109.5 | Y1817 L1819 F1880 L1964 F1965 R1968 | Y1817-L1996 HydrophobicContact CD1-CD1 4.14Å; Y1817-L1996 HydrophobicContact CD1-CD2 3.97Å; Y1817-L1996 HydrophobicContact CD1-CG 3.85Å; Y1817-L1996 HydrophobicContact CE1-CD2 4.26Å; Y1817-L1996 HydrophobicContact CE1-CG 4.49Å; Y1817-L1996 HydrophobicContact CG-CD1 4.44Å; L1819-L1996 HydrophobicContact CB-CD1 4.17Å; L1819-L1996 HydrophobicContact CD1-CD1 4.43Å; F1880-L1996 HydrophobicContact CE1-CD1 3.69Å; F1880-L1996 HydrophobicContact CZ-CD1 3.6Å; L1964-L1996 HydrophobicContact CD2-CB 4.2Å; L1964-L1996 HydrophobicContact CG-CB 4.19Å; F1965-L1996 HydrophobicContact CB-CD2 4.46Å; F1965-L1996 HydrophobicContact CD1-CD2 3.25Å; F1965-L1996 HydrophobicContact CE1-CD2 3.54Å; F1965-L1996 HydrophobicContact CG-CD2 3.97Å; F1965-L1996 HydrophobicContact CZ-CD2 4.46Å; R1968-L1996 PolarHBondContact O-N 2.91Å |
| 1997 | V | 89.6 | Confident | 88.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.9 | 178.8 | -63.3 | 0 | 0 | 0 | 0 | 110.6 | Y1817 I1818 E1995 E2001 A2002 | Y1817-V1997 CarbonylContact C-O 3.2Å; Y1817-V1997 WeakPolarHBondContact CA-O 3.33Å; I1818-V1997 HydrophobicContact CB-CG2 3.96Å; I1818-V1997 HydrophobicContact CG2-CG2 4.41Å; I1818-V1997 PolarHBondContact N-O 2.9Å; I1818-V1997 WeakPolarHBondContact O-CG2 3.4Å; I1818-V1997 PolarHBondContact O-N 2.93Å; E1995-V1997 HydrophobicContact CG-CG1 4Å; V1997-E2001 HydrophobicContact CB-CB 4.05Å; V1997-A2002 HydrophobicContact CG2-CB 3.81Å |
| 1998 | T | 85.9 | Confident | 88.6 | Confident | 28 Ų | 28 | 37.3 Ų | 37.3 | 17% | 0.172 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 159.5 | 167.6 | 61.5 | 0 | 0 | 0 | 0 | 109.8 | Y1817 A2000 E2001 A2002 | Y1817-T1998 HydrophobicContact CD1-CG2 4.16Å; Y1817-T1998 HydrophobicContact CE1-CG2 3.68Å; T1998-A2000 VanDerWaalsContact C-N 3.28Å; T1998-A2000 PolarHBondContact O-N 3.15Å; T1998-E2001 PolarHBondContact N-OE2 3.47Å; T1998-E2001 CarbonylContact O-C 3.59Å; T1998-E2001 WeakPolarHBondContact O-CB 3.41Å; T1998-E2001 PolarHBondContact O-N 3.24Å; T1998-E2001 VanDerWaalsContact O-N 3.07Å; T1998-E2001 WeakPolarHBondContact OG1-CB 3.24Å; T1998-E2001 VanDerWaalsContact OG1-CG 3.25Å; T1998-E2001 WeakPolarHBondContact OG1-CG 3.23Å; T1998-E2001 PolarHBondContact OG1-N 2.73Å; T1998-E2001 PolarHBondContact OG1-OE1 2.75Å; T1998-A2002 WeakPolarHBondContact O-CB 3.27Å; T1998-A2002 PolarHBondContact O-N 2.85Å |
| 1999 | K | 85 | Confident | 88.5 | Confident | 83 Ų | 83 | 41.2 Ų | 41.2 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.2 | -44.3 | 174.7 | 176.5 | 163.7 | 174.5 | -179.3 | 0 | 112.9 | E1816 E2001 A2002 D2003 | E1816-K1999 HydrophobicContact CB-CB 3.69Å; E1816-K1999 HydrophobicContact CB-CD 3.85Å; E1816-K1999 HydrophobicContact CB-CG 4.48Å; E1816-K1999 HydrophobicContact CG-CD 4.21Å; E1816-K1999 PolarHBondContact O-N 2.77Å; E1816-K1999 IonicContact OE1-NZ 3.08Å; E1816-K1999 PolarHBondContact OE1-NZ 2.85Å; E1816-K1999 WeakPolarHBondContact OE2-CD 3.36Å; E1816-K1999 WeakPolarHBondContact OE2-CE 3.49Å; E1816-K1999 IonicContact OE2-NZ 3.99Å; E1816-K1999 PolarHBondContact OE2-NZ 3.08Å; K1999-E2001 VanDerWaalsContact C-N 3.31Å; K1999-E2001 PolarHBondContact O-N 3.49Å; K1999-A2002 WeakPolarHBondContact O-CA 3.15Å; K1999-A2002 WeakPolarHBondContact O-CB 3.41Å; K1999-A2002 PolarHBondContact O-N 2.79Å; K1999-D2003 VanDerWaalsContact O-CG 3.26Å; K1999-D2003 PolarHBondContact O-N 3.3Å |
| 2000 | A | 81.8 | Confident | 88.3 | Confident | 66 Ų | 66 | 40.6 Ų | 40.6 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1998 L2004 | T1998-A2000 VanDerWaalsContact C-N 3.28Å; T1998-A2000 PolarHBondContact O-N 3.15Å; A2000-L2004 WeakPolarHBondContact O-CG 3.3Å; A2000-L2004 PolarHBondContact O-N 2.86Å |
| 2001 | E | 86.5 | Confident | 88 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.7 | -32.4 | 173.8 | -74.3 | 162.5 | -156.4 | 0 | 0 | 112.6 | R1968 V1997 T1998 K1999 L2004 R2005 | R1968-E2001 IonicContact CZ-OE1 3.34Å; R1968-E2001 IonicContact NH1-OE1 2.99Å; R1968-E2001 PolarHBondContact NH1-OE1 3.24Å; R1968-E2001 IonicContact NH1-OE2 3.71Å; R1968-E2001 PolarHBondContact NH1-OE2 3.47Å; V1997-E2001 HydrophobicContact CB-CB 4.05Å; T1998-E2001 PolarHBondContact N-OE2 3.47Å; T1998-E2001 CarbonylContact O-C 3.59Å; T1998-E2001 WeakPolarHBondContact O-CB 3.41Å; T1998-E2001 PolarHBondContact O-N 3.24Å; T1998-E2001 VanDerWaalsContact O-N 3.07Å; T1998-E2001 WeakPolarHBondContact OG1-CB 3.24Å; T1998-E2001 VanDerWaalsContact OG1-CG 3.25Å; T1998-E2001 WeakPolarHBondContact OG1-CG 3.23Å; T1998-E2001 PolarHBondContact OG1-N 2.73Å; T1998-E2001 PolarHBondContact OG1-OE1 2.75Å; K1999-E2001 VanDerWaalsContact C-N 3.31Å; K1999-E2001 PolarHBondContact O-N 3.49Å; E2001-L2004 PolarHBondContact O-N 2.88Å; E2001-R2005 PolarHBondContact O-N 2.84Å |
| 2002 | A | 84.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.1 | -38.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1818 R1820 V1997 T1998 K1999 L2004 R2005 P2006 | I1818-A2002 HydrophobicContact CB-CB 4.46Å; I1818-A2002 HydrophobicContact CD1-CB 3.37Å; I1818-A2002 HydrophobicContact CG1-CB 4.42Å; R1820-A2002 VanDerWaalsContact NH2-CA 3.26Å; V1997-A2002 HydrophobicContact CG2-CB 3.81Å; T1998-A2002 WeakPolarHBondContact O-CB 3.27Å; T1998-A2002 PolarHBondContact O-N 2.85Å; K1999-A2002 WeakPolarHBondContact O-CA 3.15Å; K1999-A2002 WeakPolarHBondContact O-CB 3.41Å; K1999-A2002 PolarHBondContact O-N 2.79Å; A2002-L2004 VanDerWaalsContact C-N 3.27Å; A2002-L2004 PolarHBondContact O-N 3.26Å; A2002-R2005 CarbonylContact O-C 3.36Å; A2002-R2005 PolarHBondContact O-N 2.77Å; A2002-P2006 VanDerWaalsContact O-CA 3.26Å; A2002-P2006 WeakPolarHBondContact O-CA 3.35Å |
| 2003 | D | 82.6 | Confident | 86.9 | Confident | 116 Ų | 116 | 54.8 Ų | 54.8 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.7 | -35.1 | 173.7 | -65.2 | -26.3 | 0 | 0 | 0 | 111.1 | K1999 | K1999-D2003 VanDerWaalsContact O-CG 3.26Å; K1999-D2003 PolarHBondContact O-N 3.3Å |
