| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59.9 | Low | 86.8 | Confident | 140 Ų | 140 | 35.3 Ų | 35.3 | 69% | 0.69 | 16% | 0.162 | S | C | * | . | 0 | 154.6 | 0 | -164.2 | 172.6 | -84.3 | 0 | 0 | 106.7 | D56 | M1-D56 HydrophobicContact SD-CB 4.39Š| |||
| 2 | Y | 77.8 | Confident | 87 | Confident | 75 Ų | 75 | 35.2 Ų | 35.2 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | trans | -93.4 | 119.9 | 167.9 | -72.8 | -72.1 | 0 | 0 | 0 | 107.6 | L57 G59 Y125 E126 F127 P128 | Y2-L57 WeakPolarHBondContact O-CB 3.4Å; Y2-L57 PolarHBondContact O-N 3.33Å; Y2-G59 WeakPolarHBondContact CD2-O 3.34Å; Y2-Y125 HydrophobicContact CD1-CE2 4.04Å; Y2-Y125 AromaticContact CD1-CZ 3.75Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.24Å; Y2-E126 WeakPolarHBondContact CA-O 3.42Å; Y2-F127 HydrophobicContact CD1-CB 4.5Å; Y2-F127 HydrophobicContact CE1-CB 4.2Å; Y2-P128 HydrophobicContact CD1-CG 4.48Å; Y2-P128 HydrophobicContact CD2-CG 4.22Å; Y2-P128 VanDerWaalsContact CE1-CD 3.47Å; Y2-P128 HydrophobicContact CE1-CG 4.35Å; Y2-P128 HydrophobicContact CE2-CG 4.05Å; Y2-P128 HydrophobicContact CG-CG 4.43Å | ||
| 3 | A | 84.3 | Confident | 87.1 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | I54 I55 Y125 E126 | A3-I54 HydrophobicContact CB-CG2 4.03Å; A3-I55 WeakPolarHBondContact CA-O 3.25Å; A3-Y125 WeakPolarHBondContact O-CD2 3.33Å; A3-E126 HydrophobicContact CB-CB 4.4Å; A3-E126 PolarHBondContact N-O 2.88Å; A3-E126 PolarHBondContact O-N 3Å |
| 4 | L | 88.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.6 | 168.7 | 176.1 | 63.1 | 0 | 0 | 0 | 108.6 | V6 F31 I55 L57 L62 L91 | L4-V6 HydrophobicContact CD2-CG2 4.21Å; L4-V6 HydrophobicContact CG-CG2 3.95Å; L4-F31 HydrophobicContact CD2-CD2 4.45Å; L4-I55 HydrophobicContact CB-CB 4.38Å; L4-I55 PolarHBondContact N-O 2.79Å; L4-I55 PolarHBondContact O-N 3.47Å; L4-L57 HydrophobicContact CB-CD1 4.37Å; L4-L57 HydrophobicContact CB-CD2 4.37Å; L4-L62 HydrophobicContact CD1-CD1 4.19Å; L4-L91 HydrophobicContact CD2-CD1 3.76Å; L4-L91 HydrophobicContact CD2-CD2 4.39Å |
| 5 | H | 89.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.8 | 174.5 | -64.7 | -118.7 | 0 | 0 | 0 | 108.5 | E52 L123 R124 E126 | H5-E52 IonicContact CE1-OE1 2.98Å; H5-E52 IonicContact CG-OE1 2.69Å; H5-E52 IonicContact ND1-OE1 3.48Å; H5-E52 PolarHBondContact ND1-OE1 3.23Å; H5-L123 WeakPolarHBondContact O-CA 3.18Å; H5-R124 HydrophobicContact CB-CB 4.15Å; H5-R124 WeakPolarHBondContact CB-O 3.36Å; H5-R124 PolarHBondContact N-O 2.9Å; H5-R124 PolarHBondContact O-N 3.36Å; H5-E126 IonicContact NE2-OE2 3.87Å |
| 6 | V | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 94.4 | 178.6 | -173.5 | 0 | 0 | 0 | 0 | 107.8 | L4 V8 V29 I53 I55 L123 | L4-V6 HydrophobicContact CD2-CG2 4.21Å; L4-V6 HydrophobicContact CG-CG2 3.95Å; V6-V8 HydrophobicContact CG1-CG2 4.16Å; V6-V8 PolarHBondContact O-N 3.38Å; V6-V29 HydrophobicContact CB-CG1 4.38Å; V6-V29 HydrophobicContact CG1-CG1 4.11Å; V6-V29 HydrophobicContact CG1-CG2 4.09Å; V6-V29 HydrophobicContact CG2-CG1 4.15Å; V6-I53 HydrophobicContact CB-CB 4.39Å; V6-I53 PolarHBondContact N-O 2.77Å; V6-I53 PolarHBondContact O-N 3.36Å; V6-I55 HydrophobicContact CG2-CD1 4.11Å; V6-L123 HydrophobicContact CB-CD2 4.06Å; V6-L123 HydrophobicContact CG1-CD2 3.79Å; V6-L123 HydrophobicContact CG2-CD2 3.77Å |
| 7 | N | 92.5 | Very high | 86.2 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 108.2 | 171.3 | 178.5 | -26.2 | 0 | 0 | 0 | 109 | K9 D50 L121 S122 | N7-K9 PolarHBondContact O-N 2.94Å; N7-K9 VanDerWaalsContact OD1-CG 3.29Å; N7-K9 WeakPolarHBondContact OD1-CG 3.43Å; N7-D50 PolarHBondContact ND2-OD1 3.17Å; N7-D50 PolarHBondContact OD1-OD1 3.06Å; N7-L121 CarbonylContact O-C 3.58Å; N7-L121 WeakPolarHBondContact O-CA 3.22Å; N7-L121 WeakPolarHBondContact O-CB 3.38Å; N7-S122 PolarHBondContact N-O 3.42Å; N7-S122 PolarHBondContact O-N 3.06Å |
| 8 | V | 93.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 106.2 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | V6 V27 V29 T38 W49 D50 E51 I53 I119 | V6-V8 HydrophobicContact CG1-CG2 4.16Å; V6-V8 PolarHBondContact O-N 3.38Å; V8-V27 HydrophobicContact CG1-CB 4.03Å; V8-V27 HydrophobicContact CG1-CG1 4.14Å; V8-V27 HydrophobicContact CG1-CG2 3.77Å; V8-V27 HydrophobicContact CG2-CG1 4.4Å; V8-V29 HydrophobicContact CG2-CG2 3.92Å; V8-T38 HydrophobicContact CB-CG2 3.93Å; V8-T38 HydrophobicContact CG1-CG2 4.13Å; V8-T38 HydrophobicContact CG2-CG2 4.13Å; V8-W49 HydrophobicContact CG1-CD2 4.38Å; V8-W49 HydrophobicContact CG1-CE3 3.8Å; V8-W49 HydrophobicContact CG1-CZ3 4.34Å; V8-D50 WeakPolarHBondContact O-CA 3.31Å; V8-D50 PolarHBondContact O-N 3.36Å; V8-E51 PolarHBondContact N-O 2.74Å; V8-E51 PolarHBondContact O-N 3.05Å; V8-E51 VanDerWaalsContact O-N 3.11Å; V8-I53 HydrophobicContact CG2-CD1 4.42Å; V8-I119 HydrophobicContact CG1-CD1 4.37Å |
| 9 | K | 90.7 | Very high | 84.8 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 30% | 0.296 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -65.4 | -171.6 | -66 | -176.4 | 175.8 | 173.7 | 0 | 111.9 | N7 V48 W49 D50 E100 E120 S122 | N7-K9 PolarHBondContact O-N 2.94Å; N7-K9 VanDerWaalsContact OD1-CG 3.29Å; N7-K9 WeakPolarHBondContact OD1-CG 3.43Å; K9-V48 CarbonylContact O-C 3.59Å; K9-W49 PolarHBondContact O-N 3.29Å; K9-D50 PolarHBondContact O-N 2.87Å; K9-E100 IonicContact NZ-OE2 3.43Å; K9-E120 WeakPolarHBondContact CA-O 3.36Å; K9-E120 WeakPolarHBondContact CB-O 3.5Å; K9-E120 PolarHBondContact N-O 2.99Å; K9-S122 WeakPolarHBondContact CE-OG 3.38Å; K9-S122 PolarHBondContact NZ-OG 3.12Å |
| 10 | K | 92.3 | Very high | 83.9 | Confident | 58 Ų | 58 | 55.8 Ų | 55.8 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 162.7 | -177.3 | 60.4 | 175.9 | 173.7 | 114 | 0 | 113 | N12 P47 V48 E120 | K10-N12 PolarHBondContact NZ-OD1 3.19Å; K10-P47 CarbonylContact C-O 3.59Å; K10-P47 WeakPolarHBondContact CA-O 3.05Å; K10-P47 WeakPolarHBondContact CB-O 3.42Å; K10-V48 HydrophobicContact CB-CB 4.27Å; K10-V48 HydrophobicContact CB-CG1 4.38Å; K10-V48 HydrophobicContact CB-CG2 3.95Å; K10-V48 HydrophobicContact CD-CG2 4.38Å; K10-E120 WeakPolarHBondContact CE-OE1 3.47Å; K10-E120 WeakPolarHBondContact CE-OE2 3.44Å; K10-E120 HydrophobicContact CG-CB 4.12Å; K10-E120 PolarHBondContact N-O 2.95Å; K10-E120 VanDerWaalsContact N-O 3.17Å; K10-E120 IonicContact NZ-OE1 3.55Å; K10-E120 PolarHBondContact NZ-OE1 3.44Å; K10-E120 IonicContact NZ-OE2 2.73Å; K10-E120 PolarHBondContact NZ-OE2 2.99Å; K10-E120 PolarHBondContact O-N 2.93Å |
| 11 | A | 92.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 152.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L14 N46 P47 W49 T118 I119 | A11-L14 HydrophobicContact CB-CD1 3.98Å; A11-L14 HydrophobicContact CB-CD2 3.94Å; A11-L14 HydrophobicContact CB-CG 3.92Å; A11-N46 CarbonylContact O-C 3.57Å; A11-N46 WeakPolarHBondContact O-CA 3.14Å; A11-P47 HydrophobicContact CB-CG 4.13Å; A11-P47 PolarHBondContact N-O 3.23Å; A11-W49 HydrophobicContact CB-CH2 3.88Å; A11-W49 HydrophobicContact CB-CZ3 3.72Å; A11-T118 CarbonylContact C-O 3.6Å; A11-T118 WeakPolarHBondContact CA-O 3.32Å; A11-T118 WeakPolarHBondContact CB-O 3.48Å; A11-I119 HydrophobicContact CB-CB 4.48Å; A11-I119 HydrophobicContact CB-CG1 4.48Å |
| 12 | N | 89 | Confident | 84.6 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.9 | 175.7 | -40 | -84.6 | 0 | 0 | 0 | 109.7 | K10 L14 N46 S117 T118 E120 | K10-N12 PolarHBondContact NZ-OD1 3.19Å; N12-L14 VanDerWaalsContact C-N 3.34Å; N12-L14 PolarHBondContact O-N 3.43Å; N12-N46 WeakPolarHBondContact CA-OD1 3.1Å; N12-S117 WeakPolarHBondContact O-CA 3.47Å; N12-T118 PolarHBondContact N-O 3.47Å; N12-T118 PolarHBondContact ND2-OG1 3.07Å; N12-T118 VanDerWaalsContact ND2-OG1 3.14Å; N12-T118 PolarHBondContact O-N 3.27Å; N12-E120 PolarHBondContact ND2-OE1 3.38Å; N12-E120 VanDerWaalsContact ND2-OE1 3.12Å |
| 13 | N | 88.4 | Confident | 85.1 | Confident | 102 Ų | 102 | 49.8 Ų | 49.8 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 53 | 41.6 | 177.7 | -63.1 | -29 | 0 | 0 | 0 | 114.5 | N46 M116 S117 | N13-N46 PolarHBondContact N-OD1 2.95Å; N13-M116 WeakPolarHBondContact CB-O 3.49Å; N13-S117 WeakPolarHBondContact O-CB 3.4Å; N13-S117 PolarHBondContact O-OG 2.84Å |
| 14 | L | 88.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 139.1 | 172.2 | -67.2 | 178.1 | 0 | 0 | 0 | 110.6 | A11 N12 N16 P25 L45 P47 V72 M84 L107 | A11-L14 HydrophobicContact CB-CD1 3.98Å; A11-L14 HydrophobicContact CB-CD2 3.94Å; A11-L14 HydrophobicContact CB-CG 3.92Å; N12-L14 VanDerWaalsContact C-N 3.34Å; N12-L14 PolarHBondContact O-N 3.43Å; L14-N16 PolarHBondContact O-N 2.98Å; L14-P25 HydrophobicContact CD1-CB 3.63Å; L14-P25 HydrophobicContact CD1-CG 3.75Å; L14-L45 WeakPolarHBondContact CB-O 3.43Å; L14-L45 PolarHBondContact N-O 2.95Å; L14-P47 HydrophobicContact CD1-CG 3.61Å; L14-V72 HydrophobicContact CD1-CG1 3.94Å; L14-V72 HydrophobicContact CD2-CB 4.46Å; L14-V72 HydrophobicContact CD2-CG1 3.9Å; L14-M84 HydrophobicContact CB-CE 3.9Å; L14-M84 HydrophobicContact CD1-CE 4.35Å; L14-M84 HydrophobicContact CD1-SD 4.37Å; L14-L107 HydrophobicContact CD2-CD1 3.8Å |
| 15 | K | 79.9 | Confident | 85.6 | Confident | 148 Ų | 148 | 50.9 Ų | 50.9 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 121.4 | 175.7 | -179 | -173.9 | 176.7 | -174.8 | 0 | 109.4 | I17 M84 | K15-I17 HydrophobicContact CD-CG2 3.85Å; K15-I17 HydrophobicContact CG-CG2 3.95Å; K15-I17 PolarHBondContact O-N 3.09Å; K15-M84 WeakPolarHBondContact O-CE 3.27Å |
| 16 | N | 83.1 | Confident | 85.8 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 124.2 | 166.8 | -164.3 | 10.7 | 0 | 0 | 0 | 109.6 | L14 E18 G21 K22 S23 L45 | L14-N16 PolarHBondContact O-N 2.98Å; N16-E18 PolarHBondContact OD1-N 3.27Å; N16-G21 PolarHBondContact ND2-O 3.49Å; N16-K22 WeakPolarHBondContact OD1-CA 3.27Å; N16-S23 PolarHBondContact OD1-N 3.23Å; N16-S23 PolarHBondContact OD1-OG 3.2Å; N16-L45 HydrophobicContact CB-CD1 3.87Å; N16-L45 HydrophobicContact CB-CD2 3.95Å |
| 17 | I | 81.7 | Confident | 86 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 22% | 0.221 | 27% | 0.268 | C | S | . | . | trans | -118.6 | 1.1 | 175.5 | 61.5 | -176.5 | 0 | 0 | 0 | 113.2 | K15 S23 D74 K82 M84 | K15-I17 HydrophobicContact CD-CG2 3.85Å; K15-I17 HydrophobicContact CG-CG2 3.95Å; K15-I17 PolarHBondContact O-N 3.09Å; I17-S23 PolarHBondContact N-OG 3.39Å; I17-S23 VanDerWaalsContact N-OG 3.09Å; I17-D74 HydrophobicContact CD1-CB 3.86Å; I17-D74 HydrophobicContact CG1-CB 4.08Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.38Å; I17-K82 HydrophobicContact CD1-CB 3.45Å; I17-K82 VanDerWaalsContact CD1-CB 3.45Å; I17-K82 HydrophobicContact CD1-CD 4.33Å; I17-K82 HydrophobicContact CG1-CB 4.31Å; I17-K82 HydrophobicContact CG1-CD 4.36Å; I17-M84 HydrophobicContact CD1-CG 3.85Å | ||
| 18 | E | 73.7 | Confident | 86.1 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | trans | -80.2 | 145.2 | 169 | -75.3 | -43.5 | 114 | 0 | 0 | 113.8 | N16 K82 | N16-E18 PolarHBondContact OD1-N 3.27Å; E18-K82 IonicContact OE1-NZ 3.69Å; E18-K82 PolarHBondContact OE1-NZ 3.37Å; E18-K82 IonicContact OE2-NZ 3.95Å; E18-K82 PolarHBondContact OE2-NZ 2.89Å | ||
| 19 | I | 71.6 | Confident | 86.2 | Confident | 173 Ų | 173 | 50.8 Ų | 50.8 | 89% | 0.887 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -80.5 | -28 | 179 | -60.7 | 173.6 | 0 | 0 | 0 | 110.9 | ||
| 20 | S | 68.2 | Low | 86.3 | Confident | 112 Ų | 112 | 48.7 Ų | 48.7 | 78% | 0.783 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -145.3 | 109.2 | -179.1 | 169.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 21 | G | 75.8 | Confident | 86.2 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 46% | 0.464 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 111.9 | -167.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N16 | N16-G21 PolarHBondContact ND2-O 3.49Š|
| 22 | K | 82 | Confident | 85.7 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | trans | -105.7 | 161.1 | 160 | -66.1 | 159.7 | 174 | 177.2 | 0 | 108.8 | N16 D43 L45 | N16-K22 WeakPolarHBondContact OD1-CA 3.27Å; K22-D43 WeakPolarHBondContact CD-O 3.33Å; K22-D43 PolarHBondContact N-OD1 3.22Å; K22-D43 PolarHBondContact NZ-O 3.44Å; K22-L45 HydrophobicContact CB-CD2 4.19Å; K22-L45 HydrophobicContact CB-CG 4.15Å; K22-L45 HydrophobicContact CD-CG 4.31Å; K22-L45 HydrophobicContact CG-CD1 4.19Å; K22-L45 HydrophobicContact CG-CG 4.12Å | ||
| 23 | S | 87.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -52.9 | 148 | 166.3 | -65.5 | 0 | 0 | 0 | 0 | 112.9 | N16 I17 P25 D44 D74 M84 | N16-S23 PolarHBondContact OD1-N 3.23Å; N16-S23 PolarHBondContact OD1-OG 3.2Å; I17-S23 PolarHBondContact N-OG 3.39Å; I17-S23 VanDerWaalsContact N-OG 3.09Å; S23-P25 WeakPolarHBondContact O-CD 3.43Å; S23-D44 PolarHBondContact O-N 2.96Å; S23-D74 VanDerWaalsContact CA-OD1 3.27Å; S23-D74 WeakPolarHBondContact CA-OD1 3.37Å; S23-D74 WeakPolarHBondContact CA-OD2 3.31Å; S23-D74 WeakPolarHBondContact CB-OD1 3.43Å; S23-D74 WeakPolarHBondContact CB-OD2 3.33Å; S23-D74 PolarHBondContact OG-OD2 3.49Å; S23-M84 VanDerWaalsContact CB-CE 3.42Å; S23-M84 WeakPolarHBondContact OG-CE 3.21Å | ||
| 24 | D | 90.9 | Very high | 85 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 15% | 0.15 | 29% | 0.287 | C | S | . | . | trans | -104.9 | 70.9 | 176.6 | -70.3 | -14.1 | 0 | 0 | 0 | 109.6 | V40 K41 D42 D43 D74 F75 | D24-V40 HydrophobicContact CB-CG1 3.85Å; D24-V40 WeakPolarHBondContact O-CG1 3.36Å; D24-K41 CarbonylContact C-O 3.44Å; D24-K41 WeakPolarHBondContact CA-O 3.41Å; D24-D42 VanDerWaalsContact OD1-CA 3.22Å; D24-D42 WeakPolarHBondContact OD1-CA 3.26Å; D24-D43 PolarHBondContact OD1-N 3.32Å; D24-D74 PolarHBondContact N-OD1 3.27Å; D24-F75 HydrophobicContact CB-CB 4.24Å; D24-F75 WeakPolarHBondContact O-CB 3.15Å; D24-F75 PolarHBondContact O-N 2.88Å | ||
| 25 | P | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 148.3 | -166.8 | 29.9 | -40.2 | 0 | 0 | 0 | 115.7 | L14 S23 K41 D44 P47 W49 V72 M73 M84 | L14-P25 HydrophobicContact CD1-CB 3.63Å; L14-P25 HydrophobicContact CD1-CG 3.75Å; S23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-K41 VanDerWaalsContact CD-O 3.28Å; P25-K41 WeakPolarHBondContact CD-O 3.28Å; P25-K41 PolarHBondContact O-N 2.92Å; P25-D44 WeakPolarHBondContact CD-O 3.41Å; P25-D44 WeakPolarHBondContact CG-O 3.37Å; P25-P47 HydrophobicContact CB-CG 4.28Å; P25-P47 HydrophobicContact CG-CB 3.87Å; P25-P47 HydrophobicContact CG-CG 3.58Å; P25-W49 HydrophobicContact CB-CZ2 4.05Å; P25-W49 HydrophobicContact CG-CZ2 4.34Å; P25-W49 PolarHBondContact O-NE1 3.12Å; P25-V72 HydrophobicContact CB-CG1 4.24Å; P25-M73 CarbonylContact C-O 3.51Å; P25-M73 VanDerWaalsContact CA-O 3.24Å; P25-M73 WeakPolarHBondContact CA-O 3.44Å; P25-M84 HydrophobicContact CB-SD 3.83Å |
| 26 | Y | 95.6 | Very high | 85.5 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 163.7 | 165.2 | 72.8 | -79.3 | 0 | 0 | 0 | 111.1 | V28 K37 V40 M73 F75 D81 | Y26-V28 HydrophobicContact CD2-CG2 4.18Å; Y26-V28 HydrophobicContact CE2-CG2 3.55Å; Y26-K37 HydrophobicContact CD2-CB 4.03Å; Y26-K37 HydrophobicContact CD2-CD 4.22Å; Y26-K37 HydrophobicContact CE2-CB 4.21Å; Y26-K37 HydrophobicContact CE2-CD 4.01Å; Y26-V40 HydrophobicContact CD1-CG2 4.15Å; Y26-V40 HydrophobicContact CG-CG2 4.3Å; Y26-M73 HydrophobicContact CD1-CB 3.98Å; Y26-M73 WeakPolarHBondContact CD1-O 3.39Å; Y26-M73 HydrophobicContact CE1-CB 3.39Å; Y26-M73 HydrophobicContact CE1-CG 4.44Å; Y26-M73 HydrophobicContact CE2-CB 4.06Å; Y26-M73 HydrophobicContact CE2-CG 4.38Å; Y26-M73 VanDerWaalsContact CZ-CB 3.41Å; Y26-M73 PolarHBondContact N-O 3.26Å; Y26-M73 PolarHBondContact O-N 3.08Å; Y26-F75 HydrophobicContact CD1-CB 3.96Å; Y26-F75 HydrophobicContact CE1-CB 4.11Å; Y26-D81 HydrophobicContact CE1-CB 4.24Å; Y26-D81 PolarHBondContact OH-OD2 3.44Å; Y26-D81 VanDerWaalsContact OH-OD2 3.06Å |
| 27 | V | 95.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.3 | -178 | -174.6 | 0 | 0 | 0 | 0 | 110 | V8 K37 T38 W49 I70 K71 V72 I119 | V8-V27 HydrophobicContact CG1-CB 4.03Å; V8-V27 HydrophobicContact CG1-CG1 4.14Å; V8-V27 HydrophobicContact CG1-CG2 3.77Å; V8-V27 HydrophobicContact CG2-CG1 4.4Å; V27-K37 CarbonylContact O-C 3.59Å; V27-K37 WeakPolarHBondContact O-CA 3.43Å; V27-T38 HydrophobicContact CB-CG2 4.06Å; V27-T38 PolarHBondContact N-OG1 2.93Å; V27-T38 PolarHBondContact O-N 2.77Å; V27-W49 HydrophobicContact CG2-CD2 4.04Å; V27-W49 HydrophobicContact CG2-CE3 3.81Å; V27-W49 HydrophobicContact CG2-CH2 3.29Å; V27-W49 HydrophobicContact CG2-CZ2 3.57Å; V27-W49 HydrophobicContact CG2-CZ3 3.42Å; V27-W49 VanDerWaalsContact CG2-CZ3 3.42Å; V27-I70 HydrophobicContact CG1-CG2 3.55Å; V27-K71 CarbonylContact C-O 3.59Å; V27-K71 WeakPolarHBondContact CA-O 3.37Å; V27-V72 HydrophobicContact CG2-CG2 4.29Å; V27-I119 HydrophobicContact CG1-CD1 4.09Å; V27-I119 HydrophobicContact CG2-CD1 3.83Å |
| 28 | V | 95.3 | Very high | 86.5 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 16% | 0.158 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.7 | 167.9 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | Y26 K35 Q36 K37 K71 M73 | Y26-V28 HydrophobicContact CD2-CG2 4.18Å; Y26-V28 HydrophobicContact CE2-CG2 3.55Å; V28-K35 HydrophobicContact CG1-CB 4.44Å; V28-K35 HydrophobicContact CG1-CG 4.47Å; V28-Q36 WeakPolarHBondContact CA-O 3.27Å; V28-K37 HydrophobicContact CG2-CB 4.29Å; V28-K71 HydrophobicContact CB-CB 4.4Å; V28-K71 PolarHBondContact N-O 3.06Å; V28-K71 PolarHBondContact O-N 3.31Å; V28-M73 HydrophobicContact CG2-CG 4.27Å |
| 29 | V | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.1 | 171.7 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | V6 V8 K35 Q36 I53 I55 V68 I70 | V6-V29 HydrophobicContact CB-CG1 4.38Å; V6-V29 HydrophobicContact CG1-CG1 4.11Å; V6-V29 HydrophobicContact CG1-CG2 4.09Å; V6-V29 HydrophobicContact CG2-CG1 4.15Å; V8-V29 HydrophobicContact CG2-CG2 3.92Å; V29-K35 WeakPolarHBondContact O-CA 3.29Å; V29-Q36 PolarHBondContact N-O 2.92Å; V29-Q36 PolarHBondContact O-N 2.88Å; V29-I53 HydrophobicContact CB-CD1 4.3Å; V29-I53 HydrophobicContact CB-CG2 4.47Å; V29-I53 HydrophobicContact CG2-CD1 3.64Å; V29-I55 HydrophobicContact CG1-CD1 3.92Å; V29-V68 HydrophobicContact CG1-CG2 3.65Å; V29-I70 HydrophobicContact CB-CD1 4.3Å; V29-I70 HydrophobicContact CG1-CD1 3.98Å; V29-I70 HydrophobicContact CG2-CD1 3.91Å |
| 30 | D | 92.9 | Very high | 88.2 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 109.2 | -178.4 | -171 | 0.6 | 0 | 0 | 0 | 109.3 | G33 Q34 K35 L69 | D30-G33 WeakPolarHBondContact OD1-CA 3.4Å; D30-G33 PolarHBondContact OD1-N 2.87Å; D30-Q34 WeakPolarHBondContact CA-O 3.44Å; D30-K35 HydrophobicContact CB-CG 3.96Å; D30-K35 WeakPolarHBondContact OD2-CE 3.49Å; D30-K35 IonicContact OD2-NZ 3.33Å; D30-L69 HydrophobicContact CB-CB 4.3Å; D30-L69 PolarHBondContact N-O 2.89Å; D30-L69 PolarHBondContact O-N 3.06Å |
| 31 | F | 90 | Very high | 89.1 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 115.3 | 175.2 | -179.6 | -100.7 | 0 | 0 | 0 | 109.8 | L4 G33 Q34 I55 L57 L62 D66 V68 L91 | L4-F31 HydrophobicContact CD2-CD2 4.45Å; F31-G33 PolarHBondContact O-N 3.36Å; F31-Q34 PolarHBondContact N-O 3.46Å; F31-Q34 WeakPolarHBondContact O-CB 3.32Å; F31-Q34 PolarHBondContact O-N 2.85Å; F31-I55 HydrophobicContact CB-CD1 3.84Å; F31-I55 HydrophobicContact CD1-CG2 4.26Å; F31-L57 HydrophobicContact CD1-CD2 3.84Å; F31-L57 HydrophobicContact CE1-CD2 3.4Å; F31-L57 VanDerWaalsContact CE1-CD2 3.4Å; F31-L57 HydrophobicContact CZ-CD2 4.23Å; F31-L62 HydrophobicContact CE1-CD2 4.23Å; F31-L62 HydrophobicContact CE2-CD2 3.88Å; F31-L62 HydrophobicContact CZ-CD2 3.45Å; F31-L62 VanDerWaalsContact CZ-CD2 3.45Å; F31-D66 HydrophobicContact CE2-CB 4.08Å; F31-D66 HydrophobicContact CZ-CB 4.39Å; F31-V68 HydrophobicContact CB-CG2 4.19Å; F31-V68 HydrophobicContact CD2-CB 4.33Å; F31-L91 HydrophobicContact CD2-CD1 3.95Å; F31-L91 HydrophobicContact CE2-CD1 3.55Å; F31-L91 HydrophobicContact CZ-CD1 4.42Å |
| 32 | Q | 83 | Confident | 89.5 | Confident | 134 Ų | 134 | 55.4 Ų | 55.4 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 34.8 | -178.1 | -60.9 | -177 | -1.7 | 0 | 0 | 113.6 | D66 | Q32-D66 PolarHBondContact NE2-OD1 3.31Š|
| 33 | G | 80.5 | Confident | 89.6 | Confident | 56 Ų | 56 | 55 Ų | 55 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -9.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D30 F31 K35 | D30-G33 WeakPolarHBondContact OD1-CA 3.4Å; D30-G33 PolarHBondContact OD1-N 2.87Å; F31-G33 PolarHBondContact O-N 3.36Å; G33-K35 PolarHBondContact O-N 3.27Å |
| 34 | Q | 82.7 | Confident | 89.6 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 109.7 | 167.2 | -64.6 | -160.7 | 39.9 | 0 | 0 | 109.5 | D30 F31 I55 D56 | D30-Q34 WeakPolarHBondContact CA-O 3.44Å; F31-Q34 PolarHBondContact N-O 3.46Å; F31-Q34 WeakPolarHBondContact O-CB 3.32Å; F31-Q34 PolarHBondContact O-N 2.85Å; Q34-I55 HydrophobicContact CB-CG2 4.33Å; Q34-D56 PolarHBondContact NE2-O 3.44Å |
| 35 | K | 89.6 | Confident | 89.5 | Confident | 137 Ų | 137 | 57.8 Ų | 57.8 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.4 | -179 | -71.3 | 168 | -179 | 163.7 | 0 | 111.3 | V28 V29 D30 G33 | V28-K35 HydrophobicContact CG1-CB 4.44Å; V28-K35 HydrophobicContact CG1-CG 4.47Å; V29-K35 WeakPolarHBondContact O-CA 3.29Å; D30-K35 HydrophobicContact CB-CG 3.96Å; D30-K35 WeakPolarHBondContact OD2-CE 3.49Å; D30-K35 IonicContact OD2-NZ 3.33Å; G33-K35 PolarHBondContact O-N 3.27Å |
| 36 | Q | 89.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 158.2 | 166.6 | -68.2 | -170.1 | 46.9 | 0 | 0 | 109.7 | V28 V29 I53 I54 | V28-Q36 WeakPolarHBondContact CA-O 3.27Å; V29-Q36 PolarHBondContact N-O 2.92Å; V29-Q36 PolarHBondContact O-N 2.88Å; Q36-I53 HydrophobicContact CB-CD1 4.35Å; Q36-I53 HydrophobicContact CB-CG2 3.68Å; Q36-I53 HydrophobicContact CG-CG2 4.24Å; Q36-I54 PolarHBondContact NE2-O 2.8Å |
| 37 | K | 92.2 | Very high | 89.1 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 57% | 0.574 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.3 | -178.1 | 67.2 | 174.7 | -175.6 | 171.1 | 0 | 112.2 | Y26 V27 V28 | Y26-K37 HydrophobicContact CD2-CB 4.03Å; Y26-K37 HydrophobicContact CD2-CD 4.22Å; Y26-K37 HydrophobicContact CE2-CB 4.21Å; Y26-K37 HydrophobicContact CE2-CD 4.01Å; V27-K37 CarbonylContact O-C 3.59Å; V27-K37 WeakPolarHBondContact O-CA 3.43Å; V28-K37 HydrophobicContact CG2-CB 4.29Å |
| 38 | T | 94.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 170 | 170.9 | 64.7 | 0 | 0 | 0 | 0 | 111.2 | V8 V27 W49 E51 I53 | V8-T38 HydrophobicContact CB-CG2 3.93Å; V8-T38 HydrophobicContact CG1-CG2 4.13Å; V8-T38 HydrophobicContact CG2-CG2 4.13Å; V27-T38 HydrophobicContact CB-CG2 4.06Å; V27-T38 PolarHBondContact N-OG1 2.93Å; V27-T38 PolarHBondContact O-N 2.77Å; T38-W49 HydrophobicContact CG2-CB 4.44Å; T38-W49 HydrophobicContact CG2-CG 4.35Å; T38-W49 PolarHBondContact OG1-NE1 3.28Å; T38-E51 WeakPolarHBondContact CA-OE2 3.45Å; T38-E51 VanDerWaalsContact CB-OE2 3.3Å; T38-E51 WeakPolarHBondContact CB-OE2 3.38Å; T38-E51 HydrophobicContact CG2-CB 4.26Å; T38-I53 HydrophobicContact CG2-CD1 3.94Å |
| 39 | K | 89.6 | Confident | 88.7 | Confident | 142 Ų | 142 | 64 Ų | 64 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 144.7 | 167.6 | -68 | 163.6 | -169.4 | 145.9 | 0 | 110.9 | W49 E51 | K39-W49 PolarHBondContact O-NE1 3.32Å; K39-E51 WeakPolarHBondContact CD-OE1 3.37Å; K39-E51 WeakPolarHBondContact CE-OE1 3.4Å; K39-E51 PolarHBondContact N-OE2 3.42Å; K39-E51 IonicContact NZ-OE1 2.82Å; K39-E51 PolarHBondContact NZ-OE1 2.78Å |
| 40 | V | 92 | Very high | 88.5 | Confident | 41 Ų | 41 | 69.1 Ų | 69.1 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 144 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 110 | D24 Y26 F75 | D24-V40 HydrophobicContact CB-CG1 3.85Å; D24-V40 WeakPolarHBondContact O-CG1 3.36Å; Y26-V40 HydrophobicContact CD1-CG2 4.15Å; Y26-V40 HydrophobicContact CG-CG2 4.3Å; V40-F75 HydrophobicContact CB-CB 4.37Å; V40-F75 HydrophobicContact CG1-CB 3.66Å; V40-F75 HydrophobicContact CG1-CD1 3.92Å; V40-F75 HydrophobicContact CG1-CG 4.03Å; V40-F75 HydrophobicContact CG2-CB 3.7Å; V40-F75 HydrophobicContact CG2-CD1 4.07Å; V40-F75 HydrophobicContact CG2-CD2 4.13Å; V40-F75 HydrophobicContact CG2-CG 3.69Å |
| 41 | K | 86.9 | Confident | 88.4 | Confident | 71 Ų | 71 | 70 Ų | 70 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | trans | -120.3 | 95.2 | 176.3 | -71.6 | -78.1 | 168.1 | 155.5 | 0 | 109.4 | D24 P25 P47 V48 W49 | D24-K41 CarbonylContact C-O 3.44Å; D24-K41 WeakPolarHBondContact CA-O 3.41Å; P25-K41 VanDerWaalsContact CD-O 3.28Å; P25-K41 WeakPolarHBondContact CD-O 3.28Å; P25-K41 PolarHBondContact O-N 2.92Å; K41-P47 HydrophobicContact CB-CB 3.9Å; K41-P47 HydrophobicContact CG-CB 4.03Å; K41-V48 WeakPolarHBondContact CE-O 3.48Å; K41-V48 PolarHBondContact NZ-O 2.87Å; K41-W49 HydrophobicContact CG-CG 4.47Å | ||
| 42 | D | 83.8 | Confident | 88.4 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 134.1 | -176.8 | -55 | 14.3 | 0 | 0 | 0 | 112 | D24 D44 | D24-D42 VanDerWaalsContact OD1-CA 3.22Å; D24-D42 WeakPolarHBondContact OD1-CA 3.26Å; D42-D44 PolarHBondContact O-N 3.44Å |
| 43 | D | 83.7 | Confident | 88.7 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35.2 | 172.6 | -98.1 | -47.8 | 0 | 0 | 0 | 116.4 | K22 D24 | K22-D43 WeakPolarHBondContact CD-O 3.33Å; K22-D43 PolarHBondContact N-OD1 3.22Å; K22-D43 PolarHBondContact NZ-O 3.44Å; D24-D43 PolarHBondContact OD1-N 3.32Å |
| 44 | D | 88.2 | Confident | 89 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | trans | -131.8 | 120.5 | -176.6 | -163.7 | -0.4 | 0 | 0 | 0 | 115.2 | S23 P25 D42 N46 P47 | S23-D44 PolarHBondContact O-N 2.96Å; P25-D44 WeakPolarHBondContact CD-O 3.41Å; P25-D44 WeakPolarHBondContact CG-O 3.37Å; D42-D44 PolarHBondContact O-N 3.44Å; D44-N46 PolarHBondContact OD1-N 3.3Å; D44-P47 WeakPolarHBondContact OD2-CA 3.1Å | ||
| 45 | L | 87.2 | Confident | 89.3 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -93.4 | -3.8 | 176.8 | -56.5 | 176.7 | 0 | 0 | 0 | 113.7 | L14 N16 K22 | L14-L45 WeakPolarHBondContact CB-O 3.43Å; L14-L45 PolarHBondContact N-O 2.95Å; N16-L45 HydrophobicContact CB-CD1 3.87Å; N16-L45 HydrophobicContact CB-CD2 3.95Å; K22-L45 HydrophobicContact CB-CD2 4.19Å; K22-L45 HydrophobicContact CB-CG 4.15Å; K22-L45 HydrophobicContact CD-CG 4.31Å; K22-L45 HydrophobicContact CG-CD1 4.19Å; K22-L45 HydrophobicContact CG-CG 4.12Å |
| 46 | N | 90 | Very high | 88.9 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -127.2 | 51.8 | 172 | -58.8 | -84.8 | 0 | 0 | 0 | 110.6 | A11 N12 N13 D44 | A11-N46 CarbonylContact O-C 3.57Å; A11-N46 WeakPolarHBondContact O-CA 3.14Å; N12-N46 WeakPolarHBondContact CA-OD1 3.1Å; N13-N46 PolarHBondContact N-OD1 2.95Å; D44-N46 PolarHBondContact OD1-N 3.3Å |
| 47 | P | 91.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -63.7 | 136.3 | -167.8 | 30.3 | -40 | 0 | 0 | 0 | 111.7 | K10 A11 L14 P25 K41 D44 W49 | K10-P47 CarbonylContact C-O 3.59Å; K10-P47 WeakPolarHBondContact CA-O 3.05Å; K10-P47 WeakPolarHBondContact CB-O 3.42Å; A11-P47 HydrophobicContact CB-CG 4.13Å; A11-P47 PolarHBondContact N-O 3.23Å; L14-P47 HydrophobicContact CD1-CG 3.61Å; P25-P47 HydrophobicContact CB-CG 4.28Å; P25-P47 HydrophobicContact CG-CB 3.87Å; P25-P47 HydrophobicContact CG-CG 3.58Å; K41-P47 HydrophobicContact CB-CB 3.9Å; K41-P47 HydrophobicContact CG-CB 4.03Å; D44-P47 WeakPolarHBondContact OD2-CA 3.1Å; P47-W49 HydrophobicContact CB-CD2 4.4Å; P47-W49 HydrophobicContact CB-CH2 3.98Å; P47-W49 HydrophobicContact CB-CZ2 3.74Å; P47-W49 HydrophobicContact CB-CZ3 4.38Å; P47-W49 HydrophobicContact CG-CE3 4.42Å; P47-W49 HydrophobicContact CG-CH2 3.23Å; P47-W49 HydrophobicContact CG-CZ2 3.43Å; P47-W49 VanDerWaalsContact CG-CZ2 3.43Å; P47-W49 HydrophobicContact CG-CZ3 3.78Å | ||
| 48 | V | 90.6 | Very high | 87.9 | Confident | 79 Ų | 79 | 61.1 Ų | 61.1 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.5 | 168.6 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | K9 K10 K41 | K9-V48 CarbonylContact O-C 3.59Å; K10-V48 HydrophobicContact CB-CB 4.27Å; K10-V48 HydrophobicContact CB-CG1 4.38Å; K10-V48 HydrophobicContact CB-CG2 3.95Å; K10-V48 HydrophobicContact CD-CG2 4.38Å; K41-V48 WeakPolarHBondContact CE-O 3.48Å; K41-V48 PolarHBondContact NZ-O 2.87Å |
| 49 | W | 91.9 | Very high | 86.8 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 7% | 0.072 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -50.4 | 176.6 | -63.6 | -80.9 | 0 | 0 | 0 | 111.6 | V8 K9 A11 P25 V27 T38 K39 K41 P47 E51 V72 I119 | V8-W49 HydrophobicContact CG1-CD2 4.38Å; V8-W49 HydrophobicContact CG1-CE3 3.8Å; V8-W49 HydrophobicContact CG1-CZ3 4.34Å; K9-W49 PolarHBondContact O-N 3.29Å; A11-W49 HydrophobicContact CB-CH2 3.88Å; A11-W49 HydrophobicContact CB-CZ3 3.72Å; P25-W49 HydrophobicContact CB-CZ2 4.05Å; P25-W49 HydrophobicContact CG-CZ2 4.34Å; P25-W49 PolarHBondContact O-NE1 3.12Å; V27-W49 HydrophobicContact CG2-CD2 4.04Å; V27-W49 HydrophobicContact CG2-CE3 3.81Å; V27-W49 HydrophobicContact CG2-CH2 3.29Å; V27-W49 HydrophobicContact CG2-CZ2 3.57Å; V27-W49 HydrophobicContact CG2-CZ3 3.42Å; V27-W49 VanDerWaalsContact CG2-CZ3 3.42Å; T38-W49 HydrophobicContact CG2-CB 4.44Å; T38-W49 HydrophobicContact CG2-CG 4.35Å; T38-W49 PolarHBondContact OG1-NE1 3.28Å; K39-W49 PolarHBondContact O-NE1 3.32Å; K41-W49 HydrophobicContact CG-CG 4.47Å; P47-W49 HydrophobicContact CB-CD2 4.4Å; P47-W49 HydrophobicContact CB-CH2 3.98Å; P47-W49 HydrophobicContact CB-CZ2 3.74Å; P47-W49 HydrophobicContact CB-CZ3 4.38Å; P47-W49 HydrophobicContact CG-CE3 4.42Å; P47-W49 HydrophobicContact CG-CH2 3.23Å; P47-W49 HydrophobicContact CG-CZ2 3.43Å; P47-W49 VanDerWaalsContact CG-CZ2 3.43Å; P47-W49 HydrophobicContact CG-CZ3 3.78Å; W49-E51 VanDerWaalsContact C-N 3.26Å; W49-E51 HydrophobicContact CB-CB 4.31Å; W49-E51 PolarHBondContact O-N 2.78Å; W49-V72 HydrophobicContact CH2-CG1 4.39Å; W49-I119 HydrophobicContact CZ3-CD1 4.38Å |
| 50 | D | 89.7 | Confident | 86.2 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 57% | 0.572 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.4 | 49.2 | -171.3 | -155.8 | 25.9 | 0 | 0 | 0 | 112 | N7 V8 K9 | N7-D50 PolarHBondContact ND2-OD1 3.17Å; N7-D50 PolarHBondContact OD1-OD1 3.06Å; V8-D50 WeakPolarHBondContact O-CA 3.31Å; V8-D50 PolarHBondContact O-N 3.36Å; K9-D50 PolarHBondContact O-N 2.87Å |
| 51 | E | 89.8 | Confident | 85.7 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 19% | 0.192 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.6 | -172.6 | -171.8 | 154.7 | -134.8 | 0 | 0 | 110.7 | V8 T38 K39 W49 | V8-E51 PolarHBondContact N-O 2.74Å; V8-E51 PolarHBondContact O-N 3.05Å; V8-E51 VanDerWaalsContact O-N 3.11Å; T38-E51 WeakPolarHBondContact CA-OE2 3.45Å; T38-E51 VanDerWaalsContact CB-OE2 3.3Å; T38-E51 WeakPolarHBondContact CB-OE2 3.38Å; T38-E51 HydrophobicContact CG2-CB 4.26Å; K39-E51 WeakPolarHBondContact CD-OE1 3.37Å; K39-E51 WeakPolarHBondContact CE-OE1 3.4Å; K39-E51 PolarHBondContact N-OE2 3.42Å; K39-E51 IonicContact NZ-OE1 2.82Å; K39-E51 PolarHBondContact NZ-OE1 2.78Å; W49-E51 VanDerWaalsContact C-N 3.26Å; W49-E51 HydrophobicContact CB-CB 4.31Å; W49-E51 PolarHBondContact O-N 2.78Å |
| 52 | E | 90.2 | Very high | 85.4 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 116 | 177.8 | -171.8 | 179.5 | -152.8 | 0 | 0 | 111.1 | H5 I54 | H5-E52 IonicContact CE1-OE1 2.98Å; H5-E52 IonicContact CG-OE1 2.69Å; H5-E52 IonicContact ND1-OE1 3.48Å; H5-E52 PolarHBondContact ND1-OE1 3.23Å; E52-I54 HydrophobicContact CG-CG1 4.21Å |
| 53 | I | 89.7 | Confident | 85.3 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.7 | 174.1 | -72.8 | 170.9 | 0 | 0 | 0 | 108 | V6 V8 V29 Q36 T38 I55 | V6-I53 HydrophobicContact CB-CB 4.39Å; V6-I53 PolarHBondContact N-O 2.77Å; V6-I53 PolarHBondContact O-N 3.36Å; V8-I53 HydrophobicContact CG2-CD1 4.42Å; V29-I53 HydrophobicContact CB-CD1 4.3Å; V29-I53 HydrophobicContact CB-CG2 4.47Å; V29-I53 HydrophobicContact CG2-CD1 3.64Å; Q36-I53 HydrophobicContact CB-CD1 4.35Å; Q36-I53 HydrophobicContact CB-CG2 3.68Å; Q36-I53 HydrophobicContact CG-CG2 4.24Å; T38-I53 HydrophobicContact CG2-CD1 3.94Å; I53-I55 HydrophobicContact CG2-CG1 4.06Å |
| 54 | I | 87.9 | Confident | 85 | Confident | 84 Ų | 84 | 58 Ų | 58 | 43% | 0.431 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.4 | 178.2 | -53.4 | 178.5 | 0 | 0 | 0 | 108.8 | A3 Q36 E52 | A3-I54 HydrophobicContact CB-CG2 4.03Å; Q36-I54 PolarHBondContact NE2-O 2.8Å; E52-I54 HydrophobicContact CG-CG1 4.21Å |
| 55 | I | 87.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 110 | 179.2 | -55.2 | 177.3 | 0 | 0 | 0 | 108 | A3 L4 V6 V29 F31 Q34 I53 L57 | A3-I55 WeakPolarHBondContact CA-O 3.25Å; L4-I55 HydrophobicContact CB-CB 4.38Å; L4-I55 PolarHBondContact N-O 2.79Å; L4-I55 PolarHBondContact O-N 3.47Å; V6-I55 HydrophobicContact CG2-CD1 4.11Å; V29-I55 HydrophobicContact CG1-CD1 3.92Å; F31-I55 HydrophobicContact CB-CD1 3.84Å; F31-I55 HydrophobicContact CD1-CG2 4.26Å; Q34-I55 HydrophobicContact CB-CG2 4.33Å; I53-I55 HydrophobicContact CG2-CG1 4.06Å; I55-L57 HydrophobicContact CG2-CD2 4.38Å; I55-L57 PolarHBondContact O-N 2.88Å |
| 56 | D | 82.5 | Confident | 84.7 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 117.6 | 171.5 | 175.8 | 16.3 | 0 | 0 | 0 | 109.4 | M1 Q34 K58 | M1-D56 HydrophobicContact SD-CB 4.39Å; Q34-D56 PolarHBondContact NE2-O 3.44Å; D56-K58 PolarHBondContact O-N 2.97Å; D56-K58 WeakPolarHBondContact OD1-CA 3.41Å; D56-K58 PolarHBondContact OD1-N 3.06Å |
| 57 | L | 82.4 | Confident | 84.8 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | trans | -82.3 | 4.6 | -179.6 | -56.4 | 167.7 | 0 | 0 | 0 | 112.1 | Y2 L4 F31 I55 G59 K60 L62 Y125 | Y2-L57 WeakPolarHBondContact O-CB 3.4Å; Y2-L57 PolarHBondContact O-N 3.33Å; L4-L57 HydrophobicContact CB-CD1 4.37Å; L4-L57 HydrophobicContact CB-CD2 4.37Å; F31-L57 HydrophobicContact CD1-CD2 3.84Å; F31-L57 HydrophobicContact CE1-CD2 3.4Å; F31-L57 VanDerWaalsContact CE1-CD2 3.4Å; F31-L57 HydrophobicContact CZ-CD2 4.23Å; I55-L57 HydrophobicContact CG2-CD2 4.38Å; I55-L57 PolarHBondContact O-N 2.88Å; L57-G59 PolarHBondContact O-N 2.7Å; L57-G59 VanDerWaalsContact O-N 3.17Å; L57-K60 WeakPolarHBondContact CB-O 3.41Å; L57-K60 PolarHBondContact O-N 2.84Å; L57-L62 HydrophobicContact CD1-CD1 4.46Å; L57-L62 HydrophobicContact CD1-CD2 4.39Å; L57-L62 HydrophobicContact CD1-CG 3.95Å; L57-L62 HydrophobicContact CD2-CD2 4.38Å; L57-Y125 HydrophobicContact CD1-CD2 4.16Å; L57-Y125 HydrophobicContact CD1-CE2 3.62Å | ||
| 58 | K | 77.7 | Confident | 84.8 | Confident | 162 Ų | 162 | 58.7 Ų | 58.7 | 70% | 0.704 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 37.1 | 173.8 | -59.9 | -175.3 | -179.8 | -178.9 | 0 | 113.6 | D56 | D56-K58 PolarHBondContact O-N 2.97Å; D56-K58 WeakPolarHBondContact OD1-CA 3.41Å; D56-K58 PolarHBondContact OD1-N 3.06Å |
| 59 | G | 71.8 | Confident | 84.9 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -11.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y2 L57 | Y2-G59 WeakPolarHBondContact CD2-O 3.34Å; L57-G59 PolarHBondContact O-N 2.7Å; L57-G59 VanDerWaalsContact O-N 3.17Å |
| 60 | K | 76.8 | Confident | 85 | Confident | 141 Ų | 141 | 55.9 Ų | 55.9 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 131.6 | 177.4 | -61.8 | -168.4 | 176.5 | -168.6 | 0 | 111.1 | L57 | L57-K60 WeakPolarHBondContact CB-O 3.41Å; L57-K60 PolarHBondContact O-N 2.84Å |
| 61 | P | 79.9 | Confident | 85.3 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 154.7 | 171.2 | 32.1 | -34.1 | 0 | 0 | 0 | 111.3 | Y125 | P61-Y125 VanDerWaalsContact CA-OH 3.23Å; P61-Y125 WeakPolarHBondContact CA-OH 3.49Å; P61-Y125 WeakPolarHBondContact CB-OH 3.44Å |
| 62 | L | 81.5 | Confident | 85.5 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 144.8 | 170 | -74 | 171.4 | 0 | 0 | 0 | 111.3 | L4 F31 L57 D66 L91 L95 Y125 | L4-L62 HydrophobicContact CD1-CD1 4.19Å; F31-L62 HydrophobicContact CE1-CD2 4.23Å; F31-L62 HydrophobicContact CE2-CD2 3.88Å; F31-L62 HydrophobicContact CZ-CD2 3.45Å; F31-L62 VanDerWaalsContact CZ-CD2 3.45Å; L57-L62 HydrophobicContact CD1-CD1 4.46Å; L57-L62 HydrophobicContact CD1-CD2 4.39Å; L57-L62 HydrophobicContact CD1-CG 3.95Å; L57-L62 HydrophobicContact CD2-CD2 4.38Å; L62-D66 HydrophobicContact CD2-CB 4.22Å; L62-L91 HydrophobicContact CD1-CD1 4.26Å; L62-L91 HydrophobicContact CD2-CD1 3.63Å; L62-L95 HydrophobicContact CB-CD2 3.55Å; L62-L95 WeakPolarHBondContact O-CD2 3.45Å; L62-Y125 HydrophobicContact CB-CE2 4.43Å; L62-Y125 HydrophobicContact CD1-CD2 3.7Å; L62-Y125 HydrophobicContact CD1-CE2 3.95Å; L62-Y125 HydrophobicContact CD1-CG 4.08Å; L62-Y125 HydrophobicContact CG-CD2 4.3Å; L62-Y125 HydrophobicContact CG-CE2 4.04Å; L62-Y125 PolarHBondContact N-OH 3.24Å |
| 63 | V | 81.8 | Confident | 85.7 | Confident | 74 Ų | 74 | 48.4 Ų | 48.4 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | trans | -113.8 | 160.7 | 173.7 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | S65 D66 | V63-S65 PolarHBondContact O-N 2.92Å; V63-S65 VanDerWaalsContact O-N 3.13Å; V63-D66 HydrophobicContact CG2-CB 4.48Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.31Å; V63-D66 PolarHBondContact N-OD2 2.93Å; V63-D66 WeakPolarHBondContact O-CB 3.33Å; V63-D66 PolarHBondContact O-N 3.49Å | ||
| 64 | A | 77 | Confident | 85.8 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q92 L95 | A64-Q92 HydrophobicContact CB-CG 4.24Å; A64-L95 HydrophobicContact CB-CD1 4.19Å |
| 65 | S | 80.4 | Confident | 85.9 | Confident | 95 Ų | 95 | 47.1 Ų | 47.1 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -4.3 | 176.1 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | V63 N67 | V63-S65 PolarHBondContact O-N 2.92Å; V63-S65 VanDerWaalsContact O-N 3.13Å; S65-N67 PolarHBondContact O-ND2 3.02Å |
| 66 | D | 88.7 | Confident | 85.8 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 10% | 0.102 | 27% | 0.27 | C | S | . | . | trans | -68.9 | 143.2 | 179.9 | -84.9 | -43.2 | 0 | 0 | 0 | 112.2 | F31 Q32 L62 V63 L91 | F31-D66 HydrophobicContact CE2-CB 4.08Å; F31-D66 HydrophobicContact CZ-CB 4.39Å; Q32-D66 PolarHBondContact NE2-OD1 3.31Å; L62-D66 HydrophobicContact CD2-CB 4.22Å; V63-D66 HydrophobicContact CG2-CB 4.48Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.31Å; V63-D66 PolarHBondContact N-OD2 2.93Å; V63-D66 WeakPolarHBondContact O-CB 3.33Å; V63-D66 PolarHBondContact O-N 3.49Å; D66-L91 HydrophobicContact CB-CB 4.32Å; D66-L91 HydrophobicContact CB-CD1 4.1Å; D66-L91 WeakPolarHBondContact O-CB 3.4Å; D66-L91 PolarHBondContact O-N 2.92Å | ||
| 67 | N | 91.3 | Very high | 85.5 | Confident | 61 Ų | 61 | 53 Ų | 53 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.4 | 176.8 | -64.5 | -91.3 | 0 | 0 | 0 | 109.9 | S65 L88 I89 P90 | S65-N67 PolarHBondContact O-ND2 3.02Å; N67-L88 HydrophobicContact CB-CD1 3.72Å; N67-L88 HydrophobicContact CB-CD2 4.38Å; N67-L88 HydrophobicContact CB-CG 3.9Å; N67-I89 CarbonylContact C-O 3.47Å; N67-I89 VanDerWaalsContact CA-O 3.28Å; N67-I89 WeakPolarHBondContact CA-O 3.42Å; N67-P90 VanDerWaalsContact OD1-CA 3.25Å; N67-P90 WeakPolarHBondContact OD1-CA 3.34Å; N67-P90 WeakPolarHBondContact OD1-CG 3.17Å |
| 68 | V | 91.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.4 | 167.7 | 66.6 | 0 | 0 | 0 | 0 | 110.1 | V29 F31 I70 I89 L91 L123 | V29-V68 HydrophobicContact CG1-CG2 3.65Å; F31-V68 HydrophobicContact CB-CG2 4.19Å; F31-V68 HydrophobicContact CD2-CB 4.33Å; V68-I70 HydrophobicContact CG1-CD1 4.43Å; V68-I70 HydrophobicContact CG2-CD1 4.16Å; V68-I89 HydrophobicContact CG1-CB 3.86Å; V68-I89 HydrophobicContact CG1-CG2 4.36Å; V68-I89 PolarHBondContact N-O 3.47Å; V68-I89 PolarHBondContact O-N 3.02Å; V68-L91 HydrophobicContact CB-CD2 4.26Å; V68-L91 HydrophobicContact CG1-CD2 3.82Å; V68-L123 HydrophobicContact CG1-CD1 4.48Å |
| 69 | L | 94.1 | Very high | 85 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.2 | 178.8 | 178.5 | 58.9 | 0 | 0 | 0 | 109.7 | D30 K71 Q86 L88 | D30-L69 HydrophobicContact CB-CB 4.3Å; D30-L69 PolarHBondContact N-O 2.89Å; D30-L69 PolarHBondContact O-N 3.06Å; L69-K71 VanDerWaalsContact CD2-CE 3.44Å; L69-K71 HydrophobicContact CG-CG 4.38Å; L69-Q86 HydrophobicContact CD1-CB 4.38Å; L69-L88 HydrophobicContact CB-CD1 3.99Å; L69-L88 HydrophobicContact CD1-CB 4.47Å; L69-L88 HydrophobicContact CD1-CD1 4.22Å |
| 70 | I | 94.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131 | 178.1 | -53.6 | -61.2 | 0 | 0 | 0 | 108.3 | V27 V29 V68 Q86 A87 I89 I119 L121 | V27-I70 HydrophobicContact CG1-CG2 3.55Å; V29-I70 HydrophobicContact CB-CD1 4.3Å; V29-I70 HydrophobicContact CG1-CD1 3.98Å; V29-I70 HydrophobicContact CG2-CD1 3.91Å; V68-I70 HydrophobicContact CG1-CD1 4.43Å; V68-I70 HydrophobicContact CG2-CD1 4.16Å; I70-Q86 CarbonylContact O-C 3.59Å; I70-Q86 WeakPolarHBondContact O-CA 3.25Å; I70-Q86 WeakPolarHBondContact O-CB 3.39Å; I70-A87 PolarHBondContact N-O 2.92Å; I70-A87 PolarHBondContact O-N 2.9Å; I70-I89 HydrophobicContact CG1-CD1 3.64Å; I70-I89 HydrophobicContact CG1-CG1 4.4Å; I70-I119 HydrophobicContact CG2-CD1 3.82Å; I70-L121 HydrophobicContact CD1-CD2 4.05Å; I70-L121 HydrophobicContact CG1-CD2 3.89Å; I70-L121 HydrophobicContact CG2-CD2 4.49Å |
| 71 | K | 94.9 | Very high | 86 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.1 | 175.3 | -63.5 | -178.6 | 177.4 | 166.3 | 0 | 110.3 | V27 V28 L69 G85 Q86 | V27-K71 CarbonylContact C-O 3.59Å; V27-K71 WeakPolarHBondContact CA-O 3.37Å; V28-K71 HydrophobicContact CB-CB 4.4Å; V28-K71 PolarHBondContact N-O 3.06Å; V28-K71 PolarHBondContact O-N 3.31Å; L69-K71 VanDerWaalsContact CD2-CE 3.44Å; L69-K71 HydrophobicContact CG-CG 4.38Å; K71-G85 CarbonylContact C-O 3.48Å; K71-G85 WeakPolarHBondContact CA-O 3.49Å; K71-Q86 HydrophobicContact CG-CB 3.86Å |
| 72 | V | 94.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.3 | 172.1 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | L14 P25 V27 W49 M84 G85 L107 I119 | L14-V72 HydrophobicContact CD1-CG1 3.94Å; L14-V72 HydrophobicContact CD2-CB 4.46Å; L14-V72 HydrophobicContact CD2-CG1 3.9Å; P25-V72 HydrophobicContact CB-CG1 4.24Å; V27-V72 HydrophobicContact CG2-CG2 4.29Å; W49-V72 HydrophobicContact CH2-CG1 4.39Å; V72-M84 HydrophobicContact CB-CB 4.33Å; V72-M84 HydrophobicContact CG1-CB 4.28Å; V72-M84 HydrophobicContact CG1-SD 4Å; V72-M84 WeakPolarHBondContact O-CB 3.46Å; V72-M84 PolarHBondContact O-N 3.46Å; V72-G85 PolarHBondContact N-O 3.36Å; V72-G85 PolarHBondContact O-N 3.48Å; V72-L107 HydrophobicContact CB-CD1 4.23Å; V72-L107 HydrophobicContact CG2-CD1 3.6Å; V72-L107 HydrophobicContact CG2-CD2 3.95Å; V72-L107 HydrophobicContact CG2-CG 4.46Å; V72-I119 HydrophobicContact CG2-CD1 3.82Å |
| 73 | M | 93.6 | Very high | 86.8 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 15% | 0.148 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.2 | -172.4 | -61.8 | -63.6 | -58.3 | 0 | 0 | 109 | P25 Y26 V28 D81 K82 F83 | P25-M73 CarbonylContact C-O 3.51Å; P25-M73 VanDerWaalsContact CA-O 3.24Å; P25-M73 WeakPolarHBondContact CA-O 3.44Å; Y26-M73 HydrophobicContact CD1-CB 3.98Å; Y26-M73 WeakPolarHBondContact CD1-O 3.39Å; Y26-M73 HydrophobicContact CE1-CB 3.39Å; Y26-M73 HydrophobicContact CE1-CG 4.44Å; Y26-M73 HydrophobicContact CE2-CB 4.06Å; Y26-M73 HydrophobicContact CE2-CG 4.38Å; Y26-M73 VanDerWaalsContact CZ-CB 3.41Å; Y26-M73 PolarHBondContact N-O 3.26Å; Y26-M73 PolarHBondContact O-N 3.08Å; V28-M73 HydrophobicContact CG2-CG 4.27Å; M73-D81 HydrophobicContact CE-CB 4.11Å; M73-D81 WeakPolarHBondContact CE-O 3.41Å; M73-K82 CarbonylContact C-O 3.46Å; M73-K82 WeakPolarHBondContact CA-O 3.49Å; M73-F83 HydrophobicContact CE-CB 4.36Å; M73-F83 HydrophobicContact SD-CB 4.12Å; M73-F83 HydrophobicContact SD-CD2 3.93Å; M73-F83 HydrophobicContact SD-CG 4.48Å |
| 74 | D | 92.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.2 | 173.9 | -164.5 | -2.2 | 0 | 0 | 0 | 108.7 | I17 S23 D24 D81 K82 M84 | I17-D74 HydrophobicContact CD1-CB 3.86Å; I17-D74 HydrophobicContact CG1-CB 4.08Å; I17-D74 WeakPolarHBondContact CG1-OD2 3.38Å; S23-D74 VanDerWaalsContact CA-OD1 3.27Å; S23-D74 WeakPolarHBondContact CA-OD1 3.37Å; S23-D74 WeakPolarHBondContact CA-OD2 3.31Å; S23-D74 WeakPolarHBondContact CB-OD1 3.43Å; S23-D74 WeakPolarHBondContact CB-OD2 3.33Å; S23-D74 PolarHBondContact OG-OD2 3.49Å; D24-D74 PolarHBondContact N-OD1 3.27Å; D74-D81 CarbonylContact O-C 3.59Å; D74-D81 WeakPolarHBondContact O-CA 3.5Å; D74-D81 WeakPolarHBondContact O-CB 3.35Å; D74-K82 HydrophobicContact CB-CB 4.16Å; D74-K82 PolarHBondContact N-O 2.88Å; D74-K82 PolarHBondContact O-N 2.97Å; D74-M84 HydrophobicContact CB-CG 3.97Å; D74-M84 HydrophobicContact CB-SD 3.9Å |
| 75 | F | 88.8 | Confident | 87.8 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | trans | -87.3 | 123.2 | -175 | 175.8 | -107 | 0 | 0 | 0 | 112.1 | D24 Y26 V40 K77 D81 | D24-F75 HydrophobicContact CB-CB 4.24Å; D24-F75 WeakPolarHBondContact O-CB 3.15Å; D24-F75 PolarHBondContact O-N 2.88Å; Y26-F75 HydrophobicContact CD1-CB 3.96Å; Y26-F75 HydrophobicContact CE1-CB 4.11Å; V40-F75 HydrophobicContact CB-CB 4.37Å; V40-F75 HydrophobicContact CG1-CB 3.66Å; V40-F75 HydrophobicContact CG1-CD1 3.92Å; V40-F75 HydrophobicContact CG1-CG 4.03Å; V40-F75 HydrophobicContact CG2-CB 3.7Å; V40-F75 HydrophobicContact CG2-CD1 4.07Å; V40-F75 HydrophobicContact CG2-CD2 4.13Å; V40-F75 HydrophobicContact CG2-CG 3.69Å; F75-K77 HydrophobicContact CE1-CG 3.85Å; F75-K77 HydrophobicContact CZ-CG 4.45Å; F75-D81 WeakPolarHBondContact CA-OD1 3.41Å; F75-D81 WeakPolarHBondContact CD2-OD1 3.43Å | ||
| 76 | D | 84.6 | Confident | 88.5 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | trans | -110.6 | 130.9 | 177.6 | -101 | -47.2 | 0 | 0 | 0 | 111.5 | V78 T79 D81 K82 | D76-V78 VanDerWaalsContact C-N 3.28Å; D76-V78 PolarHBondContact O-N 2.91Å; D76-T79 WeakPolarHBondContact CB-O 3.25Å; D76-T79 PolarHBondContact OD1-OG1 3.24Å; D76-T79 WeakPolarHBondContact OD2-CB 3.43Å; D76-T79 PolarHBondContact OD2-OG1 3.37Å; D76-D81 PolarHBondContact N-OD1 3.48Å; D76-K82 VanDerWaalsContact CG-NZ 3.34Å; D76-K82 IonicContact OD1-NZ 2.69Å; D76-K82 PolarHBondContact OD1-NZ 3.44Å; D76-K82 WeakPolarHBondContact OD2-CE 3.45Å; D76-K82 IonicContact OD2-NZ 2.78Å; D76-K82 PolarHBondContact OD2-NZ 2.85Å | ||
| 77 | K | 76.8 | Confident | 88.7 | Confident | 157 Ų | 157 | 47.6 Ų | 47.6 | 68% | 0.683 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -73.1 | -16.8 | 176.1 | -75.8 | 171.3 | -178.4 | 136.1 | 0 | 114.3 | F75 | F75-K77 HydrophobicContact CE1-CG 3.85Å; F75-K77 HydrophobicContact CZ-CG 4.45Å |
| 78 | V | 74.4 | Confident | 88.8 | Confident | 144 Ų | 144 | 49.9 Ų | 49.9 | 87% | 0.873 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -133.3 | -36.4 | -170.3 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | D76 | D76-V78 VanDerWaalsContact C-N 3.28Å; D76-V78 PolarHBondContact O-N 2.91Å |
| 79 | T | 75 | Confident | 88.7 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -98.2 | 168 | 175 | 29.5 | 0 | 0 | 0 | 0 | 112.1 | D76 | D76-T79 WeakPolarHBondContact CB-O 3.25Å; D76-T79 PolarHBondContact OD1-OG1 3.24Å; D76-T79 WeakPolarHBondContact OD2-CB 3.43Å; D76-T79 PolarHBondContact OD2-OG1 3.37Å |
| 80 | P | 79.3 | Confident | 88.4 | Confident | 113 Ų | 113 | 51.8 Ų | 51.8 | 73% | 0.734 | 27% | 0.274 | S | S | * | . | trans | -69.2 | 133 | 173.9 | -18 | 32.1 | 0 | 0 | 0 | 111.7 | K82 | P80-K82 PolarHBondContact O-N 2.91Š| ||
| 81 | D | 89.7 | Confident | 88.1 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | trans | -43.9 | 125.8 | 178.6 | -60.9 | -26.6 | 0 | 0 | 0 | 112.6 | Y26 M73 D74 F75 D76 | Y26-D81 HydrophobicContact CE1-CB 4.24Å; Y26-D81 PolarHBondContact OH-OD2 3.44Å; Y26-D81 VanDerWaalsContact OH-OD2 3.06Å; M73-D81 HydrophobicContact CE-CB 4.11Å; M73-D81 WeakPolarHBondContact CE-O 3.41Å; D74-D81 CarbonylContact O-C 3.59Å; D74-D81 WeakPolarHBondContact O-CA 3.5Å; D74-D81 WeakPolarHBondContact O-CB 3.35Å; F75-D81 WeakPolarHBondContact CA-OD1 3.41Å; F75-D81 WeakPolarHBondContact CD2-OD1 3.43Å; D76-D81 PolarHBondContact N-OD1 3.48Å | ||
| 82 | K | 88.4 | Confident | 87.5 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 138.4 | -168.9 | -55.3 | 175.7 | -178.3 | 104.9 | 0 | 110.8 | I17 E18 M73 D74 D76 P80 | I17-K82 HydrophobicContact CD1-CB 3.45Å; I17-K82 VanDerWaalsContact CD1-CB 3.45Å; I17-K82 HydrophobicContact CD1-CD 4.33Å; I17-K82 HydrophobicContact CG1-CB 4.31Å; I17-K82 HydrophobicContact CG1-CD 4.36Å; E18-K82 IonicContact OE1-NZ 3.69Å; E18-K82 PolarHBondContact OE1-NZ 3.37Å; E18-K82 IonicContact OE2-NZ 3.95Å; E18-K82 PolarHBondContact OE2-NZ 2.89Å; M73-K82 CarbonylContact C-O 3.46Å; M73-K82 WeakPolarHBondContact CA-O 3.49Å; D74-K82 HydrophobicContact CB-CB 4.16Å; D74-K82 PolarHBondContact N-O 2.88Å; D74-K82 PolarHBondContact O-N 2.97Å; D76-K82 VanDerWaalsContact CG-NZ 3.34Å; D76-K82 IonicContact OD1-NZ 2.69Å; D76-K82 PolarHBondContact OD1-NZ 3.44Å; D76-K82 WeakPolarHBondContact OD2-CE 3.45Å; D76-K82 IonicContact OD2-NZ 2.78Å; D76-K82 PolarHBondContact OD2-NZ 2.85Å; P80-K82 PolarHBondContact O-N 2.91Å |
| 83 | F | 91.8 | Very high | 86.6 | Confident | 45 Ų | 45 | 58 Ų | 58 | 20% | 0.197 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.7 | -177.8 | 173.5 | -88.9 | 0 | 0 | 0 | 112.3 | M73 G85 Q86 K110 | M73-F83 HydrophobicContact CE-CB 4.36Å; M73-F83 HydrophobicContact SD-CB 4.12Å; M73-F83 HydrophobicContact SD-CD2 3.93Å; M73-F83 HydrophobicContact SD-CG 4.48Å; F83-G85 WeakPolarHBondContact CE2-O 3.25Å; F83-G85 VanDerWaalsContact CZ-CA 3.43Å; F83-Q86 HydrophobicContact CE2-CB 3.95Å; F83-Q86 HydrophobicContact CE2-CG 4.34Å; F83-Q86 HydrophobicContact CZ-CB 3.94Å; F83-Q86 HydrophobicContact CZ-CG 3.97Å; F83-K110 HydrophobicContact CD1-CD 4.22Å; F83-K110 HydrophobicContact CD1-CG 3.5Å; F83-K110 VanDerWaalsContact CD1-CG 3.5Å; F83-K110 HydrophobicContact CE1-CB 4.49Å; F83-K110 HydrophobicContact CE1-CG 3.56Å; F83-K110 HydrophobicContact CG-CG 4.19Å; F83-K110 HydrophobicContact CZ-CG 4.29Å |
| 84 | M | 87 | Confident | 86 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -40.1 | 179.1 | -51.7 | -178.4 | 88.2 | 0 | 0 | 112.9 | L14 K15 I17 S23 P25 V72 D74 | L14-M84 HydrophobicContact CB-CE 3.9Å; L14-M84 HydrophobicContact CD1-CE 4.35Å; L14-M84 HydrophobicContact CD1-SD 4.37Å; K15-M84 WeakPolarHBondContact O-CE 3.27Å; I17-M84 HydrophobicContact CD1-CG 3.85Å; S23-M84 VanDerWaalsContact CB-CE 3.42Å; S23-M84 WeakPolarHBondContact OG-CE 3.21Å; P25-M84 HydrophobicContact CB-SD 3.83Å; V72-M84 HydrophobicContact CB-CB 4.33Å; V72-M84 HydrophobicContact CG1-CB 4.28Å; V72-M84 HydrophobicContact CG1-SD 4Å; V72-M84 WeakPolarHBondContact O-CB 3.46Å; V72-M84 PolarHBondContact O-N 3.46Å; D74-M84 HydrophobicContact CB-CG 3.97Å; D74-M84 HydrophobicContact CB-SD 3.9Å |
| 85 | G | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K71 V72 F83 Q108 | K71-G85 CarbonylContact C-O 3.48Å; K71-G85 WeakPolarHBondContact CA-O 3.49Å; V72-G85 PolarHBondContact N-O 3.36Å; V72-G85 PolarHBondContact O-N 3.48Å; F83-G85 WeakPolarHBondContact CE2-O 3.25Å; F83-G85 VanDerWaalsContact CZ-CA 3.43Å; G85-Q108 CarbonylContact C-O 3.55Å; G85-Q108 VanDerWaalsContact CA-O 3.31Å; G85-Q108 WeakPolarHBondContact CA-O 3.47Å |
| 86 | Q | 95.5 | Very high | 84.4 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154.7 | 175.7 | 69.6 | -174.5 | 3.1 | 0 | 0 | 113.3 | L69 I70 K71 F83 Q108 | L69-Q86 HydrophobicContact CD1-CB 4.38Å; I70-Q86 CarbonylContact O-C 3.59Å; I70-Q86 WeakPolarHBondContact O-CA 3.25Å; I70-Q86 WeakPolarHBondContact O-CB 3.39Å; K71-Q86 HydrophobicContact CG-CB 3.86Å; F83-Q86 HydrophobicContact CE2-CB 3.95Å; F83-Q86 HydrophobicContact CE2-CG 4.34Å; F83-Q86 HydrophobicContact CZ-CB 3.94Å; F83-Q86 HydrophobicContact CZ-CG 3.97Å; Q86-Q108 PolarHBondContact N-O 2.73Å; Q86-Q108 WeakPolarHBondContact O-CB 3.23Å; Q86-Q108 PolarHBondContact O-N 2.72Å |
| 87 | A | 92.7 | Very high | 83.5 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 138.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I70 V105 L107 | I70-A87 PolarHBondContact N-O 2.92Å; I70-A87 PolarHBondContact O-N 2.9Å; A87-V105 HydrophobicContact CB-CB 4.34Å; A87-V105 HydrophobicContact CB-CG2 3.63Å; A87-L107 HydrophobicContact CB-CD2 4.25Å |
| 88 | L | 92.7 | Very high | 82.9 | Confident | 108 Ų | 108 | 60.2 Ų | 60.2 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.9 | 172.7 | -172 | 71 | 0 | 0 | 0 | 108.4 | N67 L69 | N67-L88 HydrophobicContact CB-CD1 3.72Å; N67-L88 HydrophobicContact CB-CD2 4.38Å; N67-L88 HydrophobicContact CB-CG 3.9Å; L69-L88 HydrophobicContact CB-CD1 3.99Å; L69-L88 HydrophobicContact CD1-CB 4.47Å; L69-L88 HydrophobicContact CD1-CD1 4.22Å |
| 89 | I | 91 | Very high | 82.9 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.9 | -169.4 | -59.3 | 177.4 | 0 | 0 | 0 | 109.6 | N67 V68 I70 I103 V105 L121 L123 | N67-I89 CarbonylContact C-O 3.47Å; N67-I89 VanDerWaalsContact CA-O 3.28Å; N67-I89 WeakPolarHBondContact CA-O 3.42Å; V68-I89 HydrophobicContact CG1-CB 3.86Å; V68-I89 HydrophobicContact CG1-CG2 4.36Å; V68-I89 PolarHBondContact N-O 3.47Å; V68-I89 PolarHBondContact O-N 3.02Å; I70-I89 HydrophobicContact CG1-CD1 3.64Å; I70-I89 HydrophobicContact CG1-CG1 4.4Å; I89-I103 HydrophobicContact CD1-CG2 4.16Å; I89-I103 HydrophobicContact CG2-CD1 3.54Å; I89-I103 HydrophobicContact CG2-CG2 4.18Å; I89-V105 HydrophobicContact CD1-CG2 3.97Å; I89-V105 HydrophobicContact CG1-CG2 4.27Å; I89-L121 HydrophobicContact CD1-CD1 4.2Å; I89-L121 HydrophobicContact CD1-CD2 3.76Å; I89-L121 HydrophobicContact CD1-CG 4.39Å; I89-L123 HydrophobicContact CG2-CD1 4.22Å |
| 90 | P | 87.5 | Confident | 83.1 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 134.7 | 174.8 | -20.4 | 32.4 | 0 | 0 | 0 | 112.3 | N67 | N67-P90 VanDerWaalsContact OD1-CA 3.25Å; N67-P90 WeakPolarHBondContact OD1-CA 3.34Å; N67-P90 WeakPolarHBondContact OD1-CG 3.17Å |
| 91 | L | 87.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -91.2 | -1.3 | -177.1 | -61.3 | -175.5 | 0 | 0 | 0 | 113.9 | L4 F31 L62 D66 V68 S93 V94 L123 | L4-L91 HydrophobicContact CD2-CD1 3.76Å; L4-L91 HydrophobicContact CD2-CD2 4.39Å; F31-L91 HydrophobicContact CD2-CD1 3.95Å; F31-L91 HydrophobicContact CE2-CD1 3.55Å; F31-L91 HydrophobicContact CZ-CD1 4.42Å; L62-L91 HydrophobicContact CD1-CD1 4.26Å; L62-L91 HydrophobicContact CD2-CD1 3.63Å; D66-L91 HydrophobicContact CB-CB 4.32Å; D66-L91 HydrophobicContact CB-CD1 4.1Å; D66-L91 WeakPolarHBondContact O-CB 3.4Å; D66-L91 PolarHBondContact O-N 2.92Å; V68-L91 HydrophobicContact CB-CD2 4.26Å; V68-L91 HydrophobicContact CG1-CD2 3.82Å; L91-S93 PolarHBondContact O-N 2.66Å; L91-S93 VanDerWaalsContact O-N 3.12Å; L91-V94 HydrophobicContact CD2-CG2 4.31Å; L91-V94 WeakPolarHBondContact O-CB 3.49Å; L91-V94 PolarHBondContact O-N 2.85Å; L91-L123 HydrophobicContact CD2-CD1 3.43Å; L91-L123 VanDerWaalsContact CD2-CD1 3.43Å | ||
| 92 | Q | 81.9 | Confident | 83.3 | Confident | 130 Ų | 130 | 56.9 Ų | 56.9 | 61% | 0.607 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -36.7 | -179.9 | -169.8 | -177.3 | 13.2 | 0 | 0 | 113.5 | A64 V94 | A64-Q92 HydrophobicContact CB-CG 4.24Å; Q92-V94 VanDerWaalsContact C-N 3.29Å; Q92-V94 PolarHBondContact O-N 2.7Å |
| 93 | S | 77 | Confident | 83.3 | Confident | 59 Ų | 59 | 55 Ų | 55 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.7 | 179.3 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | L91 | L91-S93 PolarHBondContact O-N 2.66Å; L91-S93 VanDerWaalsContact O-N 3.12Å |
| 94 | V | 82 | Confident | 83.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -29.7 | -177.9 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | L91 Q92 S96 A97 L123 | L91-V94 HydrophobicContact CD2-CG2 4.31Å; L91-V94 WeakPolarHBondContact O-CB 3.49Å; L91-V94 PolarHBondContact O-N 2.85Å; Q92-V94 VanDerWaalsContact C-N 3.29Å; Q92-V94 PolarHBondContact O-N 2.7Å; V94-S96 VanDerWaalsContact C-N 3.26Å; V94-S96 PolarHBondContact O-N 2.75Å; V94-A97 PolarHBondContact O-N 2.95Å; V94-L123 HydrophobicContact CG1-CB 4.24Å; V94-L123 HydrophobicContact CG2-CB 3.69Å; V94-L123 HydrophobicContact CG2-CD1 3.74Å; V94-L123 HydrophobicContact CG2-CG 4.38Å |
| 95 | L | 77 | Confident | 83.4 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 35% | 0.346 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -33.6 | -177.1 | -68.9 | 173.9 | 0 | 0 | 0 | 114.2 | L62 A64 | L62-L95 HydrophobicContact CB-CD2 3.55Å; L62-L95 WeakPolarHBondContact O-CD2 3.45Å; A64-L95 HydrophobicContact CB-CD1 4.19Å |
| 96 | S | 69.6 | Low | 83.5 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 75% | 0.748 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.9 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | V94 | V94-S96 VanDerWaalsContact C-N 3.26Å; V94-S96 PolarHBondContact O-N 2.75Å |
| 97 | A | 65.8 | Low | 83.4 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 22% | 0.223 | 35% | 0.349 | C | S | . | . | trans | -96.9 | 118.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V94 V99 V101 | V94-A97 PolarHBondContact O-N 2.95Å; A97-V99 VanDerWaalsContact C-N 3.26Å; A97-V101 HydrophobicContact CB-CG2 3.34Å | ||
| 98 | T | 64 | Low | 83.3 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 74% | 0.742 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -82.9 | -1 | 170.6 | 45.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 99 | V | 75.5 | Confident | 82.9 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 63% | 0.63 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -132.1 | 157.3 | -176.7 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | A97 V101 | A97-V99 VanDerWaalsContact C-N 3.26Å; V99-V101 PolarHBondContact O-N 3.19Å |
| 100 | E | 79.2 | Confident | 82.3 | Confident | 75 Ų | 75 | 65.9 Ų | 65.9 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | trans | -51.4 | 127.5 | 171.2 | -88.3 | 176.7 | -128.9 | 0 | 0 | 112.6 | K9 P102 S122 L123 R124 | K9-E100 IonicContact NZ-OE2 3.43Å; E100-P102 WeakPolarHBondContact O-CD 3.46Å; E100-S122 VanDerWaalsContact OE2-CB 3.3Å; E100-S122 WeakPolarHBondContact OE2-CB 3.04Å; E100-S122 PolarHBondContact OE2-OG 3.17Å; E100-L123 CarbonylContact C-O 3.57Å; E100-L123 WeakPolarHBondContact CA-O 3.33Å; E100-R124 HydrophobicContact CG-CB 3.75Å | ||
| 101 | V | 84.9 | Confident | 81.5 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 110.9 | 173.1 | -178 | 0 | 0 | 0 | 0 | 108.6 | A97 V99 I103 S122 L123 | A97-V101 HydrophobicContact CB-CG2 3.34Å; V99-V101 PolarHBondContact O-N 3.19Å; V101-I103 HydrophobicContact CG1-CG1 4.18Å; V101-S122 CarbonylContact O-C 3.59Å; V101-S122 VanDerWaalsContact O-CA 3.24Å; V101-S122 WeakPolarHBondContact O-CA 3.21Å; V101-L123 PolarHBondContact N-O 3.4Å; V101-L123 PolarHBondContact O-N 2.68Å |
| 102 | P | 87.8 | Confident | 81 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 70% | 0.695 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.4 | 173.2 | 31.1 | -33.7 | 0 | 0 | 0 | 110.6 | E100 | E100-P102 WeakPolarHBondContact O-CD 3.46Å |
| 103 | I | 87.6 | Confident | 80.6 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.5 | -179.2 | -60.2 | -175 | 0 | 0 | 0 | 108.4 | I89 V101 V105 E120 L121 L123 | I89-I103 HydrophobicContact CD1-CG2 4.16Å; I89-I103 HydrophobicContact CG2-CD1 3.54Å; I89-I103 HydrophobicContact CG2-CG2 4.18Å; V101-I103 HydrophobicContact CG1-CG1 4.18Å; I103-V105 HydrophobicContact CG2-CG1 3.75Å; I103-E120 WeakPolarHBondContact O-CA 3.33Å; I103-L121 HydrophobicContact CB-CD1 3.95Å; I103-L121 HydrophobicContact CB-CG 4.43Å; I103-L121 HydrophobicContact CD1-CD1 4.46Å; I103-L121 HydrophobicContact CG2-CD1 4.5Å; I103-L121 PolarHBondContact N-O 3.01Å; I103-L121 PolarHBondContact O-N 2.83Å; I103-L121 VanDerWaalsContact O-O 3.1Å; I103-L123 HydrophobicContact CD1-CD1 3.46Å; I103-L123 VanDerWaalsContact CD1-CD1 3.46Å; I103-L123 HydrophobicContact CD1-CG 3.88Å |
| 104 | C | 91.5 | Very high | 80.8 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.1 | 170.9 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | I119 E120 | C104-I119 WeakPolarHBondContact CA-O 3.42Å; C104-E120 HydrophobicContact CB-CG 3.95Å |
| 105 | V | 90.9 | Very high | 80.8 | Confident | 41 Ų | 41 | 74 Ų | 74 | 25% | 0.248 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.5 | -176.5 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | A87 I89 I103 T118 I119 | A87-V105 HydrophobicContact CB-CB 4.34Å; A87-V105 HydrophobicContact CB-CG2 3.63Å; I89-V105 HydrophobicContact CD1-CG2 3.97Å; I89-V105 HydrophobicContact CG1-CG2 4.27Å; I103-V105 HydrophobicContact CG2-CG1 3.75Å; V105-T118 CarbonylContact O-C 3.49Å; V105-T118 WeakPolarHBondContact O-CA 3.41Å; V105-I119 HydrophobicContact CG2-CG2 3.65Å; V105-I119 PolarHBondContact N-O 3.14Å; V105-I119 PolarHBondContact O-N 3.12Å |
| 106 | V | 92.7 | Very high | 80.9 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.9 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | D114 T115 T118 | V106-D114 HydrophobicContact CG1-CB 3.84Å; V106-T115 WeakPolarHBondContact CG1-O 3.41Å; V106-T118 HydrophobicContact CG2-CG2 4.18Å |
| 107 | L | 93.1 | Very high | 81.8 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 140.6 | 175.6 | -67.7 | 170.9 | 0 | 0 | 0 | 110.2 | L14 V72 A87 T115 S117 I119 | L14-L107 HydrophobicContact CD2-CD1 3.8Å; V72-L107 HydrophobicContact CB-CD1 4.23Å; V72-L107 HydrophobicContact CG2-CD1 3.6Å; V72-L107 HydrophobicContact CG2-CD2 3.95Å; V72-L107 HydrophobicContact CG2-CG 4.46Å; A87-L107 HydrophobicContact CB-CD2 4.25Å; L107-T115 VanDerWaalsContact O-CB 3.29Å; L107-T115 WeakPolarHBondContact O-CB 3.46Å; L107-T115 WeakPolarHBondContact O-CG2 3.41Å; L107-T115 PolarHBondContact O-N 2.93Å; L107-T115 PolarHBondContact O-OG1 2.74Å; L107-S117 PolarHBondContact N-O 2.76Å; L107-I119 HydrophobicContact CD2-CB 4.26Å; L107-I119 HydrophobicContact CD2-CG2 3.67Å; L107-I119 HydrophobicContact CG-CB 4.4Å; L107-I119 HydrophobicContact CG-CG2 4.14Å |
| 108 | Q | 89.9 | Confident | 83 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 31% | 0.308 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.1 | 175.5 | -67.5 | -177.4 | -17.4 | 0 | 0 | 112 | G85 Q86 Q113 D114 | G85-Q108 CarbonylContact C-O 3.55Å; G85-Q108 VanDerWaalsContact CA-O 3.31Å; G85-Q108 WeakPolarHBondContact CA-O 3.47Å; Q86-Q108 PolarHBondContact N-O 2.73Å; Q86-Q108 WeakPolarHBondContact O-CB 3.23Å; Q86-Q108 PolarHBondContact O-N 2.72Å; Q108-Q113 CarbonylContact C-O 3.02Å; Q108-Q113 VanDerWaalsContact CA-O 3.24Å; Q108-Q113 WeakPolarHBondContact CA-O 3.48Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.42Å; Q108-D114 PolarHBondContact NE2-OD1 2.8Å |
| 109 | N | 85 | Confident | 84.4 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | trans | -75.7 | 178.2 | 173 | 75 | 20.7 | 0 | 0 | 0 | 111.9 | K111 G112 Q113 T115 | N109-K111 PolarHBondContact O-N 3.07Å; N109-K111 WeakPolarHBondContact OD1-CA 3.38Å; N109-K111 WeakPolarHBondContact OD1-CB 3.28Å; N109-K111 PolarHBondContact OD1-N 2.92Å; N109-G112 PolarHBondContact O-N 3.03Å; N109-G112 PolarHBondContact OD1-N 3.29Å; N109-Q113 PolarHBondContact N-O 3.27Å; N109-Q113 PolarHBondContact ND2-OE1 2.98Å; N109-Q113 PolarHBondContact OD1-N 2.82Å; N109-T115 HydrophobicContact CB-CG2 4.15Å | ||
| 110 | K | 77.9 | Confident | 85.2 | Confident | 167 Ų | 167 | 66.4 Ų | 66.4 | 73% | 0.726 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.3 | -180 | -66.9 | -170.9 | 179.2 | -179.9 | 0 | 115 | F83 | F83-K110 HydrophobicContact CD1-CD 4.22Å; F83-K110 HydrophobicContact CD1-CG 3.5Å; F83-K110 VanDerWaalsContact CD1-CG 3.5Å; F83-K110 HydrophobicContact CE1-CB 4.49Å; F83-K110 HydrophobicContact CE1-CG 3.56Å; F83-K110 HydrophobicContact CG-CG 4.19Å; F83-K110 HydrophobicContact CZ-CG 4.29Å |
| 111 | K | 71.9 | Confident | 85.9 | Confident | 151 Ų | 151 | 62.9 Ų | 62.9 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 7.9 | 177.7 | -60.3 | -170.4 | -179.9 | -171.4 | 0 | 113 | N109 Y455 | N109-K111 PolarHBondContact O-N 3.07Å; N109-K111 WeakPolarHBondContact OD1-CA 3.38Å; N109-K111 WeakPolarHBondContact OD1-CB 3.28Å; N109-K111 PolarHBondContact OD1-N 2.92Å; K111-Y455 WeakPolarHBondContact CD-OH 2.98Å; K111-Y455 PolarHBondContact NZ-OH 3.16Å |
| 112 | G | 75.7 | Confident | 86.2 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 79.3 | 14.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | N109 | N109-G112 PolarHBondContact O-N 3.03Å; N109-G112 PolarHBondContact OD1-N 3.29Å |
| 113 | Q | 73.1 | Confident | 86.4 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 46% | 0.458 | 30% | 0.298 | S | S | . | . | trans | -92.5 | 133.9 | 176.3 | -56.5 | 168.7 | -51.8 | 0 | 0 | 110.4 | Q108 N109 | Q108-Q113 CarbonylContact C-O 3.02Å; Q108-Q113 VanDerWaalsContact CA-O 3.24Å; Q108-Q113 WeakPolarHBondContact CA-O 3.48Å; N109-Q113 PolarHBondContact N-O 3.27Å; N109-Q113 PolarHBondContact ND2-OE1 2.98Å; N109-Q113 PolarHBondContact OD1-N 2.82Å | ||
| 114 | D | 81.6 | Confident | 86.3 | Confident | 109 Ų | 109 | 60.7 Ų | 60.7 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 141.4 | 175 | -66.8 | -4.3 | 0 | 0 | 0 | 111.9 | V106 Q108 | V106-D114 HydrophobicContact CG1-CB 3.84Å; Q108-D114 WeakPolarHBondContact CG-OD1 3.42Å; Q108-D114 PolarHBondContact NE2-OD1 2.8Å |
| 115 | T | 81.7 | Confident | 86.1 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 176.9 | 178.9 | 68.6 | 0 | 0 | 0 | 0 | 111.1 | V106 L107 N109 S117 | V106-T115 WeakPolarHBondContact CG1-O 3.41Å; L107-T115 VanDerWaalsContact O-CB 3.29Å; L107-T115 WeakPolarHBondContact O-CB 3.46Å; L107-T115 WeakPolarHBondContact O-CG2 3.41Å; L107-T115 PolarHBondContact O-N 2.93Å; L107-T115 PolarHBondContact O-OG1 2.74Å; N109-T115 HydrophobicContact CB-CG2 4.15Å; T115-S117 PolarHBondContact O-N 3.04Å; T115-S117 WeakPolarHBondContact OG1-CB 3.26Å; T115-S117 PolarHBondContact OG1-N 2.81Å |
| 116 | M | 79.5 | Confident | 85.6 | Confident | 163 Ų | 163 | 60.4 Ų | 60.4 | 80% | 0.803 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -0.9 | 170.9 | -66.2 | -62.1 | -65.8 | 0 | 0 | 113.3 | N13 | N13-M116 WeakPolarHBondContact CB-O 3.49Å |
| 117 | S | 88.7 | Confident | 84.6 | Confident | 8 Ų | 8 | 63 Ų | 63 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.6 | -177 | -49.4 | 0 | 0 | 0 | 0 | 111 | N12 N13 L107 T115 | N12-S117 WeakPolarHBondContact O-CA 3.47Å; N13-S117 WeakPolarHBondContact O-CB 3.4Å; N13-S117 PolarHBondContact O-OG 2.84Å; L107-S117 PolarHBondContact N-O 2.76Å; T115-S117 PolarHBondContact O-N 3.04Å; T115-S117 WeakPolarHBondContact OG1-CB 3.26Å; T115-S117 PolarHBondContact OG1-N 2.81Å |
| 118 | T | 90.8 | Very high | 83.1 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 153.2 | 176 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | A11 N12 V105 V106 | A11-T118 CarbonylContact C-O 3.6Å; A11-T118 WeakPolarHBondContact CA-O 3.32Å; A11-T118 WeakPolarHBondContact CB-O 3.48Å; N12-T118 PolarHBondContact N-O 3.47Å; N12-T118 PolarHBondContact ND2-OG1 3.07Å; N12-T118 VanDerWaalsContact ND2-OG1 3.14Å; N12-T118 PolarHBondContact O-N 3.27Å; V105-T118 CarbonylContact O-C 3.49Å; V105-T118 WeakPolarHBondContact O-CA 3.41Å; V106-T118 HydrophobicContact CG2-CG2 4.18Å |
| 119 | I | 94 | Very high | 81.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.5 | 172.2 | -171.3 | 157.8 | 0 | 0 | 0 | 110.5 | V8 A11 V27 W49 I70 V72 C104 V105 L107 | V8-I119 HydrophobicContact CG1-CD1 4.37Å; A11-I119 HydrophobicContact CB-CB 4.48Å; A11-I119 HydrophobicContact CB-CG1 4.48Å; V27-I119 HydrophobicContact CG1-CD1 4.09Å; V27-I119 HydrophobicContact CG2-CD1 3.83Å; W49-I119 HydrophobicContact CZ3-CD1 4.38Å; I70-I119 HydrophobicContact CG2-CD1 3.82Å; V72-I119 HydrophobicContact CG2-CD1 3.82Å; C104-I119 WeakPolarHBondContact CA-O 3.42Å; V105-I119 HydrophobicContact CG2-CG2 3.65Å; V105-I119 PolarHBondContact N-O 3.14Å; V105-I119 PolarHBondContact O-N 3.12Å; L107-I119 HydrophobicContact CD2-CB 4.26Å; L107-I119 HydrophobicContact CD2-CG2 3.67Å; L107-I119 HydrophobicContact CG-CB 4.4Å; L107-I119 HydrophobicContact CG-CG2 4.14Å |
| 120 | E | 92.6 | Very high | 79 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.1 | 177.6 | -72.6 | 172.5 | -129.3 | 0 | 0 | 109.8 | K9 K10 N12 I103 C104 | K9-E120 WeakPolarHBondContact CA-O 3.36Å; K9-E120 WeakPolarHBondContact CB-O 3.5Å; K9-E120 PolarHBondContact N-O 2.99Å; K10-E120 WeakPolarHBondContact CE-OE1 3.47Å; K10-E120 WeakPolarHBondContact CE-OE2 3.44Å; K10-E120 HydrophobicContact CG-CB 4.12Å; K10-E120 PolarHBondContact N-O 2.95Å; K10-E120 VanDerWaalsContact N-O 3.17Å; K10-E120 IonicContact NZ-OE1 3.55Å; K10-E120 PolarHBondContact NZ-OE1 3.44Å; K10-E120 IonicContact NZ-OE2 2.73Å; K10-E120 PolarHBondContact NZ-OE2 2.99Å; K10-E120 PolarHBondContact O-N 2.93Å; N12-E120 PolarHBondContact ND2-OE1 3.38Å; N12-E120 VanDerWaalsContact ND2-OE1 3.12Å; I103-E120 WeakPolarHBondContact O-CA 3.33Å; C104-E120 HydrophobicContact CB-CG 3.95Å |
| 121 | L | 93.9 | Very high | 76.9 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 165.6 | 178.2 | 57.6 | 90.5 | 0 | 0 | 0 | 110.5 | N7 I70 I89 I103 L123 | N7-L121 CarbonylContact O-C 3.58Å; N7-L121 WeakPolarHBondContact O-CA 3.22Å; N7-L121 WeakPolarHBondContact O-CB 3.38Å; I70-L121 HydrophobicContact CD1-CD2 4.05Å; I70-L121 HydrophobicContact CG1-CD2 3.89Å; I70-L121 HydrophobicContact CG2-CD2 4.49Å; I89-L121 HydrophobicContact CD1-CD1 4.2Å; I89-L121 HydrophobicContact CD1-CD2 3.76Å; I89-L121 HydrophobicContact CD1-CG 4.39Å; I103-L121 HydrophobicContact CB-CD1 3.95Å; I103-L121 HydrophobicContact CB-CG 4.43Å; I103-L121 HydrophobicContact CD1-CD1 4.46Å; I103-L121 HydrophobicContact CG2-CD1 4.5Å; I103-L121 PolarHBondContact N-O 3.01Å; I103-L121 PolarHBondContact O-N 2.83Å; I103-L121 VanDerWaalsContact O-O 3.1Å; L121-L123 HydrophobicContact CD1-CD1 4.48Å; L121-L123 HydrophobicContact CD1-CD2 3.72Å; L121-L123 HydrophobicContact CD1-CG 3.8Å |
| 122 | S | 90.6 | Very high | 74.8 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.014 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.7 | 166.1 | 45.8 | 0 | 0 | 0 | 0 | 112.2 | N7 K9 E100 V101 | N7-S122 PolarHBondContact N-O 3.42Å; N7-S122 PolarHBondContact O-N 3.06Å; K9-S122 WeakPolarHBondContact CE-OG 3.38Å; K9-S122 PolarHBondContact NZ-OG 3.12Å; E100-S122 VanDerWaalsContact OE2-CB 3.3Å; E100-S122 WeakPolarHBondContact OE2-CB 3.04Å; E100-S122 PolarHBondContact OE2-OG 3.17Å; V101-S122 CarbonylContact O-C 3.59Å; V101-S122 VanDerWaalsContact O-CA 3.24Å; V101-S122 WeakPolarHBondContact O-CA 3.21Å |
| 123 | L | 91.8 | Very high | 72.4 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.9 | 179.9 | -60.4 | -174 | 0 | 0 | 0 | 110.5 | H5 V6 V68 I89 L91 V94 E100 V101 I103 L121 | H5-L123 WeakPolarHBondContact O-CA 3.18Å; V6-L123 HydrophobicContact CB-CD2 4.06Å; V6-L123 HydrophobicContact CG1-CD2 3.79Å; V6-L123 HydrophobicContact CG2-CD2 3.77Å; V68-L123 HydrophobicContact CG1-CD1 4.48Å; I89-L123 HydrophobicContact CG2-CD1 4.22Å; L91-L123 HydrophobicContact CD2-CD1 3.43Å; L91-L123 VanDerWaalsContact CD2-CD1 3.43Å; V94-L123 HydrophobicContact CG1-CB 4.24Å; V94-L123 HydrophobicContact CG2-CB 3.69Å; V94-L123 HydrophobicContact CG2-CD1 3.74Å; V94-L123 HydrophobicContact CG2-CG 4.38Å; E100-L123 CarbonylContact C-O 3.57Å; E100-L123 WeakPolarHBondContact CA-O 3.33Å; V101-L123 PolarHBondContact N-O 3.4Å; V101-L123 PolarHBondContact O-N 2.68Å; I103-L123 HydrophobicContact CD1-CD1 3.46Å; I103-L123 VanDerWaalsContact CD1-CD1 3.46Å; I103-L123 HydrophobicContact CD1-CG 3.88Å; L121-L123 HydrophobicContact CD1-CD1 4.48Å; L121-L123 HydrophobicContact CD1-CD2 3.72Å; L121-L123 HydrophobicContact CD1-CG 3.8Å |
| 124 | R | 86.5 | Confident | 70.1 | Confident | 110 Ų | 110 | 82.3 Ų | 82.3 | 42% | 0.415 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.5 | 172.2 | 173.1 | 178.4 | 176.1 | -160.3 | -5.9 | 110 | H5 E100 | H5-R124 HydrophobicContact CB-CB 4.15Å; H5-R124 WeakPolarHBondContact CB-O 3.36Å; H5-R124 PolarHBondContact N-O 2.9Å; H5-R124 PolarHBondContact O-N 3.36Å; E100-R124 HydrophobicContact CG-CB 3.75Å |
| 125 | Y | 86.9 | Confident | 67.3 | Low | 28 Ų | 28 | 82.6 Ų | 82.6 | 11% | 0.11 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.7 | 179 | 178.9 | -133.5 | 0 | 0 | 0 | 109.8 | Y2 A3 L57 P61 L62 | Y2-Y125 HydrophobicContact CD1-CE2 4.04Å; Y2-Y125 AromaticContact CD1-CZ 3.75Å; Y2-Y125 WeakPolarHBondContact CD1-OH 3.24Å; A3-Y125 WeakPolarHBondContact O-CD2 3.33Å; L57-Y125 HydrophobicContact CD1-CD2 4.16Å; L57-Y125 HydrophobicContact CD1-CE2 3.62Å; P61-Y125 VanDerWaalsContact CA-OH 3.23Å; P61-Y125 WeakPolarHBondContact CA-OH 3.49Å; P61-Y125 WeakPolarHBondContact CB-OH 3.44Å; L62-Y125 HydrophobicContact CB-CE2 4.43Å; L62-Y125 HydrophobicContact CD1-CD2 3.7Å; L62-Y125 HydrophobicContact CD1-CE2 3.95Å; L62-Y125 HydrophobicContact CD1-CG 4.08Å; L62-Y125 HydrophobicContact CG-CD2 4.3Å; L62-Y125 HydrophobicContact CG-CE2 4.04Å; L62-Y125 PolarHBondContact N-OH 3.24Å |
| 126 | E | 80.3 | Confident | 64.5 | Low | 87 Ų | 87 | 85.1 Ų | 85.1 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.2 | 176 | -173.1 | 175 | -143.4 | 0 | 0 | 110.9 | Y2 A3 H5 | Y2-E126 WeakPolarHBondContact CA-O 3.42Å; A3-E126 HydrophobicContact CB-CB 4.4Å; A3-E126 PolarHBondContact N-O 2.88Å; A3-E126 PolarHBondContact O-N 3Å; H5-E126 IonicContact NE2-OE2 3.87Å |
| 127 | F | 71.9 | Confident | 61.8 | Low | 116 Ų | 116 | 83.7 Ų | 83.7 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | trans | -114.9 | 145.6 | 178.1 | 44.2 | -93.4 | 0 | 0 | 0 | 111.4 | Y2 Q129 | Y2-F127 HydrophobicContact CD1-CB 4.5Å; Y2-F127 HydrophobicContact CE1-CB 4.2Å; F127-Q129 PolarHBondContact O-N 2.82Å | ||
| 128 | P | 62 | Low | 58.7 | Low | 58 Ų | 58 | 91.1 Ų | 91.1 | 38% | 0.377 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -62 | 129.6 | -178.6 | -16.9 | 26.6 | 0 | 0 | 0 | 113.4 | Y2 | Y2-P128 HydrophobicContact CD1-CG 4.48Å; Y2-P128 HydrophobicContact CD2-CG 4.22Å; Y2-P128 VanDerWaalsContact CE1-CD 3.47Å; Y2-P128 HydrophobicContact CE1-CG 4.35Å; Y2-P128 HydrophobicContact CE2-CG 4.05Å; Y2-P128 HydrophobicContact CG-CG 4.43Å |
| 129 | Q | 50.1 | Low | 55.5 | Low | 174 Ų | 174 | 96.6 Ų | 96.6 | 81% | 0.813 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 123.6 | 169.7 | -64.8 | -170.6 | 8 | 0 | 0 | 111.3 | F127 | F127-Q129 PolarHBondContact O-N 2.82Š|
| 130 | T | 38.7 | Very low | 52.2 | Low | 143 Ų | 143 | 105 Ų | 105 | 88% | 0.877 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 125.3 | -177.1 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 131 | T | 33.5 | Very low | 48.8 | Very low | 141 Ų | 141 | 111.3 Ų | 111.3 | 87% | 0.865 | 58% | 0.584 | S | S | * | * | trans | -121 | 141.7 | 167.6 | -31.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 132 | K | 26.5 | Very low | 45.6 | Very low | 211 Ų | 211 | 115.3 Ų | 115.3 | 92% | 0.917 | 63% | 0.625 | S | S | * | * | trans | -81.9 | 128.4 | -168.5 | -73.6 | 177.5 | 173.7 | 177.5 | 0 | 113.7 | ||||
| 133 | G | 25.3 | Very low | 42.4 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | 79.9 | 124.6 | 139.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 134 | L | 25.4 | Very low | 39.3 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 92% | 0.921 | 70% | 0.704 | S | S | * | * | -165.6 | 163.8 | 122.6 | -102.6 | 159.4 | 0 | 0 | 0 | 110.3 | |||||
| 135 | T | 23.4 | Very low | 36.2 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | -106.4 | 149.6 | -162 | 48 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 136 | S | 22.4 | Very low | 33.5 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | 50.5 | 113.3 | 141.9 | 64.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 137 | N | 23 | Very low | 30.9 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | 168 | 167.6 | 110.5 | -95.5 | 8 | 0 | 0 | 0 | 114.8 | |||||
| 138 | E | 24.1 | Very low | 28.5 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 75 | 80.7 | 150.2 | -76 | 143.9 | -130 | 0 | 0 | 120.3 | ||||
| 139 | I | 22.3 | Very low | 27 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | 12.1 | 126.4 | 111.5 | -48.4 | 170.4 | 0 | 0 | 0 | 117.4 | |||||
| 140 | E | 24.5 | Very low | 25.7 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | 175.7 | 113.4 | 128.2 | -97.1 | 176.2 | -175 | 0 | 0 | 108.9 | |||||
| 141 | Q | 22.5 | Very low | 25.1 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | 55.4 | 113.2 | 89.2 | -69.2 | -162.1 | 3.7 | 0 | 0 | 116.1 | |||||
| 142 | G | 26.4 | Very low | 24.6 | Very low | 86 Ų | 86 | 134 Ų | 134 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -165.7 | 101.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 143 | S | 22.1 | Very low | 24.6 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -100.9 | 139.2 | -179 | 165.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 144 | V | 26.9 | Very low | 24.5 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -142.4 | 140.3 | 158.7 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 145 | S | 22.9 | Very low | 24.4 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -143.7 | 132.7 | -177.2 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 146 | D | 29.7 | Very low | 24.4 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -161.5 | 117.5 | 159.5 | -93 | -40.9 | 0 | 0 | 0 | 108.2 | ||||
| 147 | K | 25.1 | Very low | 24.4 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | 68.2 | 95.8 | 89.5 | -74 | -175.8 | 179.9 | 169.3 | 0 | 114.2 | |||||
| 148 | V | 22.4 | Very low | 24.4 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | 66.5 | 109.3 | 90.5 | -177.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 149 | D | 29.3 | Very low | 24.3 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | trans | -158.5 | 156.9 | 137 | -117 | -24.8 | 0 | 0 | 0 | 111.8 | ||||