| 2004 | L | 83.8 | Confident | 86.4 | Confident | 145 Ų | 145 | 56.7 Ų | 56.7 | 76% | 0.759 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -74.1 | -32.8 | 174.1 | -73.2 | 167.7 | 0 | 0 | 0 | 113.4 | A2000 E2001 A2002 P2006 | A2000-L2004 WeakPolarHBondContact O-CG 3.3Å; A2000-L2004 PolarHBondContact O-N 2.86Å; E2001-L2004 PolarHBondContact O-N 2.88Å; A2002-L2004 VanDerWaalsContact C-N 3.27Å; A2002-L2004 PolarHBondContact O-N 3.26Å; L2004-P2006 VanDerWaalsContact C-CD 3.49Å; L2004-P2006 WeakPolarHBondContact O-CD 3.34Å |
| 2005 | R | 88.5 | Confident | 86.1 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -123.9 | 67.4 | -179.6 | -64.6 | -170 | -64 | 137.4 | -5.7 | 110.1 | R1820 E1995 E2001 A2002 | R1820-R2005 PolarHBondContact NH1-O 2.81Å; R1820-R2005 PolarHBondContact NH2-O 2.95Å; E1995-R2005 IonicContact OE1-CZ 2.95Å; E1995-R2005 VanDerWaalsContact OE1-CZ 3.23Å; E1995-R2005 IonicContact OE1-NH1 3.49Å; E1995-R2005 PolarHBondContact OE1-NH1 2.88Å; E1995-R2005 IonicContact OE1-NH2 2.72Å; E1995-R2005 PolarHBondContact OE1-NH2 2.64Å; E1995-R2005 IonicContact OE2-NH1 2.6Å; E2001-R2005 PolarHBondContact O-N 2.84Å; A2002-R2005 CarbonylContact O-C 3.36Å; A2002-R2005 PolarHBondContact O-N 2.77Å |
| 2006 | P | 84.5 | Confident | 85.5 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | trans | -64.6 | 146.6 | -174.6 | 29.7 | -36.8 | 0 | 0 | 0 | 110.4 | A2002 L2004 P2014 N2017 | A2002-P2006 VanDerWaalsContact O-CA 3.26Å; A2002-P2006 WeakPolarHBondContact O-CA 3.35Å; L2004-P2006 VanDerWaalsContact C-CD 3.49Å; L2004-P2006 WeakPolarHBondContact O-CD 3.34Å; P2006-P2014 HydrophobicContact CB-CG 3.76Å; P2006-P2014 HydrophobicContact CG-CG 4.13Å; P2006-N2017 PolarHBondContact O-ND2 3.01Å | ||
| 2007 | A | 86 | Confident | 85.1 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | trans | -145.2 | 115.1 | -174 | 0 | 0 | 0 | 0 | 0 | 108.2 | R1875 | R1875-A2007 VanDerWaalsContact NH1-CA 3.34Å; R1875-A2007 VanDerWaalsContact NH1-CB 3.29Å | ||
| 2008 | G | 86 | Confident | 84.8 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | trans | -66.8 | 159.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1875 P2014 | R1875-G2008 WeakPolarHBondContact CD-O 3.41Å; R1875-G2008 PolarHBondContact NH1-O 2.78Å; G2008-P2014 PolarHBondContact N-O 3.15Å | ||
| 2009 | K | 88.5 | Confident | 84.7 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -69.5 | 153.9 | 170.2 | -70.8 | -171.6 | 177.1 | -166.6 | 0 | 109.3 | D1855 Q1857 V1877 R2011 E2012 | D1855-K2009 IonicContact OD1-NZ 3.64Å; D1855-K2009 PolarHBondContact OD1-NZ 2.63Å; D1855-K2009 IonicContact OD2-NZ 3.23Å; D1855-K2009 PolarHBondContact OD2-NZ 3.01Å; Q1857-K2009 VanDerWaalsContact NE2-NZ 3.16Å; V1877-K2009 HydrophobicContact CB-CG 4.13Å; V1877-K2009 HydrophobicContact CG2-CG 4.2Å; K2009-R2011 PolarHBondContact O-N 2.76Å; K2009-R2011 VanDerWaalsContact O-N 3.08Å; K2009-E2012 VanDerWaalsContact O-CB 3.32Å; K2009-E2012 WeakPolarHBondContact O-CB 3.39Å; K2009-E2012 PolarHBondContact O-N 2.88Å |
| 2010 | A | 88.7 | Confident | 84.8 | Confident | 9 Ų | 9 | 67 Ų | 67 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | 56.2 | -112.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W1874 R1875 L2020 | W1874-A2010 HydrophobicContact CD2-CB 3.8Å; W1874-A2010 HydrophobicContact CE3-CB 4.17Å; W1874-A2010 HydrophobicContact CH2-CB 3.62Å; W1874-A2010 HydrophobicContact CZ2-CB 3.19Å; W1874-A2010 HydrophobicContact CZ3-CB 4.08Å; R1875-A2010 WeakPolarHBondContact CB-O 3.36Å; R1875-A2010 PolarHBondContact N-O 3.44Å; R1875-A2010 WeakPolarHBondContact O-CA 3.18Å; R1875-A2010 PolarHBondContact O-N 3.47Å; A2010-L2020 WeakPolarHBondContact O-CD1 3.31Å |
| 2011 | R | 88.1 | Confident | 84.9 | Confident | 75 Ų | 75 | 69 Ų | 69 | 28% | 0.283 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 17.8 | 174.5 | -64.9 | 166.3 | -70 | -176.4 | -7 | 110.7 | D1860 N1873 W1874 K2009 N2015 L2020 | D1860-R2011 IonicContact OD2-CZ 3.51Å; D1860-R2011 IonicContact OD2-NH1 3.7Å; D1860-R2011 IonicContact OD2-NH2 2.73Å; D1860-R2011 PolarHBondContact OD2-NH2 2.64Å; N1873-R2011 WeakPolarHBondContact O-CG 3.46Å; W1874-R2011 VanDerWaalsContact CZ3-NH2 3.35Å; K2009-R2011 PolarHBondContact O-N 2.76Å; K2009-R2011 VanDerWaalsContact O-N 3.08Å; R2011-N2015 PolarHBondContact O-ND2 3.07Å; R2011-L2020 HydrophobicContact CG-CB 4.03Å |
| 2012 | E | 86.4 | Confident | 84.6 | Confident | 130 Ų | 130 | 70.8 Ų | 70.8 | 61% | 0.607 | 37% | 0.367 | S | S | * | . | trans | -75.8 | 158.8 | -179.2 | -62.2 | -179.9 | 166.1 | 0 | 0 | 110.8 | K2009 P2014 N2015 | K2009-E2012 VanDerWaalsContact O-CB 3.32Å; K2009-E2012 WeakPolarHBondContact O-CB 3.39Å; K2009-E2012 PolarHBondContact O-N 2.88Å; E2012-P2014 CarbonylContact O-C 3.48Å; E2012-N2015 WeakPolarHBondContact O-CA 3.28Å; E2012-N2015 PolarHBondContact O-N 2.82Å | ||
| 2013 | D | 79.8 | Confident | 84.4 | Confident | 146 Ų | 146 | 71.6 Ų | 71.6 | 78% | 0.781 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -70.5 | 140.2 | 176.2 | -74.1 | -41.2 | 0 | 0 | 0 | 112 | N2015 | D2013-N2015 PolarHBondContact OD1-N 2.78Š|
| 2014 | P | 81.8 | Confident | 84 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 38% | 0.377 | 38% | 0.379 | S | S | . | . | S | Bend | cis | -77.9 | 111.8 | 0.4 | 26.6 | -27.8 | 0 | 0 | 0 | 112.1 | P2006 G2008 E2012 E2016 | P2006-P2014 HydrophobicContact CB-CG 3.76Å; P2006-P2014 HydrophobicContact CG-CG 4.13Å; G2008-P2014 PolarHBondContact N-O 3.15Å; E2012-P2014 CarbonylContact O-C 3.48Å; P2014-E2016 PolarHBondContact O-N 3.01Å |
| 2015 | N | 86.2 | Confident | 83.6 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | trans | -85.1 | 62.6 | -179.7 | -173.6 | 7.4 | 0 | 0 | 0 | 109.6 | R2011 E2012 D2013 H2019 L2020 | R2011-N2015 PolarHBondContact O-ND2 3.07Å; E2012-N2015 WeakPolarHBondContact O-CA 3.28Å; E2012-N2015 PolarHBondContact O-N 2.82Å; D2013-N2015 PolarHBondContact OD1-N 2.78Å; N2015-H2019 WeakPolarHBondContact O-CA 3.23Å; N2015-H2019 PolarHBondContact O-ND1 2.95Å; N2015-L2020 PolarHBondContact ND2-O 3.18Å; N2015-L2020 PolarHBondContact OD1-N 2.68Å | ||