| 150 | A | 23.9 | Very low | 24.3 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -122.5 | 145.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 151 | G | 25.4 | Very low | 24.2 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | 177.1 | 118.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 152 | G | 23.5 | Very low | 24.2 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -106.7 | 153.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 153 | A | 25.8 | Very low | 23.9 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -150.6 | 141.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 154 | V | 23.1 | Very low | 24 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -101.9 | 122.2 | -174.9 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 155 | D | 24.8 | Very low | 23.8 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -149 | 151.7 | 152.5 | -153.3 | -2.7 | 0 | 0 | 0 | 110.9 | ||||
| 156 | V | 22.3 | Very low | 23.7 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -111.2 | 119.4 | -160 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 157 | G | 23 | Very low | 23.5 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | trans | 178 | 95 | 176 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 158 | L | 22 | Very low | 23.3 | Very low | 182 Ų | 182 | 121.5 Ų | 121.5 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | trans | 46.5 | 77.2 | 144.3 | -71.3 | 146.9 | 0 | 0 | 0 | 117.3 | ||||
| 159 | R | 21.9 | Very low | 23.4 | Very low | 237 Ų | 237 | 122.1 Ų | 122.1 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -132.6 | 97.2 | 153.1 | -80.2 | -166.5 | 170.8 | -153.9 | -3 | 111.5 | S161 | R159-S161 PolarHBondContact O-N 3.38Š| ||
| 160 | G | 22.8 | Very low | 23.2 | Very low | 90 Ų | 90 | 121.9 Ų | 121.9 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 105 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 161 | S | 22.6 | Very low | 23.3 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -98.1 | 107.9 | 169.7 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | R159 G163 | R159-S161 PolarHBondContact O-N 3.38Å; S161-G163 PolarHBondContact O-N 2.91Å | ||
| 162 | G | 21.9 | Very low | 23.3 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -74.8 | 111.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 163 | G | 21.4 | Very low | 23.5 | Very low | 61 Ų | 61 | 132.6 Ų | 132.6 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | -90 | 123.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | S161 | S161-G163 PolarHBondContact O-N 2.91Š| ||
| 164 | T | 22.7 | Very low | 23.6 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | 63.7 | 85.5 | 80.4 | 64.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 165 | G | 22.7 | Very low | 23.8 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -110.8 | 135.1 | 130.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 166 | T | 22.4 | Very low | 23.9 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | cis | 69.8 | 85.1 | 36.4 | 76.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 167 | D | 23.5 | Very low | 24.2 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | 51.2 | 98.7 | 130.2 | -51.6 | -27.9 | 0 | 0 | 0 | 118.7 | ||||
| 168 | V | 22.3 | Very low | 24.6 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 122.8 | 144.1 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 169 | N | 23.9 | Very low | 24.9 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 144.6 | -176.6 | -161.5 | 5 | 0 | 0 | 0 | 111 | ||
| 170 | E | 24.4 | Very low | 25.2 | Very low | 166 Ų | 166 | 116.7 Ų | 116.7 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 147.5 | -177.9 | -66.2 | 170.2 | 128.7 | 0 | 0 | 111.7 | ||
| 171 | K | 26.1 | Very low | 25.3 | Very low | 184 Ų | 184 | 116.2 Ų | 116.2 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 140.7 | 165.7 | -100.9 | -179.9 | 177 | 173.1 | 0 | 109.5 | ||
| 172 | D | 26.7 | Very low | 25.6 | Very low | 150 Ų | 150 | 119.8 Ų | 119.8 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -50 | 140.6 | 159.5 | -62.9 | -70.8 | 0 | 0 | 0 | 111.4 | ||
| 173 | I | 27.8 | Very low | 25.5 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | -156.6 | 118.9 | 128.4 | -91.5 | 138.3 | 0 | 0 | 0 | 108 | |||||
| 174 | L | 26.3 | Very low | 25.7 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | trans | -106.8 | 143.1 | 164.5 | -92.4 | 155.2 | 0 | 0 | 0 | 108.6 | ||||
| 175 | D | 27.5 | Very low | 25.9 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | trans | 129.7 | 115.4 | 136.6 | -149.8 | 19.1 | 0 | 0 | 0 | 113.3 | ||||
| 176 | D | 26.6 | Very low | 26.2 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 56% | 0.556 | 71% | 0.708 | S | S | * | * | trans | -137.8 | 115.5 | -168.5 | -157.9 | 29.6 | 0 | 0 | 0 | 109 | L187 | D176-L187 HydrophobicContact CB-CD2 4.36Å; D176-L187 WeakPolarHBondContact OD1-CD2 3.26Å; D176-L187 VanDerWaalsContact OD2-CD2 3.31Å; D176-L187 WeakPolarHBondContact OD2-CD2 3.25Å | ||
| 177 | Q | 29.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 135 Ų | 135 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | trans | -133.9 | 121.7 | -177.3 | -84.4 | -156.6 | 18.3 | 0 | 0 | 115.2 | ||||
| 178 | A | 30.5 | Very low | 26.6 | Very low | 25 Ų | 25 | 131.3 Ų | 131.3 | 21% | 0.207 | 69% | 0.692 | C | S | . | * | trans | 55 | 117.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | I184 K185 K186 | A178-I184 CarbonylContact C-O 3.57Å; A178-I184 VanDerWaalsContact C-O 3.22Å; A178-I184 HydrophobicContact CB-CG2 3.84Å; A178-K185 HydrophobicContact CB-CB 3.92Å; A178-K185 HydrophobicContact CB-CD 4.2Å; A178-K185 WeakPolarHBondContact O-CB 3.39Å; A178-K186 CarbonylContact O-C 3.56Å; A178-K186 VanDerWaalsContact O-C 3.32Å | ||
| 179 | G | 28.3 | Very low | 26.9 | Very low | 22 Ų | 22 | 126.7 Ų | 126.7 | 23% | 0.227 | 68% | 0.675 | C | S | . | * | cis | 151.4 | -128.6 | 2.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I184 K186 L187 | G179-I184 CarbonylContact C-O 3.12Å; G179-I184 WeakPolarHBondContact CA-O 3.41Å; G179-I184 PolarHBondContact N-O 3.42Å; G179-K186 VanDerWaalsContact N-N 3.2Å; G179-K186 CarbonylContact O-C 3.58Å; G179-K186 WeakPolarHBondContact O-CA 3.22Å; G179-K186 PolarHBondContact O-N 3.29Å; G179-L187 PolarHBondContact O-N 3.12Å | ||
| 180 | A | 29 | Very low | 27.4 | Very low | 65 Ų | 65 | 126.4 Ų | 126.4 | 54% | 0.537 | 67% | 0.673 | S | S | . | * | trans | -126.8 | 145.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K182 I184 | A180-K182 WeakPolarHBondContact O-CB 3.37Å; A180-I184 PolarHBondContact N-O 2.9Å; A180-I184 CarbonylContact O-C 3.5Å; A180-I184 WeakPolarHBondContact O-CA 3.38Å; A180-I184 WeakPolarHBondContact O-CB 3.29Å; A180-I184 PolarHBondContact O-N 2.92Å | ||
| 181 | G | 24.3 | Very low | 28 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 81% | 0.814 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 107 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 182 | K | 29.1 | Very low | 28.6 | Very low | 187 Ų | 187 | 119.6 Ų | 119.6 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | cis | 54.3 | 0.8 | -15.1 | -121.8 | -167.3 | -173.8 | -173.3 | 0 | 122.2 | A180 I184 | A180-K182 WeakPolarHBondContact O-CB 3.37Å; K182-I184 HydrophobicContact CB-CD1 4.47Å; K182-I184 HydrophobicContact CB-CG1 4.39Å; K182-I184 HydrophobicContact CD-CD1 3.92Å; K182-I184 PolarHBondContact O-N 2.9Å; K182-I184 VanDerWaalsContact O-N 3.14Å |
| 183 | R | 20.2 | Very low | 29.5 | Very low | 250 Ų | 250 | 118.8 Ų | 118.8 | 94% | 0.943 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50 | 15.6 | -165.9 | -101.9 | -178.1 | 176.6 | 175.6 | -1.2 | 117.8 | K185 | R183-K185 VanDerWaalsContact C-N 3.27Å; R183-K185 PolarHBondContact O-N 2.96Å |
| 184 | I | 25.3 | Very low | 30.6 | Very low | 88 Ų | 88 | 114.5 Ų | 114.5 | 45% | 0.451 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -90 | 36.8 | 172.8 | -48.3 | 173.2 | 0 | 0 | 0 | 110.9 | A178 G179 A180 K182 | A178-I184 CarbonylContact C-O 3.57Å; A178-I184 VanDerWaalsContact C-O 3.22Å; A178-I184 HydrophobicContact CB-CG2 3.84Å; G179-I184 CarbonylContact C-O 3.12Å; G179-I184 WeakPolarHBondContact CA-O 3.41Å; G179-I184 PolarHBondContact N-O 3.42Å; A180-I184 PolarHBondContact N-O 2.9Å; A180-I184 CarbonylContact O-C 3.5Å; A180-I184 WeakPolarHBondContact O-CA 3.38Å; A180-I184 WeakPolarHBondContact O-CB 3.29Å; A180-I184 PolarHBondContact O-N 2.92Å; K182-I184 HydrophobicContact CB-CD1 4.47Å; K182-I184 HydrophobicContact CB-CG1 4.39Å; K182-I184 HydrophobicContact CD-CD1 3.92Å; K182-I184 PolarHBondContact O-N 2.9Å; K182-I184 VanDerWaalsContact O-N 3.14Å |
| 185 | K | 27.8 | Very low | 32 | Very low | 166 Ų | 166 | 115 Ų | 115 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | trans | 84.8 | -12.6 | 142 | -147.2 | -153.9 | 179.1 | -167.4 | 0 | 126.2 | A178 R183 | A178-K185 HydrophobicContact CB-CB 3.92Å; A178-K185 HydrophobicContact CB-CD 4.2Å; A178-K185 WeakPolarHBondContact O-CB 3.39Å; R183-K185 VanDerWaalsContact C-N 3.27Å; R183-K185 PolarHBondContact O-N 2.96Å | ||
| 186 | K | 28.5 | Very low | 34 | Very low | 190 Ų | 190 | 110.3 Ų | 110.3 | 83% | 0.826 | 61% | 0.605 | S | S | * | * | trans | 74.5 | 107.3 | -170.3 | -84.7 | -169.7 | 167.4 | -171.4 | 0 | 116 | A178 G179 | A178-K186 CarbonylContact O-C 3.56Å; A178-K186 VanDerWaalsContact O-C 3.32Å; G179-K186 VanDerWaalsContact N-N 3.2Å; G179-K186 CarbonylContact O-C 3.58Å; G179-K186 WeakPolarHBondContact O-CA 3.22Å; G179-K186 PolarHBondContact O-N 3.29Å | ||
| 187 | L | 26.5 | Very low | 36 | Very low | 84 Ų | 84 | 107.1 Ų | 107.1 | 44% | 0.44 | 59% | 0.591 | S | S | . | * | trans | -94.6 | 111.5 | -179.6 | -118.2 | 164 | 0 | 0 | 0 | 111 | D176 G179 G189 | D176-L187 HydrophobicContact CB-CD2 4.36Å; D176-L187 WeakPolarHBondContact OD1-CD2 3.26Å; D176-L187 VanDerWaalsContact OD2-CD2 3.31Å; D176-L187 WeakPolarHBondContact OD2-CD2 3.25Å; G179-L187 PolarHBondContact O-N 3.12Å; L187-G189 PolarHBondContact O-N 2.88Å | ||
| 188 | G | 27.9 | Very low | 38.1 | Very low | 70 Ų | 70 | 105.6 Ų | 105.6 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | trans | -92.4 | 62.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L190 | G188-L190 PolarHBondContact O-N 3.38Š| ||
| 189 | G | 28.2 | Very low | 40.1 | Very low | 53 Ų | 53 | 109.7 Ų | 109.7 | 55% | 0.546 | 61% | 0.606 | S | S | . | * | trans | -82.2 | 72 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L187 A191 | L187-G189 PolarHBondContact O-N 2.88Å; G189-A191 PolarHBondContact O-N 2.9Å; G189-A191 VanDerWaalsContact O-N 3.12Å | ||
| 190 | L | 34.2 | Very low | 42.2 | Very low | 145 Ų | 145 | 111.8 Ų | 111.8 | 76% | 0.759 | 61% | 0.608 | S | S | * | * | trans | -56.7 | 118.9 | 160.4 | -98.2 | 122.9 | 0 | 0 | 0 | 105.8 | G188 V192 | G188-L190 PolarHBondContact O-N 3.38Å; L190-V192 PolarHBondContact O-N 3.31Å | ||
| 191 | A | 38 | Very low | 43.9 | Very low | 89 Ų | 89 | 110.8 Ų | 110.8 | 74% | 0.736 | 59% | 0.593 | S | S | * | * | trans | -48.9 | 118.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | G189 R193 | G189-A191 PolarHBondContact O-N 2.9Å; G189-A191 VanDerWaalsContact O-N 3.12Å; A191-R193 PolarHBondContact O-N 3Å | ||
| 192 | V | 39 | Very low | 45.8 | Very low | 118 Ų | 118 | 107.3 Ų | 107.3 | 72% | 0.715 | 56% | 0.555 | S | S | * | * | trans | -58.4 | 104.8 | -168.1 | 176.9 | 0 | 0 | 0 | 0 | 106.5 | L190 P194 | L190-V192 PolarHBondContact O-N 3.31Å; V192-P194 VanDerWaalsContact O-N 3.11Å | ||
| 193 | R | 44.3 | Very low | 48.2 | Very low | 133 Ų | 133 | 98.4 Ų | 98.4 | 50% | 0.502 | 52% | 0.517 | S | S | . | . | trans | -48.2 | 125.2 | 172.3 | -87.1 | 178.4 | 161 | -162.1 | -13.8 | 105.2 | A191 Q195 D263 | A191-R193 PolarHBondContact O-N 3Å; R193-Q195 PolarHBondContact O-N 3.11Å; R193-Q195 VanDerWaalsContact O-N 3.12Å; R193-D263 IonicContact CZ-OD1 2.75Å; R193-D263 IonicContact CZ-OD2 3.41Å; R193-D263 IonicContact NH1-OD1 2.83Å; R193-D263 PolarHBondContact NH1-OD1 3.39Å; R193-D263 IonicContact NH1-OD2 2.65Å; R193-D263 PolarHBondContact NH1-OD2 3.35Å; R193-D263 IonicContact NH2-OD1 2.79Å; R193-D263 PolarHBondContact NH2-OD1 3.03Å; R193-D263 IonicContact NH2-OD2 2.94Å | ||
| 194 | P | 52.3 | Low | 51.1 | Low | 71 Ų | 71 | 87 Ų | 87 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | trans | -48.3 | 129.5 | 177.9 | 18.3 | -30 | 0 | 0 | 0 | 107.1 | V192 Y196 | V192-P194 VanDerWaalsContact O-N 3.11Å; P194-Y196 HydrophobicContact CG-CE1 4.17Å; P194-Y196 HydrophobicContact CG-CE2 3.83Å; P194-Y196 VanDerWaalsContact O-CD2 3.3Å; P194-Y196 WeakPolarHBondContact O-CD2 3.37Å; P194-Y196 PolarHBondContact O-N 3.35Å | ||
| 195 | Q | 55.7 | Low | 54 | Low | 176 Ų | 176 | 82.9 Ų | 82.9 | 82% | 0.822 | 45% | 0.453 | S | S | * | . | trans | -69.9 | 82.2 | -175.9 | -87.2 | -171.9 | -22.3 | 0 | 0 | 108.5 | R193 | R193-Q195 PolarHBondContact O-N 3.11Å; R193-Q195 VanDerWaalsContact O-N 3.12Å | ||
| 196 | Y | 67.8 | Low | 56.8 | Low | 47 Ų | 47 | 77 Ų | 77 | 18% | 0.184 | 43% | 0.426 | C | S | . | . | trans | -54.4 | 143.9 | 173.8 | -70.8 | -59 | 0 | 0 | 0 | 109.3 | P194 T198 A258 L262 Y293 E294 | P194-Y196 HydrophobicContact CG-CE1 4.17Å; P194-Y196 HydrophobicContact CG-CE2 3.83Å; P194-Y196 VanDerWaalsContact O-CD2 3.3Å; P194-Y196 WeakPolarHBondContact O-CD2 3.37Å; P194-Y196 PolarHBondContact O-N 3.35Å; Y196-T198 PolarHBondContact O-N 3.09Å; Y196-A258 HydrophobicContact CD1-CB 4.43Å; Y196-A258 HydrophobicContact CG-CB 4.49Å; Y196-L262 HydrophobicContact CD1-CD1 3.43Å; Y196-L262 VanDerWaalsContact CD1-CD1 3.43Å; Y196-L262 HydrophobicContact CD2-CD1 4.13Å; Y196-L262 HydrophobicContact CE1-CD1 3.38Å; Y196-L262 HydrophobicContact CE2-CD1 4.1Å; Y196-L262 HydrophobicContact CG-CD1 3.81Å; Y196-Y293 HydrophobicContact CE1-CD1 4.19Å; Y196-E294 VanDerWaalsContact OH-CD 3.32Å; Y196-E294 WeakPolarHBondContact OH-CG 3.17Å; Y196-E294 PolarHBondContact OH-OE1 2.98Å | ||
| 197 | S | 70.1 | Confident | 59.7 | Low | 37 Ų | 37 | 68 Ų | 68 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | trans | -49.6 | 115.9 | 178.1 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | K199 Q201 S257 A258 A259 | S197-K199 VanDerWaalsContact C-N 3.26Å; S197-K199 WeakPolarHBondContact OG-CB 3.32Å; S197-K199 PolarHBondContact OG-N 3.28Å; S197-K199 PolarHBondContact OG-O 3.13Å; S197-Q201 VanDerWaalsContact CB-NE2 3.34Å; S197-Q201 PolarHBondContact OG-NE2 3.1Å; S197-S257 WeakPolarHBondContact O-CB 3.43Å; S197-A258 PolarHBondContact O-N 3.11Å; S197-A259 PolarHBondContact O-N 2.83Å | ||
| 198 | T | 72.9 | Confident | 62.7 | Low | 123 Ų | 123 | 65 Ų | 65 | 76% | 0.755 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -78.2 | -13.7 | 167.6 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | Y196 K200 S257 A259 | Y196-T198 PolarHBondContact O-N 3.09Å; T198-K200 PolarHBondContact O-N 3.42Å; T198-S257 WeakPolarHBondContact O-CB 3.49Å; T198-A259 HydrophobicContact CG2-CB 4.18Å |
| 199 | K | 72.1 | Confident | 65.7 | Low | 111 Ų | 111 | 61.7 Ų | 61.7 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -65.1 | 128.8 | 160.5 | -169.9 | -148.9 | 176.7 | -156.7 | 0 | 107.2 | S197 S1554 | S197-K199 VanDerWaalsContact C-N 3.26Å; S197-K199 WeakPolarHBondContact OG-CB 3.32Å; S197-K199 PolarHBondContact OG-N 3.28Å; S197-K199 PolarHBondContact OG-O 3.13Å; K199-S1554 WeakPolarHBondContact CE-O 3.33Å; K199-S1554 PolarHBondContact NZ-O 3.43Å; K199-S1554 PolarHBondContact NZ-OG 2.89Å |
| 200 | K | 72.3 | Confident | 68.5 | Low | 66 Ų | 66 | 59.3 Ų | 59.3 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 142.4 | 170.5 | -55.1 | -164.2 | 171.9 | -120.5 | 0 | 110.3 | T198 F255 D256 S1555 | T198-K200 PolarHBondContact O-N 3.42Å; K200-F255 HydrophobicContact CB-CD2 3.79Å; K200-F255 HydrophobicContact CB-CE2 3.46Å; K200-F255 VanDerWaalsContact CB-CE2 3.46Å; K200-F255 HydrophobicContact CB-CZ 4.27Å; K200-F255 HydrophobicContact CD-CD1 4.3Å; K200-F255 HydrophobicContact CD-CD2 3.87Å; K200-F255 HydrophobicContact CD-CE1 3.88Å; K200-F255 HydrophobicContact CD-CE2 3.54Å; K200-F255 HydrophobicContact CD-CG 4.37Å; K200-F255 HydrophobicContact CD-CZ 3.57Å; K200-F255 HydrophobicContact CG-CD2 4.45Å; K200-F255 HydrophobicContact CG-CE2 4.09Å; K200-F255 HydrophobicContact CG-CZ 4.48Å; K200-D256 VanDerWaalsContact CA-C 3.49Å; K200-D256 WeakPolarHBondContact CA-O 3.26Å; K200-D256 VanDerWaalsContact CE-OD1 3.31Å; K200-D256 WeakPolarHBondContact CE-OD1 3.5Å; K200-D256 IonicContact NZ-OD1 2.75Å; K200-D256 PolarHBondContact NZ-OD1 2.86Å; K200-D256 IonicContact NZ-OD2 3.14Å; K200-D256 PolarHBondContact NZ-OD2 3.44Å; K200-S1555 VanDerWaalsContact C-C 3.46Å; K200-S1555 CarbonylContact C-O 3.58Å; K200-S1555 WeakPolarHBondContact CA-O 3.35Å; K200-S1555 WeakPolarHBondContact CB-O 3.14Å; K200-S1555 CarbonylContact O-C 3.53Å; K200-S1555 WeakPolarHBondContact O-CA 3.41Å |
| 201 | Q | 66.4 | Low | 71.1 | Confident | 44 Ų | 44 | 54 Ų | 54 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 161.3 | 175.3 | -48.3 | -164.6 | 19.7 | 0 | 0 | 111.8 | S197 F203 D256 P330 S1554 S1555 G1556 | S197-Q201 VanDerWaalsContact CB-NE2 3.34Å; S197-Q201 PolarHBondContact OG-NE2 3.1Å; Q201-F203 HydrophobicContact CB-CE2 3.84Å; Q201-F203 HydrophobicContact CB-CZ 3.91Å; Q201-F203 VanDerWaalsContact O-CD2 3.27Å; Q201-F203 WeakPolarHBondContact O-CD2 3.34Å; Q201-F203 WeakPolarHBondContact O-CE2 3.41Å; Q201-D256 PolarHBondContact N-O 2.88Å; Q201-P330 HydrophobicContact CB-CG 4.11Å; Q201-S1554 WeakPolarHBondContact CA-O 3.34Å; Q201-S1554 WeakPolarHBondContact CG-O 3.32Å; Q201-S1555 VanDerWaalsContact CA-O 3.3Å; Q201-S1555 WeakPolarHBondContact CA-O 3.37Å; Q201-S1555 PolarHBondContact N-O 2.9Å; Q201-G1556 VanDerWaalsContact O-CA 3.22Å; Q201-G1556 WeakPolarHBondContact O-CA 3.41Å |
| 202 | D | 63.4 | Low | 73.5 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.032 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 134 | 177.3 | -79 | -68.7 | 0 | 0 | 0 | 112.7 | G329 P330 P1551 S1552 D1553 G1556 L1557 | D202-G329 WeakPolarHBondContact O-CA 3.44Å; D202-P330 WeakPolarHBondContact O-CD 3.43Å; D202-P1551 HydrophobicContact CB-CB 3.87Å; D202-P1551 WeakPolarHBondContact OD1-CA 3.15Å; D202-P1551 WeakPolarHBondContact OD1-CB 3.47Å; D202-P1551 VanDerWaalsContact OD1-CG 3.22Å; D202-P1551 WeakPolarHBondContact OD1-CG 3.24Å; D202-S1552 PolarHBondContact OD1-N 3.46Å; D202-S1552 PolarHBondContact OD2-N 3.19Å; D202-D1553 WeakPolarHBondContact CB-O 3.39Å; D202-D1553 VanDerWaalsContact CG-O 3.25Å; D202-D1553 PolarHBondContact N-O 2.85Å; D202-D1553 WeakPolarHBondContact OD2-CA 3.33Å; D202-D1553 WeakPolarHBondContact OD2-CB 3.44Å; D202-D1553 PolarHBondContact OD2-N 3.35Å; D202-G1556 VanDerWaalsContact CA-CA 3.45Å; D202-G1556 VanDerWaalsContact CG-N 3.26Å; D202-G1556 VanDerWaalsContact N-N 3.15Å; D202-G1556 WeakPolarHBondContact OD1-CA 3.36Å; D202-G1556 VanDerWaalsContact OD2-C 3.24Å; D202-G1556 WeakPolarHBondContact OD2-CA 3.47Å; D202-G1556 PolarHBondContact OD2-N 3.17Å; D202-L1557 PolarHBondContact OD1-N 3.49Å; D202-L1557 VanDerWaalsContact OD1-O 3.13Å; D202-L1557 PolarHBondContact OD2-N 3.4Å |
| 203 | F | 78.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 121.1 | 173.9 | -59.9 | -77.5 | 0 | 0 | 0 | 112 | Q201 N253 F254 A258 M261 Y293 I327 L328 | Q201-F203 HydrophobicContact CB-CE2 3.84Å; Q201-F203 HydrophobicContact CB-CZ 3.91Å; Q201-F203 VanDerWaalsContact O-CD2 3.27Å; Q201-F203 WeakPolarHBondContact O-CD2 3.34Å; Q201-F203 WeakPolarHBondContact O-CE2 3.41Å; F203-N253 WeakPolarHBondContact O-CA 3.43Å; F203-F254 PolarHBondContact N-O 2.67Å; F203-F254 PolarHBondContact O-N 2.79Å; F203-A258 HydrophobicContact CE2-CB 4.29Å; F203-A258 HydrophobicContact CZ-CB 3.89Å; F203-M261 HydrophobicContact CB-CE 3.52Å; F203-M261 HydrophobicContact CB-SD 4.42Å; F203-M261 HydrophobicContact CD1-CE 4.39Å; F203-M261 HydrophobicContact CD2-CB 4.37Å; F203-M261 HydrophobicContact CD2-CE 4.29Å; F203-M261 HydrophobicContact CD2-CG 3.88Å; F203-M261 HydrophobicContact CD2-SD 4.1Å; F203-M261 HydrophobicContact CG-CE 3.82Å; F203-M261 HydrophobicContact CG-CG 4.35Å; F203-M261 HydrophobicContact CG-SD 4.12Å; F203-Y293 HydrophobicContact CD1-CE2 4.17Å; F203-Y293 HydrophobicContact CE1-CD2 4.48Å; F203-Y293 AromaticContact CE1-CE2 3.66Å; F203-Y293 HydrophobicContact CE1-CE2 3.66Å; F203-I327 HydrophobicContact CB-CG2 4.3Å; F203-I327 HydrophobicContact CD1-CG2 3.89Å; F203-I327 HydrophobicContact CG-CG2 4.47Å; F203-L328 WeakPolarHBondContact CA-O 3.33Å |
| 204 | Q | 81.3 | Confident | 77.3 | Confident | 11 Ų | 11 | 40 Ų | 40 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.7 | 164.4 | 168.7 | 165.2 | 92 | 0 | 0 | 110.2 | R206 N253 I327 L328 | Q204-R206 HydrophobicContact CG-CG 4.01Å; Q204-N253 WeakPolarHBondContact CB-OD1 3.28Å; Q204-N253 VanDerWaalsContact CG-OD1 3.31Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.04Å; Q204-N253 PolarHBondContact NE2-OD1 3.19Å; Q204-I327 CarbonylContact O-C 3.55Å; Q204-I327 WeakPolarHBondContact O-CA 3.19Å; Q204-L328 PolarHBondContact N-O 2.97Å; Q204-L328 PolarHBondContact O-N 3.17Å |
| 205 | I | 87 | Confident | 78.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 110.7 | 174.8 | -48.7 | 177.4 | 0 | 0 | 0 | 108.9 | V207 C228 F251 F252 F254 M261 L289 V325 V326 I327 | I205-V207 HydrophobicContact CG2-CG2 3.97Å; I205-C228 VanDerWaalsContact CD1-SG 3.55Å; I205-F251 CarbonylContact O-C 3.51Å; I205-F251 WeakPolarHBondContact O-CA 3.37Å; I205-F252 HydrophobicContact CB-CB 4.4Å; I205-F252 PolarHBondContact N-O 2.9Å; I205-F252 PolarHBondContact O-N 3.18Å; I205-F254 HydrophobicContact CD1-CD2 3.9Å; I205-F254 HydrophobicContact CD1-CE2 3.83Å; I205-F254 HydrophobicContact CG1-CD2 4.44Å; I205-M261 HydrophobicContact CD1-CE 3.64Å; I205-M261 HydrophobicContact CG1-CE 3.94Å; I205-L289 HydrophobicContact CD1-CD1 3.47Å; I205-L289 VanDerWaalsContact CD1-CD1 3.47Å; I205-L289 HydrophobicContact CD1-CD2 3.54Å; I205-L289 HydrophobicContact CD1-CG 4.13Å; I205-L289 HydrophobicContact CG2-CD2 4.37Å; I205-V325 HydrophobicContact CG2-CG1 3.74Å; I205-V326 CarbonylContact C-O 3.52Å; I205-V326 WeakPolarHBondContact CA-O 3.44Å; I205-I327 HydrophobicContact CG1-CG1 4.22Å; I205-I327 HydrophobicContact CG2-CG1 4.34Å |
| 206 | R | 86 | Confident | 79.7 | Confident | 44 Ų | 44 | 29.6 Ų | 29.6 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.2 | 174.4 | -48.1 | -172.6 | 171.3 | 168.5 | 11.1 | 108.7 | Q204 F250 F251 V325 V326 | Q204-R206 HydrophobicContact CG-CG 4.01Å; R206-F250 CarbonylContact C-O 3.56Å; R206-F250 WeakPolarHBondContact CA-O 3.18Å; R206-F251 HydrophobicContact CB-CD1 4.24Å; R206-F251 HydrophobicContact CB-CE1 4.03Å; R206-F251 HydrophobicContact CG-CD1 3.79Å; R206-F251 HydrophobicContact CG-CE1 3.68Å; R206-V325 CarbonylContact O-C 3.51Å; R206-V325 VanDerWaalsContact O-CA 3.23Å; R206-V325 WeakPolarHBondContact O-CA 3.38Å; R206-V326 HydrophobicContact CB-CB 4.24Å; R206-V326 PolarHBondContact N-O 3.46Å; R206-V326 PolarHBondContact O-N 2.86Å |
| 207 | V | 90 | Very high | 79.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 108 | -177.7 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | I205 I226 T249 F250 F252 L266 F268 S324 V325 | I205-V207 HydrophobicContact CG2-CG2 3.97Å; V207-I226 HydrophobicContact CB-CG2 4.45Å; V207-I226 HydrophobicContact CG1-CG1 4.21Å; V207-I226 HydrophobicContact CG1-CG2 3.98Å; V207-I226 HydrophobicContact CG2-CG2 4.41Å; V207-T249 CarbonylContact O-C 3.51Å; V207-T249 WeakPolarHBondContact O-CA 3.43Å; V207-F250 PolarHBondContact N-O 3.22Å; V207-F250 WeakPolarHBondContact O-CD2 3.4Å; V207-F250 PolarHBondContact O-N 2.93Å; V207-F252 HydrophobicContact CB-CE2 4.41Å; V207-F252 HydrophobicContact CG2-CD2 4.15Å; V207-F252 HydrophobicContact CG2-CE2 4.04Å; V207-L266 HydrophobicContact CG2-CD1 4.22Å; V207-L266 HydrophobicContact CG2-CD2 3.89Å; V207-F268 HydrophobicContact CG1-CE1 3.36Å; V207-F268 HydrophobicContact CG1-CZ 3.47Å; V207-F268 VanDerWaalsContact CG1-CZ 3.47Å; V207-S324 CarbonylContact C-O 3.58Å; V207-S324 WeakPolarHBondContact CA-O 3.08Å; V207-V325 HydrophobicContact CG2-CG1 4.21Å; V207-V325 HydrophobicContact CG2-CG2 4.43Å |
| 208 | K | 89.4 | Confident | 79.4 | Confident | 22 Ų | 22 | 28 Ų | 28 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.1 | 171.8 | -170.6 | 172.8 | -174.2 | -172.1 | 0 | 110.3 | I210 D247 Q248 T249 I323 S324 M337 | K208-I210 HydrophobicContact CD-CG1 4.22Å; K208-I210 HydrophobicContact CG-CG1 4.03Å; K208-D247 WeakPolarHBondContact CE-OD1 3.35Å; K208-D247 VanDerWaalsContact NZ-CG 3.26Å; K208-D247 IonicContact NZ-OD1 2.99Å; K208-D247 PolarHBondContact NZ-OD1 2.85Å; K208-D247 IonicContact NZ-OD2 2.69Å; K208-D247 PolarHBondContact NZ-OD2 3.11Å; K208-Q248 CarbonylContact C-O 3.39Å; K208-Q248 VanDerWaalsContact CA-O 3.32Å; K208-Q248 WeakPolarHBondContact CA-O 3.29Å; K208-Q248 WeakPolarHBondContact CG-O 3.26Å; K208-T249 HydrophobicContact CB-CG2 4.16Å; K208-T249 WeakPolarHBondContact CG-OG1 3.18Å; K208-I323 CarbonylContact O-C 3.6Å; K208-I323 WeakPolarHBondContact O-CA 3.25Å; K208-I323 WeakPolarHBondContact O-CB 3.45Å; K208-S324 PolarHBondContact N-O 2.88Å; K208-S324 PolarHBondContact O-N 3.22Å; K208-M337 HydrophobicContact CB-CE 3.53Å; K208-M337 HydrophobicContact CD-CE 4.4Å |
| 209 | V | 91 | Very high | 78.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 112.7 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | C224 I226 T235 W246 D247 Q248 F250 F268 L321 I323 | V209-C224 HydrophobicContact CG1-CB 4.34Å; V209-I226 HydrophobicContact CG2-CD1 3.84Å; V209-I226 HydrophobicContact CG2-CG1 3.92Å; V209-T235 HydrophobicContact CB-CG2 4.13Å; V209-T235 HydrophobicContact CG1-CG2 4.15Å; V209-W246 HydrophobicContact CG1-CD2 4.32Å; V209-W246 HydrophobicContact CG1-CE3 3.64Å; V209-W246 HydrophobicContact CG1-CZ3 4.04Å; V209-D247 PolarHBondContact O-N 3.25Å; V209-Q248 PolarHBondContact N-O 3.18Å; V209-Q248 PolarHBondContact O-N 3.46Å; V209-F250 HydrophobicContact CB-CE2 4.44Å; V209-F250 HydrophobicContact CG2-CD2 4.44Å; V209-F250 HydrophobicContact CG2-CE2 4.21Å; V209-F268 HydrophobicContact CG2-CD1 4.48Å; V209-F268 HydrophobicContact CG2-CE1 4.27Å; V209-L321 HydrophobicContact CG1-CD1 3.83Å; V209-L321 HydrophobicContact CG1-CG 4.49Å; V209-I323 HydrophobicContact CG2-CG2 4.45Å |
| 210 | I | 87.9 | Confident | 79 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -63.9 | -170.9 | -57.1 | 172.7 | 0 | 0 | 0 | 109.6 | K208 F245 W246 D247 N302 K322 | K208-I210 HydrophobicContact CD-CG1 4.22Å; K208-I210 HydrophobicContact CG-CG1 4.03Å; I210-F245 HydrophobicContact CG2-CE2 4.01Å; I210-W246 PolarHBondContact O-N 2.66Å; I210-D247 PolarHBondContact O-N 3.21Å; I210-N302 WeakPolarHBondContact CD1-OD1 3.34Å; I210-K322 HydrophobicContact CB-CB 4.34Å; I210-K322 HydrophobicContact CB-CD 4.23Å; I210-K322 HydrophobicContact CB-CG 4.36Å; I210-K322 HydrophobicContact CD1-CD 4.35Å; I210-K322 HydrophobicContact CD1-CG 4.33Å; I210-K322 HydrophobicContact CG2-CD 4.18Å; I210-K322 PolarHBondContact N-O 2.85Å |
| 211 | E | 88.4 | Confident | 79.4 | Confident | 33 Ų | 33 | 15.4 Ų | 15.4 | 15% | 0.154 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 164.9 | -178 | 59.6 | 178.3 | -168.7 | 0 | 0 | 111 | R213 P244 F245 W304 K322 | E211-R213 IonicContact OE1-CZ 3.99Å; E211-R213 IonicContact OE1-NE 3.71Å; E211-R213 PolarHBondContact OE1-NE 3.23Å; E211-R213 IonicContact OE1-NH2 2.73Å; E211-R213 PolarHBondContact OE1-NH2 2.77Å; E211-P244 CarbonylContact C-O 3.55Å; E211-P244 WeakPolarHBondContact CA-O 3.46Å; E211-P244 WeakPolarHBondContact CB-O 3.16Å; E211-F245 HydrophobicContact CB-CB 4.49Å; E211-F245 HydrophobicContact CB-CD2 3.89Å; E211-W304 HydrophobicContact CG-CH2 3.72Å; E211-W304 HydrophobicContact CG-CZ2 4.34Å; E211-W304 HydrophobicContact CG-CZ3 4.46Å; E211-W304 VanDerWaalsContact OE1-CH2 3.32Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.39Å; E211-W304 VanDerWaalsContact OE1-CZ2 3.3Å; E211-W304 WeakPolarHBondContact OE1-CZ2 3.32Å; E211-K322 HydrophobicContact CG-CB 3.75Å; E211-K322 HydrophobicContact CG-CD 3.73Å; E211-K322 HydrophobicContact CG-CG 4.44Å; E211-K322 WeakPolarHBondContact O-CB 3.38Å; E211-K322 PolarHBondContact O-N 3.14Å; E211-K322 IonicContact OE1-NZ 3.28Å |
| 212 | A | 88 | Confident | 80.3 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 161.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L215 S243 P244 W246 Y320 L321 | A212-L215 HydrophobicContact CB-CD1 3.89Å; A212-L215 HydrophobicContact CB-CD2 3.9Å; A212-L215 HydrophobicContact CB-CG 3.87Å; A212-S243 CarbonylContact O-C 3.58Å; A212-S243 VanDerWaalsContact O-C 3.23Å; A212-S243 WeakPolarHBondContact O-CA 3.49Å; A212-P244 HydrophobicContact CB-CG 3.85Å; A212-P244 PolarHBondContact N-O 3.44Å; A212-W246 HydrophobicContact CB-CH2 4.14Å; A212-W246 HydrophobicContact CB-CZ3 3.74Å; A212-Y320 CarbonylContact C-O 3.57Å; A212-Y320 WeakPolarHBondContact CA-O 3.48Å; A212-Y320 WeakPolarHBondContact CB-O 3.28Å; A212-L321 HydrophobicContact CB-CD1 3.93Å |
| 213 | R | 84.1 | Confident | 81.6 | Confident | 30 Ų | 30 | 14.6 Ų | 14.6 | 11% | 0.113 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.6 | 175.5 | -67.9 | 178.7 | -168 | 168.9 | 6.3 | 110 | E211 L215 W304 Y320 D347 M439 | E211-R213 IonicContact OE1-CZ 3.99Å; E211-R213 IonicContact OE1-NE 3.71Å; E211-R213 PolarHBondContact OE1-NE 3.23Å; E211-R213 IonicContact OE1-NH2 2.73Å; E211-R213 PolarHBondContact OE1-NH2 2.77Å; R213-L215 PolarHBondContact O-N 2.87Å; R213-L215 VanDerWaalsContact O-N 3.14Å; R213-W304 HydrophobicContact CB-CH2 4.37Å; R213-W304 HydrophobicContact CB-CZ3 4.3Å; R213-W304 VanDerWaalsContact CD-CH2 3.48Å; R213-W304 HydrophobicContact CG-CH2 3.65Å; R213-W304 HydrophobicContact CG-CZ3 4.05Å; R213-W304 VanDerWaalsContact NE-CH2 3.27Å; R213-Y320 PolarHBondContact N-O 3.16Å; R213-Y320 PolarHBondContact O-N 2.84Å; R213-D347 IonicContact CZ-OD1 3.04Å; R213-D347 VanDerWaalsContact NH1-CG 3.32Å; R213-D347 IonicContact NH1-OD1 3.24Å; R213-D347 PolarHBondContact NH1-OD1 3.33Å; R213-D347 IonicContact NH1-OD2 2.74Å; R213-D347 PolarHBondContact NH1-OD2 3.4Å; R213-D347 VanDerWaalsContact NH1-OD2 3.13Å; R213-D347 IonicContact NH2-OD1 3.09Å; R213-D347 PolarHBondContact NH2-OD1 2.89Å; R213-M439 PolarHBondContact NH1-O 2.88Å |
| 214 | Q | 77.9 | Confident | 82.2 | Confident | 15 Ų | 15 | 14.6 Ų | 14.6 | 7% | 0.07 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 52.8 | 35.8 | 173.3 | -56.1 | 169.4 | 23.2 | 0 | 0 | 113.1 | Q216 N242 S243 G319 Y320 S438 | Q214-Q216 PolarHBondContact O-N 2.76Å; Q214-N242 PolarHBondContact N-O 2.69Å; Q214-S243 PolarHBondContact N-OG 3.41Å; Q214-G319 WeakPolarHBondContact O-CA 2.87Å; Q214-Y320 HydrophobicContact CB-CD2 4.37Å; Q214-S438 PolarHBondContact NE2-O 2.82Å; Q214-S438 PolarHBondContact OE1-O 2.85Å |
| 215 | L | 82.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | trans | -60.2 | 132.7 | 171.8 | -66.3 | 178.5 | 0 | 0 | 0 | 109.4 | A212 R213 G217 I220 P222 N242 P244 V270 I282 L307 | A212-L215 HydrophobicContact CB-CD1 3.89Å; A212-L215 HydrophobicContact CB-CD2 3.9Å; A212-L215 HydrophobicContact CB-CG 3.87Å; R213-L215 PolarHBondContact O-N 2.87Å; R213-L215 VanDerWaalsContact O-N 3.14Å; L215-G217 PolarHBondContact O-N 2.74Å; L215-I220 HydrophobicContact CB-CD1 3.72Å; L215-I220 HydrophobicContact CD1-CD1 4.14Å; L215-P222 HydrophobicContact CD1-CB 3.54Å; L215-P222 HydrophobicContact CD1-CG 3.97Å; L215-N242 WeakPolarHBondContact CB-O 3.43Å; L215-N242 WeakPolarHBondContact CG-O 3.3Å; L215-N242 PolarHBondContact N-O 2.88Å; L215-P244 HydrophobicContact CD1-CG 3.82Å; L215-V270 HydrophobicContact CD1-CG1 3.93Å; L215-V270 HydrophobicContact CD2-CB 4.47Å; L215-V270 HydrophobicContact CD2-CG1 4.1Å; L215-V270 HydrophobicContact CD2-CG2 4.48Å; L215-I282 HydrophobicContact CB-CG2 4.39Å; L215-L307 HydrophobicContact CD2-CD1 3.6Å | ||
| 216 | Q | 76.3 | Confident | 82.9 | Confident | 27 Ų | 27 | 16.9 Ų | 16.9 | 13% | 0.126 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -67.5 | 130.4 | -178.7 | -160.9 | -172 | 4.4 | 0 | 0 | 110.9 | Q214 I282 K318 D474 | Q214-Q216 PolarHBondContact O-N 2.76Å; Q216-I282 HydrophobicContact CB-CG2 4.31Å; Q216-K318 PolarHBondContact N-O 2.87Å; Q216-D474 VanDerWaalsContact CD-OD1 3.23Å; Q216-D474 PolarHBondContact NE2-OD1 2.81Å |
| 217 | G | 69 | Low | 83.1 | Confident | 6 Ų | 6 | 16.3 Ų | 16.3 | 6% | 0.062 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 129.8 | 141.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L215 | L215-G217 PolarHBondContact O-N 2.74Š|
| 218 | A | 62.1 | Low | 82.9 | Confident | 46 Ų | 46 | 16.3 Ų | 16.3 | 38% | 0.38 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -88.2 | 132.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | I220 R473 | A218-I220 PolarHBondContact O-N 2.92Å; A218-R473 HydrophobicContact CB-CG 4.44Å |
| 219 | N | 64.4 | Low | 82.2 | Confident | 30 Ų | 30 | 17.8 Ų | 17.8 | 16% | 0.16 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 48.6 | 58.8 | 177.6 | -160.6 | 4.7 | 0 | 0 | 0 | 112.9 | C240 R274 | N219-C240 WeakPolarHBondContact OD1-CB 3.39Å; N219-C240 PolarHBondContact OD1-SG 2.88Å; N219-R274 VanDerWaalsContact CG-NH1 3.28Å; N219-R274 PolarHBondContact ND2-NH1 2.62Å; N219-R274 PolarHBondContact O-NE 3.43Å; N219-R274 PolarHBondContact O-NH1 3.05Å; N219-R274 PolarHBondContact O-NH2 2.91Å; N219-R274 VanDerWaalsContact OD1-CZ 3.26Å; N219-R274 PolarHBondContact OD1-NH1 2.88Å; N219-R274 PolarHBondContact OD1-NH2 2.8Å |
| 220 | I | 74 | Confident | 81.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -93.3 | 159.8 | 176.2 | 54.2 | 159.6 | 0 | 0 | 0 | 111.6 | L215 A218 P222 C240 T241 D272 R274 I282 | L215-I220 HydrophobicContact CB-CD1 3.72Å; L215-I220 HydrophobicContact CD1-CD1 4.14Å; A218-I220 PolarHBondContact O-N 2.92Å; I220-P222 HydrophobicContact CD1-CB 4.34Å; I220-P222 HydrophobicContact CD1-CG 4.42Å; I220-P222 WeakPolarHBondContact O-CD 3.47Å; I220-C240 WeakPolarHBondContact O-CA 3.38Å; I220-C240 PolarHBondContact O-N 3Å; I220-C240 VanDerWaalsContact O-N 3.09Å; I220-T241 WeakPolarHBondContact CG1-O 3.29Å; I220-T241 PolarHBondContact O-N 3.25Å; I220-D272 HydrophobicContact CB-CB 4.24Å; I220-D272 HydrophobicContact CG2-CB 4.2Å; I220-R274 PolarHBondContact O-NH2 2.81Å; I220-I282 HydrophobicContact CD1-CD1 3.54Å | ||
| 221 | S | 79.2 | Confident | 81.1 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | trans | -115.6 | 82 | 170.3 | -71.1 | 0 | 0 | 0 | 0 | 111 | R238 D272 S273 R274 | S221-R238 CarbonylContact C-O 3.6Å; S221-R238 WeakPolarHBondContact CA-O 3.42Å; S221-R238 WeakPolarHBondContact CB-O 3.26Å; S221-D272 PolarHBondContact N-OD1 2.83Å; S221-S273 VanDerWaalsContact CB-OG 3.32Å; S221-S273 WeakPolarHBondContact CB-OG 3.16Å; S221-S273 WeakPolarHBondContact O-CB 3.41Å; S221-S273 PolarHBondContact O-N 2.9Å; S221-S273 PolarHBondContact O-OG 3.32Å; S221-R274 PolarHBondContact OG-NE 3.37Å; S221-R274 PolarHBondContact OG-NH2 2.82Å | ||
| 222 | P | 87 | Confident | 81 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 139.7 | -168.8 | 26.4 | -37 | 0 | 0 | 0 | 114.4 | L215 I220 R238 T241 P244 W246 V270 Y271 | L215-P222 HydrophobicContact CD1-CB 3.54Å; L215-P222 HydrophobicContact CD1-CG 3.97Å; I220-P222 HydrophobicContact CD1-CB 4.34Å; I220-P222 HydrophobicContact CD1-CG 4.42Å; I220-P222 WeakPolarHBondContact O-CD 3.47Å; P222-R238 WeakPolarHBondContact CD-O 3.47Å; P222-R238 HydrophobicContact CG-CB 4.43Å; P222-R238 PolarHBondContact O-N 2.89Å; P222-R238 VanDerWaalsContact O-N 3.09Å; P222-T241 VanDerWaalsContact CD-O 3.24Å; P222-T241 WeakPolarHBondContact CD-O 3.42Å; P222-T241 HydrophobicContact CG-CG2 4.28Å; P222-T241 WeakPolarHBondContact CG-O 3.38Å; P222-P244 HydrophobicContact CB-CG 4.04Å; P222-P244 HydrophobicContact CG-CB 3.71Å; P222-P244 HydrophobicContact CG-CG 3.5Å; P222-W246 HydrophobicContact CB-CH2 4.29Å; P222-W246 HydrophobicContact CB-CZ2 4Å; P222-W246 HydrophobicContact CG-CZ2 4.42Å; P222-V270 HydrophobicContact CB-CG1 4.14Å; P222-Y271 CarbonylContact C-O 3.59Å; P222-Y271 VanDerWaalsContact CA-O 3.31Å; P222-Y271 WeakPolarHBondContact CA-O 3.44Å |
| 223 | I | 88.7 | Confident | 80.9 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 137.1 | 169.1 | -179.5 | 162.4 | 0 | 0 | 0 | 109 | D234 T235 V237 V270 Y271 | I223-D234 HydrophobicContact CD1-CB 4.11Å; I223-D234 HydrophobicContact CG1-CB 4.37Å; I223-T235 WeakPolarHBondContact CD1-O 2.84Å; I223-T235 VanDerWaalsContact CG1-O 3.24Å; I223-T235 WeakPolarHBondContact CG1-O 3.44Å; I223-V237 HydrophobicContact CB-CG2 4.32Å; I223-V237 HydrophobicContact CD1-CG2 4.04Å; I223-V270 CarbonylContact O-C 3.48Å; I223-V270 WeakPolarHBondContact O-CA 3.26Å; I223-Y271 WeakPolarHBondContact CG2-O 3.47Å; I223-Y271 PolarHBondContact N-O 3.11Å; I223-Y271 PolarHBondContact O-N 3.21Å |
| 224 | C | 91.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.9 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 110 | V209 D234 T235 W246 V270 | V209-C224 HydrophobicContact CG1-CB 4.34Å; C224-D234 CarbonylContact O-C 3.2Å; C224-D234 WeakPolarHBondContact O-CA 3.42Å; C224-T235 HydrophobicContact CB-CG2 3.96Å; C224-T235 PolarHBondContact N-OG1 2.88Å; C224-T235 PolarHBondContact O-N 2.78Å; C224-W246 HydrophobicContact CB-CH2 4.11Å; C224-W246 HydrophobicContact CB-CZ2 4.3Å; C224-W246 HydrophobicContact CB-CZ3 4.48Å; C224-V270 HydrophobicContact CB-CG2 4.32Å |
| 225 | K | 91.9 | Very high | 81.6 | Confident | 58 Ų | 58 | 37.3 Ų | 37.3 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.8 | 167.8 | 172.7 | 159.3 | -73.5 | -178.1 | 0 | 109.3 | K233 D234 F268 T269 Y271 | K225-K233 WeakPolarHBondContact CA-O 3.25Å; K225-D234 WeakPolarHBondContact CA-OD1 3.3Å; K225-D234 WeakPolarHBondContact CB-OD1 3.47Å; K225-D234 WeakPolarHBondContact CE-OD1 3.19Å; K225-D234 VanDerWaalsContact CE-OD2 3.25Å; K225-D234 WeakPolarHBondContact CE-OD2 3.27Å; K225-D234 VanDerWaalsContact CG-OD1 3.26Å; K225-D234 WeakPolarHBondContact CG-OD1 3.26Å; K225-D234 IonicContact NZ-OD1 3.39Å; K225-D234 IonicContact NZ-OD2 3.87Å; K225-F268 CarbonylContact O-C 3.53Å; K225-T269 PolarHBondContact N-O 3.47Å; K225-T269 PolarHBondContact O-N 3.41Å; K225-Y271 HydrophobicContact CB-CD2 4.34Å; K225-Y271 HydrophobicContact CB-CE2 3.85Å; K225-Y271 HydrophobicContact CD-CE2 4.3Å |
| 226 | I | 92.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.7 | 171 | -50.7 | 82.3 | 0 | 0 | 0 | 106.8 | V207 V209 S232 K233 F250 F252 L266 V267 F268 | V207-I226 HydrophobicContact CB-CG2 4.45Å; V207-I226 HydrophobicContact CG1-CG1 4.21Å; V207-I226 HydrophobicContact CG1-CG2 3.98Å; V207-I226 HydrophobicContact CG2-CG2 4.41Å; V209-I226 HydrophobicContact CG2-CD1 3.84Å; V209-I226 HydrophobicContact CG2-CG1 3.92Å; I226-S232 CarbonylContact O-C 3.45Å; I226-S232 WeakPolarHBondContact O-CA 3.36Å; I226-K233 WeakPolarHBondContact CD1-O 3.31Å; I226-K233 PolarHBondContact N-O 3.44Å; I226-K233 PolarHBondContact O-N 3.35Å; I226-F250 HydrophobicContact CD1-CD2 3.45Å; I226-F250 VanDerWaalsContact CD1-CD2 3.45Å; I226-F250 HydrophobicContact CD1-CE2 3.41Å; I226-F250 VanDerWaalsContact CD1-CE2 3.41Å; I226-F250 HydrophobicContact CD1-CG 4.08Å; I226-F250 HydrophobicContact CD1-CZ 3.98Å; I226-F250 HydrophobicContact CG1-CD2 4.2Å; I226-F252 HydrophobicContact CB-CE2 4.24Å; I226-F252 HydrophobicContact CB-CZ 3.94Å; I226-F252 HydrophobicContact CG2-CE2 3.64Å; I226-F252 HydrophobicContact CG2-CZ 3.71Å; I226-L266 HydrophobicContact CG2-CD1 3.82Å; I226-V267 CarbonylContact C-O 3.6Å; I226-V267 WeakPolarHBondContact CA-O 3.4Å; I226-F268 HydrophobicContact CG1-CD1 3.89Å; I226-F268 HydrophobicContact CG1-CE1 3.88Å; I226-F268 HydrophobicContact CG2-CD1 4.25Å; I226-F268 HydrophobicContact CG2-CE1 3.94Å; I226-F268 HydrophobicContact CG2-CZ 4.25Å |
| 227 | T | 89.8 | Confident | 81.7 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.7 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | E231 S232 V267 | T227-E231 CarbonylContact C-O 3.56Å; T227-E231 WeakPolarHBondContact CA-O 3.42Å; T227-E231 WeakPolarHBondContact CG2-O 3.45Å; T227-S232 PolarHBondContact OG1-OG 2.97Å; T227-V267 PolarHBondContact N-O 2.73Å; T227-V267 PolarHBondContact O-N 2.82Å |
| 228 | C | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.3 | 176.6 | -161.4 | 0 | 0 | 0 | 0 | 109.2 | I205 K230 E231 F252 F254 L266 | I205-C228 VanDerWaalsContact CD1-SG 3.55Å; C228-K230 PolarHBondContact O-N 2.77Å; C228-E231 PolarHBondContact N-O 3.02Å; C228-E231 WeakPolarHBondContact O-CB 3.46Å; C228-E231 PolarHBondContact O-N 2.77Å; C228-F252 HydrophobicContact CB-CB 4.06Å; C228-F252 HydrophobicContact CB-CD1 3.68Å; C228-F252 HydrophobicContact CB-CD2 3.97Å; C228-F252 HydrophobicContact CB-CE1 4.04Å; C228-F252 HydrophobicContact CB-CE2 4.32Å; C228-F252 HydrophobicContact CB-CG 3.64Å; C228-F252 HydrophobicContact CB-CZ 4.35Å; C228-F254 HydrophobicContact CB-CE2 4.18Å; C228-F254 HydrophobicContact CB-CZ 4.08Å; C228-F254 VanDerWaalsContact SG-CE2 3.58Å; C228-L266 HydrophobicContact CB-CD1 3.56Å |
| 229 | W | 74.2 | Confident | 82.3 | Confident | 54 Ų | 54 | 55 Ų | 55 | 21% | 0.205 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 40.5 | 176.4 | -153.4 | -20.5 | 0 | 0 | 0 | 115.3 | F254 D256 M261 Q264 | W229-F254 HydrophobicContact CB-CD1 4.05Å; W229-F254 HydrophobicContact CB-CE1 3.48Å; W229-F254 VanDerWaalsContact CB-CE1 3.48Å; W229-F254 HydrophobicContact CB-CE2 4.28Å; W229-F254 HydrophobicContact CB-CZ 3.6Å; W229-F254 AromaticContact CD2-CD1 3.95Å; W229-F254 HydrophobicContact CD2-CD1 3.95Å; W229-F254 HydrophobicContact CD2-CE1 4.3Å; W229-F254 HydrophobicContact CD2-CG 4.31Å; W229-F254 HydrophobicContact CE3-CB 3.73Å; W229-F254 AromaticContact CE3-CD1 3.52Å; W229-F254 HydrophobicContact CE3-CD1 3.52Å; W229-F254 AromaticContact CE3-CD2 4Å; W229-F254 HydrophobicContact CE3-CD2 4Å; W229-F254 HydrophobicContact CE3-CE1 4.17Å; W229-F254 AromaticContact CE3-CG 3.44Å; W229-F254 HydrophobicContact CE3-CG 3.44Å; W229-F254 VanDerWaalsContact CE3-CG 3.44Å; W229-F254 HydrophobicContact CG-CD1 4.2Å; W229-F254 HydrophobicContact CG-CE1 4.07Å; W229-F254 HydrophobicContact CZ3-CB 3.81Å; W229-F254 HydrophobicContact CZ3-CD1 4.39Å; W229-F254 HydrophobicContact CZ3-CG 4.05Å; W229-D256 HydrophobicContact CH2-CB 3.4Å; W229-D256 VanDerWaalsContact CH2-CB 3.4Å; W229-D256 HydrophobicContact CZ2-CB 4.35Å; W229-D256 HydrophobicContact CZ3-CB 4.03Å; W229-M261 HydrophobicContact CE3-CG 4.49Å; W229-M261 HydrophobicContact CH2-CB 4.01Å; W229-M261 HydrophobicContact CZ3-CB 3.66Å; W229-M261 HydrophobicContact CZ3-CG 3.7Å; W229-Q264 HydrophobicContact CD2-CB 4.33Å; W229-Q264 HydrophobicContact CD2-CG 3.59Å; W229-Q264 HydrophobicContact CE3-CB 4.39Å; W229-Q264 HydrophobicContact CE3-CG 3.75Å; W229-Q264 HydrophobicContact CG-CB 4.49Å; W229-Q264 HydrophobicContact CG-CG 4.07Å; W229-Q264 HydrophobicContact CH2-CG 3.83Å; W229-Q264 HydrophobicContact CZ2-CG 3.74Å; W229-Q264 HydrophobicContact CZ3-CG 3.89Å |
| 230 | K | 74.8 | Confident | 82.3 | Confident | 193 Ų | 193 | 54.1 Ų | 54.1 | 84% | 0.839 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -12.9 | -176.4 | -46.2 | 159.2 | -174 | 166.3 | 0 | 116.6 | C228 | C228-K230 PolarHBondContact O-N 2.77Š|
| 231 | E | 80.9 | Confident | 82.1 | Confident | 77 Ų | 77 | 56 Ų | 56 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 148.2 | 167.7 | -65 | -164 | 164.4 | 0 | 0 | 111 | T227 C228 F252 | T227-E231 CarbonylContact C-O 3.56Å; T227-E231 WeakPolarHBondContact CA-O 3.42Å; T227-E231 WeakPolarHBondContact CG2-O 3.45Å; C228-E231 PolarHBondContact N-O 3.02Å; C228-E231 WeakPolarHBondContact O-CB 3.46Å; C228-E231 PolarHBondContact O-N 2.77Å; E231-F252 HydrophobicContact CB-CD1 3.79Å; E231-F252 HydrophobicContact CB-CE1 4.02Å; E231-F252 WeakPolarHBondContact OE2-CD1 3.4Å |
| 232 | S | 85.8 | Confident | 82 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141 | 176.2 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | I226 T227 | I226-S232 CarbonylContact O-C 3.45Å; I226-S232 WeakPolarHBondContact O-CA 3.36Å; T227-S232 PolarHBondContact OG1-OG 2.97Å |
| 233 | K | 85.4 | Confident | 81.6 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 143.5 | 175.7 | -62.5 | -175.6 | 177 | 178.6 | 0 | 110.9 | K225 I226 F250 F251 F252 | K225-K233 WeakPolarHBondContact CA-O 3.25Å; I226-K233 WeakPolarHBondContact CD1-O 3.31Å; I226-K233 PolarHBondContact N-O 3.44Å; I226-K233 PolarHBondContact O-N 3.35Å; K233-F250 HydrophobicContact CB-CB 4.49Å; K233-F250 HydrophobicContact CB-CD1 3.57Å; K233-F250 HydrophobicContact CB-CE1 4.12Å; K233-F250 HydrophobicContact CB-CG 4.24Å; K233-F250 HydrophobicContact CD-CB 4.38Å; K233-F250 HydrophobicContact CD-CD1 4.29Å; K233-F250 HydrophobicContact CG-CD1 4.5Å; K233-F251 WeakPolarHBondContact CE-O 3.45Å; K233-F251 PolarHBondContact NZ-O 3.23Å; K233-F252 HydrophobicContact CB-CZ 4.27Å; K233-F252 HydrophobicContact CD-CE1 4.3Å; K233-F252 HydrophobicContact CD-CZ 4.4Å; K233-F252 HydrophobicContact CG-CE1 4.11Å; K233-F252 HydrophobicContact CG-CZ 4.25Å |
| 234 | D | 88.7 | Confident | 81.4 | Confident | 74 Ų | 74 | 59 Ų | 59 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.1 | -168.9 | -62.4 | -9.5 | 0 | 0 | 0 | 112.4 | I223 C224 K225 F250 | I223-D234 HydrophobicContact CD1-CB 4.11Å; I223-D234 HydrophobicContact CG1-CB 4.37Å; C224-D234 CarbonylContact O-C 3.2Å; C224-D234 WeakPolarHBondContact O-CA 3.42Å; K225-D234 WeakPolarHBondContact CA-OD1 3.3Å; K225-D234 WeakPolarHBondContact CB-OD1 3.47Å; K225-D234 WeakPolarHBondContact CE-OD1 3.19Å; K225-D234 VanDerWaalsContact CE-OD2 3.25Å; K225-D234 WeakPolarHBondContact CE-OD2 3.27Å; K225-D234 VanDerWaalsContact CG-OD1 3.26Å; K225-D234 WeakPolarHBondContact CG-OD1 3.26Å; K225-D234 IonicContact NZ-OD1 3.39Å; K225-D234 IonicContact NZ-OD2 3.87Å; D234-F250 WeakPolarHBondContact O-CE1 3.26Å |
| 235 | T | 88.4 | Confident | 81.1 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 163.9 | 173.5 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | V209 I223 C224 W246 F250 | V209-T235 HydrophobicContact CB-CG2 4.13Å; V209-T235 HydrophobicContact CG1-CG2 4.15Å; I223-T235 WeakPolarHBondContact CD1-O 2.84Å; I223-T235 VanDerWaalsContact CG1-O 3.24Å; I223-T235 WeakPolarHBondContact CG1-O 3.44Å; C224-T235 HydrophobicContact CB-CG2 3.96Å; C224-T235 PolarHBondContact N-OG1 2.88Å; C224-T235 PolarHBondContact O-N 2.78Å; T235-W246 HydrophobicContact CG2-CD2 4.42Å; T235-W246 HydrophobicContact CG2-CG 4.21Å; T235-W246 PolarHBondContact OG1-NE1 2.68Å; T235-W246 VanDerWaalsContact OG1-NE1 3.15Å; T235-F250 HydrophobicContact CG2-CE2 3.67Å; T235-F250 HydrophobicContact CG2-CZ 3.61Å |
| 236 | R | 82 | Confident | 80.7 | Confident | 197 Ų | 197 | 61.5 Ų | 61.5 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 139.1 | 164.6 | -61.6 | 179.1 | -176.4 | -176.2 | 0.8 | 110.5 | W246 | R236-W246 PolarHBondContact O-NE1 2.72Š|
| 237 | V | 78.7 | Confident | 80.3 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 136.5 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | I223 S273 | I223-V237 HydrophobicContact CB-CG2 4.32Å; I223-V237 HydrophobicContact CD1-CG2 4.04Å; V237-S273 VanDerWaalsContact CG1-OG 3.24Å; V237-S273 WeakPolarHBondContact CG1-OG 3.47Å |
| 238 | R | 76.4 | Confident | 80 | Confident | 112 Ų | 112 | 65 Ų | 65 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | trans | -107.1 | 139.3 | 161.9 | -71.1 | -60.5 | -164.1 | 177.6 | 3.7 | 108.8 | S221 P222 T241 P244 F245 | S221-R238 CarbonylContact C-O 3.6Å; S221-R238 WeakPolarHBondContact CA-O 3.42Å; S221-R238 WeakPolarHBondContact CB-O 3.26Å; P222-R238 WeakPolarHBondContact CD-O 3.47Å; P222-R238 HydrophobicContact CG-CB 4.43Å; P222-R238 PolarHBondContact O-N 2.89Å; P222-R238 VanDerWaalsContact O-N 3.09Å; R238-T241 HydrophobicContact CB-CG2 3.99Å; R238-P244 HydrophobicContact CB-CB 3.79Å; R238-P244 HydrophobicContact CG-CB 3.86Å; R238-F245 PolarHBondContact NE-O 3.47Å; R238-F245 PolarHBondContact NH2-O 3.27Å | ||
| 239 | N | 67.2 | Low | 79.7 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | trans | -95.5 | 147.1 | -176.8 | -63.1 | -20.8 | 0 | 0 | 0 | 111.1 | T241 | N239-T241 VanDerWaalsContact C-N 3.33Å; N239-T241 PolarHBondContact O-N 2.79Å | ||
| 240 | C | 65.4 | Low | 80.2 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 8% | 0.081 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 51.4 | 40.9 | 165.2 | -49.3 | 0 | 0 | 0 | 0 | 115.8 | N219 I220 R274 S742 | N219-C240 WeakPolarHBondContact OD1-CB 3.39Å; N219-C240 PolarHBondContact OD1-SG 2.88Å; I220-C240 WeakPolarHBondContact O-CA 3.38Å; I220-C240 PolarHBondContact O-N 3Å; I220-C240 VanDerWaalsContact O-N 3.09Å; C240-R274 VanDerWaalsContact CA-NH2 3.29Å; C240-R274 PolarHBondContact SG-NH2 2.99Å; C240-S742 PolarHBondContact SG-OG 2.94Å |
| 241 | T | 70.1 | Confident | 80.2 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 24% | 0.239 | 29% | 0.287 | C | S | . | . | trans | -144.9 | 136.6 | -179.5 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | I220 P222 R238 N239 S243 P244 | I220-T241 WeakPolarHBondContact CG1-O 3.29Å; I220-T241 PolarHBondContact O-N 3.25Å; P222-T241 VanDerWaalsContact CD-O 3.24Å; P222-T241 WeakPolarHBondContact CD-O 3.42Å; P222-T241 HydrophobicContact CG-CG2 4.28Å; P222-T241 WeakPolarHBondContact CG-O 3.38Å; R238-T241 HydrophobicContact CB-CG2 3.99Å; N239-T241 VanDerWaalsContact C-N 3.33Å; N239-T241 PolarHBondContact O-N 2.79Å; T241-S243 VanDerWaalsContact C-N 3.34Å; T241-S243 VanDerWaalsContact OG1-C 3.31Å; T241-S243 PolarHBondContact OG1-N 3.34Å; T241-S243 PolarHBondContact OG1-O 3.31Å; T241-P244 HydrophobicContact CG2-CB 3.84Å | ||
| 242 | N | 77.1 | Confident | 80.3 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 33% | 0.326 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -88.1 | -5 | 168.9 | 66.6 | 5.3 | 0 | 0 | 0 | 112.8 | Q214 L215 | Q214-N242 PolarHBondContact N-O 2.69Å; L215-N242 WeakPolarHBondContact CB-O 3.43Å; L215-N242 WeakPolarHBondContact CG-O 3.3Å; L215-N242 PolarHBondContact N-O 2.88Å |
| 243 | S | 79.3 | Confident | 80 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -135.2 | 65.4 | -176.7 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | A212 Q214 T241 | A212-S243 CarbonylContact O-C 3.58Å; A212-S243 VanDerWaalsContact O-C 3.23Å; A212-S243 WeakPolarHBondContact O-CA 3.49Å; Q214-S243 PolarHBondContact N-OG 3.41Å; T241-S243 VanDerWaalsContact C-N 3.34Å; T241-S243 VanDerWaalsContact OG1-C 3.31Å; T241-S243 PolarHBondContact OG1-N 3.34Å; T241-S243 PolarHBondContact OG1-O 3.31Å |
| 244 | P | 83.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | trans | -73.7 | 143.1 | -174.9 | 31.1 | -38.8 | 0 | 0 | 0 | 113.3 | E211 A212 L215 P222 R238 T241 W246 | E211-P244 CarbonylContact C-O 3.55Å; E211-P244 WeakPolarHBondContact CA-O 3.46Å; E211-P244 WeakPolarHBondContact CB-O 3.16Å; A212-P244 HydrophobicContact CB-CG 3.85Å; A212-P244 PolarHBondContact N-O 3.44Å; L215-P244 HydrophobicContact CD1-CG 3.82Å; P222-P244 HydrophobicContact CB-CG 4.04Å; P222-P244 HydrophobicContact CG-CB 3.71Å; P222-P244 HydrophobicContact CG-CG 3.5Å; R238-P244 HydrophobicContact CB-CB 3.79Å; R238-P244 HydrophobicContact CG-CB 3.86Å; T241-P244 HydrophobicContact CG2-CB 3.84Å; P244-W246 HydrophobicContact CB-CD2 4.34Å; P244-W246 HydrophobicContact CB-CE3 4.39Å; P244-W246 HydrophobicContact CB-CH2 4.07Å; P244-W246 HydrophobicContact CB-CZ2 3.95Å; P244-W246 HydrophobicContact CB-CZ3 4.27Å; P244-W246 HydrophobicContact CG-CD2 4.48Å; P244-W246 HydrophobicContact CG-CE3 4.15Å; P244-W246 HydrophobicContact CG-CH2 3.3Å; P244-W246 HydrophobicContact CG-CZ2 3.65Å; P244-W246 HydrophobicContact CG-CZ3 3.57Å | ||
| 245 | F | 85 | Confident | 79.1 | Confident | 101 Ų | 101 | 49.4 Ų | 49.4 | 44% | 0.443 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118 | 170.2 | -174.2 | -90 | 0 | 0 | 0 | 110.3 | I210 E211 R238 D247 | I210-F245 HydrophobicContact CG2-CE2 4.01Å; E211-F245 HydrophobicContact CB-CB 4.49Å; E211-F245 HydrophobicContact CB-CD2 3.89Å; R238-F245 PolarHBondContact NE-O 3.47Å; R238-F245 PolarHBondContact NH2-O 3.27Å; F245-D247 HydrophobicContact CD1-CB 4.5Å; F245-D247 HydrophobicContact CE1-CB 3.71Å; F245-D247 HydrophobicContact CZ-CB 3.94Å |
| 246 | W | 84 | Confident | 78.5 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 3% | 0.034 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -44.4 | -175.9 | -71.7 | -74.9 | 0 | 0 | 0 | 114.6 | V209 I210 A212 P222 C224 T235 R236 P244 Q248 L321 | V209-W246 HydrophobicContact CG1-CD2 4.32Å; V209-W246 HydrophobicContact CG1-CE3 3.64Å; V209-W246 HydrophobicContact CG1-CZ3 4.04Å; I210-W246 PolarHBondContact O-N 2.66Å; A212-W246 HydrophobicContact CB-CH2 4.14Å; A212-W246 HydrophobicContact CB-CZ3 3.74Å; P222-W246 HydrophobicContact CB-CH2 4.29Å; P222-W246 HydrophobicContact CB-CZ2 4Å; P222-W246 HydrophobicContact CG-CZ2 4.42Å; C224-W246 HydrophobicContact CB-CH2 4.11Å; C224-W246 HydrophobicContact CB-CZ2 4.3Å; C224-W246 HydrophobicContact CB-CZ3 4.48Å; T235-W246 HydrophobicContact CG2-CD2 4.42Å; T235-W246 HydrophobicContact CG2-CG 4.21Å; T235-W246 PolarHBondContact OG1-NE1 2.68Å; T235-W246 VanDerWaalsContact OG1-NE1 3.15Å; R236-W246 PolarHBondContact O-NE1 2.72Å; P244-W246 HydrophobicContact CB-CD2 4.34Å; P244-W246 HydrophobicContact CB-CE3 4.39Å; P244-W246 HydrophobicContact CB-CH2 4.07Å; P244-W246 HydrophobicContact CB-CZ2 3.95Å; P244-W246 HydrophobicContact CB-CZ3 4.27Å; P244-W246 HydrophobicContact CG-CD2 4.48Å; P244-W246 HydrophobicContact CG-CE3 4.15Å; P244-W246 HydrophobicContact CG-CH2 3.3Å; P244-W246 HydrophobicContact CG-CZ2 3.65Å; P244-W246 HydrophobicContact CG-CZ3 3.57Å; W246-Q248 PolarHBondContact O-N 2.18Å; W246-Q248 PolarHBondContact O-NE2 3.04Å; W246-L321 HydrophobicContact CH2-CD1 4.43Å; W246-L321 HydrophobicContact CZ3-CD1 3.73Å |
| 247 | D | 83.1 | Confident | 78.3 | Confident | 68 Ų | 68 | 40.6 Ų | 40.6 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.7 | 48.4 | -172.2 | -150.1 | 48.7 | 0 | 0 | 0 | 115.3 | K208 V209 I210 F245 | K208-D247 WeakPolarHBondContact CE-OD1 3.35Å; K208-D247 VanDerWaalsContact NZ-CG 3.26Å; K208-D247 IonicContact NZ-OD1 2.99Å; K208-D247 PolarHBondContact NZ-OD1 2.85Å; K208-D247 IonicContact NZ-OD2 2.69Å; K208-D247 PolarHBondContact NZ-OD2 3.11Å; V209-D247 PolarHBondContact O-N 3.25Å; I210-D247 PolarHBondContact O-N 3.21Å; F245-D247 HydrophobicContact CD1-CB 4.5Å; F245-D247 HydrophobicContact CE1-CB 3.71Å; F245-D247 HydrophobicContact CZ-CB 3.94Å |
| 248 | Q | 82.5 | Confident | 78.2 | Confident | 38 Ų | 38 | 38 Ų | 38 | 18% | 0.178 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 145.1 | -175.3 | -79.9 | 159.3 | 57.5 | 0 | 0 | 112.8 | K208 V209 W246 F250 | K208-Q248 CarbonylContact C-O 3.39Å; K208-Q248 VanDerWaalsContact CA-O 3.32Å; K208-Q248 WeakPolarHBondContact CA-O 3.29Å; K208-Q248 WeakPolarHBondContact CG-O 3.26Å; V209-Q248 PolarHBondContact N-O 3.18Å; V209-Q248 PolarHBondContact O-N 3.46Å; W246-Q248 PolarHBondContact O-N 2.18Å; W246-Q248 PolarHBondContact O-NE2 3.04Å; Q248-F250 HydrophobicContact CB-CE2 4.1Å; Q248-F250 HydrophobicContact CB-CZ 4.14Å |
| 249 | T | 81.1 | Confident | 78.2 | Confident | 54 Ų | 54 | 34.1 Ų | 34.1 | 33% | 0.331 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.7 | -177.4 | -46.5 | 0 | 0 | 0 | 0 | 112 | V207 K208 F251 | V207-T249 CarbonylContact O-C 3.51Å; V207-T249 WeakPolarHBondContact O-CA 3.43Å; K208-T249 HydrophobicContact CB-CG2 4.16Å; K208-T249 WeakPolarHBondContact CG-OG1 3.18Å; T249-F251 HydrophobicContact CG2-CE1 4.4Å; T249-F251 HydrophobicContact CG2-CE2 3.78Å; T249-F251 HydrophobicContact CG2-CZ 3.55Å |
| 250 | F | 85 | Confident | 78.8 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 160.5 | -177.7 | -54.3 | -82 | 0 | 0 | 0 | 110.8 | R206 V207 V209 I226 K233 D234 T235 Q248 F252 | R206-F250 CarbonylContact C-O 3.56Å; R206-F250 WeakPolarHBondContact CA-O 3.18Å; V207-F250 PolarHBondContact N-O 3.22Å; V207-F250 WeakPolarHBondContact O-CD2 3.4Å; V207-F250 PolarHBondContact O-N 2.93Å; V209-F250 HydrophobicContact CB-CE2 4.44Å; V209-F250 HydrophobicContact CG2-CD2 4.44Å; V209-F250 HydrophobicContact CG2-CE2 4.21Å; I226-F250 HydrophobicContact CD1-CD2 3.45Å; I226-F250 VanDerWaalsContact CD1-CD2 3.45Å; I226-F250 HydrophobicContact CD1-CE2 3.41Å; I226-F250 VanDerWaalsContact CD1-CE2 3.41Å; I226-F250 HydrophobicContact CD1-CG 4.08Å; I226-F250 HydrophobicContact CD1-CZ 3.98Å; I226-F250 HydrophobicContact CG1-CD2 4.2Å; K233-F250 HydrophobicContact CB-CB 4.49Å; K233-F250 HydrophobicContact CB-CD1 3.57Å; K233-F250 HydrophobicContact CB-CE1 4.12Å; K233-F250 HydrophobicContact CB-CG 4.24Å; K233-F250 HydrophobicContact CD-CB 4.38Å; K233-F250 HydrophobicContact CD-CD1 4.29Å; K233-F250 HydrophobicContact CG-CD1 4.5Å; D234-F250 WeakPolarHBondContact O-CE1 3.26Å; T235-F250 HydrophobicContact CG2-CE2 3.67Å; T235-F250 HydrophobicContact CG2-CZ 3.61Å; Q248-F250 HydrophobicContact CB-CE2 4.1Å; Q248-F250 HydrophobicContact CB-CZ 4.14Å; F250-F252 HydrophobicContact CB-CE2 4.23Å |
| 251 | F | 74.2 | Confident | 79.5 | Confident | 27 Ų | 27 | 34.7 Ų | 34.7 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 136.7 | -172.4 | -59.5 | -93.4 | 0 | 0 | 0 | 109.3 | I205 R206 K233 T249 I1744 | I205-F251 CarbonylContact O-C 3.51Å; I205-F251 WeakPolarHBondContact O-CA 3.37Å; R206-F251 HydrophobicContact CB-CD1 4.24Å; R206-F251 HydrophobicContact CB-CE1 4.03Å; R206-F251 HydrophobicContact CG-CD1 3.79Å; R206-F251 HydrophobicContact CG-CE1 3.68Å; K233-F251 WeakPolarHBondContact CE-O 3.45Å; K233-F251 PolarHBondContact NZ-O 3.23Å; T249-F251 HydrophobicContact CG2-CE1 4.4Å; T249-F251 HydrophobicContact CG2-CE2 3.78Å; T249-F251 HydrophobicContact CG2-CZ 3.55Å; F251-I1744 HydrophobicContact CB-CG2 4.27Å; F251-I1744 HydrophobicContact CD1-CD1 4.33Å; F251-I1744 HydrophobicContact CD1-CG2 4.1Å; F251-I1744 HydrophobicContact CD2-CB 4.48Å; F251-I1744 HydrophobicContact CD2-CD1 4.25Å; F251-I1744 HydrophobicContact CD2-CG1 4.04Å; F251-I1744 HydrophobicContact CD2-CG2 3.6Å; F251-I1744 HydrophobicContact CE1-CD1 3.6Å; F251-I1744 HydrophobicContact CE1-CG1 4.42Å; F251-I1744 HydrophobicContact CE1-CG2 4.45Å; F251-I1744 HydrophobicContact CE2-CB 4.47Å; F251-I1744 HydrophobicContact CE2-CD1 3.54Å; F251-I1744 HydrophobicContact CE2-CG1 3.58Å; F251-I1744 HydrophobicContact CE2-CG2 4.03Å; F251-I1744 HydrophobicContact CG-CG2 3.7Å; F251-I1744 HydrophobicContact CZ-CD1 3.18Å; F251-I1744 HydrophobicContact CZ-CG1 3.81Å; F251-I1744 HydrophobicContact CZ-CG2 4.45Å |
| 252 | F | 83.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.7 | 176.1 | -54.8 | -91.3 | 0 | 0 | 0 | 107.9 | I205 V207 I226 C228 E231 K233 F250 F254 | I205-F252 HydrophobicContact CB-CB 4.4Å; I205-F252 PolarHBondContact N-O 2.9Å; I205-F252 PolarHBondContact O-N 3.18Å; V207-F252 HydrophobicContact CB-CE2 4.41Å; V207-F252 HydrophobicContact CG2-CD2 4.15Å; V207-F252 HydrophobicContact CG2-CE2 4.04Å; I226-F252 HydrophobicContact CB-CE2 4.24Å; I226-F252 HydrophobicContact CB-CZ 3.94Å; I226-F252 HydrophobicContact CG2-CE2 3.64Å; I226-F252 HydrophobicContact CG2-CZ 3.71Å; C228-F252 HydrophobicContact CB-CB 4.06Å; C228-F252 HydrophobicContact CB-CD1 3.68Å; C228-F252 HydrophobicContact CB-CD2 3.97Å; C228-F252 HydrophobicContact CB-CE1 4.04Å; C228-F252 HydrophobicContact CB-CE2 4.32Å; C228-F252 HydrophobicContact CB-CG 3.64Å; C228-F252 HydrophobicContact CB-CZ 4.35Å; E231-F252 HydrophobicContact CB-CD1 3.79Å; E231-F252 HydrophobicContact CB-CE1 4.02Å; E231-F252 WeakPolarHBondContact OE2-CD1 3.4Å; K233-F252 HydrophobicContact CB-CZ 4.27Å; K233-F252 HydrophobicContact CD-CE1 4.3Å; K233-F252 HydrophobicContact CD-CZ 4.4Å; K233-F252 HydrophobicContact CG-CE1 4.11Å; K233-F252 HydrophobicContact CG-CZ 4.25Å; F250-F252 HydrophobicContact CB-CE2 4.23Å; F252-F254 HydrophobicContact CB-CE2 3.54Å; F252-F254 HydrophobicContact CB-CZ 3.76Å |
| 253 | N | 79.8 | Confident | 80.3 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 16% | 0.16 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.6 | -172.6 | -52.6 | -40.6 | 0 | 0 | 0 | 110.2 | F203 Q204 Q1550 P1551 | F203-N253 WeakPolarHBondContact O-CA 3.43Å; Q204-N253 WeakPolarHBondContact CB-OD1 3.28Å; Q204-N253 VanDerWaalsContact CG-OD1 3.31Å; Q204-N253 WeakPolarHBondContact CG-OD1 3.04Å; Q204-N253 PolarHBondContact NE2-OD1 3.19Å; N253-Q1550 HydrophobicContact CB-CG 4.49Å; N253-Q1550 WeakPolarHBondContact ND2-CG 3.42Å; N253-Q1550 PolarHBondContact ND2-OE1 3.14Å; N253-Q1550 PolarHBondContact OD1-OE1 3.42Å; N253-P1551 HydrophobicContact CB-CB 4Å; N253-P1551 HydrophobicContact CB-CG 3.62Å |
| 254 | F | 79.5 | Confident | 80.6 | Confident | 17 Ų | 17 | 34.4 Ų | 34.4 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142 | -171.5 | -59.3 | -67.9 | 0 | 0 | 0 | 116.6 | F203 I205 C228 W229 F252 | F203-F254 PolarHBondContact N-O 2.67Å; F203-F254 PolarHBondContact O-N 2.79Å; I205-F254 HydrophobicContact CD1-CD2 3.9Å; I205-F254 HydrophobicContact CD1-CE2 3.83Å; I205-F254 HydrophobicContact CG1-CD2 4.44Å; C228-F254 HydrophobicContact CB-CE2 4.18Å; C228-F254 HydrophobicContact CB-CZ 4.08Å; C228-F254 VanDerWaalsContact SG-CE2 3.58Å; W229-F254 HydrophobicContact CB-CD1 4.05Å; W229-F254 HydrophobicContact CB-CE1 3.48Å; W229-F254 VanDerWaalsContact CB-CE1 3.48Å; W229-F254 HydrophobicContact CB-CE2 4.28Å; W229-F254 HydrophobicContact CB-CZ 3.6Å; W229-F254 AromaticContact CD2-CD1 3.95Å; W229-F254 HydrophobicContact CD2-CD1 3.95Å; W229-F254 HydrophobicContact CD2-CE1 4.3Å; W229-F254 HydrophobicContact CD2-CG 4.31Å; W229-F254 HydrophobicContact CE3-CB 3.73Å; W229-F254 AromaticContact CE3-CD1 3.52Å; W229-F254 HydrophobicContact CE3-CD1 3.52Å; W229-F254 AromaticContact CE3-CD2 4Å; W229-F254 HydrophobicContact CE3-CD2 4Å; W229-F254 HydrophobicContact CE3-CE1 4.17Å; W229-F254 AromaticContact CE3-CG 3.44Å; W229-F254 HydrophobicContact CE3-CG 3.44Å; W229-F254 VanDerWaalsContact CE3-CG 3.44Å; W229-F254 HydrophobicContact CG-CD1 4.2Å; W229-F254 HydrophobicContact CG-CE1 4.07Å; W229-F254 HydrophobicContact CZ3-CB 3.81Å; W229-F254 HydrophobicContact CZ3-CD1 4.39Å; W229-F254 HydrophobicContact CZ3-CG 4.05Å; F252-F254 HydrophobicContact CB-CE2 3.54Å; F252-F254 HydrophobicContact CB-CZ 3.76Å |
| 255 | F | 75.7 | Confident | 80.7 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 25% | 0.254 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 96.3 | 165.9 | -179.6 | -150 | 0 | 0 | 0 | 112 | K200 S1555 G1556 L1557 | K200-F255 HydrophobicContact CB-CD2 3.79Å; K200-F255 HydrophobicContact CB-CE2 3.46Å; K200-F255 VanDerWaalsContact CB-CE2 3.46Å; K200-F255 HydrophobicContact CB-CZ 4.27Å; K200-F255 HydrophobicContact CD-CD1 4.3Å; K200-F255 HydrophobicContact CD-CD2 3.87Å; K200-F255 HydrophobicContact CD-CE1 3.88Å; K200-F255 HydrophobicContact CD-CE2 3.54Å; K200-F255 HydrophobicContact CD-CG 4.37Å; K200-F255 HydrophobicContact CD-CZ 3.57Å; K200-F255 HydrophobicContact CG-CD2 4.45Å; K200-F255 HydrophobicContact CG-CE2 4.09Å; K200-F255 HydrophobicContact CG-CZ 4.48Å; F255-S1555 WeakPolarHBondContact CD2-O 3.42Å; F255-S1555 WeakPolarHBondContact CE2-O 3.36Å; F255-G1556 WeakPolarHBondContact CA-O 3.45Å; F255-G1556 WeakPolarHBondContact CB-O 3.37Å; F255-G1556 WeakPolarHBondContact CG-O 3.41Å; F255-G1556 PolarHBondContact N-O 3.39Å; F255-L1557 HydrophobicContact CB-CD2 3.6Å; F255-L1557 HydrophobicContact CB-CG 4.03Å; F255-L1557 HydrophobicContact CD1-CD1 3.65Å; F255-L1557 HydrophobicContact CD1-CD2 3.41Å; F255-L1557 VanDerWaalsContact CD1-CD2 3.41Å; F255-L1557 HydrophobicContact CD1-CG 3.48Å; F255-L1557 VanDerWaalsContact CD1-CG 3.48Å; F255-L1557 HydrophobicContact CD2-CD1 4.31Å; F255-L1557 HydrophobicContact CD2-CD2 4.21Å; F255-L1557 HydrophobicContact CD2-CG 3.65Å; F255-L1557 HydrophobicContact CE1-CD1 3.32Å; F255-L1557 HydrophobicContact CE1-CD2 4Å; F255-L1557 HydrophobicContact CE1-CG 3.65Å; F255-L1557 HydrophobicContact CE2-CD1 3.92Å; F255-L1557 HydrophobicContact CE2-CG 3.7Å; F255-L1557 HydrophobicContact CG-CD1 4.12Å; F255-L1557 HydrophobicContact CG-CD2 3.48Å; F255-L1557 VanDerWaalsContact CG-CD2 3.48Å; F255-L1557 HydrophobicContact CG-CG 3.45Å; F255-L1557 VanDerWaalsContact CG-CG 3.45Å; F255-L1557 HydrophobicContact CZ-CD1 3.39Å; F255-L1557 HydrophobicContact CZ-CG 3.69Å |
| 256 | D | 75.5 | Confident | 80.9 | Confident | 14 Ų | 14 | 33 Ų | 33 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 172.6 | 160 | -129.8 | -51.3 | 0 | 0 | 0 | 115.8 | K200 Q201 W229 A258 E260 M261 | K200-D256 VanDerWaalsContact CA-C 3.49Å; K200-D256 WeakPolarHBondContact CA-O 3.26Å; K200-D256 VanDerWaalsContact CE-OD1 3.31Å; K200-D256 WeakPolarHBondContact CE-OD1 3.5Å; K200-D256 IonicContact NZ-OD1 2.75Å; K200-D256 PolarHBondContact NZ-OD1 2.86Å; K200-D256 IonicContact NZ-OD2 3.14Å; K200-D256 PolarHBondContact NZ-OD2 3.44Å; Q201-D256 PolarHBondContact N-O 2.88Å; W229-D256 HydrophobicContact CH2-CB 3.4Å; W229-D256 VanDerWaalsContact CH2-CB 3.4Å; W229-D256 HydrophobicContact CZ2-CB 4.35Å; W229-D256 HydrophobicContact CZ3-CB 4.03Å; D256-A258 PolarHBondContact O-N 2.96Å; D256-E260 HydrophobicContact CB-CB 4.39Å; D256-M261 HydrophobicContact CB-CB 4.11Å |
| 257 | S | 78.5 | Confident | 81.2 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 138.6 | 167.6 | 64.8 | 0 | 0 | 0 | 0 | 108.7 | S197 T198 A259 E260 M261 | S197-S257 WeakPolarHBondContact O-CB 3.43Å; T198-S257 WeakPolarHBondContact O-CB 3.49Å; S257-A259 PolarHBondContact O-N 2.97Å; S257-E260 PolarHBondContact O-N 3.35Å; S257-E260 WeakPolarHBondContact OG-CB 3.43Å; S257-E260 WeakPolarHBondContact OG-CG 3.17Å; S257-E260 PolarHBondContact OG-N 2.76Å; S257-M261 VanDerWaalsContact O-CB 3.27Å; S257-M261 WeakPolarHBondContact O-CB 3.43Å; S257-M261 PolarHBondContact O-N 2.91Å |
| 258 | A | 75.1 | Confident | 81.7 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -51.6 | -32.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y196 S197 F203 D256 L262 | Y196-A258 HydrophobicContact CD1-CB 4.43Å; Y196-A258 HydrophobicContact CG-CB 4.49Å; S197-A258 PolarHBondContact O-N 3.11Å; F203-A258 HydrophobicContact CE2-CB 4.29Å; F203-A258 HydrophobicContact CZ-CB 3.89Å; D256-A258 PolarHBondContact O-N 2.96Å; A258-L262 HydrophobicContact CB-CD1 4Å; A258-L262 WeakPolarHBondContact O-CB 3.16Å; A258-L262 WeakPolarHBondContact O-CD1 3.5Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 3.03Å |
| 259 | A | 76.8 | Confident | 82.1 | Confident | 32 Ų | 32 | 29.6 Ų | 29.6 | 26% | 0.264 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S197 T198 S257 | S197-A259 PolarHBondContact O-N 2.83Å; T198-A259 HydrophobicContact CG2-CB 4.18Å; S257-A259 PolarHBondContact O-N 2.97Å |
| 260 | E | 79.5 | Confident | 82.5 | Confident | 108 Ų | 108 | 27 Ų | 27 | 51% | 0.505 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -83.1 | -33.1 | 179.9 | -72.6 | -176.6 | -153.9 | 0 | 0 | 113.1 | D256 S257 Q264 | D256-E260 HydrophobicContact CB-CB 4.39Å; S257-E260 PolarHBondContact O-N 3.35Å; S257-E260 WeakPolarHBondContact OG-CB 3.43Å; S257-E260 WeakPolarHBondContact OG-CG 3.17Å; S257-E260 PolarHBondContact OG-N 2.76Å; E260-Q264 WeakPolarHBondContact O-CG 3.47Å; E260-Q264 PolarHBondContact O-NE2 2.84Å |
| 261 | M | 81.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73.4 | -45.7 | -179 | 177.1 | -82.4 | -176.3 | 0 | 0 | 112.3 | F203 I205 W229 D256 S257 D263 Q264 L289 I327 | F203-M261 HydrophobicContact CB-CE 3.52Å; F203-M261 HydrophobicContact CB-SD 4.42Å; F203-M261 HydrophobicContact CD1-CE 4.39Å; F203-M261 HydrophobicContact CD2-CB 4.37Å; F203-M261 HydrophobicContact CD2-CE 4.29Å; F203-M261 HydrophobicContact CD2-CG 3.88Å; F203-M261 HydrophobicContact CD2-SD 4.1Å; F203-M261 HydrophobicContact CG-CE 3.82Å; F203-M261 HydrophobicContact CG-CG 4.35Å; F203-M261 HydrophobicContact CG-SD 4.12Å; I205-M261 HydrophobicContact CD1-CE 3.64Å; I205-M261 HydrophobicContact CG1-CE 3.94Å; W229-M261 HydrophobicContact CE3-CG 4.49Å; W229-M261 HydrophobicContact CH2-CB 4.01Å; W229-M261 HydrophobicContact CZ3-CB 3.66Å; W229-M261 HydrophobicContact CZ3-CG 3.7Å; D256-M261 HydrophobicContact CB-CB 4.11Å; S257-M261 VanDerWaalsContact O-CB 3.27Å; S257-M261 WeakPolarHBondContact O-CB 3.43Å; S257-M261 PolarHBondContact O-N 2.91Å; M261-D263 PolarHBondContact O-N 3.42Å; M261-Q264 WeakPolarHBondContact O-CB 3.39Å; M261-Q264 PolarHBondContact O-N 2.96Å; M261-L289 HydrophobicContact CE-CD1 3.91Å; M261-L289 HydrophobicContact SD-CB 4.42Å; M261-L289 HydrophobicContact SD-CD1 4.26Å; M261-I327 HydrophobicContact CE-CD1 4.35Å; M261-I327 HydrophobicContact CE-CG2 3.96Å |
| 262 | L | 82.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -10.1 | -178 | -61.3 | 173.1 | 0 | 0 | 0 | 113.1 | Y196 A258 L289 S290 Y293 I327 | Y196-L262 HydrophobicContact CD1-CD1 3.43Å; Y196-L262 VanDerWaalsContact CD1-CD1 3.43Å; Y196-L262 HydrophobicContact CD2-CD1 4.13Å; Y196-L262 HydrophobicContact CE1-CD1 3.38Å; Y196-L262 HydrophobicContact CE2-CD1 4.1Å; Y196-L262 HydrophobicContact CG-CD1 3.81Å; A258-L262 HydrophobicContact CB-CD1 4Å; A258-L262 WeakPolarHBondContact O-CB 3.16Å; A258-L262 WeakPolarHBondContact O-CD1 3.5Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 3.03Å; L262-L289 HydrophobicContact CD2-CB 4.22Å; L262-L289 PolarHBondContact O-N 3.1Å; L262-S290 WeakPolarHBondContact O-CB 3.31Å; L262-S290 PolarHBondContact O-N 2.82Å; L262-S290 PolarHBondContact O-OG 3.34Å; L262-Y293 HydrophobicContact CD1-CD1 3.82Å; L262-Y293 HydrophobicContact CD1-CE1 4.4Å; L262-Y293 HydrophobicContact CD1-CG 3.97Å; L262-Y293 VanDerWaalsContact CD2-CB 3.48Å; L262-Y293 HydrophobicContact CD2-CD1 4.48Å; L262-Y293 HydrophobicContact CD2-CD2 4.11Å; L262-Y293 HydrophobicContact CD2-CG 3.79Å; L262-I327 HydrophobicContact CD2-CD1 4.26Å |
| 263 | D | 81 | Confident | 82.9 | Confident | 70 Ų | 70 | 30.9 Ų | 30.9 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5.8 | 167.5 | -94.9 | -10.4 | 0 | 0 | 0 | 113.7 | R193 M261 | R193-D263 IonicContact CZ-OD1 2.75Å; R193-D263 IonicContact CZ-OD2 3.41Å; R193-D263 IonicContact NH1-OD1 2.83Å; R193-D263 PolarHBondContact NH1-OD1 3.39Å; R193-D263 IonicContact NH1-OD2 2.65Å; R193-D263 PolarHBondContact NH1-OD2 3.35Å; R193-D263 IonicContact NH2-OD1 2.79Å; R193-D263 PolarHBondContact NH2-OD1 3.03Å; R193-D263 IonicContact NH2-OD2 2.94Å; M261-D263 PolarHBondContact O-N 3.42Å |
| 264 | Q | 85.1 | Confident | 82.5 | Confident | 61 Ų | 61 | 33.9 Ų | 33.9 | 29% | 0.285 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -83.2 | 157.2 | 174 | -54.5 | -57.8 | -46.9 | 0 | 0 | 112.2 | W229 E260 M261 D288 L289 | W229-Q264 HydrophobicContact CD2-CB 4.33Å; W229-Q264 HydrophobicContact CD2-CG 3.59Å; W229-Q264 HydrophobicContact CE3-CB 4.39Å; W229-Q264 HydrophobicContact CE3-CG 3.75Å; W229-Q264 HydrophobicContact CG-CB 4.49Å; W229-Q264 HydrophobicContact CG-CG 4.07Å; W229-Q264 HydrophobicContact CH2-CG 3.83Å; W229-Q264 HydrophobicContact CZ2-CG 3.74Å; W229-Q264 HydrophobicContact CZ3-CG 3.89Å; E260-Q264 WeakPolarHBondContact O-CG 3.47Å; E260-Q264 PolarHBondContact O-NE2 2.84Å; M261-Q264 WeakPolarHBondContact O-CB 3.39Å; M261-Q264 PolarHBondContact O-N 2.96Å; Q264-D288 WeakPolarHBondContact O-CA 3.47Å; Q264-L289 HydrophobicContact CB-CD1 4.14Å; Q264-L289 WeakPolarHBondContact O-CG 3.45Å; Q264-L289 PolarHBondContact O-N 2.83Å |
| 265 | Q | 86 | Confident | 81.9 | Confident | 73 Ų | 73 | 38.6 Ų | 38.6 | 34% | 0.341 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.9 | -175.1 | -71.5 | -178.7 | -13.9 | 0 | 0 | 112.6 | V267 F287 D288 | Q265-V267 HydrophobicContact CB-CG2 4.37Å; Q265-F287 WeakPolarHBondContact CA-O 3.34Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.48Å; Q265-D288 PolarHBondContact NE2-OD1 3.02Å |
| 266 | L | 89.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122 | 163.5 | -174.4 | 63.6 | 0 | 0 | 0 | 108.3 | V207 I226 C228 F268 K286 F287 L289 V325 | V207-L266 HydrophobicContact CG2-CD1 4.22Å; V207-L266 HydrophobicContact CG2-CD2 3.89Å; I226-L266 HydrophobicContact CG2-CD1 3.82Å; C228-L266 HydrophobicContact CB-CD1 3.56Å; L266-F268 HydrophobicContact CD2-CE2 3.63Å; L266-F268 HydrophobicContact CD2-CZ 3.74Å; L266-F268 HydrophobicContact CG-CD2 4.43Å; L266-F268 HydrophobicContact CG-CE2 3.61Å; L266-F268 HydrophobicContact CG-CZ 4.03Å; L266-K286 VanDerWaalsContact O-CA 3.27Å; L266-K286 WeakPolarHBondContact O-CA 3.38Å; L266-F287 HydrophobicContact CB-CE2 4.41Å; L266-F287 HydrophobicContact CB-CZ 4.36Å; L266-F287 HydrophobicContact CD2-CE1 4.44Å; L266-F287 HydrophobicContact CD2-CE2 4.34Å; L266-F287 HydrophobicContact CD2-CZ 3.82Å; L266-F287 HydrophobicContact CG-CZ 4.48Å; L266-F287 PolarHBondContact N-O 3.04Å; L266-F287 PolarHBondContact O-N 2.96Å; L266-L289 HydrophobicContact CB-CD2 3.88Å; L266-L289 HydrophobicContact CD2-CD2 4.41Å; L266-V325 HydrophobicContact CD2-CG1 3.99Å; L266-V325 HydrophobicContact CD2-CG2 3.96Å |
| 267 | V | 91 | Very high | 80.5 | Confident | 31 Ų | 31 | 53.5 Ų | 53.5 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.2 | -173.5 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | I226 T227 Q265 S284 F285 K286 | I226-V267 CarbonylContact C-O 3.6Å; I226-V267 WeakPolarHBondContact CA-O 3.4Å; T227-V267 PolarHBondContact N-O 2.73Å; T227-V267 PolarHBondContact O-N 2.82Å; Q265-V267 HydrophobicContact CB-CG2 4.37Å; V267-S284 WeakPolarHBondContact CG1-OG 3.41Å; V267-F285 CarbonylContact C-O 3.59Å; V267-F285 WeakPolarHBondContact CA-O 3.43Å; V267-K286 HydrophobicContact CB-CB 4.25Å; V267-K286 HydrophobicContact CG1-CB 4.24Å; V267-K286 HydrophobicContact CG2-CB 3.83Å; V267-K286 HydrophobicContact CG2-CD 4.46Å |
| 268 | F | 92.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.6 | 172 | -64.9 | -96.7 | 0 | 0 | 0 | 108.2 | V207 V209 K225 I226 L266 S284 F285 F287 L305 L321 I323 V325 | V207-F268 HydrophobicContact CG1-CE1 3.36Å; V207-F268 HydrophobicContact CG1-CZ 3.47Å; V207-F268 VanDerWaalsContact CG1-CZ 3.47Å; V209-F268 HydrophobicContact CG2-CD1 4.48Å; V209-F268 HydrophobicContact CG2-CE1 4.27Å; K225-F268 CarbonylContact O-C 3.53Å; I226-F268 HydrophobicContact CG1-CD1 3.89Å; I226-F268 HydrophobicContact CG1-CE1 3.88Å; I226-F268 HydrophobicContact CG2-CD1 4.25Å; I226-F268 HydrophobicContact CG2-CE1 3.94Å; I226-F268 HydrophobicContact CG2-CZ 4.25Å; L266-F268 HydrophobicContact CD2-CE2 3.63Å; L266-F268 HydrophobicContact CD2-CZ 3.74Å; L266-F268 HydrophobicContact CG-CD2 4.43Å; L266-F268 HydrophobicContact CG-CE2 3.61Å; L266-F268 HydrophobicContact CG-CZ 4.03Å; F268-S284 CarbonylContact O-C 3.56Å; F268-S284 WeakPolarHBondContact O-CA 3.27Å; F268-S284 PolarHBondContact O-OG 3.43Å; F268-F285 PolarHBondContact N-O 2.79Å; F268-F285 PolarHBondContact O-N 2.92Å; F268-F287 HydrophobicContact CD2-CE1 4.26Å; F268-F287 AromaticContact CE2-CE1 3.7Å; F268-F287 HydrophobicContact CE2-CE1 3.7Å; F268-F287 HydrophobicContact CE2-CZ 4.2Å; F268-L305 HydrophobicContact CB-CD1 4.11Å; F268-L305 HydrophobicContact CD1-CD1 4.28Å; F268-L305 HydrophobicContact CD2-CD1 3.43Å; F268-L305 VanDerWaalsContact CD2-CD1 3.43Å; F268-L305 HydrophobicContact CE2-CD1 3.87Å; F268-L305 HydrophobicContact CG-CD1 3.67Å; F268-L305 HydrophobicContact CZ-CD1 4.44Å; F268-L321 HydrophobicContact CB-CD2 3.77Å; F268-L321 HydrophobicContact CD1-CD2 3.62Å; F268-L321 HydrophobicContact CG-CD2 3.96Å; F268-I323 HydrophobicContact CD1-CG2 4.1Å; F268-I323 HydrophobicContact CE1-CB 4.4Å; F268-I323 HydrophobicContact CE1-CD1 4.04Å; F268-I323 HydrophobicContact CE1-CG2 3.71Å; F268-I323 HydrophobicContact CE2-CD1 3.68Å; F268-I323 HydrophobicContact CZ-CD1 3.39Å; F268-I323 HydrophobicContact CZ-CG2 4.21Å; F268-V325 HydrophobicContact CZ-CG2 4.28Å |
| 269 | T | 90.9 | Very high | 78.6 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 8% | 0.08 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 121.5 | -177.7 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | K225 Y271 L281 G283 S284 | K225-T269 PolarHBondContact N-O 3.47Å; K225-T269 PolarHBondContact O-N 3.41Å; T269-Y271 HydrophobicContact CG2-CD2 4.27Å; T269-Y271 HydrophobicContact CG2-CE1 4.06Å; T269-Y271 HydrophobicContact CG2-CE2 3.58Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.45Å; T269-L281 HydrophobicContact CG2-CD1 3.31Å; T269-G283 WeakPolarHBondContact CA-O 3.29Å; T269-S284 PolarHBondContact OG1-OG 2.98Å; T269-S284 VanDerWaalsContact OG1-OG 3.07Å |
| 270 | V | 90.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.9 | -179.5 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | L215 P222 I223 C224 I282 G283 L307 L321 | L215-V270 HydrophobicContact CD1-CG1 3.93Å; L215-V270 HydrophobicContact CD2-CB 4.47Å; L215-V270 HydrophobicContact CD2-CG1 4.1Å; L215-V270 HydrophobicContact CD2-CG2 4.48Å; P222-V270 HydrophobicContact CB-CG1 4.14Å; I223-V270 CarbonylContact O-C 3.48Å; I223-V270 WeakPolarHBondContact O-CA 3.26Å; C224-V270 HydrophobicContact CB-CG2 4.32Å; V270-I282 HydrophobicContact CG1-CD1 4.14Å; V270-I282 WeakPolarHBondContact O-CB 3.35Å; V270-I282 PolarHBondContact O-N 3.01Å; V270-G283 PolarHBondContact N-O 2.61Å; V270-G283 PolarHBondContact O-N 3.01Å; V270-L307 HydrophobicContact CB-CD1 4.25Å; V270-L307 HydrophobicContact CG2-CD1 3.68Å; V270-L307 HydrophobicContact CG2-CD2 4.32Å; V270-L321 HydrophobicContact CG2-CD1 4.44Å |