| 2016 | E | 81.3 | Confident | 82.6 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 58% | 0.575 | 36% | 0.359 | S | S | * | . | trans | -129.5 | 168.6 | 175.1 | -71.2 | -134.7 | 167.7 | 0 | 0 | 110.2 | R1875 P2014 | R1875-E2016 PolarHBondContact NH1-O 3.28Å; R1875-E2016 PolarHBondContact NH2-O 2.98Å; P2014-E2016 PolarHBondContact O-N 3.01Å | ||
| 2017 | N | 82.1 | Confident | 81.5 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 59.1 | 59.2 | 174.3 | -53.4 | -65.4 | 0 | 0 | 0 | 115.6 | P2006 | P2006-N2017 PolarHBondContact O-ND2 3.01Š|
| 2018 | P | 81.8 | Confident | 80.1 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 25% | 0.247 | 37% | 0.373 | C | S | . | . | S | Bend | cis | -93.8 | 156.1 | -3.3 | 35 | -33.1 | 0 | 0 | 0 | 112.2 | V1822 W1824 R1875 L2020 | V1822-P2018 HydrophobicContact CG2-CG 4.32Å; W1824-P2018 HydrophobicContact CZ2-CG 4.3Å; R1875-P2018 PolarHBondContact NH2-O 2.83Å; P2018-L2020 HydrophobicContact CG-CD2 4.21Å; P2018-L2020 PolarHBondContact O-N 2.84Å |
| 2019 | H | 84.1 | Confident | 78.6 | Confident | 121 Ų | 121 | 73.6 Ų | 73.6 | 56% | 0.56 | 37% | 0.372 | S | S | * | . | trans | -62.9 | 122.7 | 174.1 | -175 | 74.8 | 0 | 0 | 0 | 111.1 | N2015 | N2015-H2019 WeakPolarHBondContact O-CA 3.23Å; N2015-H2019 PolarHBondContact O-ND1 2.95Å | ||
| 2020 | L | 88 | Confident | 77.1 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | trans | -102.1 | 103.5 | -177.8 | -62.3 | 176.7 | 0 | 0 | 0 | 110.3 | V1822 W1824 R1875 A2010 R2011 N2015 P2018 | V1822-L2020 HydrophobicContact CG1-CD1 4.34Å; V1822-L2020 HydrophobicContact CG1-CD2 3.69Å; W1824-L2020 HydrophobicContact CH2-CD2 3.64Å; W1824-L2020 HydrophobicContact CZ2-CD2 4.25Å; W1824-L2020 HydrophobicContact CZ3-CD2 3.91Å; R1875-L2020 HydrophobicContact CB-CD1 3.75Å; A2010-L2020 WeakPolarHBondContact O-CD1 3.31Å; R2011-L2020 HydrophobicContact CG-CB 4.03Å; N2015-L2020 PolarHBondContact ND2-O 3.18Å; N2015-L2020 PolarHBondContact OD1-N 2.68Å; P2018-L2020 HydrophobicContact CG-CD2 4.21Å; P2018-L2020 PolarHBondContact O-N 2.84Å | ||
| 2021 | E | 83.4 | Confident | 75.5 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 148.9 | 169.8 | -68.8 | -176.1 | -176.2 | 0 | 0 | 110.5 | N1873 | N1873-E2021 WeakPolarHBondContact CB-O 3.08Å; N1873-E2021 PolarHBondContact ND2-O 3.21Å |
| 2022 | P | 79.8 | Confident | 73.8 | Confident | 93 Ų | 93 | 78.9 Ų | 78.9 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 141.4 | 167.9 | -23 | 32.6 | 0 | 0 | 0 | 111.5 | ||
| 2023 | P | 81.3 | Confident | 72.2 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 14% | 0.143 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 138.1 | -174.7 | 27.8 | -33.9 | 0 | 0 | 0 | 111.2 | N1871 R2025 | N1871-P2023 HydrophobicContact CB-CB 4.14Å; N1871-P2023 WeakPolarHBondContact O-CB 3.49Å; P2023-R2025 VanDerWaalsContact C-N 3.27Å; P2023-R2025 HydrophobicContact CB-CG 4.12Å; P2023-R2025 HydrophobicContact CG-CG 4.22Å; P2023-R2025 PolarHBondContact O-N 2.9Å |
| 2024 | K | 74 | Confident | 71 | Confident | 178 Ų | 178 | 79.4 Ų | 79.4 | 77% | 0.774 | 40% | 0.395 | S | S | * | . | trans | -79.9 | 73 | 176.8 | -70.3 | 177.6 | -176.5 | 166.1 | 0 | 110.5 | ||||
| 2025 | R | 76.3 | Confident | 69.7 | Low | 60 Ų | 60 | 77.7 Ų | 77.7 | 23% | 0.226 | 39% | 0.385 | C | S | . | . | trans | -80.3 | 143.2 | 178.6 | -61.9 | 179.4 | -178.1 | 167.9 | 1.9 | 110.8 | D1860 V1861 N1871 P2023 | D1860-R2025 IonicContact OD1-CZ 3.16Å; D1860-R2025 IonicContact OD1-NH2 2.75Å; D1860-R2025 PolarHBondContact OD1-NH2 2.72Å; D1860-R2025 IonicContact OD2-CZ 3.16Å; D1860-R2025 IonicContact OD2-NH1 3.63Å; D1860-R2025 IonicContact OD2-NH2 3.25Å; D1860-R2025 PolarHBondContact OD2-NH2 3.07Å; V1861-R2025 PolarHBondContact O-NH1 2.81Å; N1871-R2025 HydrophobicContact CB-CG 4.39Å; N1871-R2025 VanDerWaalsContact O-CZ 3.27Å; N1871-R2025 PolarHBondContact O-NE 3.24Å; N1871-R2025 PolarHBondContact O-NH2 2.92Å; P2023-R2025 VanDerWaalsContact C-N 3.27Å; P2023-R2025 HydrophobicContact CB-CG 4.12Å; P2023-R2025 HydrophobicContact CG-CG 4.22Å; P2023-R2025 PolarHBondContact O-N 2.9Å | ||
| 2026 | P | 67.3 | Low | 68 | Low | 65 Ų | 65 | 80 Ų | 80 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | trans | -50.1 | 145.4 | 171.3 | -25.1 | 31.3 | 0 | 0 | 0 | 111.8 | T2028 S2029 | P2026-T2028 WeakPolarHBondContact CB-OG1 3.47Å; P2026-T2028 PolarHBondContact O-N 3.31Å; P2026-S2029 WeakPolarHBondContact CD-OG 3.45Å; P2026-S2029 VanDerWaalsContact O-CB 3.28Å; P2026-S2029 WeakPolarHBondContact O-CB 3.42Å; P2026-S2029 PolarHBondContact O-N 3.11Å; P2026-S2029 PolarHBondContact O-OG 3.25Å; P2026-S2029 VanDerWaalsContact O-OG 3.04Å | ||
| 2027 | E | 60.5 | Low | 67 | Low | 92 Ų | 92 | 84.4 Ų | 84.4 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -3.5 | 175.7 | -65.6 | -160.2 | 122.5 | 0 | 0 | 113.5 | F2030 K2038 F2042 | E2027-F2030 HydrophobicContact CB-CE2 4.29Å; E2027-F2030 VanDerWaalsContact O-CD2 3.23Å; E2027-F2030 WeakPolarHBondContact O-CD2 3.2Å; E2027-K2038 IonicContact OE1-NZ 2.8Å; E2027-K2038 PolarHBondContact OE1-NZ 2.94Å; E2027-F2042 HydrophobicContact CB-CD2 4.5Å; E2027-F2042 HydrophobicContact CB-CE2 4.25Å; E2027-F2042 WeakPolarHBondContact OE2-CE2 3.31Å; E2027-F2042 WeakPolarHBondContact OE2-CZ 3.24Å |
| 2028 | T | 57.2 | Low | 65.7 | Low | 64 Ų | 64 | 85.8 Ų | 85.8 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.9 | 171.3 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | P2026 F2030 | P2026-T2028 WeakPolarHBondContact CB-OG1 3.47Å; P2026-T2028 PolarHBondContact O-N 3.31Å; T2028-F2030 PolarHBondContact O-N 3.41Å; T2028-F2030 VanDerWaalsContact O-N 3.11Å |