| 271 | Y | 88.1 | Confident | 79 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 27% | 0.271 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 152.7 | 178.1 | -57.8 | -88.1 | 0 | 0 | 0 | 111.3 | P222 I223 K225 T269 S280 L281 | P222-Y271 CarbonylContact C-O 3.59Å; P222-Y271 VanDerWaalsContact CA-O 3.31Å; P222-Y271 WeakPolarHBondContact CA-O 3.44Å; I223-Y271 WeakPolarHBondContact CG2-O 3.47Å; I223-Y271 PolarHBondContact N-O 3.11Å; I223-Y271 PolarHBondContact O-N 3.21Å; K225-Y271 HydrophobicContact CB-CD2 4.34Å; K225-Y271 HydrophobicContact CB-CE2 3.85Å; K225-Y271 HydrophobicContact CD-CE2 4.3Å; T269-Y271 HydrophobicContact CG2-CD2 4.27Å; T269-Y271 HydrophobicContact CG2-CE1 4.06Å; T269-Y271 HydrophobicContact CG2-CE2 3.58Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.45Å; Y271-S280 CarbonylContact C-O 3.54Å; Y271-S280 WeakPolarHBondContact CA-O 3.43Å; Y271-S280 WeakPolarHBondContact CB-O 3.48Å; Y271-S280 WeakPolarHBondContact CD1-OG 3.42Å; Y271-L281 HydrophobicContact CD1-CB 4.2Å; Y271-L281 HydrophobicContact CD1-CD1 4.32Å; Y271-L281 HydrophobicContact CE1-CB 4.18Å; Y271-L281 HydrophobicContact CE1-CD1 4.04Å |
| 272 | D | 83.3 | Confident | 79 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.032 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112.7 | 163.3 | 179.4 | 11.7 | 0 | 0 | 0 | 109.9 | I220 S221 R274 R275 S280 I282 | I220-D272 HydrophobicContact CB-CB 4.24Å; I220-D272 HydrophobicContact CG2-CB 4.2Å; S221-D272 PolarHBondContact N-OD1 2.83Å; D272-R274 PolarHBondContact O-N 3.46Å; D272-R274 PolarHBondContact OD1-N 2.9Å; D272-R275 HydrophobicContact CB-CG 4.45Å; D272-R275 PolarHBondContact O-N 2.65Å; D272-R275 WeakPolarHBondContact OD2-CG 3.33Å; D272-R275 IonicContact OD2-NE 2.7Å; D272-S280 PolarHBondContact N-O 3.21Å; D272-I282 HydrophobicContact CB-CD1 4.08Å; D272-I282 HydrophobicContact CB-CG1 4.36Å |
| 273 | S | 78.4 | Confident | 79.3 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -10.2 | -178.8 | 85.2 | 0 | 0 | 0 | 0 | 114 | S221 V237 | S221-S273 VanDerWaalsContact CB-OG 3.32Å; S221-S273 WeakPolarHBondContact CB-OG 3.16Å; S221-S273 WeakPolarHBondContact O-CB 3.41Å; S221-S273 PolarHBondContact O-N 2.9Å; S221-S273 PolarHBondContact O-OG 3.32Å; V237-S273 VanDerWaalsContact CG1-OG 3.24Å; V237-S273 WeakPolarHBondContact CG1-OG 3.47Å |
| 274 | R | 71.5 | Confident | 79.6 | Confident | 94 Ų | 94 | 64.3 Ų | 64.3 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.8 | 174.9 | -83.1 | -174.7 | -87.1 | -168.2 | -12 | 113.5 | N219 I220 S221 C240 D272 | N219-R274 VanDerWaalsContact CG-NH1 3.28Å; N219-R274 PolarHBondContact ND2-NH1 2.62Å; N219-R274 PolarHBondContact O-NE 3.43Å; N219-R274 PolarHBondContact O-NH1 3.05Å; N219-R274 PolarHBondContact O-NH2 2.91Å; N219-R274 VanDerWaalsContact OD1-CZ 3.26Å; N219-R274 PolarHBondContact OD1-NH1 2.88Å; N219-R274 PolarHBondContact OD1-NH2 2.8Å; I220-R274 PolarHBondContact O-NH2 2.81Å; S221-R274 PolarHBondContact OG-NE 3.37Å; S221-R274 PolarHBondContact OG-NH2 2.82Å; C240-R274 VanDerWaalsContact CA-NH2 3.29Å; C240-R274 PolarHBondContact SG-NH2 2.99Å; D272-R274 PolarHBondContact O-N 3.46Å; D272-R274 PolarHBondContact OD1-N 2.9Å |
| 275 | R | 67.3 | Low | 79.9 | Confident | 115 Ų | 115 | 61.7 Ų | 61.7 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -96.5 | 152.9 | -177.5 | -71.4 | 179.9 | -175.1 | -164.6 | -1.2 | 112.3 | D272 D279 | D272-R275 HydrophobicContact CB-CG 4.45Å; D272-R275 PolarHBondContact O-N 2.65Å; D272-R275 WeakPolarHBondContact OD2-CG 3.33Å; D272-R275 IonicContact OD2-NE 2.7Å; R275-D279 WeakPolarHBondContact CD-O 3.17Å; R275-D279 PolarHBondContact NH1-O 2.85Å |
| 276 | L | 58.2 | Low | 80.1 | Confident | 150 Ų | 150 | 63.8 Ų | 63.8 | 79% | 0.785 | 29% | 0.286 | S | S | * | . | trans | -70.7 | 152.3 | 172.9 | -70.3 | 165.6 | 0 | 0 | 0 | 110.8 | R278 D279 S280 | L276-R278 VanDerWaalsContact C-N 3.3Å; L276-R278 PolarHBondContact O-N 2.69Å; L276-D279 PolarHBondContact O-N 2.97Å; L276-S280 PolarHBondContact O-N 3.01Å | ||
| 277 | R | 62.9 | Low | 79.9 | Confident | 235 Ų | 235 | 64.5 Ų | 64.5 | 89% | 0.887 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.4 | -40.3 | -160.8 | -71 | -175.1 | 178.9 | 177.5 | 0.1 | 116.9 | S280 | R277-S280 PolarHBondContact O-OG 3.27Š|
| 278 | R | 54.6 | Low | 79.8 | Confident | 237 Ų | 237 | 65.2 Ų | 65.2 | 89% | 0.894 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -39.8 | -177 | -72.8 | -173.2 | 178.4 | 173 | -0 | 113.2 | L276 S280 | L276-R278 VanDerWaalsContact C-N 3.3Å; L276-R278 PolarHBondContact O-N 2.69Å; R278-S280 VanDerWaalsContact C-N 3.32Å |
| 279 | D | 60.4 | Low | 79.4 | Confident | 111 Ų | 111 | 65.2 Ų | 65.2 | 59% | 0.594 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4 | -173.4 | -45.3 | -39.6 | 0 | 0 | 0 | 112.1 | R275 L276 | R275-D279 WeakPolarHBondContact CD-O 3.17Å; R275-D279 PolarHBondContact NH1-O 2.85Å; L276-D279 PolarHBondContact O-N 2.97Å |
| 280 | S | 79 | Confident | 79 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -19.5 | -177.4 | 69.8 | 0 | 0 | 0 | 0 | 114.6 | Y271 D272 L276 R277 R278 I282 | Y271-S280 CarbonylContact C-O 3.54Å; Y271-S280 WeakPolarHBondContact CA-O 3.43Å; Y271-S280 WeakPolarHBondContact CB-O 3.48Å; Y271-S280 WeakPolarHBondContact CD1-OG 3.42Å; D272-S280 PolarHBondContact N-O 3.21Å; L276-S280 PolarHBondContact O-N 3.01Å; R277-S280 PolarHBondContact O-OG 3.27Å; R278-S280 VanDerWaalsContact C-N 3.32Å; S280-I282 PolarHBondContact O-N 3.49Å |
| 281 | L | 84.2 | Confident | 78.7 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 120.3 | -177.9 | 175.7 | 61.6 | 0 | 0 | 0 | 111 | T269 Y271 P310 | T269-L281 HydrophobicContact CG2-CD1 3.31Å; Y271-L281 HydrophobicContact CD1-CB 4.2Å; Y271-L281 HydrophobicContact CD1-CD1 4.32Å; Y271-L281 HydrophobicContact CE1-CB 4.18Å; Y271-L281 HydrophobicContact CE1-CD1 4.04Å; L281-P310 HydrophobicContact CD2-CG 4.32Å |
| 282 | I | 83 | Confident | 78.4 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -52.7 | 172.2 | -63.1 | 163.2 | 0 | 0 | 0 | 109.6 | L215 Q216 I220 V270 D272 S280 K318 | L215-I282 HydrophobicContact CB-CG2 4.39Å; Q216-I282 HydrophobicContact CB-CG2 4.31Å; I220-I282 HydrophobicContact CD1-CD1 3.54Å; V270-I282 HydrophobicContact CG1-CD1 4.14Å; V270-I282 WeakPolarHBondContact O-CB 3.35Å; V270-I282 PolarHBondContact O-N 3.01Å; D272-I282 HydrophobicContact CB-CD1 4.08Å; D272-I282 HydrophobicContact CB-CG1 4.36Å; S280-I282 PolarHBondContact O-N 3.49Å; I282-K318 WeakPolarHBondContact O-CB 3.37Å; I282-K318 WeakPolarHBondContact O-CG 3.15Å |
| 283 | G | 86.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | 164.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T269 V270 | T269-G283 WeakPolarHBondContact CA-O 3.29Å; V270-G283 PolarHBondContact N-O 2.61Å; V270-G283 PolarHBondContact O-N 3.01Å |
| 284 | S | 88.8 | Confident | 78.6 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 152.2 | -178.2 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | V267 F268 T269 C308 | V267-S284 WeakPolarHBondContact CG1-OG 3.41Å; F268-S284 CarbonylContact O-C 3.56Å; F268-S284 WeakPolarHBondContact O-CA 3.27Å; F268-S284 PolarHBondContact O-OG 3.43Å; T269-S284 PolarHBondContact OG1-OG 2.98Å; T269-S284 VanDerWaalsContact OG1-OG 3.07Å; S284-C308 PolarHBondContact N-O 2.71Å; S284-C308 PolarHBondContact O-N 2.87Å; S284-C308 VanDerWaalsContact O-O 3.12Å |
| 285 | F | 90.7 | Very high | 79 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.9 | 170 | -172.5 | -98.7 | 0 | 0 | 0 | 109.2 | V267 F268 F287 L305 L306 L307 L353 P355 | V267-F285 CarbonylContact C-O 3.59Å; V267-F285 WeakPolarHBondContact CA-O 3.43Å; F268-F285 PolarHBondContact N-O 2.79Å; F268-F285 PolarHBondContact O-N 2.92Å; F285-F287 AromaticContact CD1-CD1 3.68Å; F285-F287 HydrophobicContact CD1-CD1 3.68Å; F285-F287 HydrophobicContact CD1-CE1 4.23Å; F285-F287 HydrophobicContact CE1-CB 4.22Å; F285-F287 AromaticContact CE1-CD1 3.41Å; F285-F287 HydrophobicContact CE1-CD1 3.41Å; F285-F287 VanDerWaalsContact CE1-CD1 3.41Å; F285-F287 HydrophobicContact CE1-CE1 4.13Å; F285-F287 HydrophobicContact CE1-CG 4.22Å; F285-L305 HydrophobicContact CB-CB 4.1Å; F285-L305 HydrophobicContact CB-CD1 4.12Å; F285-L305 HydrophobicContact CD1-CB 3.83Å; F285-L305 HydrophobicContact CD1-CD1 3.63Å; F285-L305 HydrophobicContact CD1-CD2 3.8Å; F285-L305 HydrophobicContact CD1-CG 3.94Å; F285-L305 HydrophobicContact CD2-CB 4.21Å; F285-L305 HydrophobicContact CE1-CB 4.28Å; F285-L305 HydrophobicContact CE1-CD1 4.39Å; F285-L305 HydrophobicContact CE1-CD2 3.68Å; F285-L305 HydrophobicContact CE1-CG 4.32Å; F285-L305 HydrophobicContact CG-CB 3.8Å; F285-L305 HydrophobicContact CG-CD1 4.12Å; F285-L305 HydrophobicContact CG-CG 4.39Å; F285-L305 HydrophobicContact CZ-CD2 4.39Å; F285-L306 WeakPolarHBondContact CD2-O 3.42Å; F285-L307 HydrophobicContact CB-CD2 4.08Å; F285-L353 HydrophobicContact CE1-CB 4.21Å; F285-L353 WeakPolarHBondContact CE2-O 3.36Å; F285-L353 HydrophobicContact CZ-CB 3.74Å; F285-P355 HydrophobicContact CD2-CG 3.82Å; F285-P355 HydrophobicContact CE2-CB 4.45Å; F285-P355 HydrophobicContact CE2-CG 3.77Å |
| 286 | K | 89.2 | Confident | 79.4 | Confident | 117 Ų | 117 | 69.9 Ų | 69.9 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 148.3 | 174.4 | 67.5 | -179.9 | -166 | 156.3 | 0 | 112.5 | L266 V267 | L266-K286 VanDerWaalsContact O-CA 3.27Å; L266-K286 WeakPolarHBondContact O-CA 3.38Å; V267-K286 HydrophobicContact CB-CB 4.25Å; V267-K286 HydrophobicContact CG1-CB 4.24Å; V267-K286 HydrophobicContact CG2-CB 3.83Å; V267-K286 HydrophobicContact CG2-CD 4.46Å |
| 287 | F | 87.2 | Confident | 80.3 | Confident | 14 Ų | 14 | 71 Ų | 71 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 157.3 | 177.5 | 61.7 | -89.6 | 0 | 0 | 0 | 110.6 | Q265 L266 F268 F285 I291 V292 M300 L305 I323 V325 | Q265-F287 WeakPolarHBondContact CA-O 3.34Å; L266-F287 HydrophobicContact CB-CE2 4.41Å; L266-F287 HydrophobicContact CB-CZ 4.36Å; L266-F287 HydrophobicContact CD2-CE1 4.44Å; L266-F287 HydrophobicContact CD2-CE2 4.34Å; L266-F287 HydrophobicContact CD2-CZ 3.82Å; L266-F287 HydrophobicContact CG-CZ 4.48Å; L266-F287 PolarHBondContact N-O 3.04Å; L266-F287 PolarHBondContact O-N 2.96Å; F268-F287 HydrophobicContact CD2-CE1 4.26Å; F268-F287 AromaticContact CE2-CE1 3.7Å; F268-F287 HydrophobicContact CE2-CE1 3.7Å; F268-F287 HydrophobicContact CE2-CZ 4.2Å; F285-F287 AromaticContact CD1-CD1 3.68Å; F285-F287 HydrophobicContact CD1-CD1 3.68Å; F285-F287 HydrophobicContact CD1-CE1 4.23Å; F285-F287 HydrophobicContact CE1-CB 4.22Å; F285-F287 AromaticContact CE1-CD1 3.41Å; F285-F287 HydrophobicContact CE1-CD1 3.41Å; F285-F287 VanDerWaalsContact CE1-CD1 3.41Å; F285-F287 HydrophobicContact CE1-CE1 4.13Å; F285-F287 HydrophobicContact CE1-CG 4.22Å; F287-I291 HydrophobicContact CB-CD1 4.04Å; F287-I291 HydrophobicContact CD2-CB 4.47Å; F287-V292 HydrophobicContact CE2-CG2 3.53Å; F287-V292 HydrophobicContact CZ-CG2 4.08Å; F287-M300 HydrophobicContact CZ-SD 4.49Å; F287-L305 HydrophobicContact CE1-CD2 4.37Å; F287-I323 HydrophobicContact CE1-CD1 4.36Å; F287-I323 HydrophobicContact CZ-CD1 4.47Å; F287-V325 HydrophobicContact CZ-CG2 4.25Å |
| 288 | D | 86.9 | Confident | 81.3 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 138.8 | 179.5 | -52.3 | -23.6 | 0 | 0 | 0 | 109.8 | Q264 Q265 S290 I291 | Q264-D288 WeakPolarHBondContact O-CA 3.47Å; Q265-D288 WeakPolarHBondContact CG-OD1 3.48Å; Q265-D288 PolarHBondContact NE2-OD1 3.02Å; D288-S290 PolarHBondContact O-N 2.94Å; D288-I291 WeakPolarHBondContact O-CB 3.28Å; D288-I291 PolarHBondContact O-N 3.44Å |
| 289 | L | 85.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.1 | -171.3 | -74.5 | 166.8 | 0 | 0 | 0 | 114.2 | I205 M261 L262 Q264 L266 I291 V292 Y293 I327 | I205-L289 HydrophobicContact CD1-CD1 3.47Å; I205-L289 VanDerWaalsContact CD1-CD1 3.47Å; I205-L289 HydrophobicContact CD1-CD2 3.54Å; I205-L289 HydrophobicContact CD1-CG 4.13Å; I205-L289 HydrophobicContact CG2-CD2 4.37Å; M261-L289 HydrophobicContact CE-CD1 3.91Å; M261-L289 HydrophobicContact SD-CB 4.42Å; M261-L289 HydrophobicContact SD-CD1 4.26Å; L262-L289 HydrophobicContact CD2-CB 4.22Å; L262-L289 PolarHBondContact O-N 3.1Å; Q264-L289 HydrophobicContact CB-CD1 4.14Å; Q264-L289 WeakPolarHBondContact O-CG 3.45Å; Q264-L289 PolarHBondContact O-N 2.83Å; L266-L289 HydrophobicContact CB-CD2 3.88Å; L266-L289 HydrophobicContact CD2-CD2 4.41Å; L289-I291 PolarHBondContact O-N 2.9Å; L289-I291 VanDerWaalsContact O-N 3.11Å; L289-V292 PolarHBondContact O-N 2.8Å; L289-Y293 PolarHBondContact O-N 2.95Å; L289-I327 HydrophobicContact CB-CD1 4.03Å; L289-I327 HydrophobicContact CD2-CD1 4.05Å; L289-I327 VanDerWaalsContact O-CD1 3.24Å; L289-I327 WeakPolarHBondContact O-CD1 3.25Å |
| 290 | S | 82.6 | Confident | 83.8 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -41.8 | -41.2 | 166.8 | 32.6 | 0 | 0 | 0 | 0 | 113.3 | L262 D288 V292 Y293 E294 | L262-S290 WeakPolarHBondContact O-CB 3.31Å; L262-S290 PolarHBondContact O-N 2.82Å; L262-S290 PolarHBondContact O-OG 3.34Å; D288-S290 PolarHBondContact O-N 2.94Å; S290-V292 VanDerWaalsContact C-N 3.3Å; S290-V292 PolarHBondContact O-N 3.08Å; S290-Y293 PolarHBondContact O-N 2.89Å; S290-Y293 VanDerWaalsContact O-N 3.14Å; S290-E294 WeakPolarHBondContact O-CG 3.27Å; S290-E294 PolarHBondContact O-N 3.13Å |
| 291 | I | 84 | Confident | 84.1 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.6 | -31.8 | -176.3 | -63.5 | 161.7 | 0 | 0 | 0 | 112.5 | F287 D288 L289 C295 M300 | F287-I291 HydrophobicContact CB-CD1 4.04Å; F287-I291 HydrophobicContact CD2-CB 4.47Å; D288-I291 WeakPolarHBondContact O-CB 3.28Å; D288-I291 PolarHBondContact O-N 3.44Å; L289-I291 PolarHBondContact O-N 2.9Å; L289-I291 VanDerWaalsContact O-N 3.11Å; I291-C295 PolarHBondContact O-SG 3.02Å; I291-M300 HydrophobicContact CG2-CE 3.93Å |
| 292 | V | 83 | Confident | 84 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -81.5 | -36.5 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | F287 L289 S290 E294 C295 H298 M300 V325 I327 | F287-V292 HydrophobicContact CE2-CG2 3.53Å; F287-V292 HydrophobicContact CZ-CG2 4.08Å; L289-V292 PolarHBondContact O-N 2.8Å; S290-V292 VanDerWaalsContact C-N 3.3Å; S290-V292 PolarHBondContact O-N 3.08Å; V292-E294 VanDerWaalsContact C-N 3.3Å; V292-E294 PolarHBondContact O-N 2.52Å; V292-C295 WeakPolarHBondContact O-CB 3.38Å; V292-C295 PolarHBondContact O-N 2.96Å; V292-C295 VanDerWaalsContact O-N 3.14Å; V292-H298 WeakPolarHBondContact CG1-O 3.22Å; V292-H298 CarbonylContact O-C 3.47Å; V292-H298 WeakPolarHBondContact O-CA 3.19Å; V292-M300 HydrophobicContact CG1-CB 4.17Å; V292-M300 HydrophobicContact CG2-CB 4.03Å; V292-M300 HydrophobicContact CG2-CE 3.55Å; V292-M300 HydrophobicContact CG2-SD 3.81Å; V292-V325 HydrophobicContact CG1-CB 4.17Å; V292-V325 HydrophobicContact CG1-CG1 4.01Å; V292-V325 HydrophobicContact CG2-CB 3.95Å; V292-V325 HydrophobicContact CG2-CG1 4.03Å; V292-I327 HydrophobicContact CB-CD1 3.79Å; V292-I327 HydrophobicContact CB-CG1 4.15Å; V292-I327 HydrophobicContact CG1-CB 4.46Å; V292-I327 HydrophobicContact CG1-CD1 3.97Å; V292-I327 HydrophobicContact CG1-CG1 3.77Å |
| 293 | Y | 81.7 | Confident | 84.1 | Confident | 48 Ų | 48 | 49 Ų | 49 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.6 | -29.1 | 178.6 | -158.4 | -96.4 | 0 | 0 | 0 | 112.6 | Y196 F203 L262 L289 S290 C295 H298 I327 | Y196-Y293 HydrophobicContact CE1-CD1 4.19Å; F203-Y293 HydrophobicContact CD1-CE2 4.17Å; F203-Y293 HydrophobicContact CE1-CD2 4.48Å; F203-Y293 AromaticContact CE1-CE2 3.66Å; F203-Y293 HydrophobicContact CE1-CE2 3.66Å; L262-Y293 HydrophobicContact CD1-CD1 3.82Å; L262-Y293 HydrophobicContact CD1-CE1 4.4Å; L262-Y293 HydrophobicContact CD1-CG 3.97Å; L262-Y293 VanDerWaalsContact CD2-CB 3.48Å; L262-Y293 HydrophobicContact CD2-CD1 4.48Å; L262-Y293 HydrophobicContact CD2-CD2 4.11Å; L262-Y293 HydrophobicContact CD2-CG 3.79Å; L289-Y293 PolarHBondContact O-N 2.95Å; S290-Y293 PolarHBondContact O-N 2.89Å; S290-Y293 VanDerWaalsContact O-N 3.14Å; Y293-C295 VanDerWaalsContact C-N 3.27Å; Y293-C295 PolarHBondContact O-N 3.46Å; Y293-H298 AromaticContact CD1-ND1 3.78Å; Y293-H298 HydrophobicContact CD2-CB 4.16Å; Y293-H298 AromaticContact CD2-CG 3.92Å; Y293-H298 AromaticContact CD2-ND1 3.69Å; Y293-H298 AromaticContact CE1-CE1 3.72Å; Y293-H298 AromaticContact CE1-ND1 3.87Å; Y293-H298 HydrophobicContact CE2-CB 4.47Å; Y293-H298 AromaticContact CE2-CG 3.91Å; Y293-H298 AromaticContact CE2-ND1 3.79Å; Y293-H298 AromaticContact CG-ND1 3.7Å; Y293-H298 AromaticContact CZ-CE1 3.78Å; Y293-H298 AromaticContact CZ-ND1 3.88Å; Y293-H298 PolarHBondContact O-CE1 2.91Å; Y293-H298 PolarHBondContact O-ND1 3.47Å; Y293-I327 HydrophobicContact CD2-CB 4.15Å; Y293-I327 HydrophobicContact CD2-CG2 3.77Å; Y293-I327 HydrophobicContact CE2-CG2 4.24Å |
| 294 | E | 82.2 | Confident | 84.2 | Confident | 124 Ų | 124 | 49 Ų | 49 | 58% | 0.579 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -6.7 | 173.3 | -69.2 | 174.1 | -168.1 | 0 | 0 | 113.5 | Y196 S290 V292 | Y196-E294 VanDerWaalsContact OH-CD 3.32Å; Y196-E294 WeakPolarHBondContact OH-CG 3.17Å; Y196-E294 PolarHBondContact OH-OE1 2.98Å; S290-E294 WeakPolarHBondContact O-CG 3.27Å; S290-E294 PolarHBondContact O-N 3.13Å; V292-E294 VanDerWaalsContact C-N 3.3Å; V292-E294 PolarHBondContact O-N 2.52Å |
| 295 | C | 80.8 | Confident | 84.2 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -79.5 | 158.1 | 174.5 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | I291 V292 Y293 R297 H298 A299 | I291-C295 PolarHBondContact O-SG 3.02Å; V292-C295 WeakPolarHBondContact O-CB 3.38Å; V292-C295 PolarHBondContact O-N 2.96Å; V292-C295 VanDerWaalsContact O-N 3.14Å; Y293-C295 VanDerWaalsContact C-N 3.27Å; Y293-C295 PolarHBondContact O-N 3.46Å; C295-R297 PolarHBondContact O-N 2.69Å; C295-H298 WeakPolarHBondContact O-CA 3.43Å; C295-H298 PolarHBondContact O-N 3.45Å; C295-A299 WeakPolarHBondContact CB-O 3.37Å |
| 296 | D | 76.5 | Confident | 84.1 | Confident | 151 Ų | 151 | 48.3 Ų | 48.3 | 81% | 0.807 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -50.9 | 127.7 | 173.3 | -86.2 | -19.7 | 0 | 0 | 0 | 111.5 | H298 A299 | D296-H298 PolarHBondContact O-N 2.99Å; D296-A299 PolarHBondContact O-N 3.38Å |
| 297 | R | 75.5 | Confident | 84.1 | Confident | 174 Ų | 174 | 42.7 Ų | 42.7 | 66% | 0.657 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | 55.4 | 29 | -175.7 | -50.4 | -178.1 | 177.9 | -148.2 | -3.2 | 114.2 | C295 A299 | C295-R297 PolarHBondContact O-N 2.69Å; R297-A299 HydrophobicContact CB-CB 4.37Å; R297-A299 WeakPolarHBondContact O-CB 3.48Å; R297-A299 PolarHBondContact O-N 2.79Å; R297-A299 VanDerWaalsContact O-N 3.07Å |
| 298 | H | 83.8 | Confident | 83.9 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | 55 | 29.3 | -177.6 | -50.3 | -55.9 | 0 | 0 | 0 | 112.3 | V292 Y293 C295 D296 I327 D332 | V292-H298 WeakPolarHBondContact CG1-O 3.22Å; V292-H298 CarbonylContact O-C 3.47Å; V292-H298 WeakPolarHBondContact O-CA 3.19Å; Y293-H298 AromaticContact CD1-ND1 3.78Å; Y293-H298 HydrophobicContact CD2-CB 4.16Å; Y293-H298 AromaticContact CD2-CG 3.92Å; Y293-H298 AromaticContact CD2-ND1 3.69Å; Y293-H298 AromaticContact CE1-CE1 3.72Å; Y293-H298 AromaticContact CE1-ND1 3.87Å; Y293-H298 HydrophobicContact CE2-CB 4.47Å; Y293-H298 AromaticContact CE2-CG 3.91Å; Y293-H298 AromaticContact CE2-ND1 3.79Å; Y293-H298 AromaticContact CG-ND1 3.7Å; Y293-H298 AromaticContact CZ-CE1 3.78Å; Y293-H298 AromaticContact CZ-ND1 3.88Å; Y293-H298 PolarHBondContact O-CE1 2.91Å; Y293-H298 PolarHBondContact O-ND1 3.47Å; C295-H298 WeakPolarHBondContact O-CA 3.43Å; C295-H298 PolarHBondContact O-N 3.45Å; D296-H298 PolarHBondContact O-N 2.99Å; H298-I327 WeakPolarHBondContact CB-O 3.5Å; H298-I327 PolarHBondContact O-N 2.69Å; H298-D332 IonicContact CD2-OD1 2.69Å; H298-D332 PolarHBondContact CD2-OD1 2.69Å; H298-D332 IonicContact CD2-OD2 2.84Å; H298-D332 PolarHBondContact CD2-OD2 2.61Å; H298-D332 VanDerWaalsContact CD2-OD2 3.24Å; H298-D332 IonicContact NE2-OD1 3.69Å |
| 299 | A | 83.9 | Confident | 83.8 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.5 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C295 D296 R297 V326 P335 | C295-A299 WeakPolarHBondContact CB-O 3.37Å; D296-A299 PolarHBondContact O-N 3.38Å; R297-A299 HydrophobicContact CB-CB 4.37Å; R297-A299 WeakPolarHBondContact O-CB 3.48Å; R297-A299 PolarHBondContact O-N 2.79Å; R297-A299 VanDerWaalsContact O-N 3.07Å; A299-V326 HydrophobicContact CB-CG1 4.21Å; A299-V326 HydrophobicContact CB-CG2 4.15Å; A299-P335 HydrophobicContact CB-CG 3.74Å |
| 300 | M | 85.5 | Confident | 83.2 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 89.1 | -177.6 | 179.9 | -175.1 | -76.9 | 0 | 0 | 108.2 | F287 I291 V292 K303 S324 V325 L353 | F287-M300 HydrophobicContact CZ-SD 4.49Å; I291-M300 HydrophobicContact CG2-CE 3.93Å; V292-M300 HydrophobicContact CG1-CB 4.17Å; V292-M300 HydrophobicContact CG2-CB 4.03Å; V292-M300 HydrophobicContact CG2-CE 3.55Å; V292-M300 HydrophobicContact CG2-SD 3.81Å; M300-K303 HydrophobicContact CG-CB 3.96Å; M300-K303 HydrophobicContact CG-CG 3.29Å; M300-K303 HydrophobicContact SD-CB 4.28Å; M300-K303 HydrophobicContact SD-CG 4.07Å; M300-S324 CarbonylContact O-C 3.44Å; M300-S324 WeakPolarHBondContact O-CA 3.45Å; M300-V325 HydrophobicContact CB-CB 4.48Å; M300-V325 PolarHBondContact N-O 3.29Å; M300-V325 PolarHBondContact O-N 3.13Å; M300-L353 HydrophobicContact CE-CD1 3.66Å; M300-L353 HydrophobicContact SD-CD1 3.47Å; M300-L353 WeakPolarHBondContact SD-CD1 3.27Å |
| 301 | L | 83.7 | Confident | 82.9 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 140.6 | -174.6 | -55.5 | -178.5 | 0 | 0 | 0 | 112.2 | K303 V326 M337 | L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 2.7Å; L301-V326 HydrophobicContact CD2-CG2 4.17Å; L301-M337 HydrophobicContact CD2-CG 4.29Å |
| 302 | N | 82.3 | Confident | 82.4 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.9 | 41.8 | 176.1 | -60.2 | -10.2 | 0 | 0 | 0 | 114.8 | I210 I323 S324 E346 N351 | I210-N302 WeakPolarHBondContact CD1-OD1 3.34Å; N302-I323 CarbonylContact C-O 3.51Å; N302-I323 VanDerWaalsContact CA-O 3.29Å; N302-I323 WeakPolarHBondContact CA-O 3.4Å; N302-I323 PolarHBondContact N-O 3.2Å; N302-S324 PolarHBondContact N-OG 3.11Å; N302-S324 PolarHBondContact OD1-OG 3.28Å; N302-E346 WeakPolarHBondContact CB-OE1 3.36Å; N302-E346 PolarHBondContact ND2-OE1 3.06Å; N302-N351 PolarHBondContact O-ND2 3.45Å |
| 303 | K | 86.5 | Confident | 81.6 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 26% | 0.261 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 145.1 | 175.5 | -67.5 | -53 | 178.8 | -176.7 | 0 | 111.9 | M300 L301 K322 I323 N351 L353 | M300-K303 HydrophobicContact CG-CB 3.96Å; M300-K303 HydrophobicContact CG-CG 3.29Å; M300-K303 HydrophobicContact SD-CB 4.28Å; M300-K303 HydrophobicContact SD-CG 4.07Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 2.7Å; K303-K322 WeakPolarHBondContact O-CA 3.34Å; K303-I323 PolarHBondContact N-O 3.07Å; K303-I323 PolarHBondContact O-N 3.19Å; K303-N351 WeakPolarHBondContact CD-OD1 3.21Å; K303-N351 WeakPolarHBondContact CE-OD1 3.36Å; K303-N351 PolarHBondContact NZ-OD1 2.72Å; K303-L353 HydrophobicContact CB-CD1 4.35Å |
| 304 | W | 87.9 | Confident | 81 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 141.2 | 171.7 | -70.8 | 97.9 | 0 | 0 | 0 | 110.8 | E211 R213 L321 K322 N351 L352 L353 M439 | E211-W304 HydrophobicContact CG-CH2 3.72Å; E211-W304 HydrophobicContact CG-CZ2 4.34Å; E211-W304 HydrophobicContact CG-CZ3 4.46Å; E211-W304 VanDerWaalsContact OE1-CH2 3.32Å; E211-W304 WeakPolarHBondContact OE1-CH2 3.39Å; E211-W304 VanDerWaalsContact OE1-CZ2 3.3Å; E211-W304 WeakPolarHBondContact OE1-CZ2 3.32Å; R213-W304 HydrophobicContact CB-CH2 4.37Å; R213-W304 HydrophobicContact CB-CZ3 4.3Å; R213-W304 VanDerWaalsContact CD-CH2 3.48Å; R213-W304 HydrophobicContact CG-CH2 3.65Å; R213-W304 HydrophobicContact CG-CZ3 4.05Å; R213-W304 VanDerWaalsContact NE-CH2 3.27Å; W304-L321 CarbonylContact C-O 3.56Å; W304-L321 WeakPolarHBondContact CA-O 3.24Å; W304-K322 HydrophobicContact CD2-CB 3.89Å; W304-K322 HydrophobicContact CD2-CG 4.11Å; W304-K322 HydrophobicContact CE3-CB 3.69Å; W304-K322 HydrophobicContact CE3-CG 4.43Å; W304-K322 HydrophobicContact CH2-CB 3.68Å; W304-K322 HydrophobicContact CH2-CD 4.18Å; W304-K322 HydrophobicContact CH2-CG 4.32Å; W304-K322 HydrophobicContact CZ2-CB 3.84Å; W304-K322 HydrophobicContact CZ2-CD 3.68Å; W304-K322 HydrophobicContact CZ2-CG 3.96Å; W304-K322 HydrophobicContact CZ3-CB 3.62Å; W304-N351 PolarHBondContact N-O 2.65Å; W304-L352 HydrophobicContact CB-CD1 3.7Å; W304-L353 PolarHBondContact O-N 3.47Å; W304-M439 HydrophobicContact CB-CE 4.49Å; W304-M439 HydrophobicContact CB-CG 3.94Å; W304-M439 HydrophobicContact CD2-CG 3.65Å; W304-M439 HydrophobicContact CD2-SD 4.02Å; W304-M439 HydrophobicContact CE3-CG 4.19Å; W304-M439 HydrophobicContact CG-CE 4.08Å; W304-M439 HydrophobicContact CG-CG 3.53Å; W304-M439 HydrophobicContact CG-SD 3.79Å; W304-M439 PolarHBondContact NE1-SD 2.64Å |
| 305 | L | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137.7 | 171.7 | -47.5 | -176.2 | 0 | 0 | 0 | 109.8 | F268 F285 F287 Y320 L321 I323 L353 | F268-L305 HydrophobicContact CB-CD1 4.11Å; F268-L305 HydrophobicContact CD1-CD1 4.28Å; F268-L305 HydrophobicContact CD2-CD1 3.43Å; F268-L305 VanDerWaalsContact CD2-CD1 3.43Å; F268-L305 HydrophobicContact CE2-CD1 3.87Å; F268-L305 HydrophobicContact CG-CD1 3.67Å; F268-L305 HydrophobicContact CZ-CD1 4.44Å; F285-L305 HydrophobicContact CB-CB 4.1Å; F285-L305 HydrophobicContact CB-CD1 4.12Å; F285-L305 HydrophobicContact CD1-CB 3.83Å; F285-L305 HydrophobicContact CD1-CD1 3.63Å; F285-L305 HydrophobicContact CD1-CD2 3.8Å; F285-L305 HydrophobicContact CD1-CG 3.94Å; F285-L305 HydrophobicContact CD2-CB 4.21Å; F285-L305 HydrophobicContact CE1-CB 4.28Å; F285-L305 HydrophobicContact CE1-CD1 4.39Å; F285-L305 HydrophobicContact CE1-CD2 3.68Å; F285-L305 HydrophobicContact CE1-CG 4.32Å; F285-L305 HydrophobicContact CG-CB 3.8Å; F285-L305 HydrophobicContact CG-CD1 4.12Å; F285-L305 HydrophobicContact CG-CG 4.39Å; F285-L305 HydrophobicContact CZ-CD2 4.39Å; F287-L305 HydrophobicContact CE1-CD2 4.37Å; L305-Y320 WeakPolarHBondContact O-CA 3.4Å; L305-L321 HydrophobicContact CB-CB 4.37Å; L305-L321 HydrophobicContact CD1-CD2 4.3Å; L305-L321 PolarHBondContact N-O 3.49Å; L305-L321 PolarHBondContact O-N 3.07Å; L305-I323 HydrophobicContact CD1-CD1 3.67Å; L305-I323 HydrophobicContact CD1-CG1 4.23Å; L305-I323 HydrophobicContact CD1-CG2 4.11Å; L305-I323 HydrophobicContact CD2-CD1 3.74Å; L305-I323 HydrophobicContact CD2-CG1 4.04Å; L305-I323 HydrophobicContact CG-CD1 3.92Å; L305-I323 HydrophobicContact CG-CG1 4.07Å; L305-I323 HydrophobicContact CG-CG2 4.41Å; L305-L353 HydrophobicContact CD2-CB 4.13Å; L305-L353 HydrophobicContact CD2-CD1 3.91Å; L305-L353 HydrophobicContact CD2-CG 4.49Å |
| 306 | L | 88.3 | Confident | 80 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 98.9 | 173.1 | 178 | 67.3 | 0 | 0 | 0 | 111 | F285 A317 Y320 L352 L353 R354 V358 L360 | F285-L306 WeakPolarHBondContact CD2-O 3.42Å; L306-A317 HydrophobicContact CD1-CB 3.63Å; L306-Y320 HydrophobicContact CB-CE1 4.42Å; L306-Y320 HydrophobicContact CD1-CD1 4.25Å; L306-Y320 HydrophobicContact CD1-CE1 3.48Å; L306-Y320 VanDerWaalsContact CD1-CE1 3.48Å; L306-L352 HydrophobicContact CB-CD1 4.16Å; L306-L353 PolarHBondContact N-O 3.02Å; L306-R354 HydrophobicContact CB-CG 4.47Å; L306-R354 HydrophobicContact CD2-CB 4.43Å; L306-R354 HydrophobicContact CD2-CG 4.03Å; L306-V358 HydrophobicContact CD2-CG1 4.08Å; L306-L360 HydrophobicContact CD1-CD2 3.81Å; L306-L360 HydrophobicContact CD2-CD1 4.45Å; L306-L360 HydrophobicContact CD2-CD2 3.62Å; L306-L360 HydrophobicContact CD2-CG 3.88Å; L306-L360 HydrophobicContact CG-CD2 4.39Å |
| 307 | L | 88.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 141.6 | 178.6 | -57.8 | 170.6 | 0 | 0 | 0 | 111 | L215 V270 F285 K318 G319 L321 | L215-L307 HydrophobicContact CD2-CD1 3.6Å; V270-L307 HydrophobicContact CB-CD1 4.25Å; V270-L307 HydrophobicContact CG2-CD1 3.68Å; V270-L307 HydrophobicContact CG2-CD2 4.32Å; F285-L307 HydrophobicContact CB-CD2 4.08Å; L307-K318 HydrophobicContact CB-CB 4.15Å; L307-K318 PolarHBondContact O-N 2.83Å; L307-G319 WeakPolarHBondContact CB-O 3.2Å; L307-G319 PolarHBondContact N-O 2.68Å; L307-L321 HydrophobicContact CD1-CB 4.5Å; L307-L321 HydrophobicContact CD2-CB 4.35Å; L307-L321 HydrophobicContact CG-CB 4.47Å |
| 308 | C | 84.4 | Confident | 80.6 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 9% | 0.088 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 167 | 172.7 | 66 | 0 | 0 | 0 | 0 | 110.9 | S284 P310 P355 V358 | S284-C308 PolarHBondContact N-O 2.71Å; S284-C308 PolarHBondContact O-N 2.87Å; S284-C308 VanDerWaalsContact O-O 3.12Å; C308-P310 WeakPolarHBondContact O-CD 3.46Å; C308-P355 HydrophobicContact CB-CG 4.49Å; C308-V358 HydrophobicContact CB-CG2 4.43Å |
| 309 | N | 83.2 | Confident | 80.6 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | trans | -76.3 | 121.9 | 167.2 | -176.6 | -10 | 0 | 0 | 0 | 108.6 | E311 D312 S315 | N309-E311 VanDerWaalsContact C-N 3.27Å; N309-E311 PolarHBondContact O-N 2.95Å; N309-E311 PolarHBondContact OD1-N 3.2Å; N309-D312 CarbonylContact O-C 2.74Å; N309-D312 PolarHBondContact O-N 3.34Å; N309-S315 WeakPolarHBondContact CB-OG 3.37Å | ||
| 310 | P | 74.7 | Confident | 80.8 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 47% | 0.474 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -68.7 | -22.9 | 179 | 28.4 | -35.4 | 0 | 0 | 0 | 113.6 | L281 C308 | L281-P310 HydrophobicContact CD2-CG 4.32Å; C308-P310 WeakPolarHBondContact O-CD 3.46Å |
| 311 | E | 76 | Confident | 81.1 | Confident | 178 Ų | 178 | 41.3 Ų | 41.3 | 83% | 0.832 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -84 | -25.4 | 176.2 | -60 | -171.3 | 166.5 | 0 | 0 | 112.4 | N309 | N309-E311 VanDerWaalsContact C-N 3.27Å; N309-E311 PolarHBondContact O-N 2.95Å; N309-E311 PolarHBondContact OD1-N 3.2Å |
| 312 | D | 72.7 | Confident | 81.5 | Confident | 71 Ų | 71 | 38.6 Ų | 38.6 | 38% | 0.38 | 21% | 0.214 | S | C | . | . | trans | -139.6 | 86 | 175.5 | -177.8 | 6.8 | 0 | 0 | 0 | 111.5 | N309 M314 S315 | N309-D312 CarbonylContact O-C 2.74Å; N309-D312 PolarHBondContact O-N 3.34Å; D312-M314 PolarHBondContact O-N 3.45Å; D312-M314 WeakPolarHBondContact OD1-CA 3.46Å; D312-M314 WeakPolarHBondContact OD1-CB 3.39Å; D312-M314 PolarHBondContact OD1-N 2.82Å; D312-S315 WeakPolarHBondContact O-CB 3.42Å; D312-S315 PolarHBondContact O-N 2.87Å; D312-S315 VanDerWaalsContact O-N 3.12Å; D312-S315 PolarHBondContact O-OG 2.95Å; D312-S315 PolarHBondContact OD1-N 3.37Å; D312-S315 VanDerWaalsContact OD1-N 3.16Å; D312-S315 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 313 | P | 66 | Low | 81.9 | Confident | 67 Ų | 67 | 37.7 Ų | 37.7 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -63.2 | -18.7 | 174.8 | -22.6 | 34.4 | 0 | 0 | 0 | 113.8 | S315 V358 | P313-S315 VanDerWaalsContact C-N 3.32Å; P313-V358 HydrophobicContact CB-CG2 4.05Å |
| 314 | M | 69.7 | Low | 82.1 | Confident | 168 Ų | 168 | 35 Ų | 35 | 83% | 0.828 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -80.9 | -13.8 | 177.8 | -58.4 | -58.6 | -59.3 | 0 | 0 | 112.3 | D312 G316 | D312-M314 PolarHBondContact O-N 3.45Å; D312-M314 WeakPolarHBondContact OD1-CA 3.46Å; D312-M314 WeakPolarHBondContact OD1-CB 3.39Å; D312-M314 PolarHBondContact OD1-N 2.82Å; M314-G316 PolarHBondContact O-N 2.92Å; M314-G316 VanDerWaalsContact O-N 3.12Å |
| 315 | S | 71.2 | Confident | 82.2 | Confident | 42 Ų | 42 | 35 Ų | 35 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -66.3 | -3.7 | 171.3 | 71.7 | 0 | 0 | 0 | 0 | 114.5 | N309 D312 P313 K318 | N309-S315 WeakPolarHBondContact CB-OG 3.37Å; D312-S315 WeakPolarHBondContact O-CB 3.42Å; D312-S315 PolarHBondContact O-N 2.87Å; D312-S315 VanDerWaalsContact O-N 3.12Å; D312-S315 PolarHBondContact O-OG 2.95Å; D312-S315 PolarHBondContact OD1-N 3.37Å; D312-S315 VanDerWaalsContact OD1-N 3.16Å; D312-S315 WeakPolarHBondContact OD2-CB 3.48Å; P313-S315 VanDerWaalsContact C-N 3.32Å; S315-K318 VanDerWaalsContact OG-CE 3.25Å; S315-K318 WeakPolarHBondContact OG-CE 3.38Å |
| 316 | G | 71.5 | Confident | 82.1 | Confident | 27 Ų | 27 | 35 Ų | 35 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | trans | 79.9 | -161.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M314 | M314-G316 PolarHBondContact O-N 2.92Å; M314-G316 VanDerWaalsContact O-N 3.12Å | ||
| 317 | A | 79.3 | Confident | 82 | Confident | 14 Ų | 14 | 35 Ų | 35 | 12% | 0.116 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 139 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L306 L360 P437 | L306-A317 HydrophobicContact CD1-CB 3.63Å; A317-L360 HydrophobicContact CB-CD2 4.37Å; A317-P437 HydrophobicContact CB-CG 3.43Å; A317-P437 VanDerWaalsContact CB-CG 3.43Å |
| 318 | K | 83.8 | Confident | 81.5 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 10% | 0.104 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 1.8 | -179 | -58.9 | -61.2 | 178.1 | -169.9 | 0 | 114 | Q216 I282 L307 S315 | Q216-K318 PolarHBondContact N-O 2.87Å; I282-K318 WeakPolarHBondContact O-CB 3.37Å; I282-K318 WeakPolarHBondContact O-CG 3.15Å; L307-K318 HydrophobicContact CB-CB 4.15Å; L307-K318 PolarHBondContact O-N 2.83Å; S315-K318 VanDerWaalsContact OG-CE 3.25Å; S315-K318 WeakPolarHBondContact OG-CE 3.38Å |
| 319 | G | 84.6 | Confident | 81.1 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.4 | -176.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q214 L307 | Q214-G319 WeakPolarHBondContact O-CA 2.87Å; L307-G319 WeakPolarHBondContact CB-O 3.2Å; L307-G319 PolarHBondContact N-O 2.68Å |
| 320 | Y | 88.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.9 | -174.8 | -66 | -75.5 | 0 | 0 | 0 | 111.5 | A212 R213 Q214 L305 L306 L352 P437 M439 | A212-Y320 CarbonylContact C-O 3.57Å; A212-Y320 WeakPolarHBondContact CA-O 3.48Å; A212-Y320 WeakPolarHBondContact CB-O 3.28Å; R213-Y320 PolarHBondContact N-O 3.16Å; R213-Y320 PolarHBondContact O-N 2.84Å; Q214-Y320 HydrophobicContact CB-CD2 4.37Å; L305-Y320 WeakPolarHBondContact O-CA 3.4Å; L306-Y320 HydrophobicContact CB-CE1 4.42Å; L306-Y320 HydrophobicContact CD1-CD1 4.25Å; L306-Y320 HydrophobicContact CD1-CE1 3.48Å; L306-Y320 VanDerWaalsContact CD1-CE1 3.48Å; Y320-L352 HydrophobicContact CD1-CD1 3.64Å; Y320-L352 HydrophobicContact CE1-CD1 3.65Å; Y320-L352 HydrophobicContact CE1-CD2 3.83Å; Y320-L352 HydrophobicContact CE1-CG 4.42Å; Y320-P437 HydrophobicContact CE2-CB 4.22Å; Y320-P437 HydrophobicContact CE2-CG 4.26Å; Y320-P437 VanDerWaalsContact OH-C 3.25Å; Y320-P437 PolarHBondContact OH-O 3.43Å; Y320-M439 HydrophobicContact CD1-CB 3.83Å; Y320-M439 HydrophobicContact CD1-CG 4.12Å; Y320-M439 HydrophobicContact CD2-CB 4.35Å; Y320-M439 HydrophobicContact CE1-CB 3.77Å; Y320-M439 HydrophobicContact CE2-CB 4.31Å; Y320-M439 HydrophobicContact CG-CB 4.12Å; Y320-M439 HydrophobicContact CG-CG 4.28Å |
| 321 | L | 91.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.9 | 175 | -172.2 | 70.7 | 0 | 0 | 0 | 110.4 | V209 A212 W246 F268 V270 W304 L305 L307 I323 | V209-L321 HydrophobicContact CG1-CD1 3.83Å; V209-L321 HydrophobicContact CG1-CG 4.49Å; A212-L321 HydrophobicContact CB-CD1 3.93Å; W246-L321 HydrophobicContact CH2-CD1 4.43Å; W246-L321 HydrophobicContact CZ3-CD1 3.73Å; F268-L321 HydrophobicContact CB-CD2 3.77Å; F268-L321 HydrophobicContact CD1-CD2 3.62Å; F268-L321 HydrophobicContact CG-CD2 3.96Å; V270-L321 HydrophobicContact CG2-CD1 4.44Å; W304-L321 CarbonylContact C-O 3.56Å; W304-L321 WeakPolarHBondContact CA-O 3.24Å; L305-L321 HydrophobicContact CB-CB 4.37Å; L305-L321 HydrophobicContact CD1-CD2 4.3Å; L305-L321 PolarHBondContact N-O 3.49Å; L305-L321 PolarHBondContact O-N 3.07Å; L307-L321 HydrophobicContact CD1-CB 4.5Å; L307-L321 HydrophobicContact CD2-CB 4.35Å; L307-L321 HydrophobicContact CG-CB 4.47Å; L321-I323 HydrophobicContact CD2-CG2 3.85Å; L321-I323 HydrophobicContact CG-CG2 3.84Å |
| 322 | K | 91.1 | Very high | 79.3 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.8 | 175.6 | -163.4 | -176.4 | -168.9 | 172.7 | 0 | 109.8 | I210 E211 K303 W304 E346 | I210-K322 HydrophobicContact CB-CB 4.34Å; I210-K322 HydrophobicContact CB-CD 4.23Å; I210-K322 HydrophobicContact CB-CG 4.36Å; I210-K322 HydrophobicContact CD1-CD 4.35Å; I210-K322 HydrophobicContact CD1-CG 4.33Å; I210-K322 HydrophobicContact CG2-CD 4.18Å; I210-K322 PolarHBondContact N-O 2.85Å; E211-K322 HydrophobicContact CG-CB 3.75Å; E211-K322 HydrophobicContact CG-CD 3.73Å; E211-K322 HydrophobicContact CG-CG 4.44Å; E211-K322 WeakPolarHBondContact O-CB 3.38Å; E211-K322 PolarHBondContact O-N 3.14Å; E211-K322 IonicContact OE1-NZ 3.28Å; K303-K322 WeakPolarHBondContact O-CA 3.34Å; W304-K322 HydrophobicContact CD2-CB 3.89Å; W304-K322 HydrophobicContact CD2-CG 4.11Å; W304-K322 HydrophobicContact CE3-CB 3.69Å; W304-K322 HydrophobicContact CE3-CG 4.43Å; W304-K322 HydrophobicContact CH2-CB 3.68Å; W304-K322 HydrophobicContact CH2-CD 4.18Å; W304-K322 HydrophobicContact CH2-CG 4.32Å; W304-K322 HydrophobicContact CZ2-CB 3.84Å; W304-K322 HydrophobicContact CZ2-CD 3.68Å; W304-K322 HydrophobicContact CZ2-CG 3.96Å; W304-K322 HydrophobicContact CZ3-CB 3.62Å; K322-E346 WeakPolarHBondContact CE-OE2 3.33Å; K322-E346 IonicContact NZ-OE2 3.6Å; K322-E346 PolarHBondContact NZ-OE2 2.79Å |
| 323 | I | 91.5 | Very high | 78.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 167.3 | -178.7 | 70.2 | 166.6 | 0 | 0 | 0 | 111.9 | K208 V209 F268 F287 N302 K303 L305 L321 V325 | K208-I323 CarbonylContact O-C 3.6Å; K208-I323 WeakPolarHBondContact O-CA 3.25Å; K208-I323 WeakPolarHBondContact O-CB 3.45Å; V209-I323 HydrophobicContact CG2-CG2 4.45Å; F268-I323 HydrophobicContact CD1-CG2 4.1Å; F268-I323 HydrophobicContact CE1-CB 4.4Å; F268-I323 HydrophobicContact CE1-CD1 4.04Å; F268-I323 HydrophobicContact CE1-CG2 3.71Å; F268-I323 HydrophobicContact CE2-CD1 3.68Å; F268-I323 HydrophobicContact CZ-CD1 3.39Å; F268-I323 HydrophobicContact CZ-CG2 4.21Å; F287-I323 HydrophobicContact CE1-CD1 4.36Å; F287-I323 HydrophobicContact CZ-CD1 4.47Å; N302-I323 CarbonylContact C-O 3.51Å; N302-I323 VanDerWaalsContact CA-O 3.29Å; N302-I323 WeakPolarHBondContact CA-O 3.4Å; N302-I323 PolarHBondContact N-O 3.2Å; K303-I323 PolarHBondContact N-O 3.07Å; K303-I323 PolarHBondContact O-N 3.19Å; L305-I323 HydrophobicContact CD1-CD1 3.67Å; L305-I323 HydrophobicContact CD1-CG1 4.23Å; L305-I323 HydrophobicContact CD1-CG2 4.11Å; L305-I323 HydrophobicContact CD2-CD1 3.74Å; L305-I323 HydrophobicContact CD2-CG1 4.04Å; L305-I323 HydrophobicContact CG-CD1 3.92Å; L305-I323 HydrophobicContact CG-CG1 4.07Å; L305-I323 HydrophobicContact CG-CG2 4.41Å; L321-I323 HydrophobicContact CD2-CG2 3.85Å; L321-I323 HydrophobicContact CG-CG2 3.84Å; I323-V325 HydrophobicContact CD1-CG2 3.47Å; I323-V325 VanDerWaalsContact CD1-CG2 3.47Å; I323-V325 HydrophobicContact CG1-CG2 4.32Å |
| 324 | S | 90.6 | Very high | 78.7 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.5 | 155.1 | -61.9 | 0 | 0 | 0 | 0 | 109.2 | V207 K208 M300 N302 M337 | V207-S324 CarbonylContact C-O 3.58Å; V207-S324 WeakPolarHBondContact CA-O 3.08Å; K208-S324 PolarHBondContact N-O 2.88Å; K208-S324 PolarHBondContact O-N 3.22Å; M300-S324 CarbonylContact O-C 3.44Å; M300-S324 WeakPolarHBondContact O-CA 3.45Å; N302-S324 PolarHBondContact N-OG 3.11Å; N302-S324 PolarHBondContact OD1-OG 3.28Å; S324-M337 VanDerWaalsContact CB-CE 3.4Å |
| 325 | V | 89.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139 | 174.6 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | I205 R206 V207 L266 F268 F287 V292 M300 I323 | I205-V325 HydrophobicContact CG2-CG1 3.74Å; R206-V325 CarbonylContact O-C 3.51Å; R206-V325 VanDerWaalsContact O-CA 3.23Å; R206-V325 WeakPolarHBondContact O-CA 3.38Å; V207-V325 HydrophobicContact CG2-CG1 4.21Å; V207-V325 HydrophobicContact CG2-CG2 4.43Å; L266-V325 HydrophobicContact CD2-CG1 3.99Å; L266-V325 HydrophobicContact CD2-CG2 3.96Å; F268-V325 HydrophobicContact CZ-CG2 4.28Å; F287-V325 HydrophobicContact CZ-CG2 4.25Å; V292-V325 HydrophobicContact CG1-CB 4.17Å; V292-V325 HydrophobicContact CG1-CG1 4.01Å; V292-V325 HydrophobicContact CG2-CB 3.95Å; V292-V325 HydrophobicContact CG2-CG1 4.03Å; M300-V325 HydrophobicContact CB-CB 4.48Å; M300-V325 PolarHBondContact N-O 3.29Å; M300-V325 PolarHBondContact O-N 3.13Å; I323-V325 HydrophobicContact CD1-CG2 3.47Å; I323-V325 VanDerWaalsContact CD1-CG2 3.47Å; I323-V325 HydrophobicContact CG1-CG2 4.32Å |
| 326 | V | 87.1 | Confident | 77.8 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 124.6 | 170.7 | -173.8 | 0 | 0 | 0 | 0 | 106.8 | I205 R206 A299 L301 L328 P335 M337 | I205-V326 CarbonylContact C-O 3.52Å; I205-V326 WeakPolarHBondContact CA-O 3.44Å; R206-V326 HydrophobicContact CB-CB 4.24Å; R206-V326 PolarHBondContact N-O 3.46Å; R206-V326 PolarHBondContact O-N 2.86Å; A299-V326 HydrophobicContact CB-CG1 4.21Å; A299-V326 HydrophobicContact CB-CG2 4.15Å; L301-V326 HydrophobicContact CD2-CG2 4.17Å; V326-L328 HydrophobicContact CG1-CD2 3.7Å; V326-L328 HydrophobicContact CG1-CG 3.85Å; V326-P335 HydrophobicContact CG1-CG 3.95Å; V326-P335 HydrophobicContact CG2-CG 3.99Å; V326-M337 HydrophobicContact CG2-CE 4.34Å; V326-M337 HydrophobicContact CG2-SD 4.38Å |
| 327 | I | 85.8 | Confident | 77 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 132.7 | 164.6 | -57.5 | 174.3 | 0 | 0 | 0 | 106 | F203 Q204 I205 M261 L262 L289 V292 Y293 H298 | F203-I327 HydrophobicContact CB-CG2 4.3Å; F203-I327 HydrophobicContact CD1-CG2 3.89Å; F203-I327 HydrophobicContact CG-CG2 4.47Å; Q204-I327 CarbonylContact O-C 3.55Å; Q204-I327 WeakPolarHBondContact O-CA 3.19Å; I205-I327 HydrophobicContact CG1-CG1 4.22Å; I205-I327 HydrophobicContact CG2-CG1 4.34Å; M261-I327 HydrophobicContact CE-CD1 4.35Å; M261-I327 HydrophobicContact CE-CG2 3.96Å; L262-I327 HydrophobicContact CD2-CD1 4.26Å; L289-I327 HydrophobicContact CB-CD1 4.03Å; L289-I327 HydrophobicContact CD2-CD1 4.05Å; L289-I327 VanDerWaalsContact O-CD1 3.24Å; L289-I327 WeakPolarHBondContact O-CD1 3.25Å; V292-I327 HydrophobicContact CB-CD1 3.79Å; V292-I327 HydrophobicContact CB-CG1 4.15Å; V292-I327 HydrophobicContact CG1-CB 4.46Å; V292-I327 HydrophobicContact CG1-CD1 3.97Å; V292-I327 HydrophobicContact CG1-CG1 3.77Å; Y293-I327 HydrophobicContact CD2-CB 4.15Å; Y293-I327 HydrophobicContact CD2-CG2 3.77Å; Y293-I327 HydrophobicContact CE2-CG2 4.24Å; H298-I327 WeakPolarHBondContact CB-O 3.5Å; H298-I327 PolarHBondContact O-N 2.69Å |
| 328 | L | 79.2 | Confident | 75.8 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.7 | 173.7 | -63.2 | 172.4 | 0 | 0 | 0 | 107.6 | F203 Q204 V326 D332 A334 | F203-L328 WeakPolarHBondContact CA-O 3.33Å; Q204-L328 PolarHBondContact N-O 2.97Å; Q204-L328 PolarHBondContact O-N 3.17Å; V326-L328 HydrophobicContact CG1-CD2 3.7Å; V326-L328 HydrophobicContact CG1-CG 3.85Å; L328-D332 HydrophobicContact CB-CB 4.31Å; L328-D332 HydrophobicContact CD2-CB 3.71Å; L328-A334 HydrophobicContact CD1-CB 3.97Å |
| 329 | G | 75.3 | Confident | 74.3 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | trans | -83.6 | -177.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D202 G331 D332 | D202-G329 WeakPolarHBondContact O-CA 3.44Å; G329-G331 PolarHBondContact O-N 2.93Å; G329-D332 WeakPolarHBondContact CA-OD2 3.44Å; G329-D332 PolarHBondContact N-OD2 3.05Å; G329-D332 PolarHBondContact O-N 3.32Å | ||
| 330 | P | 65 | Low | 72.4 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 117.8 | 179.6 | -8 | 24.1 | 0 | 0 | 0 | 109.9 | Q201 D202 D1553 | Q201-P330 HydrophobicContact CB-CG 4.11Å; D202-P330 WeakPolarHBondContact O-CD 3.43Å; P330-D1553 VanDerWaalsContact CG-O 3.31Å; P330-D1553 WeakPolarHBondContact CG-O 3.49Å |
| 331 | G | 62.1 | Low | 70.5 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 87% | 0.866 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | 0.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | G329 | G329-G331 PolarHBondContact O-N 2.93Š|
| 332 | D | 69.6 | Low | 68.5 | Low | 56 Ų | 56 | 56 Ų | 56 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 128.6 | 179.5 | -73.9 | -32.8 | 0 | 0 | 0 | 113.7 | H298 L328 G329 A334 | H298-D332 IonicContact CD2-OD1 2.69Å; H298-D332 PolarHBondContact CD2-OD1 2.69Å; H298-D332 IonicContact CD2-OD2 2.84Å; H298-D332 PolarHBondContact CD2-OD2 2.61Å; H298-D332 VanDerWaalsContact CD2-OD2 3.24Å; H298-D332 IonicContact NE2-OD1 3.69Å; L328-D332 HydrophobicContact CB-CB 4.31Å; L328-D332 HydrophobicContact CD2-CB 3.71Å; G329-D332 WeakPolarHBondContact CA-OD2 3.44Å; G329-D332 PolarHBondContact N-OD2 3.05Å; G329-D332 PolarHBondContact O-N 3.32Å; D332-A334 PolarHBondContact O-N 3.17Å |
| 333 | E | 61 | Low | 66.7 | Low | 167 Ų | 167 | 59.3 Ų | 59.3 | 78% | 0.78 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 123.2 | 171.3 | -77.4 | -168 | 168.8 | 0 | 0 | 112.2 | P335 | E333-P335 WeakPolarHBondContact O-CD 3.41Š|
| 334 | A | 63.8 | Low | 65.1 | Low | 51 Ų | 51 | 64.2 Ų | 64.2 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -65 | 121.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L328 D332 | L328-A334 HydrophobicContact CD1-CB 3.97Å; D332-A334 PolarHBondContact O-N 3.17Å |
| 335 | P | 63.1 | Low | 63.6 | Low | 20 Ų | 20 | 71.5 Ų | 71.5 | 13% | 0.13 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 148.8 | 176.1 | 29.1 | -33.6 | 0 | 0 | 0 | 112.9 | A299 V326 E333 M337 | A299-P335 HydrophobicContact CB-CG 3.74Å; V326-P335 HydrophobicContact CG1-CG 3.95Å; V326-P335 HydrophobicContact CG2-CG 3.99Å; E333-P335 WeakPolarHBondContact O-CD 3.41Å; P335-M337 PolarHBondContact O-N 2.84Å |
| 336 | I | 58.7 | Low | 62.2 | Low | 141 Ų | 141 | 72.3 Ų | 72.3 | 72% | 0.723 | 40% | 0.402 | S | S | * | . | trans | -76.6 | 111.9 | -179.6 | -59.9 | 166.8 | 0 | 0 | 0 | 110.3 | K338 | I336-K338 HydrophobicContact CG2-CB 4.25Å; I336-K338 HydrophobicContact CG2-CD 4.16Å; I336-K338 HydrophobicContact CG2-CG 3.84Å; I336-K338 PolarHBondContact O-N 3.02Å | ||
| 337 | M | 55.3 | Low | 61.2 | Low | 47 Ų | 47 | 73 Ų | 73 | 23% | 0.232 | 41% | 0.405 | C | S | . | . | trans | -80.5 | 53.7 | -179 | -54.3 | 177.9 | 81.2 | 0 | 0 | 113.2 | K208 L301 S324 V326 P335 | K208-M337 HydrophobicContact CB-CE 3.53Å; K208-M337 HydrophobicContact CD-CE 4.4Å; L301-M337 HydrophobicContact CD2-CG 4.29Å; S324-M337 VanDerWaalsContact CB-CE 3.4Å; V326-M337 HydrophobicContact CG2-CE 4.34Å; V326-M337 HydrophobicContact CG2-SD 4.38Å; P335-M337 PolarHBondContact O-N 2.84Å | ||
| 338 | K | 54.7 | Low | 60.4 | Low | 175 Ų | 175 | 75.9 Ų | 75.9 | 76% | 0.761 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 143.8 | 172.6 | -83.5 | -176.6 | 176.5 | -177.9 | 0 | 111.2 | I336 | I336-K338 HydrophobicContact CG2-CB 4.25Å; I336-K338 HydrophobicContact CG2-CD 4.16Å; I336-K338 HydrophobicContact CG2-CG 3.84Å; I336-K338 PolarHBondContact O-N 3.02Å |
| 339 | V | 51.1 | Low | 59.9 | Low | 80 Ų | 80 | 78.6 Ų | 78.6 | 49% | 0.485 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 129 | 170.1 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 340 | G | 45.3 | Very low | 59.5 | Low | 41 Ų | 41 | 81.6 Ų | 81.6 | 42% | 0.423 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 146.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S342 | G340-S342 PolarHBondContact O-N 2.94Š|
| 341 | E | 48 | Very low | 60.1 | Low | 185 Ų | 185 | 80 Ų | 80 | 86% | 0.864 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -73.3 | 25.1 | -173.3 | -61.6 | -169.3 | 138.8 | 0 | 0 | 115.4 | K813 | E341-K813 IonicContact OE1-NZ 3.47Š|
| 342 | S | 50.6 | Low | 61.1 | Low | 40 Ų | 40 | 77 Ų | 77 | 28% | 0.28 | 42% | 0.416 | S | S | . | . | trans | -148.3 | 95.1 | 174.6 | 70.3 | 0 | 0 | 0 | 0 | 114.2 | G340 E344 K345 | G340-S342 PolarHBondContact O-N 2.94Å; S342-E344 PolarHBondContact O-N 3.31Å; S342-K345 PolarHBondContact O-N 2.76Å | ||
| 343 | D | 53.6 | Low | 61.7 | Low | 81 Ų | 81 | 76.5 Ų | 76.5 | 43% | 0.433 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -42.9 | -38.9 | 164.9 | -60.6 | 1.3 | 0 | 0 | 0 | 112.2 | K345 E346 D347 K442 | D343-K345 PolarHBondContact O-N 3.31Å; D343-E346 PolarHBondContact O-N 3.34Å; D343-D347 PolarHBondContact O-N 2.75Å; D343-D347 VanDerWaalsContact O-N 3.11Å; D343-K442 IonicContact OD2-NZ 2.79Å; D343-K442 PolarHBondContact OD2-NZ 2.72Å |
| 344 | E | 57.1 | Low | 62.6 | Low | 102 Ų | 102 | 75 Ų | 75 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -56 | -22.5 | -178.4 | -64.4 | -175.6 | 145.3 | 0 | 0 | 113.7 | S342 K444 K511 | S342-E344 PolarHBondContact O-N 3.31Å; E344-K444 IonicContact OE1-NZ 3.77Å; E344-K444 PolarHBondContact OE1-NZ 3.36Å; E344-K511 WeakPolarHBondContact OE2-CE 3.36Å; E344-K511 IonicContact OE2-NZ 3.3Å; E344-K511 PolarHBondContact OE2-NZ 2.87Å |
| 345 | K | 60.1 | Low | 63 | Low | 155 Ų | 155 | 73.6 Ų | 73.6 | 67% | 0.674 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -93.1 | -17.6 | 175.2 | -71.1 | -174.7 | -179.6 | 179.5 | 0 | 114 | S342 D343 | S342-K345 PolarHBondContact O-N 2.76Å; D343-K345 PolarHBondContact O-N 3.31Å |
| 346 | E | 59.9 | Low | 63.2 | Low | 18 Ų | 18 | 77.8 Ų | 77.8 | 8% | 0.084 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -31.6 | -176.2 | -57 | -170.4 | 148.4 | 0 | 0 | 111.3 | N302 K322 D343 I348 N351 M439 | N302-E346 WeakPolarHBondContact CB-OE1 3.36Å; N302-E346 PolarHBondContact ND2-OE1 3.06Å; K322-E346 WeakPolarHBondContact CE-OE2 3.33Å; K322-E346 IonicContact NZ-OE2 3.6Å; K322-E346 PolarHBondContact NZ-OE2 2.79Å; D343-E346 PolarHBondContact O-N 3.34Å; E346-I348 VanDerWaalsContact C-N 3.27Å; E346-I348 PolarHBondContact O-N 2.91Å; E346-I348 VanDerWaalsContact O-N 3.17Å; E346-N351 PolarHBondContact O-ND2 3.23Å; E346-M439 WeakPolarHBondContact O-CE 3.35Å |
| 347 | D | 65.1 | Low | 63.6 | Low | 15 Ų | 15 | 74.8 Ų | 74.8 | 8% | 0.08 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -84 | 52.6 | 175.1 | -83.1 | 28 | 0 | 0 | 0 | 112.2 | R213 D343 A409 C440 E441 | R213-D347 IonicContact CZ-OD1 3.04Å; R213-D347 VanDerWaalsContact NH1-CG 3.32Å; R213-D347 IonicContact NH1-OD1 3.24Å; R213-D347 PolarHBondContact NH1-OD1 3.33Å; R213-D347 IonicContact NH1-OD2 2.74Å; R213-D347 PolarHBondContact NH1-OD2 3.4Å; R213-D347 VanDerWaalsContact NH1-OD2 3.13Å; R213-D347 IonicContact NH2-OD1 3.09Å; R213-D347 PolarHBondContact NH2-OD1 2.89Å; D343-D347 PolarHBondContact O-N 2.75Å; D343-D347 VanDerWaalsContact O-N 3.11Å; D347-A409 CarbonylContact O-C 3.35Å; D347-A409 WeakPolarHBondContact O-CA 3.49Å; D347-C440 HydrophobicContact CB-CB 4.37Å; D347-E441 PolarHBondContact OD2-N 3.41Å; D347-E441 VanDerWaalsContact OD2-N 3.09Å |
| 348 | I | 69.5 | Low | 64.3 | Low | 62 Ų | 62 | 73.2 Ų | 73.2 | 32% | 0.318 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -123.9 | 144.4 | 172.3 | 66.6 | 179.1 | 0 | 0 | 0 | 111.3 | E346 G350 N351 M439 | E346-I348 VanDerWaalsContact C-N 3.27Å; E346-I348 PolarHBondContact O-N 2.91Å; E346-I348 VanDerWaalsContact O-N 3.17Å; I348-G350 PolarHBondContact O-N 2.93Å; I348-G350 VanDerWaalsContact O-N 3.15Å; I348-N351 HydrophobicContact CG1-CB 3.91Å; I348-N351 VanDerWaalsContact O-CB 3.28Å; I348-N351 WeakPolarHBondContact O-CB 3.26Å; I348-N351 PolarHBondContact O-N 3.02Å; I348-M439 VanDerWaalsContact O-CE 3.23Å; I348-M439 WeakPolarHBondContact O-CE 3.15Å |
| 349 | E | 69.4 | Low | 64.9 | Low | 72 Ų | 72 | 73.2 Ų | 73.2 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -60.5 | -29.2 | -176.5 | -64.2 | -169.8 | 161.7 | 0 | 0 | 113.1 | N351 L352 A409 Q435 | E349-N351 PolarHBondContact O-N 2.91Å; E349-N351 VanDerWaalsContact O-N 3.13Å; E349-L352 WeakPolarHBondContact O-CB 3.29Å; E349-L352 PolarHBondContact O-N 3.01Å; E349-A409 HydrophobicContact CG-CB 3.97Å; E349-Q435 WeakPolarHBondContact OE1-CB 3.41Å; E349-Q435 PolarHBondContact OE1-N 2.88Å; E349-Q435 VanDerWaalsContact OE1-N 3.08Å |
| 350 | G | 67.4 | Low | 66 | Low | 71 Ų | 71 | 69.9 Ų | 69.9 | 73% | 0.732 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -67.1 | -5.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I348 | I348-G350 PolarHBondContact O-N 2.93Å; I348-G350 VanDerWaalsContact O-N 3.15Å |
| 351 | N | 77.8 | Confident | 67.6 | Low | 16 Ų | 16 | 73.2 Ų | 73.2 | 9% | 0.086 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -98.3 | 3.3 | 176.4 | -155.9 | 44.7 | 0 | 0 | 0 | 113.2 | N302 K303 W304 E346 I348 E349 M439 | N302-N351 PolarHBondContact O-ND2 3.45Å; K303-N351 WeakPolarHBondContact CD-OD1 3.21Å; K303-N351 WeakPolarHBondContact CE-OD1 3.36Å; K303-N351 PolarHBondContact NZ-OD1 2.72Å; W304-N351 PolarHBondContact N-O 2.65Å; E346-N351 PolarHBondContact O-ND2 3.23Å; I348-N351 HydrophobicContact CG1-CB 3.91Å; I348-N351 VanDerWaalsContact O-CB 3.28Å; I348-N351 WeakPolarHBondContact O-CB 3.26Å; I348-N351 PolarHBondContact O-N 3.02Å; E349-N351 PolarHBondContact O-N 2.91Å; E349-N351 VanDerWaalsContact O-N 3.13Å; N351-M439 HydrophobicContact CB-CE 4.45Å |
| 352 | L | 81.2 | Confident | 69.3 | Low | 22 Ų | 22 | 65.5 Ų | 65.5 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.3 | -177.8 | 179.8 | 67.2 | 0 | 0 | 0 | 112.6 | W304 L306 Y320 E349 R354 L360 | W304-L352 HydrophobicContact CB-CD1 3.7Å; L306-L352 HydrophobicContact CB-CD1 4.16Å; Y320-L352 HydrophobicContact CD1-CD1 3.64Å; Y320-L352 HydrophobicContact CE1-CD1 3.65Å; Y320-L352 HydrophobicContact CE1-CD2 3.83Å; Y320-L352 HydrophobicContact CE1-CG 4.42Å; E349-L352 WeakPolarHBondContact O-CB 3.29Å; E349-L352 PolarHBondContact O-N 3.01Å; L352-R354 HydrophobicContact CD2-CG 4.24Å; L352-R354 HydrophobicContact CG-CG 4.23Å; L352-L360 HydrophobicContact CD2-CD1 3.87Å |
| 353 | L | 82.3 | Confident | 71 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.9 | 169.6 | -59.1 | 177.6 | 0 | 0 | 0 | 110.5 | F285 M300 K303 W304 L305 L306 | F285-L353 HydrophobicContact CE1-CB 4.21Å; F285-L353 WeakPolarHBondContact CE2-O 3.36Å; F285-L353 HydrophobicContact CZ-CB 3.74Å; M300-L353 HydrophobicContact CE-CD1 3.66Å; M300-L353 HydrophobicContact SD-CD1 3.47Å; M300-L353 WeakPolarHBondContact SD-CD1 3.27Å; K303-L353 HydrophobicContact CB-CD1 4.35Å; W304-L353 PolarHBondContact O-N 3.47Å; L305-L353 HydrophobicContact CD2-CB 4.13Å; L305-L353 HydrophobicContact CD2-CD1 3.91Å; L305-L353 HydrophobicContact CD2-CG 4.49Å; L306-L353 PolarHBondContact N-O 3.02Å |
| 354 | R | 79.8 | Confident | 72.8 | Confident | 137 Ų | 137 | 60.2 Ų | 60.2 | 52% | 0.517 | 34% | 0.336 | S | S | . | . | trans | -124.6 | 143.1 | -173.3 | -64.8 | -179.6 | -72.6 | -176.9 | -1.9 | 111 | L306 L352 | L306-R354 HydrophobicContact CB-CG 4.47Å; L306-R354 HydrophobicContact CD2-CB 4.43Å; L306-R354 HydrophobicContact CD2-CG 4.03Å; L352-R354 HydrophobicContact CD2-CG 4.24Å; L352-R354 HydrophobicContact CG-CG 4.23Å | ||
| 355 | P | 72.6 | Confident | 74.6 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | trans | -67.4 | 149.3 | 176.8 | -11.7 | 25.2 | 0 | 0 | 0 | 111.2 | F285 C308 G357 V358 | F285-P355 HydrophobicContact CD2-CG 3.82Å; F285-P355 HydrophobicContact CE2-CB 4.45Å; F285-P355 HydrophobicContact CE2-CG 3.77Å; C308-P355 HydrophobicContact CB-CG 4.49Å; P355-G357 PolarHBondContact O-N 3.26Å; P355-V358 HydrophobicContact CB-CB 4.01Å; P355-V358 HydrophobicContact CB-CG2 3.88Å; P355-V358 HydrophobicContact CG-CB 3.94Å; P355-V358 HydrophobicContact CG-CG1 4.37Å; P355-V358 HydrophobicContact CG-CG2 4Å; P355-V358 PolarHBondContact O-N 2.98Å; P355-V358 VanDerWaalsContact O-N 3.17Å | ||
| 356 | A | 68.2 | Low | 76.2 | Confident | 108 Ų | 108 | 49.9 Ų | 49.9 | 89% | 0.893 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V358 | A356-V358 VanDerWaalsContact C-N 3.27Å; A356-V358 PolarHBondContact O-N 2.84Å |
| 357 | G | 67.6 | Low | 77.9 | Confident | 77 Ų | 77 | 49 Ų | 49 | 79% | 0.794 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -19.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P355 Q359 | P355-G357 PolarHBondContact O-N 3.26Å; G357-Q359 PolarHBondContact O-N 2.85Å |
| 358 | V | 68.8 | Low | 79.4 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | trans | -87.4 | 100.3 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | L306 C308 P313 P355 A356 | L306-V358 HydrophobicContact CD2-CG1 4.08Å; C308-V358 HydrophobicContact CB-CG2 4.43Å; P313-V358 HydrophobicContact CB-CG2 4.05Å; P355-V358 HydrophobicContact CB-CB 4.01Å; P355-V358 HydrophobicContact CB-CG2 3.88Å; P355-V358 HydrophobicContact CG-CB 3.94Å; P355-V358 HydrophobicContact CG-CG1 4.37Å; P355-V358 HydrophobicContact CG-CG2 4Å; P355-V358 PolarHBondContact O-N 2.98Å; P355-V358 VanDerWaalsContact O-N 3.17Å; A356-V358 VanDerWaalsContact C-N 3.27Å; A356-V358 PolarHBondContact O-N 2.84Å | ||
| 359 | Q | 66.8 | Low | 80.6 | Confident | 175 Ų | 175 | 45.7 Ų | 45.7 | 82% | 0.818 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 134.7 | 170.8 | -64.7 | -174.3 | -5.2 | 0 | 0 | 109.6 | G357 | G357-Q359 PolarHBondContact O-N 2.85Š|
| 360 | L | 75.5 | Confident | 81.9 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 143.5 | 166.2 | -70.7 | 172.6 | 0 | 0 | 0 | 108.4 | L306 A317 L352 Q435 | L306-L360 HydrophobicContact CD1-CD2 3.81Å; L306-L360 HydrophobicContact CD2-CD1 4.45Å; L306-L360 HydrophobicContact CD2-CD2 3.62Å; L306-L360 HydrophobicContact CD2-CG 3.88Å; L306-L360 HydrophobicContact CG-CD2 4.39Å; A317-L360 HydrophobicContact CB-CD2 4.37Å; L352-L360 HydrophobicContact CD2-CD1 3.87Å; L360-Q435 HydrophobicContact CB-CB 3.82Å; L360-Q435 HydrophobicContact CD1-CB 3.63Å; L360-Q435 HydrophobicContact CD1-CG 4.48Å; L360-Q435 HydrophobicContact CG-CB 4.37Å |
| 361 | R | 78.7 | Confident | 83.2 | Confident | 112 Ų | 112 | 40.3 Ų | 40.3 | 42% | 0.423 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 130.3 | 179.5 | -168.9 | 168.9 | -177.4 | -172.3 | 6 | 108.6 | A363 F436 L530 D531 | R361-A363 PolarHBondContact O-N 3.44Å; R361-F436 PolarHBondContact N-O 3.13Å; R361-F436 PolarHBondContact O-N 3.34Å; R361-L530 VanDerWaalsContact CG-O 3.25Å; R361-L530 WeakPolarHBondContact CG-O 3.37Å; R361-L530 PolarHBondContact NE-O 3.44Å; R361-D531 IonicContact CZ-OD1 2.72Å; R361-D531 IonicContact NE-OD1 3.03Å; R361-D531 IonicContact NH2-OD1 2.81Å; R361-D531 PolarHBondContact NH2-OD1 2.94Å |
| 362 | P | 82.9 | Confident | 84 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 133.8 | 168.5 | -21.2 | 32.7 | 0 | 0 | 0 | 109.2 | L530 P533 | P362-L530 HydrophobicContact CB-CB 4.45Å; P362-L530 WeakPolarHBondContact O-CA 3.32Å; P362-L530 PolarHBondContact O-N 3.02Å; P362-P533 HydrophobicContact CB-CB 4.29Å |
| 363 | A | 87.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 165.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R361 N433 I434 F436 E528 L529 | R361-A363 PolarHBondContact O-N 3.44Å; A363-N433 WeakPolarHBondContact O-CA 3.16Å; A363-N433 PolarHBondContact O-OD1 2.81Å; A363-I434 HydrophobicContact CB-CD1 4.4Å; A363-I434 HydrophobicContact CB-CG1 4.04Å; A363-I434 PolarHBondContact N-O 2.86Å; A363-I434 WeakPolarHBondContact O-CG1 3.37Å; A363-I434 PolarHBondContact O-N 3.38Å; A363-I434 VanDerWaalsContact O-O 3.07Å; A363-F436 HydrophobicContact CB-CB 3.56Å; A363-F436 HydrophobicContact CB-CG 4.38Å; A363-E528 CarbonylContact C-O 3.57Å; A363-E528 VanDerWaalsContact CA-O 3.22Å; A363-E528 WeakPolarHBondContact CA-O 3.01Å; A363-E528 WeakPolarHBondContact CB-O 3.22Å; A363-L529 HydrophobicContact CB-CD2 3.9Å |
| 364 | I | 91.4 | Very high | 84.9 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.046 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.4 | 172.4 | 50.7 | 177 | 0 | 0 | 0 | 110 | K366 T431 M432 N433 T527 E528 L530 | I364-K366 HydrophobicContact CD1-CD 4.43Å; I364-K366 VanDerWaalsContact CD1-CE 3.43Å; I364-K366 HydrophobicContact CD1-CG 4.15Å; I364-K366 HydrophobicContact CG1-CG 4.48Å; I364-T431 HydrophobicContact CB-CG2 3.93Å; I364-T431 HydrophobicContact CD1-CG2 4.02Å; I364-T431 HydrophobicContact CG2-CG2 3.73Å; I364-M432 CarbonylContact C-O 3.58Å; I364-M432 VanDerWaalsContact CA-O 3.3Å; I364-M432 WeakPolarHBondContact CA-O 3.19Å; I364-N433 HydrophobicContact CG2-CB 4.3Å; I364-T527 WeakPolarHBondContact O-CA 3.28Å; I364-E528 HydrophobicContact CD1-CB 4.35Å; I364-E528 HydrophobicContact CG1-CB 3.89Å; I364-E528 PolarHBondContact N-O 3.07Å; I364-E528 PolarHBondContact O-N 3.31Å; I364-L530 HydrophobicContact CB-CD1 4.43Å; I364-L530 HydrophobicContact CD1-CD1 4.17Å; I364-L530 HydrophobicContact CD1-CD2 4.32Å; I364-L530 HydrophobicContact CG1-CD1 4.04Å; I364-L530 HydrophobicContact CG1-CD2 4.41Å; I364-L530 HydrophobicContact CG1-CG 4.29Å; I364-L530 HydrophobicContact CG2-CD1 3.74Å |
| 365 | F | 93.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 118.4 | 155.2 | -73.7 | -19.4 | 0 | 0 | 0 | 107.8 | I367 F408 M432 I434 L443 I466 P481 L525 T527 | F365-I367 HydrophobicContact CB-CD1 4.43Å; F365-I367 HydrophobicContact CB-CG1 4.37Å; F365-F408 HydrophobicContact CD2-CD1 4.27Å; F365-F408 HydrophobicContact CD2-CE1 4.33Å; F365-F408 AromaticContact CE2-CD1 3.82Å; F365-F408 HydrophobicContact CE2-CD1 3.82Å; F365-F408 HydrophobicContact CE2-CD2 4.42Å; F365-F408 AromaticContact CE2-CE1 3.52Å; F365-F408 HydrophobicContact CE2-CE1 3.52Å; F365-F408 HydrophobicContact CE2-CE2 4.15Å; F365-F408 HydrophobicContact CE2-CG 4.26Å; F365-F408 AromaticContact CE2-CZ 3.7Å; F365-F408 HydrophobicContact CE2-CZ 3.7Å; F365-F408 HydrophobicContact CZ-CE1 4.15Å; F365-F408 HydrophobicContact CZ-CZ 4.1Å; F365-M432 HydrophobicContact CB-CB 4.46Å; F365-M432 PolarHBondContact N-O 3.42Å; F365-M432 PolarHBondContact O-N 3.16Å; F365-I434 HydrophobicContact CD1-CD1 3.6Å; F365-I434 HydrophobicContact CD2-CD1 4.09Å; F365-I434 HydrophobicContact CD2-CG2 4.27Å; F365-I434 HydrophobicContact CE1-CD1 3.41Å; F365-I434 VanDerWaalsContact CE1-CD1 3.41Å; F365-I434 HydrophobicContact CE2-CD1 3.94Å; F365-I434 HydrophobicContact CG-CD1 3.94Å; F365-I434 HydrophobicContact CZ-CD1 3.6Å; F365-L443 HydrophobicContact CD2-CD2 4.47Å; F365-L443 HydrophobicContact CE2-CD2 4.49Å; F365-I466 HydrophobicContact CE2-CD1 4.11Å; F365-I466 HydrophobicContact CZ-CD1 3.86Å; F365-P481 HydrophobicContact CE1-CB 3.91Å; F365-P481 HydrophobicContact CE1-CG 4.11Å; F365-P481 HydrophobicContact CZ-CB 4.28Å; F365-P481 HydrophobicContact CZ-CG 4.41Å; F365-L525 HydrophobicContact CB-CD1 3.61Å; F365-L525 HydrophobicContact CD1-CD1 3.86Å; F365-L525 HydrophobicContact CD2-CD1 4.35Å; F365-L525 HydrophobicContact CG-CD1 3.7Å; F365-T527 HydrophobicContact CD1-CG2 4.27Å; F365-T527 WeakPolarHBondContact CD1-OG1 3.35Å; F365-T527 HydrophobicContact CE1-CG2 4.24Å; F365-T527 VanDerWaalsContact CE1-OG1 3.26Å; F365-T527 WeakPolarHBondContact CE1-OG1 3.17Å |
| 366 | K | 94.4 | Very high | 86.1 | Confident | 40 Ų | 40 | 30 Ų | 30 | 17% | 0.174 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 106.7 | 166.1 | -71.3 | -174.8 | -176.5 | 170.5 | 0 | 107.8 | I364 L368 L525 S526 E528 | I364-K366 HydrophobicContact CD1-CD 4.43Å; I364-K366 VanDerWaalsContact CD1-CE 3.43Å; I364-K366 HydrophobicContact CD1-CG 4.15Å; I364-K366 HydrophobicContact CG1-CG 4.48Å; K366-L368 HydrophobicContact CB-CD1 4.33Å; K366-L525 WeakPolarHBondContact O-CA 3.45Å; K366-S526 PolarHBondContact N-O 3.28Å; K366-S526 PolarHBondContact O-N 2.74Å; K366-E528 VanDerWaalsContact CE-CD 3.46Å; K366-E528 WeakPolarHBondContact CE-OE1 3.42Å; K366-E528 WeakPolarHBondContact CE-OE2 3.04Å; K366-E528 IonicContact NZ-OE1 3.12Å; K366-E528 PolarHBondContact NZ-OE1 3.22Å; K366-E528 IonicContact NZ-OE2 2.82Å; K366-E528 PolarHBondContact NZ-OE2 3.36Å |
| 367 | I | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 108.8 | 179.3 | -65.2 | 167.4 | 0 | 0 | 0 | 107.5 | F365 L369 V406 I430 L443 F445 E524 L525 | F365-I367 HydrophobicContact CB-CD1 4.43Å; F365-I367 HydrophobicContact CB-CG1 4.37Å; I367-L369 PolarHBondContact O-N 3.38Å; I367-V406 HydrophobicContact CD1-CG1 3.63Å; I367-I430 HydrophobicContact CB-CB 4.23Å; I367-I430 PolarHBondContact N-O 2.84Å; I367-I430 PolarHBondContact O-N 3.39Å; I367-L443 HydrophobicContact CD1-CD1 4.3Å; I367-L443 HydrophobicContact CD1-CD2 4.28Å; I367-F445 HydrophobicContact CD1-CE1 4.28Å; I367-F445 HydrophobicContact CD1-CZ 4.35Å; I367-F445 HydrophobicContact CG2-CE1 3.93Å; I367-F445 HydrophobicContact CG2-CZ 4.5Å; I367-E524 CarbonylContact C-O 3.56Å; I367-E524 WeakPolarHBondContact CA-O 3.44Å; I367-L525 HydrophobicContact CD1-CD1 4.48Å; I367-L525 HydrophobicContact CG1-CD1 3.7Å |
| 368 | L | 95.8 | Very high | 87.2 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 99 | 175.4 | -62.8 | 70.8 | 0 | 0 | 0 | 107 | K366 Y370 L523 E524 L541 K545 | K366-L368 HydrophobicContact CB-CD1 4.33Å; L368-Y370 HydrophobicContact CB-CE2 3.95Å; L368-Y370 PolarHBondContact O-N 3.43Å; L368-L523 VanDerWaalsContact O-CA 3.25Å; L368-L523 WeakPolarHBondContact O-CA 3.22Å; L368-L523 WeakPolarHBondContact O-CB 3.47Å; L368-E524 HydrophobicContact CB-CB 4.21Å; L368-E524 PolarHBondContact N-O 2.88Å; L368-E524 PolarHBondContact O-N 2.95Å; L368-E524 VanDerWaalsContact O-N 3.1Å; L368-L541 HydrophobicContact CB-CD1 4.26Å; L368-L541 HydrophobicContact CB-CD2 4.13Å; L368-L541 HydrophobicContact CD2-CD2 3.95Å; L368-L541 HydrophobicContact CG-CD2 3.8Å; L368-K545 HydrophobicContact CD2-CD 3.91Å |
| 369 | L | 96 | Very high | 87 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 101.8 | 176.6 | -179.8 | 64.3 | 0 | 0 | 0 | 108.6 | I367 A404 W426 N427 E428 I430 V521 | I367-L369 PolarHBondContact O-N 3.38Å; L369-A404 HydrophobicContact CD2-CB 3.64Å; L369-W426 HydrophobicContact CD1-CE3 4.04Å; L369-W426 HydrophobicContact CD1-CZ3 4.4Å; L369-W426 HydrophobicContact CD2-CB 4.01Å; L369-W426 HydrophobicContact CD2-CD2 3.72Å; L369-W426 HydrophobicContact CD2-CE3 3.88Å; L369-W426 HydrophobicContact CD2-CG 3.75Å; L369-W426 HydrophobicContact CG-CB 4.01Å; L369-W426 HydrophobicContact CG-CD2 4.08Å; L369-W426 HydrophobicContact CG-CE3 3.81Å; L369-W426 HydrophobicContact CG-CG 4.16Å; L369-N427 WeakPolarHBondContact O-CA 3.41Å; L369-N427 PolarHBondContact O-N 3.19Å; L369-N427 VanDerWaalsContact O-N 3.12Å; L369-E428 PolarHBondContact N-O 3.31Å; L369-E428 PolarHBondContact O-N 3.01Å; L369-I430 HydrophobicContact CB-CD1 4.47Å; L369-I430 HydrophobicContact CD2-CD1 4.22Å; L369-V521 HydrophobicContact CD1-CG2 3.49Å; L369-V521 VanDerWaalsContact CD1-CG2 3.49Å |
| 370 | Y | 95.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -72.2 | -178.4 | -69.6 | -78 | 0 | 0 | 0 | 110.9 | L368 W426 N427 L522 E524 L541 K545 I549 | L368-Y370 HydrophobicContact CB-CE2 3.95Å; L368-Y370 PolarHBondContact O-N 3.43Å; Y370-W426 PolarHBondContact O-N 2.68Å; Y370-N427 PolarHBondContact O-N 3.29Å; Y370-L522 HydrophobicContact CD2-CG 4.29Å; Y370-L522 PolarHBondContact N-O 3.2Å; Y370-L522 VanDerWaalsContact N-O 3.17Å; Y370-E524 HydrophobicContact CE2-CB 4.06Å; Y370-E524 PolarHBondContact OH-OE2 3.44Å; Y370-E524 VanDerWaalsContact OH-OE2 3.13Å; Y370-L541 HydrophobicContact CD1-CD1 3.88Å; Y370-L541 HydrophobicContact CE1-CD1 3.78Å; Y370-K545 PolarHBondContact OH-O 3.33Å; Y370-I549 HydrophobicContact CD1-CB 4.34Å; Y370-I549 HydrophobicContact CD1-CG1 4.45Å; Y370-I549 HydrophobicContact CD1-CG2 3.77Å; Y370-I549 HydrophobicContact CD2-CG1 4.43Å; Y370-I549 HydrophobicContact CE1-CB 4.02Å; Y370-I549 HydrophobicContact CE1-CG1 4.45Å; Y370-I549 HydrophobicContact CE1-CG2 3.72Å; Y370-I549 HydrophobicContact CE2-CD1 4.5Å; Y370-I549 HydrophobicContact CE2-CG1 4.44Å; Y370-I549 HydrophobicContact CG-CG1 4.42Å; Y370-I549 HydrophobicContact CG-CG2 4.47Å |
| 371 | M | 94.9 | Very high | 85.5 | Confident | 28 Ų | 28 | 25 Ų | 25 | 14% | 0.138 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 160.9 | -172.6 | 63.8 | -173.7 | -65 | 0 | 0 | 111.4 | P424 E425 V521 L522 L553 | M371-P424 CarbonylContact C-O 3.49Å; M371-P424 WeakPolarHBondContact CA-O 3.33Å; M371-P424 WeakPolarHBondContact CB-O 3.39Å; M371-E425 HydrophobicContact CB-CG 4.15Å; M371-V521 WeakPolarHBondContact O-CG2 3.17Å; M371-L522 HydrophobicContact CG-CB 4.11Å; M371-L522 HydrophobicContact CG-CD2 4.37Å; M371-L522 PolarHBondContact O-N 3.39Å; M371-L553 HydrophobicContact SD-CD1 4.18Å; M371-L553 HydrophobicContact SD-CD2 3.96Å |
| 372 | A | 95.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 164.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L375 H423 P424 W426 R520 V521 | A372-L375 HydrophobicContact CB-CD1 4.2Å; A372-L375 HydrophobicContact CB-CD2 4.18Å; A372-L375 HydrophobicContact CB-CG 4.26Å; A372-H423 CarbonylContact O-C 3.59Å; A372-H423 WeakPolarHBondContact O-CA 3.38Å; A372-P424 HydrophobicContact CB-CG 3.99Å; A372-P424 PolarHBondContact N-O 3.09Å; A372-P424 WeakPolarHBondContact O-CD 3.43Å; A372-W426 HydrophobicContact CB-CH2 4.07Å; A372-W426 HydrophobicContact CB-CZ3 3.66Å; A372-R520 CarbonylContact C-O 3.42Å; A372-R520 WeakPolarHBondContact CA-O 3.22Å; A372-R520 WeakPolarHBondContact CB-O 3.46Å; A372-V521 HydrophobicContact CB-CB 4.13Å; A372-V521 HydrophobicContact CB-CG2 4.38Å |
| 373 | E | 92.8 | Very high | 82.8 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 164 | 177.1 | 59.4 | -172.9 | -134.8 | 0 | 0 | 111.3 | L375 H423 F487 G519 R520 R555 | E373-L375 PolarHBondContact O-N 3Å; E373-H423 WeakPolarHBondContact CA-ND1 3.27Å; E373-H423 WeakPolarHBondContact CB-ND1 3.28Å; E373-F487 HydrophobicContact CG-CE1 3.91Å; E373-G519 CarbonylContact O-C 3.53Å; E373-G519 WeakPolarHBondContact O-CA 3.47Å; E373-R520 HydrophobicContact CG-CG 3.6Å; E373-R520 PolarHBondContact N-O 2.98Å; E373-R520 PolarHBondContact O-N 2.97Å; E373-R520 IonicContact OE1-CZ 2.66Å; E373-R520 VanDerWaalsContact OE1-CZ 3.25Å; E373-R520 IonicContact OE1-NE 3.39Å; E373-R520 PolarHBondContact OE1-NE 2.88Å; E373-R520 IonicContact OE1-NH2 2.74Å; E373-R520 PolarHBondContact OE1-NH2 2.89Å; E373-R555 IonicContact OE1-CZ 3.41Å; E373-R555 VanDerWaalsContact OE1-CZ 3.29Å; E373-R555 IonicContact OE1-NH1 3.87Å; E373-R555 PolarHBondContact OE1-NH1 3.13Å; E373-R555 IonicContact OE1-NH2 3.52Å; E373-R555 PolarHBondContact OE1-NH2 2.92Å; E373-R555 IonicContact OE2-CZ 2.62Å; E373-R555 IonicContact OE2-NH1 3.99Å; E373-R555 IonicContact OE2-NH2 2.76Å; E373-R555 PolarHBondContact OE2-NH2 2.81Å |
| 374 | D | 90.6 | Very high | 81 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 8% | 0.08 | 14% | 0.14 | C | C | . | . | trans | 61.3 | 24.3 | 177.4 | -64.1 | -9.6 | 0 | 0 | 0 | 114 | H423 Y517 G519 N586 | D374-H423 IonicContact OD1-CE1 2.82Å; D374-Y517 HydrophobicContact CB-CE1 3.61Å; D374-Y517 WeakPolarHBondContact OD2-CE1 3.46Å; D374-Y517 PolarHBondContact OD2-OH 2.92Å; D374-G519 WeakPolarHBondContact O-CA 3.44Å; D374-N586 VanDerWaalsContact CB-ND2 3.26Å; D374-N586 WeakPolarHBondContact CB-ND2 3.33Å | ||
| 375 | L | 90.4 | Very high | 79 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 125.5 | -177.4 | -61.8 | -174.9 | 0 | 0 | 0 | 111 | A372 E373 V400 P402 D422 P424 I459 L490 | A372-L375 HydrophobicContact CB-CD1 4.2Å; A372-L375 HydrophobicContact CB-CD2 4.18Å; A372-L375 HydrophobicContact CB-CG 4.26Å; E373-L375 PolarHBondContact O-N 3Å; L375-V400 HydrophobicContact CB-CG2 4.1Å; L375-P402 HydrophobicContact CD1-CB 3.69Å; L375-P402 HydrophobicContact CD1-CG 3.98Å; L375-D422 WeakPolarHBondContact CB-O 3.42Å; L375-D422 PolarHBondContact N-O 3.4Å; L375-D422 VanDerWaalsContact N-O 3.16Å; L375-D422 WeakPolarHBondContact O-CB 3.24Å; L375-P424 HydrophobicContact CD1-CG 3.63Å; L375-I459 HydrophobicContact CD2-CG2 4.33Å; L375-L490 HydrophobicContact CD2-CD1 4.04Å |
| 376 | P | 86.6 | Confident | 77.1 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -74 | 148.4 | -176 | 30.5 | -37.2 | 0 | 0 | 0 | 112.7 | V400 I459 R518 | P376-V400 WeakPolarHBondContact O-CG1 3.42Å; P376-I459 HydrophobicContact CG-CG2 3.84Å; P376-R518 VanDerWaalsContact CD-O 3.26Å; P376-R518 WeakPolarHBondContact CD-O 3.38Å; P376-R518 HydrophobicContact CG-CB 4.27Å |
| 377 | R | 79.4 | Confident | 74.9 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 30% | 0.302 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 134.5 | 165.5 | -63.7 | 175.8 | 173.2 | -176.5 | -7.9 | 110.4 | E398 Y497 | R377-E398 WeakPolarHBondContact CD-O 3.48Å; R377-E398 WeakPolarHBondContact CG-O 3.4Å; R377-E398 IonicContact CZ-OE1 2.76Å; R377-E398 PolarHBondContact NE-O 2.92Å; R377-E398 IonicContact NH1-OE1 3.89Å; R377-E398 VanDerWaalsContact NH2-CD 3.26Å; R377-E398 PolarHBondContact NH2-O 2.72Å; R377-E398 IonicContact NH2-OE1 3.41Å; R377-E398 PolarHBondContact NH2-OE1 2.8Å; R377-E398 IonicContact NH2-OE2 3.67Å; R377-Y497 HydrophobicContact CB-CE1 3.93Å |
| 378 | M | 78.7 | Confident | 72.7 | Confident | 38 Ų | 38 | 37 Ų | 37 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | trans | -100.1 | -39.9 | 175.3 | -60.2 | -55.1 | -68.2 | 0 | 0 | 112.6 | V400 D449 D457 P458 I459 R518 | M378-V400 HydrophobicContact CB-CG1 4.44Å; M378-V400 HydrophobicContact CG-CG1 3.91Å; M378-D449 HydrophobicContact CB-CB 4.23Å; M378-D449 HydrophobicContact CG-CB 3.81Å; M378-D457 HydrophobicContact CB-CB 4.22Å; M378-D457 HydrophobicContact CE-CB 3.74Å; M378-D457 HydrophobicContact CG-CB 4.35Å; M378-P458 WeakPolarHBondContact CE-O 3.17Å; M378-I459 HydrophobicContact CG-CG1 3.93Å; M378-I459 HydrophobicContact SD-CB 4.3Å; M378-I459 HydrophobicContact SD-CG1 4.04Å; M378-I459 HydrophobicContact SD-CG2 4.39Å; M378-R518 PolarHBondContact SD-NH2 2.86Å | ||
| 379 | D | 66.1 | Low | 70.4 | Confident | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | trans | -67 | 133.4 | -179.2 | -96.2 | -36.2 | 0 | 0 | 0 | 113.7 | K387 | D379-K387 IonicContact OD1-NZ 3.82Å; D379-K387 PolarHBondContact OD1-NZ 3.27Å; D379-K387 IonicContact OD2-NZ 3.99Å; D379-K387 PolarHBondContact OD2-NZ 3.26Å | ||
| 380 | S | 57.3 | Low | 68.2 | Low | 21 Ų | 21 | 49.9 Ų | 49.9 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | trans | -85 | 152 | 171.4 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | A382 F383 K384 | S380-A382 VanDerWaalsContact C-N 3.3Å; S380-A382 PolarHBondContact O-N 2.98Å; S380-F383 PolarHBondContact O-N 3.04Å; S380-F383 WeakPolarHBondContact OG-CD2 3.45Å; S380-K384 PolarHBondContact O-N 3.09Å | ||
| 381 | D | 52.5 | Low | 65.6 | Low | 113 Ų | 113 | 51.4 Ų | 51.4 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.1 | -31.3 | -176.6 | -69.9 | -40.6 | 0 | 0 | 0 | 113.3 | K384 G385 | D381-K384 PolarHBondContact O-N 2.72Å; D381-K384 WeakPolarHBondContact OD1-CD 3.4Å; D381-K384 WeakPolarHBondContact OD1-CE 3.17Å; D381-K384 IonicContact OD1-NZ 2.85Å; D381-K384 PolarHBondContact OD1-NZ 3.04Å; D381-G385 PolarHBondContact O-N 3.32Å |
| 382 | A | 52.1 | Low | 63.3 | Low | 46 Ų | 46 | 57.5 Ų | 57.5 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S380 G385 D499 | S380-A382 VanDerWaalsContact C-N 3.3Å; S380-A382 PolarHBondContact O-N 2.98Å; A382-G385 PolarHBondContact O-N 3.31Å; A382-D499 HydrophobicContact CB-CB 4.19Å; A382-D499 WeakPolarHBondContact CB-OD1 3.46Å |
| 383 | F | 52.8 | Low | 60.7 | Low | 107 Ų | 107 | 60 Ų | 60 | 47% | 0.469 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -74.5 | -27.9 | 176.6 | -88.6 | -93.7 | 0 | 0 | 0 | 113.1 | S380 G385 I386 K387 | S380-F383 PolarHBondContact O-N 3.04Å; S380-F383 WeakPolarHBondContact OG-CD2 3.45Å; F383-G385 VanDerWaalsContact C-N 3.28Å; F383-G385 PolarHBondContact O-N 2.81Å; F383-I386 PolarHBondContact O-N 2.6Å; F383-I386 VanDerWaalsContact O-N 3.17Å; F383-K387 WeakPolarHBondContact O-CB 3.38Å; F383-K387 PolarHBondContact O-N 2.72Å |
| 384 | K | 49.2 | Very low | 58.4 | Low | 41 Ų | 41 | 67.8 Ų | 67.8 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.3 | -45.3 | 167.1 | -72.3 | -179.8 | -174.5 | 159.5 | 0 | 111.6 | S380 D381 I386 K387 N388 K397 | S380-K384 PolarHBondContact O-N 3.09Å; D381-K384 PolarHBondContact O-N 2.72Å; D381-K384 WeakPolarHBondContact OD1-CD 3.4Å; D381-K384 WeakPolarHBondContact OD1-CE 3.17Å; D381-K384 IonicContact OD1-NZ 2.85Å; D381-K384 PolarHBondContact OD1-NZ 3.04Å; K384-I386 VanDerWaalsContact C-N 3.29Å; K384-I386 PolarHBondContact O-N 2.84Å; K384-K387 PolarHBondContact O-N 3.23Å; K384-N388 VanDerWaalsContact O-CB 3.27Å; K384-N388 WeakPolarHBondContact O-CB 3.42Å; K384-N388 PolarHBondContact O-N 3.29Å; K384-N388 PolarHBondContact O-OD1 3.38Å; K384-K397 WeakPolarHBondContact CE-O 3.39Å |
| 385 | G | 50.9 | Low | 56.1 | Low | 46 Ų | 46 | 74.7 Ų | 74.7 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D381 A382 F383 L389 | D381-G385 PolarHBondContact O-N 3.32Å; A382-G385 PolarHBondContact O-N 3.31Å; F383-G385 VanDerWaalsContact C-N 3.28Å; F383-G385 PolarHBondContact O-N 2.81Å; G385-L389 WeakPolarHBondContact O-CB 3.26Å; G385-L389 PolarHBondContact O-N 3.25Å |
| 386 | I | 51.9 | Low | 54 | Low | 95 Ų | 95 | 81.8 Ų | 81.8 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -77.1 | -42.1 | 179 | -61.1 | 172.4 | 0 | 0 | 0 | 111.4 | F383 K384 L389 L390 | F383-I386 PolarHBondContact O-N 2.6Å; F383-I386 VanDerWaalsContact O-N 3.17Å; K384-I386 VanDerWaalsContact C-N 3.29Å; K384-I386 PolarHBondContact O-N 2.84Å; I386-L389 PolarHBondContact O-N 3.38Å; I386-L390 HydrophobicContact CG2-CD1 4Å; I386-L390 PolarHBondContact O-N 3.46Å; I386-L390 VanDerWaalsContact O-N 3.16Å |
| 387 | K | 48.6 | Very low | 52.4 | Low | 37 Ų | 37 | 85.3 Ų | 85.3 | 16% | 0.161 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.6 | -51.9 | 174.2 | -82.4 | 178.2 | 169.1 | 171.7 | 0 | 110 | D379 F383 K384 L389 L390 T391 D451 | D379-K387 IonicContact OD1-NZ 3.82Å; D379-K387 PolarHBondContact OD1-NZ 3.27Å; D379-K387 IonicContact OD2-NZ 3.99Å; D379-K387 PolarHBondContact OD2-NZ 3.26Å; F383-K387 WeakPolarHBondContact O-CB 3.38Å; F383-K387 PolarHBondContact O-N 2.72Å; K384-K387 PolarHBondContact O-N 3.23Å; K387-L389 VanDerWaalsContact C-N 3.25Å; K387-L389 PolarHBondContact O-N 3.21Å; K387-L390 CarbonylContact O-C 3.57Å; K387-L390 WeakPolarHBondContact O-CA 3.33Å; K387-L390 PolarHBondContact O-N 2.95Å; K387-T391 PolarHBondContact O-N 2.6Å; K387-T391 PolarHBondContact O-OG1 3.07Å; K387-D451 VanDerWaalsContact CE-OD1 3.22Å; K387-D451 WeakPolarHBondContact CE-OD1 3.39Å; K387-D451 IonicContact NZ-OD1 3.02Å; K387-D451 PolarHBondContact NZ-OD1 2.79Å; K387-D451 IonicContact NZ-OD2 2.69Å; K387-D451 PolarHBondContact NZ-OD2 3.49Å |