| 2029 | S | 54.6 | Low | 64.3 | Low | 10 Ų | 10 | 84.6 Ų | 84.6 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -77.3 | 15.3 | -178.3 | -48.8 | 0 | 0 | 0 | 0 | 114 | H1862 Y1863 P2026 | H1862-S2029 PolarHBondContact NE2-OG 3.34Å; Y1863-S2029 WeakPolarHBondContact O-CA 3.36Å; Y1863-S2029 WeakPolarHBondContact O-CB 3.36Å; P2026-S2029 WeakPolarHBondContact CD-OG 3.45Å; P2026-S2029 VanDerWaalsContact O-CB 3.28Å; P2026-S2029 WeakPolarHBondContact O-CB 3.42Å; P2026-S2029 PolarHBondContact O-N 3.11Å; P2026-S2029 PolarHBondContact O-OG 3.25Å; P2026-S2029 VanDerWaalsContact O-OG 3.04Å |
| 2030 | F | 55.8 | Low | 63.1 | Low | 78 Ų | 78 | 82.2 Ų | 82.2 | 34% | 0.342 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -100.6 | 136.6 | -179.4 | -63.6 | -72.8 | 0 | 0 | 0 | 112 | E2027 T2028 S2035 K2038 | E2027-F2030 HydrophobicContact CB-CE2 4.29Å; E2027-F2030 VanDerWaalsContact O-CD2 3.23Å; E2027-F2030 WeakPolarHBondContact O-CD2 3.2Å; T2028-F2030 PolarHBondContact O-N 3.41Å; T2028-F2030 VanDerWaalsContact O-N 3.11Å; F2030-S2035 VanDerWaalsContact CB-OG 3.25Å; F2030-S2035 WeakPolarHBondContact CB-OG 3.35Å; F2030-K2038 HydrophobicContact CD2-CD 4.44Å; F2030-K2038 HydrophobicContact CE2-CD 4.28Å |
| 2031 | L | 55.6 | Low | 61.6 | Low | 49 Ų | 49 | 88.5 Ų | 88.5 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | trans | -61.8 | 138.1 | 166.9 | -83.6 | 147.6 | 0 | 0 | 0 | 110.9 | Y1863 F2033 T2034 S2035 | Y1863-L2031 HydrophobicContact CD1-CD1 4Å; Y1863-L2031 HydrophobicContact CD1-CG 4.28Å; Y1863-L2031 HydrophobicContact CD2-CD1 3.92Å; Y1863-L2031 HydrophobicContact CE1-CD1 3.84Å; Y1863-L2031 HydrophobicContact CE2-CD1 3.71Å; Y1863-L2031 HydrophobicContact CG-CD1 4.07Å; Y1863-L2031 HydrophobicContact CG-CG 4.33Å; L2031-F2033 PolarHBondContact O-N 3.26Å; L2031-F2033 VanDerWaalsContact O-N 3.12Å; L2031-T2034 HydrophobicContact CB-CG2 4.05Å; L2031-T2034 PolarHBondContact O-N 2.98Å; L2031-T2034 PolarHBondContact O-OG1 3.1Å; L2031-S2035 PolarHBondContact O-N 3.02Å | ||
| 2032 | W | 52.1 | Low | 60.2 | Low | 150 Ų | 150 | 86.6 Ų | 86.6 | 57% | 0.568 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -43.4 | 178.9 | 174.6 | -58.3 | 0 | 0 | 0 | 112.4 | T2034 P2036 | W2032-T2034 VanDerWaalsContact C-N 3.33Å; W2032-T2034 PolarHBondContact O-N 3.5Å; W2032-P2036 WeakPolarHBondContact O-CA 3.46Å; W2032-P2036 WeakPolarHBondContact O-CD 3.45Å |
| 2033 | F | 54.3 | Low | 59 | Low | 190 Ų | 190 | 85.8 Ų | 85.8 | 83% | 0.833 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -23.7 | -175.9 | -76.9 | -78.2 | 0 | 0 | 0 | 113.8 | L2031 | L2031-F2033 PolarHBondContact O-N 3.26Å; L2031-F2033 VanDerWaalsContact O-N 3.12Å |
| 2034 | T | 53.6 | Low | 58 | Low | 97 Ų | 97 | 86.9 Ų | 86.9 | 60% | 0.595 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -26.2 | -177.4 | 63 | 0 | 0 | 0 | 0 | 113 | L2031 W2032 | L2031-T2034 HydrophobicContact CB-CG2 4.05Å; L2031-T2034 PolarHBondContact O-N 2.98Å; L2031-T2034 PolarHBondContact O-OG1 3.1Å; W2032-T2034 VanDerWaalsContact C-N 3.33Å; W2032-T2034 PolarHBondContact O-N 3.5Å |
| 2035 | S | 54.7 | Low | 57.2 | Low | 23 Ų | 23 | 83.2 Ų | 83.2 | 16% | 0.161 | 39% | 0.389 | C | S | . | . | trans | -152.8 | 63.1 | -179.9 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | F2030 L2031 W2037 K2038 T2039 | F2030-S2035 VanDerWaalsContact CB-OG 3.25Å; F2030-S2035 WeakPolarHBondContact CB-OG 3.35Å; L2031-S2035 PolarHBondContact O-N 3.02Å; S2035-W2037 PolarHBondContact O-N 2.92Å; S2035-K2038 PolarHBondContact O-N 2.85Å; S2035-T2039 PolarHBondContact O-N 3.09Å; S2035-T2039 VanDerWaalsContact O-N 3.13Å; S2035-T2039 PolarHBondContact O-OG1 3.34Å | ||
| 2036 | P | 51.4 | Low | 56.2 | Low | 66 Ų | 66 | 88.4 Ų | 88.4 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -55.1 | -33.1 | -172.3 | 18 | -30.5 | 0 | 0 | 0 | 113.8 | W2032 F2040 | W2032-P2036 WeakPolarHBondContact O-CA 3.46Å; W2032-P2036 WeakPolarHBondContact O-CD 3.45Å; P2036-F2040 VanDerWaalsContact O-CB 3.28Å; P2036-F2040 WeakPolarHBondContact O-CB 3.47Å; P2036-F2040 PolarHBondContact O-N 3.23Å |
| 2037 | W | 59 | Low | 55.7 | Low | 214 Ų | 214 | 94 Ų | 94 | 81% | 0.811 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.9 | -36.5 | 176.7 | -69.8 | 106 | 0 | 0 | 0 | 114.1 | S2035 K2041 | S2035-W2037 PolarHBondContact O-N 2.92Å; W2037-K2041 WeakPolarHBondContact O-CB 3.32Å; W2037-K2041 PolarHBondContact O-N 3.05Å |
| 2038 | K | 54.4 | Low | 55.8 | Low | 82 Ų | 82 | 94.2 Ų | 94.2 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72 | -43.9 | 175.7 | -73.3 | -164.8 | 178.4 | -164.2 | 0 | 110.1 | E2027 F2030 S2035 F2040 K2041 F2042 | E2027-K2038 IonicContact OE1-NZ 2.8Å; E2027-K2038 PolarHBondContact OE1-NZ 2.94Å; F2030-K2038 HydrophobicContact CD2-CD 4.44Å; F2030-K2038 HydrophobicContact CE2-CD 4.28Å; S2035-K2038 PolarHBondContact O-N 2.85Å; K2038-F2040 VanDerWaalsContact C-N 3.32Å; K2038-F2040 PolarHBondContact O-N 3.45Å; K2038-K2041 PolarHBondContact O-N 2.7Å; K2038-F2042 WeakPolarHBondContact O-CD2 2.87Å; K2038-F2042 PolarHBondContact O-N 2.86Å |
| 2039 | T | 52.8 | Low | 55.9 | Low | 13 Ų | 13 | 95.2 Ų | 95.2 | 8% | 0.08 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 173.7 | -44.3 | 0 | 0 | 0 | 0 | 110.9 | S2035 I2043 | S2035-T2039 PolarHBondContact O-N 3.09Å; S2035-T2039 VanDerWaalsContact O-N 3.13Å; S2035-T2039 PolarHBondContact O-OG1 3.34Å; T2039-I2043 HydrophobicContact CG2-CD1 3.74Å; T2039-I2043 HydrophobicContact CG2-CG1 4.47Å; T2039-I2043 VanDerWaalsContact O-CB 3.26Å; T2039-I2043 WeakPolarHBondContact O-CB 3.18Å; T2039-I2043 WeakPolarHBondContact O-CG1 3.45Å; T2039-I2043 PolarHBondContact O-N 2.89Å |