| 388 | N | 49.2 | Very low | 51.4 | Low | 65 Ų | 65 | 85 Ų | 85 | 35% | 0.348 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -29.7 | 177.5 | -69.3 | 11.3 | 0 | 0 | 0 | 113.4 | K384 | K384-N388 VanDerWaalsContact O-CB 3.27Å; K384-N388 WeakPolarHBondContact O-CB 3.42Å; K384-N388 PolarHBondContact O-N 3.29Å; K384-N388 PolarHBondContact O-OD1 3.38Å |
| 389 | L | 49 | Very low | 51.1 | Low | 157 Ų | 157 | 86.9 Ų | 86.9 | 82% | 0.822 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -75.5 | -24.7 | 174.9 | -156.7 | 108.8 | 0 | 0 | 0 | 113 | G385 I386 K387 | G385-L389 WeakPolarHBondContact O-CB 3.26Å; G385-L389 PolarHBondContact O-N 3.25Å; I386-L389 PolarHBondContact O-N 3.38Å; K387-L389 VanDerWaalsContact C-N 3.25Å; K387-L389 PolarHBondContact O-N 3.21Å |
| 390 | L | 48 | Very low | 51.9 | Low | 121 Ų | 121 | 85.8 Ų | 85.8 | 63% | 0.634 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -95.4 | -24.2 | 178.9 | -74.7 | 166 | 0 | 0 | 0 | 113.3 | I386 K387 | I386-L390 HydrophobicContact CG2-CD1 4Å; I386-L390 PolarHBondContact O-N 3.46Å; I386-L390 VanDerWaalsContact O-N 3.16Å; K387-L390 CarbonylContact O-C 3.57Å; K387-L390 WeakPolarHBondContact O-CA 3.33Å; K387-L390 PolarHBondContact O-N 2.95Å |
| 391 | T | 41.9 | Very low | 53.4 | Low | 33 Ų | 33 | 85.1 Ų | 85.1 | 20% | 0.202 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -110.8 | 117.3 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | K387 S393 | K387-T391 PolarHBondContact O-N 2.6Å; K387-T391 PolarHBondContact O-OG1 3.07Å; T391-S393 PolarHBondContact O-N 2.66Å |
| 392 | T | 46.4 | Very low | 55.3 | Low | 156 Ų | 156 | 79.8 Ų | 79.8 | 96% | 0.957 | 42% | 0.424 | S | S | * | . | trans | -70.8 | 39.8 | 178.4 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 393 | S | 39.4 | Very low | 57.3 | Low | 52 Ų | 52 | 78.5 Ų | 78.5 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | trans | -118 | 110.5 | 174 | 47.6 | 0 | 0 | 0 | 0 | 107.9 | T391 E395 | T391-S393 PolarHBondContact O-N 2.66Å; S393-E395 PolarHBondContact O-N 3.1Å | ||
| 394 | D | 44.5 | Very low | 59.3 | Low | 167 Ų | 167 | 73.4 Ų | 73.4 | 89% | 0.893 | 39% | 0.388 | S | S | * | . | trans | -70.4 | 12.7 | 176.2 | -64.3 | -49.3 | 0 | 0 | 0 | 113.3 | E396 | D394-E396 PolarHBondContact O-N 3.1Š| ||
| 395 | E | 43.5 | Very low | 61.4 | Low | 161 Ų | 161 | 73.5 Ų | 73.5 | 75% | 0.752 | 39% | 0.39 | S | S | * | . | trans | -82 | 117 | -179.1 | -68.1 | -173.7 | 164.4 | 0 | 0 | 110.5 | S393 K397 | S393-E395 PolarHBondContact O-N 3.1Å; E395-K397 PolarHBondContact O-N 3.11Å | ||
| 396 | E | 46.8 | Very low | 63.5 | Low | 153 Ų | 153 | 71.4 Ų | 71.4 | 72% | 0.715 | 37% | 0.367 | S | S | * | . | trans | -61.7 | 101.2 | 173 | -64.6 | 176.9 | 157 | 0 | 0 | 109.6 | D394 E398 | D394-E396 PolarHBondContact O-N 3.1Å; E396-E398 VanDerWaalsContact C-N 3.3Å; E396-E398 PolarHBondContact O-N 3.13Å | ||
| 397 | K | 51.6 | Low | 65.3 | Low | 76 Ų | 76 | 68 Ų | 68 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | trans | -63.7 | 90.1 | 171.3 | -95 | -167.1 | 156.2 | -140.5 | 0 | 110.2 | K384 E395 D401 | K384-K397 WeakPolarHBondContact CE-O 3.39Å; E395-K397 PolarHBondContact O-N 3.11Å; K397-D401 IonicContact NZ-OD1 3.19Å; K397-D401 IonicContact NZ-OD2 3.28Å; K397-D401 PolarHBondContact NZ-OD2 3.05Å | ||
| 398 | E | 59.2 | Low | 67.2 | Low | 73 Ų | 73 | 66.4 Ų | 66.4 | 34% | 0.341 | 35% | 0.345 | S | S | . | . | trans | -87.6 | -14.4 | 176.7 | -79.9 | -143.9 | 103.8 | 0 | 0 | 114 | R377 E396 | R377-E398 WeakPolarHBondContact CD-O 3.48Å; R377-E398 WeakPolarHBondContact CG-O 3.4Å; R377-E398 IonicContact CZ-OE1 2.76Å; R377-E398 PolarHBondContact NE-O 2.92Å; R377-E398 IonicContact NH1-OE1 3.89Å; R377-E398 VanDerWaalsContact NH2-CD 3.26Å; R377-E398 PolarHBondContact NH2-O 2.72Å; R377-E398 IonicContact NH2-OE1 3.41Å; R377-E398 PolarHBondContact NH2-OE1 2.8Å; R377-E398 IonicContact NH2-OE2 3.67Å; E396-E398 VanDerWaalsContact C-N 3.3Å; E396-E398 PolarHBondContact O-N 3.13Å | ||
| 399 | F | 72.1 | Confident | 68.6 | Low | 79 Ų | 79 | 63.8 Ų | 63.8 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -134.6 | 159.6 | -171.9 | -59.5 | -78 | 0 | 0 | 0 | 111.6 | G420 D422 | F399-G420 VanDerWaalsContact CB-C 3.43Å; F399-D422 HydrophobicContact CD1-CB 3.98Å; F399-D422 HydrophobicContact CE1-CB 4.49Å; F399-D422 WeakPolarHBondContact CE1-OD2 3.23Å |
| 400 | V | 83.8 | Confident | 69.8 | Low | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | trans | -72.8 | 159.6 | 176.4 | -68.6 | 0 | 0 | 0 | 0 | 112 | L375 P376 M378 P402 G420 T421 D449 I459 | L375-V400 HydrophobicContact CB-CG2 4.1Å; P376-V400 WeakPolarHBondContact O-CG1 3.42Å; M378-V400 HydrophobicContact CB-CG1 4.44Å; M378-V400 HydrophobicContact CG-CG1 3.91Å; V400-P402 HydrophobicContact CG2-CB 4.44Å; V400-P402 HydrophobicContact CG2-CG 4.31Å; V400-P402 WeakPolarHBondContact O-CD 3.36Å; V400-G420 PolarHBondContact O-N 2.9Å; V400-T421 WeakPolarHBondContact CG2-O 3.2Å; V400-T421 PolarHBondContact O-N 2.87Å; V400-D449 HydrophobicContact CB-CB 4.4Å; V400-D449 HydrophobicContact CG1-CB 4.31Å; V400-D449 WeakPolarHBondContact CG1-OD2 3.4Å; V400-I459 HydrophobicContact CB-CD1 4.32Å; V400-I459 HydrophobicContact CG1-CD1 4.41Å; V400-I459 HydrophobicContact CG2-CD1 4.34Å | ||
| 401 | D | 87.5 | Confident | 71.6 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.043 | 31% | 0.307 | C | S | . | . | trans | -106.7 | 68.5 | 170.5 | -68.7 | -22 | 0 | 0 | 0 | 110.5 | K397 T417 K418 Y419 G420 D449 W450 | K397-D401 IonicContact NZ-OD1 3.19Å; K397-D401 IonicContact NZ-OD2 3.28Å; K397-D401 PolarHBondContact NZ-OD2 3.05Å; D401-T417 HydrophobicContact CB-CG2 4.23Å; D401-K418 CarbonylContact C-O 3.56Å; D401-K418 WeakPolarHBondContact CA-O 3.45Å; D401-Y419 HydrophobicContact CB-CD1 4.09Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.36Å; D401-G420 PolarHBondContact OD1-N 2.9Å; D401-D449 PolarHBondContact N-OD1 3.22Å; D401-W450 HydrophobicContact CB-CB 4.07Å; D401-W450 HydrophobicContact CB-CE3 4.49Å; D401-W450 WeakPolarHBondContact O-CB 3.27Å; D401-W450 PolarHBondContact O-N 2.66Å | ||
| 402 | P | 93 | Very high | 73.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 144.6 | -163 | 30.8 | -37.9 | 0 | 0 | 0 | 113.8 | L375 V400 K418 T421 P424 W426 F448 I459 | L375-P402 HydrophobicContact CD1-CB 3.69Å; L375-P402 HydrophobicContact CD1-CG 3.98Å; V400-P402 HydrophobicContact CG2-CB 4.44Å; V400-P402 HydrophobicContact CG2-CG 4.31Å; V400-P402 WeakPolarHBondContact O-CD 3.36Å; P402-K418 VanDerWaalsContact CD-O 3.26Å; P402-K418 WeakPolarHBondContact CD-O 3.37Å; P402-K418 HydrophobicContact CG-CB 4.42Å; P402-K418 VanDerWaalsContact N-O 3.16Å; P402-K418 PolarHBondContact O-N 2.92Å; P402-T421 WeakPolarHBondContact CD-O 3.4Å; P402-P424 HydrophobicContact CB-CG 4.26Å; P402-P424 HydrophobicContact CG-CB 3.62Å; P402-P424 HydrophobicContact CG-CG 3.58Å; P402-W426 HydrophobicContact CB-CH2 4.45Å; P402-W426 HydrophobicContact CB-CZ2 4.17Å; P402-W426 HydrophobicContact CG-CZ2 4.4Å; P402-F448 WeakPolarHBondContact CA-O 3.44Å; P402-I459 HydrophobicContact CB-CD1 4.16Å |
| 403 | Y | 94.6 | Very high | 75.9 | Confident | 20 Ų | 20 | 52 Ų | 52 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 152.8 | 160.9 | 70.1 | -92.9 | 0 | 0 | 0 | 111.6 | L405 K414 F447 F448 W450 N456 | Y403-L405 HydrophobicContact CE2-CB 4.46Å; Y403-K414 HydrophobicContact CD2-CD 3.77Å; Y403-K414 VanDerWaalsContact CD2-CE 3.41Å; Y403-K414 HydrophobicContact CD2-CG 3.45Å; Y403-K414 VanDerWaalsContact CD2-CG 3.45Å; Y403-K414 HydrophobicContact CE2-CD 3.9Å; Y403-K414 HydrophobicContact CE2-CG 3.8Å; Y403-K414 HydrophobicContact CG-CD 4.26Å; Y403-K414 HydrophobicContact CG-CG 4.24Å; Y403-F447 WeakPolarHBondContact O-CA 3.2Å; Y403-F448 HydrophobicContact CD1-CB 4.05Å; Y403-F448 HydrophobicContact CD2-CB 4.39Å; Y403-F448 HydrophobicContact CE1-CB 3.48Å; Y403-F448 VanDerWaalsContact CE1-CB 3.48Å; Y403-F448 HydrophobicContact CE1-CG 4.41Å; Y403-F448 HydrophobicContact CE2-CB 3.85Å; Y403-F448 AromaticContact CE2-CD2 3.77Å; Y403-F448 HydrophobicContact CE2-CD2 3.77Å; Y403-F448 HydrophobicContact CE2-CG 4.12Å; Y403-F448 HydrophobicContact CG-CB 4.49Å; Y403-F448 AromaticContact CZ-CD2 3.93Å; Y403-F448 AromaticContact CZ-CG 3.81Å; Y403-F448 PolarHBondContact N-O 3.38Å; Y403-F448 PolarHBondContact O-N 2.57Å; Y403-W450 HydrophobicContact CD1-CB 4.04Å; Y403-W450 HydrophobicContact CE1-CB 4.18Å; Y403-N456 HydrophobicContact CE1-CB 4.23Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.29Å; Y403-N456 PolarHBondContact OH-ND2 3.02Å |
| 404 | A | 94.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 136.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L369 K414 S415 F447 | L369-A404 HydrophobicContact CD2-CB 3.64Å; A404-K414 WeakPolarHBondContact O-CA 3.38Å; A404-S415 PolarHBondContact N-OG 3.36Å; A404-S415 PolarHBondContact O-N 3Å; A404-F447 HydrophobicContact CB-CD1 4.07Å; A404-F447 HydrophobicContact CB-CE1 3.54Å; A404-F447 HydrophobicContact CB-CZ 3.98Å |
| 405 | L | 94.2 | Very high | 80.8 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 107.5 | 164.7 | -170.5 | 71.8 | 0 | 0 | 0 | 108.2 | Y403 K414 T446 F448 | Y403-L405 HydrophobicContact CE2-CB 4.46Å; L405-K414 HydrophobicContact CD1-CB 4.22Å; L405-T446 PolarHBondContact N-O 2.88Å; L405-T446 PolarHBondContact O-N 3.47Å; L405-F448 HydrophobicContact CB-CD2 4.14Å; L405-F448 HydrophobicContact CB-CE2 3.94Å; L405-F448 HydrophobicContact CD2-CE2 3.84Å |
| 406 | V | 93.7 | Very high | 83.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.3 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | I367 S412 I413 I430 M432 L443 K444 F445 | I367-V406 HydrophobicContact CD1-CG1 3.63Å; V406-S412 CarbonylContact O-C 3.2Å; V406-S412 VanDerWaalsContact O-CA 3.25Å; V406-S412 WeakPolarHBondContact O-CA 3.5Å; V406-I413 PolarHBondContact N-O 2.89Å; V406-I413 PolarHBondContact O-N 3.43Å; V406-I430 HydrophobicContact CG2-CD1 3.72Å; V406-M432 HydrophobicContact CB-CE 4.17Å; V406-M432 HydrophobicContact CG1-CE 3.74Å; V406-L443 HydrophobicContact CG1-CD1 3.89Å; V406-K444 CarbonylContact C-O 3.45Å; V406-K444 WeakPolarHBondContact CA-O 3.27Å; V406-F445 HydrophobicContact CG1-CD1 4.28Å; V406-F445 HydrophobicContact CG1-CE1 3.93Å; V406-F445 HydrophobicContact CG2-CD1 3.92Å; V406-F445 HydrophobicContact CG2-CE1 4.01Å |
| 407 | S | 89.5 | Confident | 85.2 | Confident | 23 Ų | 23 | 34.1 Ų | 34.1 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.1 | -177.9 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | K411 S412 K444 | S407-K411 VanDerWaalsContact CA-O 3.29Å; S407-K411 WeakPolarHBondContact CA-O 3.46Å; S407-S412 WeakPolarHBondContact CB-OG 3.41Å; S407-S412 PolarHBondContact OG-OG 3.07Å; S407-K444 PolarHBondContact N-O 3.13Å; S407-K444 PolarHBondContact O-N 2.97Å |
| 408 | F | 88.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 139.6 | -179.6 | -173.4 | -110.8 | 0 | 0 | 0 | 110.5 | F365 G410 K411 M432 I434 S438 C440 L443 I466 | F365-F408 HydrophobicContact CD2-CD1 4.27Å; F365-F408 HydrophobicContact CD2-CE1 4.33Å; F365-F408 AromaticContact CE2-CD1 3.82Å; F365-F408 HydrophobicContact CE2-CD1 3.82Å; F365-F408 HydrophobicContact CE2-CD2 4.42Å; F365-F408 AromaticContact CE2-CE1 3.52Å; F365-F408 HydrophobicContact CE2-CE1 3.52Å; F365-F408 HydrophobicContact CE2-CE2 4.15Å; F365-F408 HydrophobicContact CE2-CG 4.26Å; F365-F408 AromaticContact CE2-CZ 3.7Å; F365-F408 HydrophobicContact CE2-CZ 3.7Å; F365-F408 HydrophobicContact CZ-CE1 4.15Å; F365-F408 HydrophobicContact CZ-CZ 4.1Å; F408-G410 PolarHBondContact O-N 2.98Å; F408-K411 PolarHBondContact N-O 3.26Å; F408-K411 VanDerWaalsContact N-O 3.09Å; F408-K411 WeakPolarHBondContact O-CB 3.45Å; F408-K411 PolarHBondContact O-N 2.78Å; F408-M432 HydrophobicContact CB-SD 3.76Å; F408-I434 HydrophobicContact CD1-CG2 3.81Å; F408-I434 HydrophobicContact CE1-CG2 3.96Å; F408-S438 WeakPolarHBondContact CE1-OG 3.49Å; F408-S438 WeakPolarHBondContact CZ-OG 3.26Å; F408-C440 HydrophobicContact CD2-CB 4.12Å; F408-C440 WeakPolarHBondContact CD2-SG 3.05Å; F408-C440 HydrophobicContact CE1-CB 4.31Å; F408-C440 HydrophobicContact CE2-CB 3.67Å; F408-C440 VanDerWaalsContact CE2-O 3.31Å; F408-C440 WeakPolarHBondContact CE2-O 3.46Å; F408-C440 WeakPolarHBondContact CE2-SG 3.29Å; F408-C440 HydrophobicContact CZ-CB 3.77Å; F408-C440 WeakPolarHBondContact CZ-O 3.18Å; F408-L443 HydrophobicContact CB-CD1 3.72Å; F408-L443 HydrophobicContact CD2-CB 3.93Å; F408-L443 HydrophobicContact CD2-CD1 4.1Å; F408-L443 HydrophobicContact CE2-CB 4.39Å; F408-L443 HydrophobicContact CG-CD1 4.1Å; F408-I466 HydrophobicContact CE2-CD1 3.96Å; F408-I466 HydrophobicContact CE2-CG1 3.69Å; F408-I466 HydrophobicContact CZ-CD1 4.29Å; F408-I466 HydrophobicContact CZ-CG1 4.03Å |
| 409 | A | 79.3 | Confident | 88.3 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 27.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D347 E349 C440 | D347-A409 CarbonylContact O-C 3.35Å; D347-A409 WeakPolarHBondContact O-CA 3.49Å; E349-A409 HydrophobicContact CG-CB 3.97Å; A409-C440 HydrophobicContact CB-CB 3.76Å; A409-C440 PolarHBondContact N-SG 2.84Å |
| 410 | G | 74.9 | Confident | 88.8 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 64% | 0.639 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | -9.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F408 | F408-G410 PolarHBondContact O-N 2.98Š|
| 411 | K | 84 | Confident | 88.9 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 155.4 | 170.4 | -66.4 | -171.4 | 170.4 | -162.6 | 0 | 111.4 | S407 F408 M432 N433 D536 | S407-K411 VanDerWaalsContact CA-O 3.29Å; S407-K411 WeakPolarHBondContact CA-O 3.46Å; F408-K411 PolarHBondContact N-O 3.26Å; F408-K411 VanDerWaalsContact N-O 3.09Å; F408-K411 WeakPolarHBondContact O-CB 3.45Å; F408-K411 PolarHBondContact O-N 2.78Å; K411-M432 HydrophobicContact CB-SD 4.49Å; K411-M432 HydrophobicContact CD-CG 4.37Å; K411-N433 WeakPolarHBondContact CE-O 3.44Å; K411-N433 PolarHBondContact NZ-O 3.04Å; K411-D536 IonicContact NZ-OD1 3.17Å; K411-D536 PolarHBondContact NZ-OD1 3.29Å; K411-D536 IonicContact NZ-OD2 3.62Å; K411-D536 PolarHBondContact NZ-OD2 3.36Å |
| 412 | S | 87.6 | Confident | 88.8 | Confident | 74 Ų | 74 | 37.8 Ų | 37.8 | 52% | 0.517 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 126.9 | 169.3 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | V406 S407 | V406-S412 CarbonylContact O-C 3.2Å; V406-S412 VanDerWaalsContact O-CA 3.25Å; V406-S412 WeakPolarHBondContact O-CA 3.5Å; S407-S412 WeakPolarHBondContact CB-OG 3.41Å; S407-S412 PolarHBondContact OG-OG 3.07Å |
| 413 | I | 92.3 | Very high | 88.8 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.4 | 178.2 | -57.5 | 172.2 | 0 | 0 | 0 | 109 | V406 I430 M432 D536 V538 | V406-I413 PolarHBondContact N-O 2.89Å; V406-I413 PolarHBondContact O-N 3.43Å; I413-I430 HydrophobicContact CB-CG2 4.1Å; I413-I430 HydrophobicContact CD1-CG2 4.1Å; I413-I430 HydrophobicContact CG2-CG2 3.8Å; I413-M432 HydrophobicContact CB-CE 4.34Å; I413-M432 HydrophobicContact CD1-CB 3.77Å; I413-M432 HydrophobicContact CD1-CE 3.75Å; I413-M432 HydrophobicContact CD1-CG 3.84Å; I413-M432 HydrophobicContact CG1-CE 3.94Å; I413-D536 HydrophobicContact CD1-CB 3.85Å; I413-V538 HydrophobicContact CG2-CG2 3.5Å; I413-V538 VanDerWaalsContact CG2-CG2 3.5Å |
| 414 | K | 92.7 | Very high | 88.7 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.6 | -178.7 | -166.6 | -164.3 | 149.9 | 164.3 | 0 | 110.7 | Y403 A404 L405 T417 | Y403-K414 HydrophobicContact CD2-CD 3.77Å; Y403-K414 VanDerWaalsContact CD2-CE 3.41Å; Y403-K414 HydrophobicContact CD2-CG 3.45Å; Y403-K414 VanDerWaalsContact CD2-CG 3.45Å; Y403-K414 HydrophobicContact CE2-CD 3.9Å; Y403-K414 HydrophobicContact CE2-CG 3.8Å; Y403-K414 HydrophobicContact CG-CD 4.26Å; Y403-K414 HydrophobicContact CG-CG 4.24Å; A404-K414 WeakPolarHBondContact O-CA 3.38Å; L405-K414 HydrophobicContact CD1-CB 4.22Å; K414-T417 PolarHBondContact NZ-OG1 2.87Å; K414-T417 VanDerWaalsContact NZ-OG1 3.08Å |
| 415 | S | 94.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | trans | -71.2 | 176.9 | 168.8 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | A404 W426 E428 | A404-S415 PolarHBondContact N-OG 3.36Å; A404-S415 PolarHBondContact O-N 3Å; S415-W426 PolarHBondContact OG-NE1 3.29Å; S415-E428 WeakPolarHBondContact CB-OE2 3.4Å | ||
| 416 | S | 91.6 | Very high | 88.6 | Confident | 41 Ų | 41 | 44.5 Ų | 44.5 | 29% | 0.287 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 152 | 160.9 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | K418 W426 E428 | S416-K418 VanDerWaalsContact OG-CE 3.22Å; S416-K418 WeakPolarHBondContact OG-CE 3.45Å; S416-W426 PolarHBondContact O-NE1 3.46Å; S416-E428 WeakPolarHBondContact CB-OE1 3.29Å; S416-E428 PolarHBondContact N-OE2 3.36Å; S416-E428 VanDerWaalsContact OG-CD 3.28Å; S416-E428 PolarHBondContact OG-OE1 3.03Å; S416-E428 PolarHBondContact OG-OE2 2.81Å |
| 417 | T | 91.1 | Very high | 88.7 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 128.8 | 168.9 | -67.1 | 0 | 0 | 0 | 0 | 108.6 | D401 K414 Y419 W450 | D401-T417 HydrophobicContact CB-CG2 4.23Å; K414-T417 PolarHBondContact NZ-OG1 2.87Å; K414-T417 VanDerWaalsContact NZ-OG1 3.08Å; T417-Y419 HydrophobicContact CG2-CD1 4.11Å; T417-Y419 HydrophobicContact CG2-CE1 3.68Å; T417-Y419 HydrophobicContact CG2-CE2 4.35Å; T417-W450 HydrophobicContact CG2-CB 3.69Å; T417-W450 HydrophobicContact CG2-CG 4.14Å |
| 418 | K | 90.6 | Very high | 89 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 23% | 0.226 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 145.1 | 168.1 | -54.3 | -65.4 | 161.7 | 152.3 | 0 | 107.5 | D401 P402 S416 T421 P424 E425 W426 | D401-K418 CarbonylContact C-O 3.56Å; D401-K418 WeakPolarHBondContact CA-O 3.45Å; P402-K418 VanDerWaalsContact CD-O 3.26Å; P402-K418 WeakPolarHBondContact CD-O 3.37Å; P402-K418 HydrophobicContact CG-CB 4.42Å; P402-K418 VanDerWaalsContact N-O 3.16Å; P402-K418 PolarHBondContact O-N 2.92Å; S416-K418 VanDerWaalsContact OG-CE 3.22Å; S416-K418 WeakPolarHBondContact OG-CE 3.45Å; K418-T421 HydrophobicContact CB-CG2 3.94Å; K418-P424 HydrophobicContact CB-CB 3.98Å; K418-P424 HydrophobicContact CG-CB 3.89Å; K418-E425 WeakPolarHBondContact CD-O 3.25Å; K418-E425 WeakPolarHBondContact CE-O 3.2Å; K418-E425 PolarHBondContact NZ-O 3.46Å; K418-W426 VanDerWaalsContact CE-CD1 3.45Å; K418-W426 PolarHBondContact NZ-O 2.83Å |
| 419 | Y | 85.9 | Confident | 89.3 | Confident | 152 Ų | 152 | 46.1 Ų | 46.1 | 60% | 0.596 | 26% | 0.257 | S | S | * | . | trans | -112.6 | 136.6 | -174 | -59.3 | -83.1 | 0 | 0 | 0 | 110.7 | D401 T417 W450 | D401-Y419 HydrophobicContact CB-CD1 4.09Å; D401-Y419 WeakPolarHBondContact OD1-CA 3.36Å; T417-Y419 HydrophobicContact CG2-CD1 4.11Å; T417-Y419 HydrophobicContact CG2-CE1 3.68Å; T417-Y419 HydrophobicContact CG2-CE2 4.35Å; Y419-W450 HydrophobicContact CD1-CE3 4.31Å; Y419-W450 HydrophobicContact CE1-CD2 4.4Å; Y419-W450 AromaticContact CE1-CE3 3.65Å; Y419-W450 HydrophobicContact CE1-CE3 3.65Å; Y419-W450 AromaticContact CE1-CZ3 3.83Å; Y419-W450 HydrophobicContact CE1-CZ3 3.83Å | ||
| 420 | G | 82.5 | Confident | 90.1 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 59.9 | 45.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F399 V400 D401 | F399-G420 VanDerWaalsContact CB-C 3.43Å; V400-G420 PolarHBondContact O-N 2.9Å; D401-G420 PolarHBondContact OD1-N 2.9Å |
| 421 | T | 85.6 | Confident | 91 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | trans | -149.9 | 132.4 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 113.7 | V400 P402 K418 H423 P424 | V400-T421 WeakPolarHBondContact CG2-O 3.2Å; V400-T421 PolarHBondContact O-N 2.87Å; P402-T421 WeakPolarHBondContact CD-O 3.4Å; K418-T421 HydrophobicContact CB-CG2 3.94Å; T421-H423 VanDerWaalsContact OG1-C 3.23Å; T421-H423 PolarHBondContact OG1-N 2.78Å; T421-H423 VanDerWaalsContact OG1-N 3.08Å; T421-H423 PolarHBondContact OG1-O 3.19Å; T421-P424 HydrophobicContact CG2-CB 3.99Å | ||
| 422 | D | 85.4 | Confident | 91.4 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -84.4 | -11.9 | 168.2 | 53.8 | -10.2 | 0 | 0 | 0 | 113.6 | L375 F399 P424 | L375-D422 WeakPolarHBondContact CB-O 3.42Å; L375-D422 PolarHBondContact N-O 3.4Å; L375-D422 VanDerWaalsContact N-O 3.16Å; L375-D422 WeakPolarHBondContact O-CB 3.24Å; F399-D422 HydrophobicContact CD1-CB 3.98Å; F399-D422 HydrophobicContact CE1-CB 4.49Å; F399-D422 WeakPolarHBondContact CE1-OD2 3.23Å; D422-P424 WeakPolarHBondContact O-CD 3.31Å |
| 423 | H | 91.3 | Very high | 91.4 | Very high | 76 Ų | 76 | 37.7 Ų | 37.7 | 35% | 0.352 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -120.1 | 66.6 | 174.5 | -62.3 | -82.6 | 0 | 0 | 0 | 111 | A372 E373 D374 T421 E425 | A372-H423 CarbonylContact O-C 3.59Å; A372-H423 WeakPolarHBondContact O-CA 3.38Å; E373-H423 WeakPolarHBondContact CA-ND1 3.27Å; E373-H423 WeakPolarHBondContact CB-ND1 3.28Å; D374-H423 IonicContact OD1-CE1 2.82Å; T421-H423 VanDerWaalsContact OG1-C 3.23Å; T421-H423 PolarHBondContact OG1-N 2.78Å; T421-H423 VanDerWaalsContact OG1-N 3.08Å; T421-H423 PolarHBondContact OG1-O 3.19Å; H423-E425 PolarHBondContact O-N 3.16Å |
| 424 | P | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | trans | -71.1 | 128.1 | -177.6 | 29.1 | -37.5 | 0 | 0 | 0 | 113 | M371 A372 L375 P402 K418 T421 D422 W426 | M371-P424 CarbonylContact C-O 3.49Å; M371-P424 WeakPolarHBondContact CA-O 3.33Å; M371-P424 WeakPolarHBondContact CB-O 3.39Å; A372-P424 HydrophobicContact CB-CG 3.99Å; A372-P424 PolarHBondContact N-O 3.09Å; A372-P424 WeakPolarHBondContact O-CD 3.43Å; L375-P424 HydrophobicContact CD1-CG 3.63Å; P402-P424 HydrophobicContact CB-CG 4.26Å; P402-P424 HydrophobicContact CG-CB 3.62Å; P402-P424 HydrophobicContact CG-CG 3.58Å; K418-P424 HydrophobicContact CB-CB 3.98Å; K418-P424 HydrophobicContact CG-CB 3.89Å; T421-P424 HydrophobicContact CG2-CB 3.99Å; D422-P424 WeakPolarHBondContact O-CD 3.31Å; P424-W426 HydrophobicContact CB-CE3 4.4Å; P424-W426 HydrophobicContact CB-CH2 3.8Å; P424-W426 HydrophobicContact CB-CZ2 3.89Å; P424-W426 HydrophobicContact CB-CZ3 4.07Å; P424-W426 HydrophobicContact CG-CE3 4.39Å; P424-W426 HydrophobicContact CG-CH2 3.29Å; P424-W426 HydrophobicContact CG-CZ2 3.86Å; P424-W426 HydrophobicContact CG-CZ3 3.61Å | ||
| 425 | E | 92.5 | Very high | 90.6 | Very high | 117 Ų | 117 | 34.3 Ų | 34.3 | 55% | 0.547 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.2 | 166 | -65.7 | -173.8 | -171.1 | 0 | 0 | 110.2 | M371 K418 H423 | M371-E425 HydrophobicContact CB-CG 4.15Å; K418-E425 WeakPolarHBondContact CD-O 3.25Å; K418-E425 WeakPolarHBondContact CE-O 3.2Å; K418-E425 PolarHBondContact NZ-O 3.46Å; H423-E425 PolarHBondContact O-N 3.16Å |
| 426 | W | 94.5 | Very high | 89.8 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -55.9 | 171.6 | -71.1 | -81.8 | 0 | 0 | 0 | 111.1 | L369 Y370 A372 P402 S415 S416 K418 P424 E428 F447 | L369-W426 HydrophobicContact CD1-CE3 4.04Å; L369-W426 HydrophobicContact CD1-CZ3 4.4Å; L369-W426 HydrophobicContact CD2-CB 4.01Å; L369-W426 HydrophobicContact CD2-CD2 3.72Å; L369-W426 HydrophobicContact CD2-CE3 3.88Å; L369-W426 HydrophobicContact CD2-CG 3.75Å; L369-W426 HydrophobicContact CG-CB 4.01Å; L369-W426 HydrophobicContact CG-CD2 4.08Å; L369-W426 HydrophobicContact CG-CE3 3.81Å; L369-W426 HydrophobicContact CG-CG 4.16Å; Y370-W426 PolarHBondContact O-N 2.68Å; A372-W426 HydrophobicContact CB-CH2 4.07Å; A372-W426 HydrophobicContact CB-CZ3 3.66Å; P402-W426 HydrophobicContact CB-CH2 4.45Å; P402-W426 HydrophobicContact CB-CZ2 4.17Å; P402-W426 HydrophobicContact CG-CZ2 4.4Å; S415-W426 PolarHBondContact OG-NE1 3.29Å; S416-W426 PolarHBondContact O-NE1 3.46Å; K418-W426 VanDerWaalsContact CE-CD1 3.45Å; K418-W426 PolarHBondContact NZ-O 2.83Å; P424-W426 HydrophobicContact CB-CE3 4.4Å; P424-W426 HydrophobicContact CB-CH2 3.8Å; P424-W426 HydrophobicContact CB-CZ2 3.89Å; P424-W426 HydrophobicContact CB-CZ3 4.07Å; P424-W426 HydrophobicContact CG-CE3 4.39Å; P424-W426 HydrophobicContact CG-CH2 3.29Å; P424-W426 HydrophobicContact CG-CZ2 3.86Å; P424-W426 HydrophobicContact CG-CZ3 3.61Å; W426-E428 VanDerWaalsContact C-N 3.34Å; W426-E428 HydrophobicContact CB-CB 4.34Å; W426-E428 HydrophobicContact CB-CG 4.25Å; W426-F447 AromaticContact CH2-CD1 3.76Å; W426-F447 HydrophobicContact CH2-CD1 3.76Å; W426-F447 AromaticContact CH2-CE1 3.56Å; W426-F447 HydrophobicContact CH2-CE1 3.56Å; W426-F447 HydrophobicContact CZ2-CD1 4.38Å; W426-F447 HydrophobicContact CZ2-CE1 4.32Å; W426-F447 HydrophobicContact CZ3-CD1 4.5Å; W426-F447 AromaticContact CZ3-CE1 3.87Å; W426-F447 HydrophobicContact CZ3-CE1 3.87Å |
| 427 | N | 94.8 | Very high | 89.1 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49 | 54.4 | -167.5 | -64 | -56.4 | 0 | 0 | 0 | 111.3 | L369 Y370 L541 V546 | L369-N427 WeakPolarHBondContact O-CA 3.41Å; L369-N427 PolarHBondContact O-N 3.19Å; L369-N427 VanDerWaalsContact O-N 3.12Å; Y370-N427 PolarHBondContact O-N 3.29Å; N427-L541 HydrophobicContact CB-CB 4.49Å; N427-L541 HydrophobicContact CB-CD1 4.36Å; N427-L541 WeakPolarHBondContact O-CB 3.5Å; N427-L541 PolarHBondContact O-N 2.97Å; N427-V546 HydrophobicContact CB-CG2 4.07Å |
| 428 | E | 96.7 | Very high | 88.4 | Confident | 24 Ų | 24 | 32.7 Ų | 32.7 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.7 | -176.8 | -72.7 | 176.3 | 170.8 | 0 | 0 | 111.9 | L369 S415 S416 W426 V538 K539 | L369-E428 PolarHBondContact N-O 3.31Å; L369-E428 PolarHBondContact O-N 3.01Å; S415-E428 WeakPolarHBondContact CB-OE2 3.4Å; S416-E428 WeakPolarHBondContact CB-OE1 3.29Å; S416-E428 PolarHBondContact N-OE2 3.36Å; S416-E428 VanDerWaalsContact OG-CD 3.28Å; S416-E428 PolarHBondContact OG-OE1 3.03Å; S416-E428 PolarHBondContact OG-OE2 2.81Å; W426-E428 VanDerWaalsContact C-N 3.34Å; W426-E428 HydrophobicContact CB-CB 4.34Å; W426-E428 HydrophobicContact CB-CG 4.25Å; E428-V538 HydrophobicContact CB-CG1 4.13Å; E428-V538 HydrophobicContact CG-CG1 4.33Å; E428-K539 CarbonylContact C-O 3.51Å; E428-K539 WeakPolarHBondContact CA-O 3.31Å |
| 429 | E | 95.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113 | 167.1 | -164.2 | 173.4 | 116.3 | 0 | 0 | 107.9 | V538 K539 L541 K545 | E429-V538 WeakPolarHBondContact O-CA 3.08Å; E429-K539 HydrophobicContact CB-CG 3.95Å; E429-K539 PolarHBondContact N-O 3.16Å; E429-K539 PolarHBondContact O-N 2.86Å; E429-K539 WeakPolarHBondContact OE1-CE 3.39Å; E429-K539 IonicContact OE1-NZ 2.74Å; E429-K539 PolarHBondContact OE1-NZ 2.85Å; E429-K539 IonicContact OE2-NZ 2.9Å; E429-L541 HydrophobicContact CB-CD2 3.76Å; E429-L541 HydrophobicContact CG-CD2 4.41Å; E429-K545 IonicContact OE2-NZ 3.96Å; E429-K545 PolarHBondContact OE2-NZ 2.73Å |
| 430 | I | 95.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 106.1 | 171.8 | -60.5 | 174.7 | 0 | 0 | 0 | 106.9 | I367 L369 V406 I413 V538 | I367-I430 HydrophobicContact CB-CB 4.23Å; I367-I430 PolarHBondContact N-O 2.84Å; I367-I430 PolarHBondContact O-N 3.39Å; L369-I430 HydrophobicContact CB-CD1 4.47Å; L369-I430 HydrophobicContact CD2-CD1 4.22Å; V406-I430 HydrophobicContact CG2-CD1 3.72Å; I413-I430 HydrophobicContact CB-CG2 4.1Å; I413-I430 HydrophobicContact CD1-CG2 4.1Å; I413-I430 HydrophobicContact CG2-CG2 3.8Å; I430-V538 HydrophobicContact CG1-CG1 4.17Å; I430-V538 HydrophobicContact CG1-CG2 4.15Å |
| 431 | T | 93.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 22.3 Ų | 22.3 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 115.3 | 172.2 | -58 | 0 | 0 | 0 | 0 | 108.7 | I364 D536 L537 | I364-T431 HydrophobicContact CB-CG2 3.93Å; I364-T431 HydrophobicContact CD1-CG2 4.02Å; I364-T431 HydrophobicContact CG2-CG2 3.73Å; T431-D536 WeakPolarHBondContact O-CA 3.46Å; T431-L537 PolarHBondContact N-O 2.7Å; T431-L537 PolarHBondContact O-N 2.7Å |
| 432 | M | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.6 | 175.3 | -172.9 | 179.4 | -68.5 | 0 | 0 | 109.8 | I364 F365 V406 F408 K411 I413 I434 | I364-M432 CarbonylContact C-O 3.58Å; I364-M432 VanDerWaalsContact CA-O 3.3Å; I364-M432 WeakPolarHBondContact CA-O 3.19Å; F365-M432 HydrophobicContact CB-CB 4.46Å; F365-M432 PolarHBondContact N-O 3.42Å; F365-M432 PolarHBondContact O-N 3.16Å; V406-M432 HydrophobicContact CB-CE 4.17Å; V406-M432 HydrophobicContact CG1-CE 3.74Å; F408-M432 HydrophobicContact CB-SD 3.76Å; K411-M432 HydrophobicContact CB-SD 4.49Å; K411-M432 HydrophobicContact CD-CG 4.37Å; I413-M432 HydrophobicContact CB-CE 4.34Å; I413-M432 HydrophobicContact CD1-CB 3.77Å; I413-M432 HydrophobicContact CD1-CE 3.75Å; I413-M432 HydrophobicContact CD1-CG 3.84Å; I413-M432 HydrophobicContact CG1-CE 3.94Å; M432-I434 HydrophobicContact CG-CG2 4.22Å |
| 433 | N | 87.6 | Confident | 87.8 | Confident | 23 Ų | 23 | 23.9 Ų | 23.9 | 12% | 0.123 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.3 | 173.4 | 175.2 | 14.1 | 0 | 0 | 0 | 110.1 | A363 I364 K411 P533 T534 D536 | A363-N433 WeakPolarHBondContact O-CA 3.16Å; A363-N433 PolarHBondContact O-OD1 2.81Å; I364-N433 HydrophobicContact CG2-CB 4.3Å; K411-N433 WeakPolarHBondContact CE-O 3.44Å; K411-N433 PolarHBondContact NZ-O 3.04Å; N433-P533 WeakPolarHBondContact ND2-CB 3.02Å; N433-T534 WeakPolarHBondContact CB-O 3.21Å; N433-T534 VanDerWaalsContact CG-O 3.27Å; N433-T534 PolarHBondContact ND2-O 2.87Å; N433-D536 WeakPolarHBondContact CB-OD1 3.45Å; N433-D536 PolarHBondContact N-OD1 3.33Å |
| 434 | I | 86.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.015 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 164 | -177.1 | 59.5 | 162.1 | 0 | 0 | 0 | 109.9 | A363 F365 F408 M432 | A363-I434 HydrophobicContact CB-CD1 4.4Å; A363-I434 HydrophobicContact CB-CG1 4.04Å; A363-I434 PolarHBondContact N-O 2.86Å; A363-I434 WeakPolarHBondContact O-CG1 3.37Å; A363-I434 PolarHBondContact O-N 3.38Å; A363-I434 VanDerWaalsContact O-O 3.07Å; F365-I434 HydrophobicContact CD1-CD1 3.6Å; F365-I434 HydrophobicContact CD2-CD1 4.09Å; F365-I434 HydrophobicContact CD2-CG2 4.27Å; F365-I434 HydrophobicContact CE1-CD1 3.41Å; F365-I434 VanDerWaalsContact CE1-CD1 3.41Å; F365-I434 HydrophobicContact CE2-CD1 3.94Å; F365-I434 HydrophobicContact CG-CD1 3.94Å; F365-I434 HydrophobicContact CZ-CD1 3.6Å; F408-I434 HydrophobicContact CD1-CG2 3.81Å; F408-I434 HydrophobicContact CE1-CG2 3.96Å; M432-I434 HydrophobicContact CG-CG2 4.22Å |
| 435 | Q | 82.5 | Confident | 87.8 | Confident | 36 Ų | 36 | 21.9 Ų | 21.9 | 17% | 0.168 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135.3 | 162.8 | -59.1 | -64.7 | -86.2 | 0 | 0 | 109.8 | E349 L360 P437 S438 | E349-Q435 WeakPolarHBondContact OE1-CB 3.41Å; E349-Q435 PolarHBondContact OE1-N 2.88Å; E349-Q435 VanDerWaalsContact OE1-N 3.08Å; L360-Q435 HydrophobicContact CB-CB 3.82Å; L360-Q435 HydrophobicContact CD1-CB 3.63Å; L360-Q435 HydrophobicContact CD1-CG 4.48Å; L360-Q435 HydrophobicContact CG-CB 4.37Å; Q435-P437 CarbonylContact C-O 3.55Å; Q435-P437 CarbonylContact O-C 3.58Å; Q435-P437 VanDerWaalsContact O-O 3.1Å; Q435-S438 WeakPolarHBondContact O-CA 3.4Å; Q435-S438 WeakPolarHBondContact O-CB 3.05Å |
| 436 | F | 77.6 | Confident | 87.9 | Confident | 17 Ų | 17 | 16.5 Ų | 16.5 | 8% | 0.075 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.8 | -178.6 | -166.8 | -92.9 | 0 | 0 | 0 | 114 | R361 A363 F472 L480 P481 T527 L529 | R361-F436 PolarHBondContact N-O 3.13Å; R361-F436 PolarHBondContact O-N 3.34Å; A363-F436 HydrophobicContact CB-CB 3.56Å; A363-F436 HydrophobicContact CB-CG 4.38Å; F436-F472 AromaticContact CE1-CE2 3.93Å; F436-F472 HydrophobicContact CE1-CE2 3.93Å; F436-F472 AromaticContact CE1-CZ 3.56Å; F436-F472 HydrophobicContact CE1-CZ 3.56Å; F436-F472 AromaticContact CZ-CE2 3.63Å; F436-F472 HydrophobicContact CZ-CE2 3.63Å; F436-F472 AromaticContact CZ-CZ 3.79Å; F436-F472 HydrophobicContact CZ-CZ 3.79Å; F436-L480 HydrophobicContact CD1-CD2 4.43Å; F436-L480 HydrophobicContact CE1-CD2 3.5Å; F436-L480 HydrophobicContact CE2-CD2 4.43Å; F436-L480 HydrophobicContact CZ-CD2 3.51Å; F436-P481 VanDerWaalsContact CE2-CD 3.49Å; F436-P481 HydrophobicContact CE2-CG 3.85Å; F436-T527 HydrophobicContact CD2-CG2 4.25Å; F436-T527 HydrophobicContact CE2-CG2 4.41Å; F436-L529 HydrophobicContact CB-CD2 3.96Å; F436-L529 HydrophobicContact CD1-CD2 3.51Å; F436-L529 HydrophobicContact CE1-CD2 4.19Å; F436-L529 HydrophobicContact CG-CD2 3.74Å |
| 437 | P | 76.3 | Confident | 87.9 | Confident | 12 Ų | 12 | 16.1 Ų | 16.1 | 8% | 0.078 | 8% | 0.078 | C | C | . | . | S | Bend | cis | -58.5 | 162.5 | -12.2 | 24.5 | -32.3 | 0 | 0 | 0 | 111.6 | A317 Y320 Q435 F472 | A317-P437 HydrophobicContact CB-CG 3.43Å; A317-P437 VanDerWaalsContact CB-CG 3.43Å; Y320-P437 HydrophobicContact CE2-CB 4.22Å; Y320-P437 HydrophobicContact CE2-CG 4.26Å; Y320-P437 VanDerWaalsContact OH-C 3.25Å; Y320-P437 PolarHBondContact OH-O 3.43Å; Q435-P437 CarbonylContact C-O 3.55Å; Q435-P437 CarbonylContact O-C 3.58Å; Q435-P437 VanDerWaalsContact O-O 3.1Å; P437-F472 HydrophobicContact CB-CE2 3.99Å; P437-F472 HydrophobicContact CB-CZ 3.9Å; P437-F472 HydrophobicContact CG-CZ 4.11Å |
| 438 | S | 77.1 | Confident | 87.8 | Confident | 6 Ų | 6 | 15.7 Ų | 15.7 | 4% | 0.042 | 8% | 0.075 | C | C | . | . | trans | -108.3 | 137.2 | 178.8 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | Q214 F408 Q435 C440 | Q214-S438 PolarHBondContact NE2-O 2.82Å; Q214-S438 PolarHBondContact OE1-O 2.85Å; F408-S438 WeakPolarHBondContact CE1-OG 3.49Å; F408-S438 WeakPolarHBondContact CZ-OG 3.26Å; Q435-S438 WeakPolarHBondContact O-CA 3.4Å; Q435-S438 WeakPolarHBondContact O-CB 3.05Å; S438-C440 VanDerWaalsContact C-N 3.3Å | ||
| 439 | M | 77.6 | Confident | 87.4 | Confident | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.03 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -70.2 | -26.5 | 177.4 | 173.3 | -84.7 | -72.8 | 0 | 0 | 113 | R213 W304 Y320 E346 I348 N351 E441 | R213-M439 PolarHBondContact NH1-O 2.88Å; W304-M439 HydrophobicContact CB-CE 4.49Å; W304-M439 HydrophobicContact CB-CG 3.94Å; W304-M439 HydrophobicContact CD2-CG 3.65Å; W304-M439 HydrophobicContact CD2-SD 4.02Å; W304-M439 HydrophobicContact CE3-CG 4.19Å; W304-M439 HydrophobicContact CG-CE 4.08Å; W304-M439 HydrophobicContact CG-CG 3.53Å; W304-M439 HydrophobicContact CG-SD 3.79Å; W304-M439 PolarHBondContact NE1-SD 2.64Å; Y320-M439 HydrophobicContact CD1-CB 3.83Å; Y320-M439 HydrophobicContact CD1-CG 4.12Å; Y320-M439 HydrophobicContact CD2-CB 4.35Å; Y320-M439 HydrophobicContact CE1-CB 3.77Å; Y320-M439 HydrophobicContact CE2-CB 4.31Å; Y320-M439 HydrophobicContact CG-CB 4.12Å; Y320-M439 HydrophobicContact CG-CG 4.28Å; E346-M439 WeakPolarHBondContact O-CE 3.35Å; I348-M439 VanDerWaalsContact O-CE 3.23Å; I348-M439 WeakPolarHBondContact O-CE 3.15Å; N351-M439 HydrophobicContact CB-CE 4.45Å; M439-E441 PolarHBondContact O-N 2.84Å |
| 440 | C | 79.2 | Confident | 86.9 | Confident | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.034 | 8% | 0.082 | C | C | . | . | trans | -69.5 | 126.2 | -178.9 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | D347 F408 A409 S438 | D347-C440 HydrophobicContact CB-CB 4.37Å; F408-C440 HydrophobicContact CD2-CB 4.12Å; F408-C440 WeakPolarHBondContact CD2-SG 3.05Å; F408-C440 HydrophobicContact CE1-CB 4.31Å; F408-C440 HydrophobicContact CE2-CB 3.67Å; F408-C440 VanDerWaalsContact CE2-O 3.31Å; F408-C440 WeakPolarHBondContact CE2-O 3.46Å; F408-C440 WeakPolarHBondContact CE2-SG 3.29Å; F408-C440 HydrophobicContact CZ-CB 3.77Å; F408-C440 WeakPolarHBondContact CZ-O 3.18Å; A409-C440 HydrophobicContact CB-CB 3.76Å; A409-C440 PolarHBondContact N-SG 2.84Å; S438-C440 VanDerWaalsContact C-N 3.3Å | ||
| 441 | E | 81.8 | Confident | 86.1 | Confident | 18 Ų | 18 | 18.9 Ų | 18.9 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | trans | -91.7 | -28.6 | -174.5 | -177.7 | 48.8 | -135 | 0 | 0 | 112.7 | D347 M439 S465 I466 S467 | D347-E441 PolarHBondContact OD2-N 3.41Å; D347-E441 VanDerWaalsContact OD2-N 3.09Å; M439-E441 PolarHBondContact O-N 2.84Å; E441-S465 CarbonylContact O-C 3.02Å; E441-S465 WeakPolarHBondContact O-CA 3.3Å; E441-S465 VanDerWaalsContact OE1-C 3.28Å; E441-S465 WeakPolarHBondContact OE1-CA 3.26Å; E441-S465 WeakPolarHBondContact OE1-CB 3.5Å; E441-S465 PolarHBondContact OE1-OG 3.35Å; E441-I466 PolarHBondContact O-N 2.82Å; E441-I466 PolarHBondContact OE1-N 3.15Å; E441-S467 WeakPolarHBondContact OE1-CB 3.33Å; E441-S467 PolarHBondContact OE1-N 2.96Å; E441-S467 PolarHBondContact OE1-OG 2.91Å; E441-S467 PolarHBondContact OE2-N 3.42Å | ||
| 442 | K | 87.4 | Confident | 84.7 | Confident | 100 Ų | 100 | 27.2 Ų | 27.2 | 44% | 0.435 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 108.6 | -170.6 | -65.6 | 170.5 | -172.6 | 166.4 | 0 | 111.5 | D343 V463 | D343-K442 IonicContact OD2-NZ 2.79Å; D343-K442 PolarHBondContact OD2-NZ 2.72Å; K442-V463 HydrophobicContact CB-CG1 3.8Å; K442-V463 HydrophobicContact CG-CG1 4.03Å |
| 443 | L | 90.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 113.2 | 167 | 175.6 | 61 | 0 | 0 | 0 | 109.1 | F365 I367 V406 F408 F445 V463 I464 I466 L525 | F365-L443 HydrophobicContact CD2-CD2 4.47Å; F365-L443 HydrophobicContact CE2-CD2 4.49Å; I367-L443 HydrophobicContact CD1-CD1 4.3Å; I367-L443 HydrophobicContact CD1-CD2 4.28Å; V406-L443 HydrophobicContact CG1-CD1 3.89Å; F408-L443 HydrophobicContact CB-CD1 3.72Å; F408-L443 HydrophobicContact CD2-CB 3.93Å; F408-L443 HydrophobicContact CD2-CD1 4.1Å; F408-L443 HydrophobicContact CE2-CB 4.39Å; F408-L443 HydrophobicContact CG-CD1 4.1Å; L443-F445 HydrophobicContact CD1-CZ 4.33Å; L443-F445 HydrophobicContact CD2-CE2 3.95Å; L443-F445 HydrophobicContact CD2-CZ 3.72Å; L443-F445 HydrophobicContact CG-CE2 3.66Å; L443-F445 HydrophobicContact CG-CZ 3.74Å; L443-V463 WeakPolarHBondContact O-CA 3.18Å; L443-I464 HydrophobicContact CB-CB 4.42Å; L443-I464 HydrophobicContact CD2-CD1 4.46Å; L443-I464 PolarHBondContact N-O 2.92Å; L443-I464 PolarHBondContact O-N 3.21Å; L443-I466 HydrophobicContact CB-CD1 4.17Å; L443-L525 HydrophobicContact CD2-CD2 3.75Å |
| 444 | K | 91.9 | Very high | 82 | Confident | 34 Ų | 34 | 34.6 Ų | 34.6 | 15% | 0.148 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.3 | -167.8 | -169.7 | -178.2 | -169.8 | -178.7 | 0 | 111.3 | E344 V406 S407 T461 V463 L509 | E344-K444 IonicContact OE1-NZ 3.77Å; E344-K444 PolarHBondContact OE1-NZ 3.36Å; V406-K444 CarbonylContact C-O 3.45Å; V406-K444 WeakPolarHBondContact CA-O 3.27Å; S407-K444 PolarHBondContact N-O 3.13Å; S407-K444 PolarHBondContact O-N 2.97Å; K444-T461 HydrophobicContact CD-CG2 4.3Å; K444-T461 HydrophobicContact CG-CG2 3.67Å; K444-V463 HydrophobicContact CG-CG2 4.35Å; K444-L509 VanDerWaalsContact CE-O 3.22Å; K444-L509 WeakPolarHBondContact CE-O 3.41Å; K444-L509 PolarHBondContact NZ-O 2.69Å |