| 2040 | F | 58.9 | Low | 56.4 | Low | 70 Ų | 70 | 104 Ų | 104 | 31% | 0.307 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -60.4 | -48.3 | 174.6 | -176.1 | -95.7 | 0 | 0 | 0 | 112.1 | P2036 K2038 F2042 I2044 W2045 I2052 | P2036-F2040 VanDerWaalsContact O-CB 3.28Å; P2036-F2040 WeakPolarHBondContact O-CB 3.47Å; P2036-F2040 PolarHBondContact O-N 3.23Å; K2038-F2040 VanDerWaalsContact C-N 3.32Å; K2038-F2040 PolarHBondContact O-N 3.45Å; F2040-F2042 PolarHBondContact O-N 2.77Å; F2040-I2044 HydrophobicContact CB-CD1 4.48Å; F2040-I2044 HydrophobicContact CD2-CB 3.68Å; F2040-I2044 HydrophobicContact CD2-CD1 3.57Å; F2040-I2044 HydrophobicContact CD2-CG1 4.19Å; F2040-I2044 HydrophobicContact CD2-CG2 3.69Å; F2040-I2044 HydrophobicContact CE2-CB 3.99Å; F2040-I2044 HydrophobicContact CE2-CD1 4.27Å; F2040-I2044 HydrophobicContact CE2-CG2 3.45Å; F2040-I2044 VanDerWaalsContact CE2-CG2 3.45Å; F2040-I2044 HydrophobicContact CG-CB 4.21Å; F2040-I2044 HydrophobicContact CG-CD1 4.41Å; F2040-I2044 HydrophobicContact CZ-CG2 4.17Å; F2040-I2044 CarbonylContact O-C 3.43Å; F2040-I2044 WeakPolarHBondContact O-CA 3.41Å; F2040-I2044 WeakPolarHBondContact O-CB 3.45Å; F2040-I2044 PolarHBondContact O-N 3.43Å; F2040-W2045 AromaticContact CE1-CE3 3.65Å; F2040-W2045 HydrophobicContact CE1-CE3 3.65Å; F2040-W2045 HydrophobicContact CE1-CZ3 4.26Å; F2040-W2045 HydrophobicContact CZ-CE3 4.25Å; F2040-W2045 PolarHBondContact O-N 3.32Å; F2040-I2052 HydrophobicContact CE1-CD1 4.4Å; F2040-I2052 HydrophobicContact CE2-CD1 4.39Å; F2040-I2052 HydrophobicContact CZ-CD1 3.68Å |
| 2041 | K | 57.2 | Low | 57.1 | Low | 133 Ų | 133 | 104.8 Ų | 104.8 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | I | π-helix | trans | -62.5 | -42.9 | -179.4 | -174.9 | -177 | 178.2 | -174 | 0 | 113.2 | W2037 K2038 W2045 | W2037-K2041 WeakPolarHBondContact O-CB 3.32Å; W2037-K2041 PolarHBondContact O-N 3.05Å; K2038-K2041 PolarHBondContact O-N 2.7Å; K2041-W2045 WeakPolarHBondContact O-CB 3.44Å |
| 2042 | F | 53.6 | Low | 57.8 | Low | 70 Ų | 70 | 104.2 Ų | 104.2 | 31% | 0.307 | 47% | 0.471 | S | S | . | . | I | π-helix | trans | -89.3 | -25.5 | -172.6 | -74.3 | -72.5 | 0 | 0 | 0 | 113.9 | E2027 K2038 F2040 K2046 | E2027-F2042 HydrophobicContact CB-CD2 4.5Å; E2027-F2042 HydrophobicContact CB-CE2 4.25Å; E2027-F2042 WeakPolarHBondContact OE2-CE2 3.31Å; E2027-F2042 WeakPolarHBondContact OE2-CZ 3.24Å; K2038-F2042 WeakPolarHBondContact O-CD2 2.87Å; K2038-F2042 PolarHBondContact O-N 2.86Å; F2040-F2042 PolarHBondContact O-N 2.77Å; F2042-K2046 WeakPolarHBondContact O-CB 3.34Å |
| 2043 | I | 55.6 | Low | 58.8 | Low | 75 Ų | 75 | 100 Ų | 100 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | I | π-helix | trans | -107.4 | -57.1 | -177.2 | -52.3 | -177.7 | 0 | 0 | 0 | 110.7 | T2039 | T2039-I2043 HydrophobicContact CG2-CD1 3.74Å; T2039-I2043 HydrophobicContact CG2-CG1 4.47Å; T2039-I2043 VanDerWaalsContact O-CB 3.26Å; T2039-I2043 WeakPolarHBondContact O-CB 3.18Å; T2039-I2043 WeakPolarHBondContact O-CG1 3.45Å; T2039-I2043 PolarHBondContact O-N 2.89Å |
| 2044 | I | 58.8 | Low | 59.8 | Low | 45 Ų | 45 | 92.8 Ų | 92.8 | 23% | 0.231 | 44% | 0.438 | C | S | . | . | I | π-helix | trans | -76.3 | -51.4 | -172.8 | -63.5 | 168.6 | 0 | 0 | 0 | 111.2 | F2040 K2046 K2047 M2048 I2052 | F2040-I2044 HydrophobicContact CB-CD1 4.48Å; F2040-I2044 HydrophobicContact CD2-CB 3.68Å; F2040-I2044 HydrophobicContact CD2-CD1 3.57Å; F2040-I2044 HydrophobicContact CD2-CG1 4.19Å; F2040-I2044 HydrophobicContact CD2-CG2 3.69Å; F2040-I2044 HydrophobicContact CE2-CB 3.99Å; F2040-I2044 HydrophobicContact CE2-CD1 4.27Å; F2040-I2044 HydrophobicContact CE2-CG2 3.45Å; F2040-I2044 VanDerWaalsContact CE2-CG2 3.45Å; F2040-I2044 HydrophobicContact CG-CB 4.21Å; F2040-I2044 HydrophobicContact CG-CD1 4.41Å; F2040-I2044 HydrophobicContact CZ-CG2 4.17Å; F2040-I2044 CarbonylContact O-C 3.43Å; F2040-I2044 WeakPolarHBondContact O-CA 3.41Å; F2040-I2044 WeakPolarHBondContact O-CB 3.45Å; F2040-I2044 PolarHBondContact O-N 3.43Å; I2044-K2046 VanDerWaalsContact C-N 3.34Å; I2044-K2046 PolarHBondContact O-N 3.34Å; I2044-K2047 PolarHBondContact O-N 2.95Å; I2044-M2048 HydrophobicContact CG2-CB 4.46Å; I2044-M2048 HydrophobicContact CG2-CE 3.69Å; I2044-M2048 WeakPolarHBondContact O-CA 3.41Å; I2044-M2048 WeakPolarHBondContact O-CB 3.27Å; I2044-M2048 PolarHBondContact O-N 3.01Å; I2044-I2052 HydrophobicContact CG2-CD1 4.44Å |
| 2045 | W | 57.1 | Low | 61 | Low | 102 Ų | 102 | 93.4 Ų | 93.4 | 39% | 0.386 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | -178.8 | -168.8 | -92.1 | 0 | 0 | 0 | 111.4 | F2040 K2041 K2047 K2049 I2052 | F2040-W2045 AromaticContact CE1-CE3 3.65Å; F2040-W2045 HydrophobicContact CE1-CE3 3.65Å; F2040-W2045 HydrophobicContact CE1-CZ3 4.26Å; F2040-W2045 HydrophobicContact CZ-CE3 4.25Å; F2040-W2045 PolarHBondContact O-N 3.32Å; K2041-W2045 WeakPolarHBondContact O-CB 3.44Å; W2045-K2047 VanDerWaalsContact C-N 3.27Å; W2045-K2047 PolarHBondContact O-N 2.92Å; W2045-K2049 HydrophobicContact CD2-CB 4.42Å; W2045-K2049 HydrophobicContact CG-CB 4.42Å; W2045-K2049 WeakPolarHBondContact O-CA 3.47Å; W2045-K2049 VanDerWaalsContact O-CB 3.23Å; W2045-K2049 WeakPolarHBondContact O-CB 3.31Å; W2045-K2049 PolarHBondContact O-N 3.26Å; W2045-I2052 HydrophobicContact CE3-CD1 3.79Å; W2045-I2052 HydrophobicContact CH2-CG2 4.45Å; W2045-I2052 HydrophobicContact CZ3-CB 4.37Å; W2045-I2052 HydrophobicContact CZ3-CD1 4.18Å; W2045-I2052 HydrophobicContact CZ3-CG2 3.8Å |
| 2046 | K | 55.4 | Low | 62 | Low | 168 Ų | 168 | 96.7 Ų | 96.7 | 73% | 0.73 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.3 | -32.9 | -178.8 | -145.8 | -178.6 | -175 | -175.5 | 0 | 112.7 | F2042 I2044 | F2042-K2046 WeakPolarHBondContact O-CB 3.34Å; I2044-K2046 VanDerWaalsContact C-N 3.34Å; I2044-K2046 PolarHBondContact O-N 3.34Å |
| 2047 | K | 58.2 | Low | 63.3 | Low | 183 Ų | 183 | 98 Ų | 98 | 80% | 0.796 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -98.4 | -29.1 | 176.9 | -74.3 | -171.9 | 176.2 | 178.8 | 0 | 114.5 | I2044 W2045 | I2044-K2047 PolarHBondContact O-N 2.95Å; W2045-K2047 VanDerWaalsContact C-N 3.27Å; W2045-K2047 PolarHBondContact O-N 2.92Å |
| 2048 | M | 62.1 | Low | 64.3 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 47% | 0.473 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -112.8 | 9.9 | -173.8 | -58.6 | -145.8 | -64.9 | 0 | 0 | 115.3 | I2044 W2050 V2051 I2052 | I2044-M2048 HydrophobicContact CG2-CB 4.46Å; I2044-M2048 HydrophobicContact CG2-CE 3.69Å; I2044-M2048 WeakPolarHBondContact O-CA 3.41Å; I2044-M2048 WeakPolarHBondContact O-CB 3.27Å; I2044-M2048 PolarHBondContact O-N 3.01Å; M2048-W2050 PolarHBondContact O-N 3.38Å; M2048-W2050 VanDerWaalsContact O-N 3.09Å; M2048-V2051 PolarHBondContact O-N 2.85Å; M2048-I2052 HydrophobicContact CB-CD1 4.29Å; M2048-I2052 PolarHBondContact O-N 3.22Å; M2048-I2052 VanDerWaalsContact O-N 3.11Å |
| 2049 | K | 58.1 | Low | 65.5 | Low | 86 Ų | 86 | 97.1 Ų | 97.1 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -50.1 | -42.3 | -175.8 | 76.4 | 179.8 | -168.8 | 178.3 | 0 | 113.8 | W2045 I2052 I2053 | W2045-K2049 HydrophobicContact CD2-CB 4.42Å; W2045-K2049 HydrophobicContact CG-CB 4.42Å; W2045-K2049 WeakPolarHBondContact O-CA 3.47Å; W2045-K2049 VanDerWaalsContact O-CB 3.23Å; W2045-K2049 WeakPolarHBondContact O-CB 3.31Å; W2045-K2049 PolarHBondContact O-N 3.26Å; K2049-I2052 PolarHBondContact O-N 3.48Å; K2049-I2053 WeakPolarHBondContact O-CB 3.47Å; K2049-I2053 WeakPolarHBondContact O-CD1 3.5Å; K2049-I2053 WeakPolarHBondContact O-CG1 3.47Å; K2049-I2053 PolarHBondContact O-N 3.19Å |
| 2050 | W | 66.1 | Low | 66.7 | Low | 194 Ų | 194 | 101 Ų | 101 | 74% | 0.735 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.9 | -33 | -175.3 | -69.9 | 114.2 | 0 | 0 | 0 | 112.1 | M2048 G2054 | M2048-W2050 PolarHBondContact O-N 3.38Å; M2048-W2050 VanDerWaalsContact O-N 3.09Å; W2050-G2054 PolarHBondContact O-N 2.98Å |
| 2051 | V | 70.3 | Confident | 67.7 | Low | 94 Ų | 94 | 101.9 Ų | 101.9 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.4 | -43.7 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | M2048 G2054 L2055 | M2048-V2051 PolarHBondContact O-N 2.85Å; V2051-G2054 PolarHBondContact O-N 3.38Å; V2051-L2055 PolarHBondContact O-N 2.89Å; V2051-L2055 VanDerWaalsContact O-N 3.15Å |
| 2052 | I | 70.3 | Confident | 68.8 | Low | 37 Ų | 37 | 97.1 Ų | 97.1 | 19% | 0.19 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 179.8 | -60.6 | 161.3 | 0 | 0 | 0 | 111.3 | F2040 I2044 W2045 M2048 K2049 L2055 L2056 | F2040-I2052 HydrophobicContact CE1-CD1 4.4Å; F2040-I2052 HydrophobicContact CE2-CD1 4.39Å; F2040-I2052 HydrophobicContact CZ-CD1 3.68Å; I2044-I2052 HydrophobicContact CG2-CD1 4.44Å; W2045-I2052 HydrophobicContact CE3-CD1 3.79Å; W2045-I2052 HydrophobicContact CH2-CG2 4.45Å; W2045-I2052 HydrophobicContact CZ3-CB 4.37Å; W2045-I2052 HydrophobicContact CZ3-CD1 4.18Å; W2045-I2052 HydrophobicContact CZ3-CG2 3.8Å; M2048-I2052 HydrophobicContact CB-CD1 4.29Å; M2048-I2052 PolarHBondContact O-N 3.22Å; M2048-I2052 VanDerWaalsContact O-N 3.11Å; K2049-I2052 PolarHBondContact O-N 3.48Å; I2052-L2055 PolarHBondContact O-N 2.77Å; I2052-L2056 HydrophobicContact CG2-CD1 4.44Å; I2052-L2056 PolarHBondContact O-N 2.99Å; I2052-L2056 VanDerWaalsContact O-N 3.12Å |
| 2053 | I | 73 | Confident | 70.1 | Confident | 61 Ų | 61 | 98.9 Ų | 98.9 | 31% | 0.313 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177 | -68.3 | 165.1 | 0 | 0 | 0 | 110.8 | K2049 L2055 L2056 I2057 | K2049-I2053 WeakPolarHBondContact O-CB 3.47Å; K2049-I2053 WeakPolarHBondContact O-CD1 3.5Å; K2049-I2053 WeakPolarHBondContact O-CG1 3.47Å; K2049-I2053 PolarHBondContact O-N 3.19Å; I2053-L2055 VanDerWaalsContact C-N 3.32Å; I2053-L2055 PolarHBondContact O-N 2.78Å; I2053-L2056 PolarHBondContact O-N 3.08Å; I2053-I2057 HydrophobicContact CG2-CD1 3.88Å; I2053-I2057 HydrophobicContact CG2-CG1 4.44Å; I2053-I2057 WeakPolarHBondContact O-CG1 3.43Å; I2053-I2057 PolarHBondContact O-N 3.44Å |
| 2054 | G | 75.2 | Confident | 71.1 | Confident | 39 Ų | 39 | 100.4 Ų | 100.4 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | W2050 V2051 I2057 F2058 | W2050-G2054 PolarHBondContact O-N 2.98Å; V2051-G2054 PolarHBondContact O-N 3.38Å; G2054-I2057 PolarHBondContact O-N 2.8Å; G2054-F2058 WeakPolarHBondContact O-CB 3.44Å; G2054-F2058 PolarHBondContact O-N 2.89Å |
| 2055 | L | 78 | Confident | 72 | Confident | 110 Ų | 110 | 103 Ų | 103 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 176.6 | -119 | 157.3 | 0 | 0 | 0 | 112.6 | V2051 I2052 I2053 F2058 L2059 | V2051-L2055 PolarHBondContact O-N 2.89Å; V2051-L2055 VanDerWaalsContact O-N 3.15Å; I2052-L2055 PolarHBondContact O-N 2.77Å; I2053-L2055 VanDerWaalsContact C-N 3.32Å; I2053-L2055 PolarHBondContact O-N 2.78Å; L2055-F2058 PolarHBondContact O-N 2.81Å; L2055-L2059 PolarHBondContact O-N 2.86Å |
| 2056 | L | 77.2 | Confident | 73 | Confident | 93 Ų | 93 | 103 Ų | 103 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 176.6 | -101.4 | 155.4 | 0 | 0 | 0 | 112.6 | I2052 I2053 F2058 L2059 I2060 | I2052-L2056 HydrophobicContact CG2-CD1 4.44Å; I2052-L2056 PolarHBondContact O-N 2.99Å; I2052-L2056 VanDerWaalsContact O-N 3.12Å; I2053-L2056 PolarHBondContact O-N 3.08Å; L2056-F2058 VanDerWaalsContact C-N 3.32Å; L2056-F2058 PolarHBondContact O-N 3.32Å; L2056-L2059 PolarHBondContact O-N 3.21Å; L2056-I2060 WeakPolarHBondContact O-CG1 3.44Å; L2056-I2060 PolarHBondContact O-N 3.49Å |
| 2057 | I | 77.8 | Confident | 73.9 | Confident | 92 Ų | 92 | 99.5 Ų | 99.5 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.2 | -68 | 170.3 | 0 | 0 | 0 | 110.2 | I2053 G2054 L2059 I2060 I2061 | I2053-I2057 HydrophobicContact CG2-CD1 3.88Å; I2053-I2057 HydrophobicContact CG2-CG1 4.44Å; I2053-I2057 WeakPolarHBondContact O-CG1 3.43Å; I2053-I2057 PolarHBondContact O-N 3.44Å; G2054-I2057 PolarHBondContact O-N 2.8Å; I2057-L2059 VanDerWaalsContact C-N 3.33Å; I2057-L2059 PolarHBondContact O-N 2.96Å; I2057-I2060 PolarHBondContact O-N 3.14Å; I2057-I2061 HydrophobicContact CG2-CD1 3.8Å; I2057-I2061 HydrophobicContact CG2-CG1 4.42Å; I2057-I2061 WeakPolarHBondContact O-CG1 3.35Å; I2057-I2061 PolarHBondContact O-N 3.41Å |
| 2058 | F | 79.7 | Confident | 74.6 | Confident | 167 Ų | 167 | 97.6 Ų | 97.6 | 73% | 0.732 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 177.9 | -161.3 | -92.3 | 0 | 0 | 0 | 112 | G2054 L2055 L2056 I2061 G2062 | G2054-F2058 WeakPolarHBondContact O-CB 3.44Å; G2054-F2058 PolarHBondContact O-N 2.89Å; L2055-F2058 PolarHBondContact O-N 2.81Å; L2056-F2058 VanDerWaalsContact C-N 3.32Å; L2056-F2058 PolarHBondContact O-N 3.32Å; F2058-I2061 PolarHBondContact O-N 2.87Å; F2058-G2062 PolarHBondContact O-N 3.02Å |
| 2059 | L | 80.1 | Confident | 75 | Confident | 111 Ų | 111 | 97.4 Ų | 97.4 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 173.9 | -98.7 | 161.2 | 0 | 0 | 0 | 112.8 | L2055 L2056 I2057 G2062 L2063 | L2055-L2059 PolarHBondContact O-N 2.86Å; L2056-L2059 PolarHBondContact O-N 3.21Å; I2057-L2059 VanDerWaalsContact C-N 3.33Å; I2057-L2059 PolarHBondContact O-N 2.96Å; L2059-G2062 PolarHBondContact O-N 2.77Å; L2059-L2063 WeakPolarHBondContact O-CB 3.34Å; L2059-L2063 PolarHBondContact O-N 2.87Å |
| 2060 | I | 79.1 | Confident | 75.7 | Confident | 96 Ų | 96 | 102.3 Ų | 102.3 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 178.9 | -69.5 | 166.6 | 0 | 0 | 0 | 111.1 | L2056 I2057 G2062 L2063 L2064 | L2056-I2060 WeakPolarHBondContact O-CG1 3.44Å; L2056-I2060 PolarHBondContact O-N 3.49Å; I2057-I2060 PolarHBondContact O-N 3.14Å; I2060-G2062 VanDerWaalsContact C-N 3.34Å; I2060-L2063 PolarHBondContact O-N 3.17Å; I2060-L2064 HydrophobicContact CG2-CD1 4.14Å; I2060-L2064 WeakPolarHBondContact O-CB 3.31Å; I2060-L2064 PolarHBondContact O-N 2.65Å |
| 2061 | I | 78.8 | Confident | 75.6 | Confident | 88 Ų | 88 | 95 Ų | 95 | 45% | 0.451 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 175.7 | -68.3 | 170 | 0 | 0 | 0 | 110.1 | I2057 F2058 L2063 L2064 I2065 | I2057-I2061 HydrophobicContact CG2-CD1 3.8Å; I2057-I2061 HydrophobicContact CG2-CG1 4.42Å; I2057-I2061 WeakPolarHBondContact O-CG1 3.35Å; I2057-I2061 PolarHBondContact O-N 3.41Å; F2058-I2061 PolarHBondContact O-N 2.87Å; I2061-L2063 VanDerWaalsContact C-N 3.32Å; I2061-L2063 PolarHBondContact O-N 2.86Å; I2061-L2064 PolarHBondContact O-N 3.37Å; I2061-I2065 HydrophobicContact CG2-CD1 3.95Å; I2061-I2065 VanDerWaalsContact O-CG1 3.3Å; I2061-I2065 WeakPolarHBondContact O-CG1 3.45Å; I2061-I2065 PolarHBondContact O-N 2.91Å |
| 2062 | G | 81.4 | Confident | 75.5 | Confident | 32 Ų | 32 | 93.9 Ų | 93.9 | 33% | 0.33 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | F2058 L2059 I2060 I2065 V2066 | F2058-G2062 PolarHBondContact O-N 3.02Å; L2059-G2062 PolarHBondContact O-N 2.77Å; I2060-G2062 VanDerWaalsContact C-N 3.34Å; G2062-I2065 PolarHBondContact O-N 3.49Å; G2062-V2066 WeakPolarHBondContact O-CG2 3.49Å; G2062-V2066 PolarHBondContact O-N 3.44Å |
| 2063 | L | 79.2 | Confident | 75.1 | Confident | 107 Ų | 107 | 96 Ų | 96 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.8 | -37 | 179.8 | -150.6 | 149.4 | 0 | 0 | 0 | 112.1 | L2059 I2060 I2061 V2066 L2067 | L2059-L2063 WeakPolarHBondContact O-CB 3.34Å; L2059-L2063 PolarHBondContact O-N 2.87Å; I2060-L2063 PolarHBondContact O-N 3.17Å; I2061-L2063 VanDerWaalsContact C-N 3.32Å; I2061-L2063 PolarHBondContact O-N 2.86Å; L2063-V2066 PolarHBondContact O-N 3.09Å; L2063-L2067 HydrophobicContact CD2-CD1 3.59Å; L2063-L2067 HydrophobicContact CD2-CG 4.2Å; L2063-L2067 WeakPolarHBondContact O-CB 3.29Å; L2063-L2067 PolarHBondContact O-N 3.47Å |
| 2064 | L | 77.6 | Confident | 74.3 | Confident | 107 Ų | 107 | 96.9 Ų | 96.9 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 171.8 | -89.2 | 164.6 | 0 | 0 | 0 | 112.3 | I2060 I2061 L2067 F2068 | I2060-L2064 HydrophobicContact CG2-CD1 4.14Å; I2060-L2064 WeakPolarHBondContact O-CB 3.31Å; I2060-L2064 PolarHBondContact O-N 2.65Å; I2061-L2064 PolarHBondContact O-N 3.37Å; L2064-L2067 PolarHBondContact O-N 3.41Å; L2064-F2068 WeakPolarHBondContact O-CB 3.04Å; L2064-F2068 PolarHBondContact O-N 2.87Å |
| 2065 | I | 77.5 | Confident | 73.5 | Confident | 101 Ų | 101 | 100.9 Ų | 100.9 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 175.3 | -68.7 | 166.2 | 0 | 0 | 0 | 110.1 | I2061 G2062 F2068 V2069 | I2061-I2065 HydrophobicContact CG2-CD1 3.95Å; I2061-I2065 VanDerWaalsContact O-CG1 3.3Å; I2061-I2065 WeakPolarHBondContact O-CG1 3.45Å; I2061-I2065 PolarHBondContact O-N 2.91Å; G2062-I2065 PolarHBondContact O-N 3.49Å; I2065-F2068 PolarHBondContact O-N 3.4Å; I2065-V2069 VanDerWaalsContact O-CG2 3.31Å; I2065-V2069 WeakPolarHBondContact O-CG2 3.36Å; I2065-V2069 PolarHBondContact O-N 2.7Å |
| 2066 | V | 78.8 | Confident | 72.6 | Confident | 101 Ų | 101 | 100.7 Ų | 100.7 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111.3 | G2062 L2063 F2068 V2069 Y2070 | G2062-V2066 WeakPolarHBondContact O-CG2 3.49Å; G2062-V2066 PolarHBondContact O-N 3.44Å; L2063-V2066 PolarHBondContact O-N 3.09Å; V2066-F2068 VanDerWaalsContact C-N 3.33Å; V2066-F2068 PolarHBondContact O-N 3.08Å; V2066-V2069 PolarHBondContact O-N 2.75Å; V2066-Y2070 VanDerWaalsContact O-CB 3.29Å; V2066-Y2070 WeakPolarHBondContact O-CB 3.49Å; V2066-Y2070 PolarHBondContact O-N 3.5Å |
| 2067 | L | 73.5 | Confident | 71.7 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 175 | -84.9 | 166.1 | 0 | 0 | 0 | 112.4 | L2063 L2064 Y2070 A2071 | L2063-L2067 HydrophobicContact CD2-CD1 3.59Å; L2063-L2067 HydrophobicContact CD2-CG 4.2Å; L2063-L2067 WeakPolarHBondContact O-CB 3.29Å; L2063-L2067 PolarHBondContact O-N 3.47Å; L2064-L2067 PolarHBondContact O-N 3.41Å; L2067-Y2070 PolarHBondContact O-N 2.74Å; L2067-A2071 VanDerWaalsContact O-CB 3.31Å; L2067-A2071 WeakPolarHBondContact O-CB 3.4Å; L2067-A2071 PolarHBondContact O-N 2.86Å |
| 2068 | F | 72.7 | Confident | 70.7 | Confident | 143 Ų | 143 | 104.4 Ų | 104.4 | 63% | 0.627 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.1 | -46.1 | 178.1 | -174.6 | -102.1 | 0 | 0 | 0 | 111.4 | L2064 I2065 V2066 Y2070 A2071 I2072 | L2064-F2068 WeakPolarHBondContact O-CB 3.04Å; L2064-F2068 PolarHBondContact O-N 2.87Å; I2065-F2068 PolarHBondContact O-N 3.4Å; V2066-F2068 VanDerWaalsContact C-N 3.33Å; V2066-F2068 PolarHBondContact O-N 3.08Å; F2068-Y2070 VanDerWaalsContact C-N 3.28Å; F2068-Y2070 PolarHBondContact O-N 2.95Å; F2068-A2071 PolarHBondContact O-N 3.3Å; F2068-I2072 HydrophobicContact CD1-CD1 3.92Å; F2068-I2072 HydrophobicContact CE1-CD1 3.66Å; F2068-I2072 HydrophobicContact CE1-CG1 4.33Å; F2068-I2072 HydrophobicContact CZ-CD1 4.31Å; F2068-I2072 WeakPolarHBondContact O-CG1 3.4Å; F2068-I2072 PolarHBondContact O-N 2.93Å |
| 2069 | V | 70.8 | Confident | 69.6 | Low | 93 Ų | 93 | 105.9 Ų | 105.9 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -37.5 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | I2065 V2066 | I2065-V2069 VanDerWaalsContact O-CG2 3.31Å; I2065-V2069 WeakPolarHBondContact O-CG2 3.36Å; I2065-V2069 PolarHBondContact O-N 2.7Å; V2066-V2069 PolarHBondContact O-N 2.75Å |
| 2070 | Y | 72 | Confident | 68.4 | Low | 189 Ų | 189 | 108.4 Ų | 108.4 | 74% | 0.741 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68 | -33.8 | 176.4 | -171.5 | -98.8 | 0 | 0 | 0 | 113.2 | V2066 L2067 F2068 | V2066-Y2070 VanDerWaalsContact O-CB 3.29Å; V2066-Y2070 WeakPolarHBondContact O-CB 3.49Å; V2066-Y2070 PolarHBondContact O-N 3.5Å; L2067-Y2070 PolarHBondContact O-N 2.74Å; F2068-Y2070 VanDerWaalsContact C-N 3.28Å; F2068-Y2070 PolarHBondContact O-N 2.95Å |
| 2071 | A | 65.5 | Low | 67.1 | Low | 41 Ų | 41 | 108.5 Ų | 108.5 | 34% | 0.339 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -83.4 | -15.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L2067 F2068 P2074 | L2067-A2071 VanDerWaalsContact O-CB 3.31Å; L2067-A2071 WeakPolarHBondContact O-CB 3.4Å; L2067-A2071 PolarHBondContact O-N 2.86Å; F2068-A2071 PolarHBondContact O-N 3.3Å; A2071-P2074 WeakPolarHBondContact O-CD 3.41Å |
| 2072 | I | 67.8 | Low | 65.4 | Low | 70 Ų | 70 | 108.5 Ų | 108.5 | 36% | 0.359 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.6 | -48.3 | -176.9 | -84.4 | 169.7 | 0 | 0 | 0 | 113.7 | F2068 L2075 L2076 | F2068-I2072 HydrophobicContact CD1-CD1 3.92Å; F2068-I2072 HydrophobicContact CE1-CD1 3.66Å; F2068-I2072 HydrophobicContact CE1-CG1 4.33Å; F2068-I2072 HydrophobicContact CZ-CD1 4.31Å; F2068-I2072 WeakPolarHBondContact O-CG1 3.4Å; F2068-I2072 PolarHBondContact O-N 2.93Å; I2072-L2075 PolarHBondContact O-N 3.49Å; I2072-L2076 HydrophobicContact CG2-CD1 3.57Å; I2072-L2076 PolarHBondContact O-N 3.4Å |
| 2073 | P | 61.8 | Low | 63.4 | Low | 80 Ų | 80 | 115.1 Ų | 115.1 | 52% | 0.519 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.3 | -44 | -173 | -17.9 | 28.9 | 0 | 0 | 0 | 114.3 | L2075 L2076 A2077 | P2073-L2075 VanDerWaalsContact C-N 3.34Å; P2073-L2075 PolarHBondContact O-N 2.91Å; P2073-L2076 PolarHBondContact O-N 3.34Å; P2073-A2077 WeakPolarHBondContact O-CB 3.33Å; P2073-A2077 PolarHBondContact O-N 2.92Å |
| 2074 | P | 55.2 | Low | 62.6 | Low | 80 Ų | 80 | 115.5 Ų | 115.5 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.3 | -35.7 | 178 | -19.6 | 30.3 | 0 | 0 | 0 | 113.2 | A2071 A2077 R2078 | A2071-P2074 WeakPolarHBondContact O-CD 3.41Å; P2074-A2077 PolarHBondContact O-N 3.46Å; P2074-R2078 PolarHBondContact O-N 3.06Å |
| 2075 | L | 58.2 | Low | 61.9 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.4 | -37.3 | 177.6 | -94.2 | 155.5 | 0 | 0 | 0 | 112 | I2072 P2073 K2079 | I2072-L2075 PolarHBondContact O-N 3.49Å; P2073-L2075 VanDerWaalsContact C-N 3.34Å; P2073-L2075 PolarHBondContact O-N 2.91Å; L2075-K2079 PolarHBondContact O-N 3.5Å |
| 2076 | L | 60.5 | Low | 61 | Low | 105 Ų | 105 | 116.8 Ų | 116.8 | 55% | 0.55 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.4 | -40.2 | 172.9 | -80 | 165 | 0 | 0 | 0 | 111.8 | I2072 P2073 K2079 M2080 | I2072-L2076 HydrophobicContact CG2-CD1 3.57Å; I2072-L2076 PolarHBondContact O-N 3.4Å; P2073-L2076 PolarHBondContact O-N 3.34Å; L2076-K2079 PolarHBondContact O-N 3.11Å; L2076-M2080 PolarHBondContact O-N 3.44Å |
| 2077 | A | 58.4 | Low | 59.9 | Low | 60 Ų | 60 | 117.7 Ų | 117.7 | 50% | 0.496 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.6 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P2073 P2074 K2079 M2080 V2081 | P2073-A2077 WeakPolarHBondContact O-CB 3.33Å; P2073-A2077 PolarHBondContact O-N 2.92Å; P2074-A2077 PolarHBondContact O-N 3.46Å; A2077-K2079 VanDerWaalsContact C-N 3.29Å; A2077-K2079 PolarHBondContact O-N 2.71Å; A2077-M2080 PolarHBondContact O-N 2.88Å; A2077-V2081 PolarHBondContact O-N 2.93Å |
| 2078 | R | 56.3 | Low | 59.1 | Low | 203 Ų | 203 | 119.2 Ų | 119.2 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.6 | -26.1 | 177.8 | -94.7 | -176.8 | 172.7 | 167.5 | -0.2 | 114.1 | P2074 | P2074-R2078 PolarHBondContact O-N 3.06Å |
| 2079 | K | 56 | Low | 58.2 | Low | 198 Ų | 198 | 117.6 Ų | 117.6 | 86% | 0.861 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -86.1 | -23.9 | 179.1 | -135.9 | -179.6 | -175.5 | -177.5 | 0 | 113.1 | L2075 L2076 A2077 | L2075-K2079 PolarHBondContact O-N 3.5Å; L2076-K2079 PolarHBondContact O-N 3.11Å; A2077-K2079 VanDerWaalsContact C-N 3.29Å; A2077-K2079 PolarHBondContact O-N 2.71Å |
| 2080 | M | 55.1 | Low | 57.3 | Low | 165 Ų | 165 | 119.4 Ų | 119.4 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -87.7 | -31.3 | 178.8 | -78.5 | -169.2 | 73.6 | 0 | 0 | 114 | L2076 A2077 | L2076-M2080 PolarHBondContact O-N 3.44Å; A2077-M2080 PolarHBondContact O-N 2.88Å |
| 2081 | V | 52.2 | Low | 56.2 | Low | 98 Ų | 98 | 114 Ų | 114 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -110.3 | 104 | 175.5 | -169.3 | 0 | 0 | 0 | 0 | 105.7 | A2077 V2083 | A2077-V2081 PolarHBondContact O-N 2.93Å; V2081-V2083 HydrophobicContact CG1-CG2 4.34Å; V2081-V2083 PolarHBondContact O-N 3Å |
| 2082 | G | 42.5 | Very low | 55.4 | Low | 87 Ų | 87 | 120.1 Ų | 120.1 | 90% | 0.897 | 67% | 0.672 | S | S | * | * | trans | -67.5 | 62.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2083 | V | 40.6 | Very low | 54.2 | Low | 171 Ų | 171 | 124.6 Ų | 124.6 | 100% | 1.036 | 70% | 0.7 | S | S | * | * | trans | -128.7 | 0 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | V2081 | V2081-V2083 HydrophobicContact CG1-CG2 4.34Å; V2081-V2083 PolarHBondContact O-N 3Å |
Retrieved 2,083 of 2,083 residues in 691.6 ms
(Link to these results)