| 445 | F | 94.3 | Very high | 81.1 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 99 | 176 | -59.7 | -88.7 | 0 | 0 | 0 | 108.5 | I367 V406 L443 F447 T461 G462 I464 I488 L523 | I367-F445 HydrophobicContact CD1-CE1 4.28Å; I367-F445 HydrophobicContact CD1-CZ 4.35Å; I367-F445 HydrophobicContact CG2-CE1 3.93Å; I367-F445 HydrophobicContact CG2-CZ 4.5Å; V406-F445 HydrophobicContact CG1-CD1 4.28Å; V406-F445 HydrophobicContact CG1-CE1 3.93Å; V406-F445 HydrophobicContact CG2-CD1 3.92Å; V406-F445 HydrophobicContact CG2-CE1 4.01Å; L443-F445 HydrophobicContact CD1-CZ 4.33Å; L443-F445 HydrophobicContact CD2-CE2 3.95Å; L443-F445 HydrophobicContact CD2-CZ 3.72Å; L443-F445 HydrophobicContact CG-CE2 3.66Å; L443-F445 HydrophobicContact CG-CZ 3.74Å; F445-F447 HydrophobicContact CB-CE2 3.93Å; F445-T461 CarbonylContact O-C 3.43Å; F445-T461 WeakPolarHBondContact O-CA 3.25Å; F445-G462 PolarHBondContact N-O 2.97Å; F445-G462 PolarHBondContact O-N 2.87Å; F445-I464 HydrophobicContact CE2-CD1 3.58Å; F445-I464 HydrophobicContact CE2-CG1 3.85Å; F445-I464 HydrophobicContact CZ-CD1 4.13Å; F445-I488 HydrophobicContact CE2-CD1 4.48Å; F445-L523 HydrophobicContact CD1-CD2 3.76Å; F445-L523 HydrophobicContact CD2-CD2 4.32Å; F445-L523 HydrophobicContact CE1-CD2 3.53Å; F445-L523 HydrophobicContact CE2-CD2 4.11Å; F445-L523 HydrophobicContact CG-CD2 4.15Å; F445-L523 HydrophobicContact CZ-CD1 4.33Å; F445-L523 HydrophobicContact CZ-CD2 3.71Å |
| 446 | T | 93.8 | Very high | 81.1 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.3 | 179.7 | -47 | 0 | 0 | 0 | 0 | 109.3 | L405 F448 L509 | L405-T446 PolarHBondContact N-O 2.88Å; L405-T446 PolarHBondContact O-N 3.47Å; T446-F448 HydrophobicContact CG2-CD2 4.06Å; T446-F448 HydrophobicContact CG2-CE1 4.41Å; T446-F448 HydrophobicContact CG2-CE2 3.37Å; T446-F448 HydrophobicContact CG2-CZ 3.58Å; T446-L509 HydrophobicContact CG2-CD2 4.23Å |
| 447 | F | 94.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 138.3 | 178 | -66.9 | -93.2 | 0 | 0 | 0 | 110 | Y403 A404 W426 F445 I459 G460 L490 V521 | Y403-F447 WeakPolarHBondContact O-CA 3.2Å; A404-F447 HydrophobicContact CB-CD1 4.07Å; A404-F447 HydrophobicContact CB-CE1 3.54Å; A404-F447 HydrophobicContact CB-CZ 3.98Å; W426-F447 AromaticContact CH2-CD1 3.76Å; W426-F447 HydrophobicContact CH2-CD1 3.76Å; W426-F447 AromaticContact CH2-CE1 3.56Å; W426-F447 HydrophobicContact CH2-CE1 3.56Å; W426-F447 HydrophobicContact CZ2-CD1 4.38Å; W426-F447 HydrophobicContact CZ2-CE1 4.32Å; W426-F447 HydrophobicContact CZ3-CD1 4.5Å; W426-F447 AromaticContact CZ3-CE1 3.87Å; W426-F447 HydrophobicContact CZ3-CE1 3.87Å; F445-F447 HydrophobicContact CB-CE2 3.93Å; F447-I459 HydrophobicContact CB-CB 4.22Å; F447-I459 PolarHBondContact O-N 3.29Å; F447-G460 PolarHBondContact N-O 3.01Å; F447-L490 HydrophobicContact CD2-CD1 3.57Å; F447-L490 HydrophobicContact CD2-CD2 3.92Å; F447-L490 HydrophobicContact CD2-CG 4.43Å; F447-L490 HydrophobicContact CE2-CD1 4.05Å; F447-L490 HydrophobicContact CE2-CD2 3.92Å; F447-L490 HydrophobicContact CG-CD1 4.12Å; F447-V521 HydrophobicContact CE1-CB 4.49Å; F447-V521 HydrophobicContact CE1-CG2 4.31Å; F447-V521 HydrophobicContact CE2-CB 4.18Å; F447-V521 HydrophobicContact CE2-CG1 3.86Å; F447-V521 HydrophobicContact CZ-CB 3.76Å; F447-V521 HydrophobicContact CZ-CG1 3.83Å; F447-V521 HydrophobicContact CZ-CG2 3.73Å |
| 448 | F | 92.1 | Very high | 82 | Confident | 27 Ų | 27 | 43 Ų | 43 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.1 | -176.2 | -72.3 | -85.7 | 0 | 0 | 0 | 110.5 | P402 Y403 L405 T446 N456 D457 P458 L509 | P402-F448 WeakPolarHBondContact CA-O 3.44Å; Y403-F448 HydrophobicContact CD1-CB 4.05Å; Y403-F448 HydrophobicContact CD2-CB 4.39Å; Y403-F448 HydrophobicContact CE1-CB 3.48Å; Y403-F448 VanDerWaalsContact CE1-CB 3.48Å; Y403-F448 HydrophobicContact CE1-CG 4.41Å; Y403-F448 HydrophobicContact CE2-CB 3.85Å; Y403-F448 AromaticContact CE2-CD2 3.77Å; Y403-F448 HydrophobicContact CE2-CD2 3.77Å; Y403-F448 HydrophobicContact CE2-CG 4.12Å; Y403-F448 HydrophobicContact CG-CB 4.49Å; Y403-F448 AromaticContact CZ-CD2 3.93Å; Y403-F448 AromaticContact CZ-CG 3.81Å; Y403-F448 PolarHBondContact N-O 3.38Å; Y403-F448 PolarHBondContact O-N 2.57Å; L405-F448 HydrophobicContact CB-CD2 4.14Å; L405-F448 HydrophobicContact CB-CE2 3.94Å; L405-F448 HydrophobicContact CD2-CE2 3.84Å; T446-F448 HydrophobicContact CG2-CD2 4.06Å; T446-F448 HydrophobicContact CG2-CE1 4.41Å; T446-F448 HydrophobicContact CG2-CE2 3.37Å; T446-F448 HydrophobicContact CG2-CZ 3.58Å; F448-N456 HydrophobicContact CB-CB 4.24Å; F448-N456 HydrophobicContact CD1-CB 4.25Å; F448-N456 WeakPolarHBondContact CD1-O 3.44Å; F448-D457 CarbonylContact C-O 3.47Å; F448-D457 WeakPolarHBondContact CA-O 3.17Å; F448-P458 HydrophobicContact CD1-CB 4.14Å; F448-P458 HydrophobicContact CE1-CB 3.9Å; F448-L509 HydrophobicContact CE1-CD2 4.13Å; F448-L509 HydrophobicContact CZ-CD2 4.03Å |
| 449 | D | 89.3 | Confident | 82.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.8 | 166.1 | -167.4 | 1.7 | 0 | 0 | 0 | 108.5 | M378 V400 D401 N456 D457 I459 | M378-D449 HydrophobicContact CB-CB 4.23Å; M378-D449 HydrophobicContact CG-CB 3.81Å; V400-D449 HydrophobicContact CB-CB 4.4Å; V400-D449 HydrophobicContact CG1-CB 4.31Å; V400-D449 WeakPolarHBondContact CG1-OD2 3.4Å; D401-D449 PolarHBondContact N-OD1 3.22Å; D449-N456 CarbonylContact O-C 3.56Å; D449-N456 VanDerWaalsContact O-CA 3.23Å; D449-N456 WeakPolarHBondContact O-CA 3.32Å; D449-N456 WeakPolarHBondContact O-CB 3.5Å; D449-D457 PolarHBondContact N-O 2.78Å; D449-D457 PolarHBondContact O-N 2.81Å; D449-I459 HydrophobicContact CB-CD1 4.19Å; D449-I459 HydrophobicContact CB-CG1 4.21Å |
| 450 | W | 85.4 | Confident | 83.3 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 27% | 0.269 | 21% | 0.205 | S | C | . | . | trans | -80.8 | 122.7 | -179.7 | 176.5 | 74 | 0 | 0 | 0 | 111.1 | D401 Y403 T417 Y419 R452 | D401-W450 HydrophobicContact CB-CB 4.07Å; D401-W450 HydrophobicContact CB-CE3 4.49Å; D401-W450 WeakPolarHBondContact O-CB 3.27Å; D401-W450 PolarHBondContact O-N 2.66Å; Y403-W450 HydrophobicContact CD1-CB 4.04Å; Y403-W450 HydrophobicContact CE1-CB 4.18Å; T417-W450 HydrophobicContact CG2-CB 3.69Å; T417-W450 HydrophobicContact CG2-CG 4.14Å; Y419-W450 HydrophobicContact CD1-CE3 4.31Å; Y419-W450 HydrophobicContact CE1-CD2 4.4Å; Y419-W450 AromaticContact CE1-CE3 3.65Å; Y419-W450 HydrophobicContact CE1-CE3 3.65Å; Y419-W450 AromaticContact CE1-CZ3 3.83Å; Y419-W450 HydrophobicContact CE1-CZ3 3.83Å; W450-R452 HydrophobicContact CH2-CB 3.84Å; W450-R452 HydrophobicContact CH2-CG 4.34Å; W450-R452 HydrophobicContact CZ2-CB 4.46Å; W450-R452 HydrophobicContact CZ3-CB 4.2Å | ||
| 451 | D | 77.8 | Confident | 84 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | trans | -109.8 | 135.3 | 178.9 | -117.7 | -33 | 0 | 0 | 0 | 113.2 | K387 I453 N456 | K387-D451 VanDerWaalsContact CE-OD1 3.22Å; K387-D451 WeakPolarHBondContact CE-OD1 3.39Å; K387-D451 IonicContact NZ-OD1 3.02Å; K387-D451 PolarHBondContact NZ-OD1 2.79Å; K387-D451 IonicContact NZ-OD2 2.69Å; K387-D451 PolarHBondContact NZ-OD2 3.49Å; D451-I453 VanDerWaalsContact C-N 3.28Å; D451-I453 PolarHBondContact O-N 3Å; D451-N456 PolarHBondContact N-OD1 3.06Å | ||
| 452 | R | 63.9 | Low | 84.5 | Confident | 185 Ų | 185 | 42.1 Ų | 42.1 | 70% | 0.698 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -69.7 | -29.1 | 175.9 | -178.4 | 179.1 | -81 | -173.2 | -2.4 | 111.6 | W450 | W450-R452 HydrophobicContact CH2-CB 3.84Å; W450-R452 HydrophobicContact CH2-CG 4.34Å; W450-R452 HydrophobicContact CZ2-CB 4.46Å; W450-R452 HydrophobicContact CZ3-CB 4.2Å |
| 453 | I | 58.8 | Low | 84.6 | Confident | 114 Ų | 114 | 41 Ų | 41 | 59% | 0.585 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -141.4 | 109.7 | 179.7 | -55.9 | 175.6 | 0 | 0 | 0 | 107.9 | D451 | D451-I453 VanDerWaalsContact C-N 3.28Å; D451-I453 PolarHBondContact O-N 3Å |
| 454 | G | 63.7 | Low | 84.6 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 66% | 0.66 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 143.1 | -160.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 455 | Y | 67.3 | Low | 84.5 | Confident | 145 Ų | 145 | 41 Ų | 41 | 57% | 0.569 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -92.6 | 151.7 | 156.8 | -72 | -76.7 | 0 | 0 | 0 | 107.9 | K111 | K111-Y455 WeakPolarHBondContact CD-OH 2.98Å; K111-Y455 PolarHBondContact NZ-OH 3.16Å |
| 456 | N | 81.5 | Confident | 84.1 | Confident | 45 Ų | 45 | 41.1 Ų | 41.1 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 123.3 | 173.2 | -64 | -19.5 | 0 | 0 | 0 | 108.4 | Y403 F448 D449 D451 | Y403-N456 HydrophobicContact CE1-CB 4.23Å; Y403-N456 WeakPolarHBondContact CE1-ND2 3.29Å; Y403-N456 PolarHBondContact OH-ND2 3.02Å; F448-N456 HydrophobicContact CB-CB 4.24Å; F448-N456 HydrophobicContact CD1-CB 4.25Å; F448-N456 WeakPolarHBondContact CD1-O 3.44Å; D449-N456 CarbonylContact O-C 3.56Å; D449-N456 VanDerWaalsContact O-CA 3.23Å; D449-N456 WeakPolarHBondContact O-CA 3.32Å; D449-N456 WeakPolarHBondContact O-CB 3.5Å; D451-N456 PolarHBondContact N-OD1 3.06Å |
| 457 | D | 84.7 | Confident | 83.5 | Confident | 52 Ų | 52 | 42.9 Ų | 42.9 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131.2 | -173.8 | -72.4 | -24.8 | 0 | 0 | 0 | 111.2 | M378 F448 D449 I459 | M378-D457 HydrophobicContact CB-CB 4.22Å; M378-D457 HydrophobicContact CE-CB 3.74Å; M378-D457 HydrophobicContact CG-CB 4.35Å; F448-D457 CarbonylContact C-O 3.47Å; F448-D457 WeakPolarHBondContact CA-O 3.17Å; D449-D457 PolarHBondContact N-O 2.78Å; D449-D457 PolarHBondContact O-N 2.81Å; D457-I459 PolarHBondContact O-N 2.85Å |
| 458 | P | 89.6 | Confident | 83.1 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 119.1 | 177.5 | 28.8 | -32.9 | 0 | 0 | 0 | 110.4 | M378 F448 E505 N508 L509 | M378-P458 WeakPolarHBondContact CE-O 3.17Å; F448-P458 HydrophobicContact CD1-CB 4.14Å; F448-P458 HydrophobicContact CE1-CB 3.9Å; P458-E505 WeakPolarHBondContact CD-OE1 3.24Å; P458-E505 HydrophobicContact CG-CG 3.86Å; P458-N508 HydrophobicContact CB-CB 3.85Å; P458-N508 HydrophobicContact CG-CB 3.99Å; P458-N508 WeakPolarHBondContact O-CB 3.47Å; P458-N508 PolarHBondContact O-ND2 2.9Å; P458-L509 HydrophobicContact CB-CD2 3.59Å; P458-L509 HydrophobicContact CB-CG 3.96Å; P458-L509 HydrophobicContact CG-CD2 4Å; P458-L509 HydrophobicContact CG-CG 3.97Å |
| 459 | I | 90.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -46.5 | -179.1 | -57.3 | 176.2 | 0 | 0 | 0 | 110.5 | L375 P376 M378 V400 P402 F447 D449 D457 R518 | L375-I459 HydrophobicContact CD2-CG2 4.33Å; P376-I459 HydrophobicContact CG-CG2 3.84Å; M378-I459 HydrophobicContact CG-CG1 3.93Å; M378-I459 HydrophobicContact SD-CB 4.3Å; M378-I459 HydrophobicContact SD-CG1 4.04Å; M378-I459 HydrophobicContact SD-CG2 4.39Å; V400-I459 HydrophobicContact CB-CD1 4.32Å; V400-I459 HydrophobicContact CG1-CD1 4.41Å; V400-I459 HydrophobicContact CG2-CD1 4.34Å; P402-I459 HydrophobicContact CB-CD1 4.16Å; F447-I459 HydrophobicContact CB-CB 4.22Å; F447-I459 PolarHBondContact O-N 3.29Å; D449-I459 HydrophobicContact CB-CD1 4.19Å; D449-I459 HydrophobicContact CB-CG1 4.21Å; D457-I459 PolarHBondContact O-N 2.85Å; I459-R518 WeakPolarHBondContact O-CB 3.39Å; I459-R518 PolarHBondContact O-NE 3.4Å |
| 460 | G | 91.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | 163 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F447 N508 | F447-G460 PolarHBondContact N-O 3.01Å; G460-N508 CarbonylContact C-O 3.6Å; G460-N508 WeakPolarHBondContact CA-O 3.24Å |
| 461 | T | 93.4 | Very high | 82.2 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.1 | -179.2 | -64 | 0 | 0 | 0 | 0 | 111.1 | K444 F445 V463 N508 L509 G510 | K444-T461 HydrophobicContact CD-CG2 4.3Å; K444-T461 HydrophobicContact CG-CG2 3.67Å; F445-T461 CarbonylContact O-C 3.43Å; F445-T461 WeakPolarHBondContact O-CA 3.25Å; T461-V463 HydrophobicContact CG2-CG2 3.98Å; T461-N508 WeakPolarHBondContact CB-O 3.27Å; T461-N508 PolarHBondContact N-O 3.3Å; T461-N508 PolarHBondContact OG1-O 3.1Å; T461-L509 VanDerWaalsContact OG1-C 3.25Å; T461-L509 WeakPolarHBondContact OG1-CA 3.35Å; T461-G510 PolarHBondContact OG1-N 2.99Å |
| 462 | G | 91.6 | Very high | 81.6 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F445 L490 | F445-G462 PolarHBondContact N-O 2.97Å; F445-G462 PolarHBondContact O-N 2.87Å; G462-L490 VanDerWaalsContact N-CD2 3.32Å |
| 463 | V | 90.8 | Very high | 81.5 | Confident | 76 Ų | 76 | 38.5 Ų | 38.5 | 46% | 0.461 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.6 | 178 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | K442 L443 K444 T461 | K442-V463 HydrophobicContact CB-CG1 3.8Å; K442-V463 HydrophobicContact CG-CG1 4.03Å; L443-V463 WeakPolarHBondContact O-CA 3.18Å; K444-V463 HydrophobicContact CG-CG2 4.35Å; T461-V463 HydrophobicContact CG2-CG2 3.98Å |
| 464 | I | 90.1 | Very high | 81.3 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.3 | 168 | -54.4 | 175.1 | 0 | 0 | 0 | 108.2 | L443 F445 I469 F483 I488 L523 | L443-I464 HydrophobicContact CB-CB 4.42Å; L443-I464 HydrophobicContact CD2-CD1 4.46Å; L443-I464 PolarHBondContact N-O 2.92Å; L443-I464 PolarHBondContact O-N 3.21Å; F445-I464 HydrophobicContact CE2-CD1 3.58Å; F445-I464 HydrophobicContact CE2-CG1 3.85Å; F445-I464 HydrophobicContact CZ-CD1 4.13Å; I464-I469 HydrophobicContact CG2-CB 4.36Å; I464-I469 HydrophobicContact CG2-CD1 3.77Å; I464-I469 HydrophobicContact CG2-CG1 3.92Å; I464-I469 HydrophobicContact CG2-CG2 3.54Å; I464-F483 HydrophobicContact CD1-CB 4.45Å; I464-F483 HydrophobicContact CD1-CD1 4.13Å; I464-F483 HydrophobicContact CD1-CD2 4.3Å; I464-F483 HydrophobicContact CD1-CE1 4.49Å; I464-F483 HydrophobicContact CD1-CG 4.04Å; I464-I488 HydrophobicContact CD1-CD1 3.58Å; I464-I488 HydrophobicContact CG1-CD1 3.55Å; I464-L523 HydrophobicContact CD1-CD1 4.22Å |
| 465 | S | 88.9 | Confident | 80.7 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.9 | 171.3 | -140.2 | 0 | 0 | 0 | 0 | 109.3 | E441 S467 Q468 I469 | E441-S465 CarbonylContact O-C 3.02Å; E441-S465 WeakPolarHBondContact O-CA 3.3Å; E441-S465 VanDerWaalsContact OE1-C 3.28Å; E441-S465 WeakPolarHBondContact OE1-CA 3.26Å; E441-S465 WeakPolarHBondContact OE1-CB 3.5Å; E441-S465 PolarHBondContact OE1-OG 3.35Å; S465-S467 VanDerWaalsContact C-N 3.26Å; S465-S467 PolarHBondContact O-N 2.96Å; S465-Q468 VanDerWaalsContact CB-CD 3.5Å; S465-Q468 WeakPolarHBondContact O-CB 3.37Å; S465-Q468 PolarHBondContact O-N 2.82Å; S465-I469 PolarHBondContact O-N 3.44Å |
| 466 | I | 86.6 | Confident | 79.9 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -60 | -36.6 | -178.5 | -61.2 | -55.4 | 0 | 0 | 0 | 111.6 | F365 F408 E441 L443 Q468 I469 S470 P481 | F365-I466 HydrophobicContact CE2-CD1 4.11Å; F365-I466 HydrophobicContact CZ-CD1 3.86Å; F408-I466 HydrophobicContact CE2-CD1 3.96Å; F408-I466 HydrophobicContact CE2-CG1 3.69Å; F408-I466 HydrophobicContact CZ-CD1 4.29Å; F408-I466 HydrophobicContact CZ-CG1 4.03Å; E441-I466 PolarHBondContact O-N 2.82Å; E441-I466 PolarHBondContact OE1-N 3.15Å; L443-I466 HydrophobicContact CB-CD1 4.17Å; I466-Q468 PolarHBondContact O-N 2.98Å; I466-I469 HydrophobicContact CD1-CD1 4.22Å; I466-I469 PolarHBondContact O-N 3.17Å; I466-S470 PolarHBondContact O-N 3.25Å; I466-S470 PolarHBondContact O-OG 3.25Å; I466-P481 HydrophobicContact CG2-CB 4.48Å; I466-P481 HydrophobicContact CG2-CG 3.95Å |
| 467 | S | 80.4 | Confident | 78.9 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -67.8 | -18.2 | 177.6 | 82.9 | 0 | 0 | 0 | 0 | 114 | E441 S465 | E441-S467 WeakPolarHBondContact OE1-CB 3.33Å; E441-S467 PolarHBondContact OE1-N 2.96Å; E441-S467 PolarHBondContact OE1-OG 2.91Å; E441-S467 PolarHBondContact OE2-N 3.42Å; S465-S467 VanDerWaalsContact C-N 3.26Å; S465-S467 PolarHBondContact O-N 2.96Å |
| 468 | Q | 86.3 | Confident | 78.3 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -90.7 | -18.3 | 177.3 | -65.7 | 173.6 | -8.7 | 0 | 0 | 112.3 | S465 I466 M704 I752 P754 | S465-Q468 VanDerWaalsContact CB-CD 3.5Å; S465-Q468 WeakPolarHBondContact O-CB 3.37Å; S465-Q468 PolarHBondContact O-N 2.82Å; I466-Q468 PolarHBondContact O-N 2.98Å; Q468-M704 WeakPolarHBondContact O-CE 3.4Å; Q468-I752 HydrophobicContact CG-CG2 4.02Å; Q468-P754 HydrophobicContact CB-CB 4.35Å |
| 469 | I | 89.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -112.2 | 12.9 | -177.5 | 64.9 | 151.3 | 0 | 0 | 0 | 114.3 | I464 S465 I466 F479 P481 T482 F483 L525 M704 P754 | I464-I469 HydrophobicContact CG2-CB 4.36Å; I464-I469 HydrophobicContact CG2-CD1 3.77Å; I464-I469 HydrophobicContact CG2-CG1 3.92Å; I464-I469 HydrophobicContact CG2-CG2 3.54Å; S465-I469 PolarHBondContact O-N 3.44Å; I466-I469 HydrophobicContact CD1-CD1 4.22Å; I466-I469 PolarHBondContact O-N 3.17Å; I469-F479 WeakPolarHBondContact O-CE2 3.05Å; I469-P481 HydrophobicContact CD1-CB 3.78Å; I469-P481 HydrophobicContact CG1-CB 4.22Å; I469-P481 VanDerWaalsContact O-CA 3.29Å; I469-P481 WeakPolarHBondContact O-CA 3.29Å; I469-T482 PolarHBondContact O-N 3.06Å; I469-F483 HydrophobicContact CD1-CB 4.4Å; I469-F483 HydrophobicContact CG2-CB 4.26Å; I469-F483 HydrophobicContact CG2-CD2 4.09Å; I469-L525 HydrophobicContact CD1-CD2 3.48Å; I469-L525 VanDerWaalsContact CD1-CD2 3.48Å; I469-M704 HydrophobicContact CB-CE 4.25Å; I469-M704 HydrophobicContact CG2-CE 4.24Å; I469-P754 HydrophobicContact CG2-CB 3.9Å; I469-P754 HydrophobicContact CG2-CG 4.01Å |
| 470 | S | 85.5 | Confident | 77.9 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 12% | 0.119 | 26% | 0.255 | C | S | . | . | trans | -147.5 | 159.6 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | I466 | I466-S470 PolarHBondContact O-N 3.25Å; I466-S470 PolarHBondContact O-OG 3.25Å | ||
| 471 | A | 73.8 | Confident | 77.9 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -141.2 | 115.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | G478 F479 | A471-G478 CarbonylContact O-C 3.53Å; A471-G478 WeakPolarHBondContact O-CA 3.32Å; A471-F479 HydrophobicContact CB-CD1 3.66Å; A471-F479 HydrophobicContact CB-CE1 3.38Å; A471-F479 HydrophobicContact CB-CZ 4.08Å; A471-F479 PolarHBondContact N-O 2.72Å; A471-F479 PolarHBondContact O-N 2.88Å |
| 472 | F | 65.8 | Low | 77.9 | Confident | 64 Ų | 64 | 45.5 Ų | 45.5 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | trans | -86.9 | 109.9 | 171.4 | -98.1 | -93.2 | 0 | 0 | 0 | 110.6 | F436 P437 | F436-F472 AromaticContact CE1-CE2 3.93Å; F436-F472 HydrophobicContact CE1-CE2 3.93Å; F436-F472 AromaticContact CE1-CZ 3.56Å; F436-F472 HydrophobicContact CE1-CZ 3.56Å; F436-F472 AromaticContact CZ-CE2 3.63Å; F436-F472 HydrophobicContact CZ-CE2 3.63Å; F436-F472 AromaticContact CZ-CZ 3.79Å; F436-F472 HydrophobicContact CZ-CZ 3.79Å; P437-F472 HydrophobicContact CB-CE2 3.99Å; P437-F472 HydrophobicContact CB-CZ 3.9Å; P437-F472 HydrophobicContact CG-CZ 4.11Å | ||
| 473 | R | 60.3 | Low | 78.1 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 15% | 0.151 | 25% | 0.253 | C | S | . | . | trans | -120.1 | 161.5 | 171.6 | -69.4 | 179.5 | 168 | -178.2 | -5.3 | 109.4 | A218 L711 D714 | A218-R473 HydrophobicContact CB-CG 4.44Å; R473-L711 VanDerWaalsContact NH2-CD1 3.27Å; R473-D714 IonicContact CZ-OD2 3.24Å; R473-D714 IonicContact NH1-OD2 4Å; R473-D714 PolarHBondContact NH1-OD2 3.23Å; R473-D714 IonicContact NH2-OD2 3.84Å | ||
| 474 | D | 54.7 | Low | 78.2 | Confident | 98 Ų | 98 | 42 Ų | 42 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -72.2 | -38.7 | 175.9 | -75.2 | -56 | 0 | 0 | 0 | 112.1 | Q216 | Q216-D474 VanDerWaalsContact CD-OD1 3.23Å; Q216-D474 PolarHBondContact NE2-OD1 2.81Å |
| 475 | D | 50.9 | Low | 78.4 | Confident | 126 Ų | 126 | 42.6 Ų | 42.6 | 67% | 0.674 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -80.7 | 167 | 177.4 | -58.2 | -63 | 0 | 0 | 0 | 112.3 | D477 G478 | D475-D477 PolarHBondContact O-N 3.31Å; D475-G478 PolarHBondContact O-N 2.7Å |
| 476 | N | 51.7 | Low | 78.7 | Confident | 172 Ų | 172 | 41.6 Ų | 41.6 | 92% | 0.92 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 18.7 | 174.6 | -71.7 | -36.8 | 0 | 0 | 0 | 114.9 | ||
| 477 | D | 60.4 | Low | 79.1 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 1.1 | -178.7 | -85 | 11.2 | 0 | 0 | 0 | 113.3 | D475 K710 | D475-D477 PolarHBondContact O-N 3.31Å; D477-K710 IonicContact OD1-NZ 2.73Å; D477-K710 PolarHBondContact OD1-NZ 2.88Å; D477-K710 VanDerWaalsContact OD2-CE 3.27Å; D477-K710 WeakPolarHBondContact OD2-CE 3.33Å; D477-K710 IonicContact OD2-NZ 3.71Å; D477-K710 PolarHBondContact OD2-NZ 3.42Å |
| 478 | G | 72.5 | Confident | 79.8 | Confident | 31 Ų | 31 | 40.5 Ų | 40.5 | 32% | 0.32 | 22% | 0.22 | S | C | . | . | trans | -77.3 | 167.2 | 165 | 0 | 0 | 0 | 0 | 0 | 112.6 | A471 D475 | A471-G478 CarbonylContact O-C 3.53Å; A471-G478 WeakPolarHBondContact O-CA 3.32Å; D475-G478 PolarHBondContact O-N 2.7Å | ||
| 479 | F | 84.6 | Confident | 80.2 | Confident | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -142.8 | 145.5 | 173.7 | 62.8 | -83.3 | 0 | 0 | 0 | 112.1 | I469 A471 M704 H707 L711 | I469-F479 WeakPolarHBondContact O-CE2 3.05Å; A471-F479 HydrophobicContact CB-CD1 3.66Å; A471-F479 HydrophobicContact CB-CE1 3.38Å; A471-F479 HydrophobicContact CB-CZ 4.08Å; A471-F479 PolarHBondContact N-O 2.72Å; A471-F479 PolarHBondContact O-N 2.88Å; F479-M704 HydrophobicContact CE2-CE 4.18Å; F479-M704 HydrophobicContact CE2-SD 3.59Å; F479-M704 VanDerWaalsContact CE2-SD 3.59Å; F479-M704 HydrophobicContact CZ-CE 4.35Å; F479-M704 HydrophobicContact CZ-SD 4.11Å; F479-H707 WeakPolarHBondContact CB-ND1 3.38Å; F479-H707 HydrophobicContact CD1-CB 3.72Å; F479-H707 AromaticContact CD1-CG 4Å; F479-H707 HydrophobicContact CD2-CB 3.98Å; F479-H707 AromaticContact CD2-ND1 3.51Å; F479-H707 HydrophobicContact CE1-CB 3.78Å; F479-H707 HydrophobicContact CE2-CB 4.02Å; F479-H707 HydrophobicContact CG-CB 3.84Å; F479-H707 AromaticContact CG-CG 3.72Å; F479-H707 AromaticContact CG-ND1 3.47Å; F479-H707 WeakPolarHBondContact CG-ND1 3.43Å; F479-H707 HydrophobicContact CZ-CB 3.93Å; F479-L711 HydrophobicContact CE1-CD2 4.42Å |
| 480 | L | 87.2 | Confident | 80.5 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | trans | -70.5 | 165.9 | 176 | -58.2 | 178.2 | 0 | 0 | 0 | 110.8 | F436 T482 T527 L529 | F436-L480 HydrophobicContact CD1-CD2 4.43Å; F436-L480 HydrophobicContact CE1-CD2 3.5Å; F436-L480 HydrophobicContact CE2-CD2 4.43Å; F436-L480 HydrophobicContact CZ-CD2 3.51Å; L480-T482 PolarHBondContact O-N 3.37Å; L480-T482 PolarHBondContact O-OG1 2.89Å; L480-T527 HydrophobicContact CB-CG2 4.36Å; L480-T527 HydrophobicContact CD1-CG2 4.36Å; L480-L529 HydrophobicContact CD1-CD1 4.23Å; L480-L529 HydrophobicContact CD1-CD2 4.38Å; L480-L529 HydrophobicContact CD1-CG 3.96Å; L480-L529 HydrophobicContact CD2-CD1 4.39Å | ||
| 481 | P | 90.6 | Very high | 80.9 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -56.6 | 109.8 | 175.5 | -23.9 | 33.4 | 0 | 0 | 0 | 112.1 | F365 F436 I466 I469 T527 | F365-P481 HydrophobicContact CE1-CB 3.91Å; F365-P481 HydrophobicContact CE1-CG 4.11Å; F365-P481 HydrophobicContact CZ-CB 4.28Å; F365-P481 HydrophobicContact CZ-CG 4.41Å; F436-P481 VanDerWaalsContact CE2-CD 3.49Å; F436-P481 HydrophobicContact CE2-CG 3.85Å; I466-P481 HydrophobicContact CG2-CB 4.48Å; I466-P481 HydrophobicContact CG2-CG 3.95Å; I469-P481 HydrophobicContact CD1-CB 3.78Å; I469-P481 HydrophobicContact CG1-CB 4.22Å; I469-P481 VanDerWaalsContact O-CA 3.29Å; I469-P481 WeakPolarHBondContact O-CA 3.29Å; P481-T527 WeakPolarHBondContact CB-OG1 3.21Å; P481-T527 PolarHBondContact O-N 2.69Å; P481-T527 PolarHBondContact O-OG1 3.46Å |
| 482 | T | 93.9 | Very high | 81.8 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | trans | -136.2 | 132.6 | -178.7 | -66.4 | 0 | 0 | 0 | 0 | 109 | I469 L480 L525 E703 M704 | I469-T482 PolarHBondContact O-N 3.06Å; L480-T482 PolarHBondContact O-N 3.37Å; L480-T482 PolarHBondContact O-OG1 2.89Å; T482-L525 WeakPolarHBondContact CA-O 3.49Å; T482-E703 HydrophobicContact CG2-CB 3.95Å; T482-E703 HydrophobicContact CG2-CG 4.05Å; T482-E703 PolarHBondContact OG1-OE1 2.95Å; T482-M704 VanDerWaalsContact O-SD 3.41Å | ||
| 483 | F | 96 | Very high | 82.9 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 139.4 | 177.3 | 172.4 | -81.8 | 0 | 0 | 0 | 110.7 | I464 I469 I488 L523 E524 L525 Q755 | I464-F483 HydrophobicContact CD1-CB 4.45Å; I464-F483 HydrophobicContact CD1-CD1 4.13Å; I464-F483 HydrophobicContact CD1-CD2 4.3Å; I464-F483 HydrophobicContact CD1-CE1 4.49Å; I464-F483 HydrophobicContact CD1-CG 4.04Å; I469-F483 HydrophobicContact CD1-CB 4.4Å; I469-F483 HydrophobicContact CG2-CB 4.26Å; I469-F483 HydrophobicContact CG2-CD2 4.09Å; F483-I488 HydrophobicContact CE1-CD1 3.88Å; F483-I488 HydrophobicContact CE1-CG1 3.86Å; F483-I488 HydrophobicContact CE2-CG1 4.37Å; F483-I488 HydrophobicContact CZ-CD1 3.8Å; F483-I488 HydrophobicContact CZ-CG1 3.47Å; F483-I488 VanDerWaalsContact CZ-CG1 3.47Å; F483-L523 HydrophobicContact CD1-CD1 3.64Å; F483-L523 HydrophobicContact CE1-CD1 3.76Å; F483-L523 HydrophobicContact CE1-CG 4.42Å; F483-E524 CarbonylContact O-C 3.35Å; F483-E524 WeakPolarHBondContact O-CA 3.39Å; F483-L525 HydrophobicContact CB-CB 4.22Å; F483-L525 PolarHBondContact N-O 3.5Å; F483-L525 PolarHBondContact O-N 3.3Å; F483-Q755 HydrophobicContact CD2-CG 4.04Å; F483-Q755 HydrophobicContact CE2-CB 4.41Å; F483-Q755 HydrophobicContact CE2-CG 3.86Å |
| 484 | G | 92.9 | Very high | 84.1 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | -170 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S486 N702 | G484-S486 VanDerWaalsContact CA-N 3.31Å; G484-N702 WeakPolarHBondContact CA-ND2 3.34Å; G484-N702 WeakPolarHBondContact O-CB 3.5Å; G484-N702 VanDerWaalsContact O-CG 3.31Å; G484-N702 PolarHBondContact O-ND2 3.36Å |
| 485 | P | 94.1 | Very high | 85.3 | Confident | 20 Ų | 20 | 29.3 Ų | 29.3 | 13% | 0.13 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -60.3 | 128.6 | 5.2 | -18.8 | 27.2 | 0 | 0 | 0 | 113.3 | L522 L523 E524 I549 N702 | P485-L522 HydrophobicContact CB-CD1 4.44Å; P485-L523 WeakPolarHBondContact CA-O 3.42Å; P485-E524 HydrophobicContact CB-CB 4.36Å; P485-E524 HydrophobicContact CG-CB 4.11Å; P485-E524 HydrophobicContact CG-CG 4.2Å; P485-E524 WeakPolarHBondContact CG-OE2 3.42Å; P485-I549 HydrophobicContact CB-CD1 3.24Å; P485-I549 HydrophobicContact CG-CD1 3.8Å; P485-N702 PolarHBondContact O-ND2 3.2Å |
| 486 | S | 95 | Very high | 86.2 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 154.1 | 176.8 | -162.9 | 0 | 0 | 0 | 0 | 110.5 | G484 L522 L523 R638 | G484-S486 VanDerWaalsContact CA-N 3.31Å; S486-L522 VanDerWaalsContact C-CD1 3.45Å; S486-L523 PolarHBondContact N-O 3.03Å; S486-L523 VanDerWaalsContact N-O 3.13Å; S486-L523 PolarHBondContact O-N 3.01Å; S486-R638 PolarHBondContact OG-NH1 3.43Å; S486-R638 VanDerWaalsContact OG-NH1 3.08Å |
| 487 | F | 95.4 | Very high | 86.8 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.022 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 146.4 | 171.8 | -72.1 | -92 | 0 | 0 | 0 | 111.6 | E373 R520 V521 L522 L553 | E373-F487 HydrophobicContact CG-CE1 3.91Å; F487-R520 HydrophobicContact CB-CB 4.49Å; F487-R520 HydrophobicContact CB-CG 4.44Å; F487-R520 HydrophobicContact CD1-CB 4.22Å; F487-R520 HydrophobicContact CD1-CG 3.64Å; F487-R520 HydrophobicContact CE1-CG 4.16Å; F487-R520 HydrophobicContact CG-CG 4.29Å; F487-V521 CarbonylContact C-O 3.55Å; F487-V521 VanDerWaalsContact CA-O 3.23Å; F487-V521 WeakPolarHBondContact CA-O 3.41Å; F487-L522 HydrophobicContact CD1-CB 3.76Å; F487-L522 HydrophobicContact CD2-CB 4.46Å; F487-L522 HydrophobicContact CD2-CD1 4.1Å; F487-L522 HydrophobicContact CE1-CB 3.62Å; F487-L522 HydrophobicContact CE2-CB 4.32Å; F487-L522 HydrophobicContact CE2-CD1 4.26Å; F487-L522 HydrophobicContact CE2-CD2 4.16Å; F487-L522 HydrophobicContact CE2-CG 4.5Å; F487-L522 HydrophobicContact CG-CB 4.2Å; F487-L522 HydrophobicContact CG-CD1 4.35Å; F487-L522 HydrophobicContact CZ-CB 3.91Å; F487-L522 HydrophobicContact CZ-CD2 4.06Å; F487-L522 HydrophobicContact CZ-CG 4.46Å; F487-L553 HydrophobicContact CE2-CD2 4.17Å; F487-L553 HydrophobicContact CZ-CD2 3.97Å |
| 488 | I | 94.8 | Very high | 86.9 | Confident | 18 Ų | 18 | 23.3 Ų | 23.3 | 9% | 0.092 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.9 | 167.6 | -60 | 176 | 0 | 0 | 0 | 108.1 | F445 I464 F483 R520 V521 L523 | F445-I488 HydrophobicContact CE2-CD1 4.48Å; I464-I488 HydrophobicContact CD1-CD1 3.58Å; I464-I488 HydrophobicContact CG1-CD1 3.55Å; F483-I488 HydrophobicContact CE1-CD1 3.88Å; F483-I488 HydrophobicContact CE1-CG1 3.86Å; F483-I488 HydrophobicContact CE2-CG1 4.37Å; F483-I488 HydrophobicContact CZ-CD1 3.8Å; F483-I488 HydrophobicContact CZ-CG1 3.47Å; F483-I488 VanDerWaalsContact CZ-CG1 3.47Å; I488-R520 CarbonylContact O-C 2.95Å; I488-R520 VanDerWaalsContact O-CA 3.24Å; I488-R520 WeakPolarHBondContact O-CA 3.28Å; I488-R520 WeakPolarHBondContact O-CB 3.29Å; I488-V521 HydrophobicContact CB-CG1 4.15Å; I488-V521 PolarHBondContact N-O 3.1Å; I488-V521 PolarHBondContact O-N 3.1Å; I488-L523 HydrophobicContact CD1-CD1 4.15Å; I488-L523 HydrophobicContact CD1-CD2 4.01Å; I488-L523 HydrophobicContact CD1-CG 4.15Å |
| 489 | N | 95.4 | Very high | 86.2 | Confident | 17 Ų | 17 | 27 Ų | 27 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128.2 | 179 | -68 | -54.6 | 0 | 0 | 0 | 111.2 | Y491 R520 M756 S757 I758 | N489-Y491 HydrophobicContact CB-CE2 3.77Å; N489-R520 WeakPolarHBondContact OD1-CB 3.4Å; N489-R520 WeakPolarHBondContact OD1-CD 3.45Å; N489-M756 PolarHBondContact ND2-O 3.25Å; N489-M756 VanDerWaalsContact ND2-O 3.07Å; N489-S757 VanDerWaalsContact ND2-C 3.27Å; N489-S757 PolarHBondContact ND2-O 3.14Å; N489-S757 PolarHBondContact OD1-O 3.37Å; N489-I758 VanDerWaalsContact ND2-C 3.33Å; N489-I758 PolarHBondContact ND2-O 2.95Å |
| 490 | L | 94.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.8 | 178.7 | -51.5 | 175.8 | 0 | 0 | 0 | 109.3 | L375 F447 G462 R518 G519 V521 | L375-L490 HydrophobicContact CD2-CD1 4.04Å; F447-L490 HydrophobicContact CD2-CD1 3.57Å; F447-L490 HydrophobicContact CD2-CD2 3.92Å; F447-L490 HydrophobicContact CD2-CG 4.43Å; F447-L490 HydrophobicContact CE2-CD1 4.05Å; F447-L490 HydrophobicContact CE2-CD2 3.92Å; F447-L490 HydrophobicContact CG-CD1 4.12Å; G462-L490 VanDerWaalsContact N-CD2 3.32Å; L490-R518 HydrophobicContact CB-CB 4.27Å; L490-R518 PolarHBondContact O-N 2.67Å; L490-G519 WeakPolarHBondContact CA-O 3.41Å; L490-G519 VanDerWaalsContact CB-O 3.25Å; L490-G519 WeakPolarHBondContact CB-O 3.48Å; L490-G519 PolarHBondContact N-O 2.82Å; L490-V521 HydrophobicContact CD2-CG1 4.29Å |
| 491 | Y | 94.1 | Very high | 84.4 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 11% | 0.114 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154.3 | 176.7 | -64.2 | -82.1 | 0 | 0 | 0 | 111.2 | N489 A516 D760 | N489-Y491 HydrophobicContact CB-CE2 3.77Å; Y491-A516 VanDerWaalsContact CA-O 3.29Å; Y491-A516 WeakPolarHBondContact CA-O 3.05Å; Y491-D760 HydrophobicContact CE1-CB 4.4Å; Y491-D760 WeakPolarHBondContact OH-CB 3.34Å; Y491-D760 PolarHBondContact OH-N 3.25Å; Y491-D760 PolarHBondContact OH-OD1 2.96Å |
| 492 | G | 91.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | -149.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N508 G514 V515 A516 | G492-N508 VanDerWaalsContact CA-OD1 3.29Å; G492-N508 WeakPolarHBondContact CA-OD1 3.39Å; G492-G514 CarbonylContact O-C 3.53Å; G492-V515 WeakPolarHBondContact O-CG2 3.19Å; G492-V515 PolarHBondContact O-N 2.67Å; G492-A516 PolarHBondContact N-O 3.39Å; G492-A516 PolarHBondContact O-N 3.23Å; G492-A516 VanDerWaalsContact O-N 3.1Å |
| 493 | S | 89.7 | Confident | 83 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -67.9 | 158.3 | -177.1 | 63.6 | 0 | 0 | 0 | 0 | 114 | R495 D502 N508 A516 R518 | S493-R495 PolarHBondContact O-N 2.91Å; S493-D502 WeakPolarHBondContact CB-OD2 3.26Å; S493-D502 PolarHBondContact OG-OD2 3.07Å; S493-N508 PolarHBondContact N-OD1 3.25Å; S493-N508 PolarHBondContact OG-ND2 2.89Å; S493-N508 PolarHBondContact OG-OD1 3.42Å; S493-N508 VanDerWaalsContact OG-OD1 3.1Å; S493-A516 WeakPolarHBondContact O-CB 3.29Å; S493-R518 PolarHBondContact O-NH1 3.29Å; S493-R518 PolarHBondContact OG-NH1 2.76Å |
| 494 | P | 86.5 | Confident | 82.5 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 10% | 0.104 | 24% | 0.24 | C | C | . | . | trans | -52.3 | 134.3 | 173.6 | -22.2 | 32.1 | 0 | 0 | 0 | 111.8 | E496 Y504 V515 W764 P806 | P494-E496 VanDerWaalsContact C-N 3.25Å; P494-E496 HydrophobicContact CB-CG 4.43Å; P494-E496 PolarHBondContact O-N 3.3Å; P494-Y504 HydrophobicContact CG-CD2 3.82Å; P494-Y504 HydrophobicContact CG-CE2 4.18Å; P494-V515 HydrophobicContact CG-CG2 3.71Å; P494-W764 HydrophobicContact CB-CH2 4.22Å; P494-W764 HydrophobicContact CG-CH2 4.35Å; P494-P806 HydrophobicContact CG-CB 4.37Å; P494-P806 HydrophobicContact CG-CG 4.13Å | ||
| 495 | R | 78.7 | Confident | 82.1 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | trans | -79.2 | 73.6 | 174.1 | -68.2 | -176.9 | 66.3 | -172.7 | -0.2 | 110.5 | S493 Y497 A516 Y517 N586 L591 D592 R771 | S493-R495 PolarHBondContact O-N 2.91Å; R495-Y497 PolarHBondContact NH2-OH 2.88Å; R495-A516 HydrophobicContact CG-CB 4.49Å; R495-Y517 WeakPolarHBondContact CD-O 3.31Å; R495-N586 PolarHBondContact NH1-OD1 2.94Å; R495-L591 WeakPolarHBondContact O-CD1 3.18Å; R495-D592 IonicContact CZ-OD2 3.91Å; R495-D592 IonicContact NH1-OD2 2.67Å; R495-D592 PolarHBondContact NH1-OD2 3.07Å; R495-D592 IonicContact NH2-OD2 2.71Å; R495-D592 PolarHBondContact NH2-OD2 3.1Å; R495-R771 PolarHBondContact O-NH1 3.18Å | ||
| 496 | E | 69.5 | Low | 81.7 | Confident | 87 Ų | 87 | 51.4 Ų | 51.4 | 41% | 0.407 | 27% | 0.266 | S | S | . | . | trans | -111.4 | 109.6 | 169.2 | -62.9 | -164.7 | 145.5 | 0 | 0 | 109 | P494 S498 R771 | P494-E496 VanDerWaalsContact C-N 3.25Å; P494-E496 HydrophobicContact CB-CG 4.43Å; P494-E496 PolarHBondContact O-N 3.3Å; E496-S498 PolarHBondContact O-N 2.86Å; E496-S498 VanDerWaalsContact O-N 3.12Å; E496-R771 WeakPolarHBondContact OE1-CB 3.3Å; E496-R771 PolarHBondContact OE1-N 2.86Å | ||
| 497 | Y | 65.4 | Low | 81.4 | Confident | 98 Ų | 98 | 51.2 Ų | 51.2 | 38% | 0.384 | 27% | 0.265 | S | S | . | . | trans | -74.2 | 103 | 174.5 | -51.7 | -63.7 | 0 | 0 | 0 | 108.6 | R377 R495 L591 | R377-Y497 HydrophobicContact CB-CE1 3.93Å; R495-Y497 PolarHBondContact NH2-OH 2.88Å; Y497-L591 HydrophobicContact CE2-CB 4.38Å | ||
| 498 | S | 62.2 | Low | 81.1 | Confident | 57 Ų | 57 | 51 Ų | 51 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | trans | -132.5 | 151.8 | -177.2 | 98.5 | 0 | 0 | 0 | 0 | 111 | E496 L500 | E496-S498 PolarHBondContact O-N 2.86Å; E496-S498 VanDerWaalsContact O-N 3.12Å; S498-L500 PolarHBondContact O-N 2.79Å; S498-L500 PolarHBondContact OG-N 2.71Å; S498-L500 PolarHBondContact OG-O 2.98Å | ||
| 499 | D | 57 | Low | 80.8 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -73 | -4.8 | 176.8 | -52.1 | -43 | 0 | 0 | 0 | 113.3 | A382 | A382-D499 HydrophobicContact CB-CB 4.19Å; A382-D499 WeakPolarHBondContact CB-OD1 3.46Å |
| 500 | L | 65.7 | Low | 80.2 | Confident | 134 Ų | 134 | 53.6 Ų | 53.6 | 70% | 0.702 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -94.2 | 145.1 | 176.9 | -66.2 | 174.1 | 0 | 0 | 0 | 110.6 | S498 | S498-L500 PolarHBondContact O-N 2.79Å; S498-L500 PolarHBondContact OG-N 2.71Å; S498-L500 PolarHBondContact OG-O 2.98Å |
| 501 | P | 68.1 | Low | 79.6 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 78% | 0.779 | 31% | 0.307 | S | S | * | . | trans | -61 | 140.7 | 176.3 | 26.2 | -34.6 | 0 | 0 | 0 | 111.2 | K503 | P501-K503 PolarHBondContact O-N 3Š| ||
| 502 | D | 74.7 | Confident | 79 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | trans | -66.6 | 104 | -178 | 178.5 | 16 | 0 | 0 | 0 | 111.5 | S493 Y504 E505 | S493-D502 WeakPolarHBondContact CB-OD2 3.26Å; S493-D502 PolarHBondContact OG-OD2 3.07Å; D502-Y504 PolarHBondContact O-N 3.06Å; D502-Y504 WeakPolarHBondContact OD1-CA 3.42Å; D502-Y504 WeakPolarHBondContact OD1-CB 3.42Å; D502-Y504 PolarHBondContact OD1-N 3.15Å; D502-E505 HydrophobicContact CB-CB 4.37Å; D502-E505 WeakPolarHBondContact O-CB 3.28Å; D502-E505 PolarHBondContact O-N 3.27Å; D502-E505 VanDerWaalsContact O-N 3.12Å; D502-E505 WeakPolarHBondContact OD2-CA 3.5Å; D502-E505 PolarHBondContact OD2-N 2.87Å | ||
| 503 | K | 80.6 | Confident | 78.6 | Confident | 148 Ų | 148 | 62.1 Ų | 62.1 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -15.1 | 173.4 | 53.6 | 161.8 | 168.5 | 155.8 | 0 | 114 | P501 L808 | P501-K503 PolarHBondContact O-N 3Å; K503-L808 WeakPolarHBondContact O-CD1 3.26Å |
| 504 | Y | 85.4 | Confident | 78.5 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 9.6 | -179.4 | -60 | -63.5 | 0 | 0 | 0 | 114.4 | P494 D502 A506 L507 P806 L808 | P494-Y504 HydrophobicContact CG-CD2 3.82Å; P494-Y504 HydrophobicContact CG-CE2 4.18Å; D502-Y504 PolarHBondContact O-N 3.06Å; D502-Y504 WeakPolarHBondContact OD1-CA 3.42Å; D502-Y504 WeakPolarHBondContact OD1-CB 3.42Å; D502-Y504 PolarHBondContact OD1-N 3.15Å; Y504-A506 PolarHBondContact O-N 2.87Å; Y504-L507 WeakPolarHBondContact O-CB 3.5Å; Y504-L507 WeakPolarHBondContact O-CG 3.4Å; Y504-L507 PolarHBondContact O-N 2.75Å; Y504-P806 HydrophobicContact CD1-CB 4.38Å; Y504-P806 HydrophobicContact CD2-CB 4.44Å; Y504-P806 HydrophobicContact CE1-CB 3.92Å; Y504-P806 WeakPolarHBondContact CE1-O 3.36Å; Y504-P806 HydrophobicContact CE2-CB 3.95Å; Y504-P806 VanDerWaalsContact CZ-O 3.31Å; Y504-P806 PolarHBondContact OH-O 3.02Å; Y504-L808 HydrophobicContact CD1-CD2 4.18Å; Y504-L808 HydrophobicContact CD1-CG 4.11Å |
| 505 | E | 84.9 | Confident | 78.7 | Confident | 91 Ų | 91 | 61.6 Ų | 61.6 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -48.9 | -35.9 | -175.7 | -170.5 | -157.7 | 155.2 | 0 | 0 | 113.7 | P458 D502 L507 N508 | P458-E505 WeakPolarHBondContact CD-OE1 3.24Å; P458-E505 HydrophobicContact CG-CG 3.86Å; D502-E505 HydrophobicContact CB-CB 4.37Å; D502-E505 WeakPolarHBondContact O-CB 3.28Å; D502-E505 PolarHBondContact O-N 3.27Å; D502-E505 VanDerWaalsContact O-N 3.12Å; D502-E505 WeakPolarHBondContact OD2-CA 3.5Å; D502-E505 PolarHBondContact OD2-N 2.87Å; E505-L507 PolarHBondContact O-N 3.33Å; E505-L507 VanDerWaalsContact O-N 3.08Å; E505-N508 VanDerWaalsContact O-CB 3.27Å; E505-N508 WeakPolarHBondContact O-CB 3.47Å; E505-N508 PolarHBondContact O-N 3.48Å |
| 506 | A | 85.1 | Confident | 79.3 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -57.1 | -25.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y504 N508 L509 K511 L808 | Y504-A506 PolarHBondContact O-N 2.87Å; A506-N508 VanDerWaalsContact C-N 3.31Å; A506-N508 PolarHBondContact O-N 2.75Å; A506-L509 PolarHBondContact O-N 3.32Å; A506-K511 HydrophobicContact CB-CB 4.38Å; A506-K511 WeakPolarHBondContact O-CB 3.41Å; A506-K511 PolarHBondContact O-N 2.67Å; A506-L808 HydrophobicContact CB-CD2 4.15Å |
| 507 | L | 88.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -66.3 | -32.3 | 172.9 | -60.5 | -175.9 | 0 | 0 | 0 | 112 | Y504 E505 L509 G510 V515 L808 | Y504-L507 WeakPolarHBondContact O-CB 3.5Å; Y504-L507 WeakPolarHBondContact O-CG 3.4Å; Y504-L507 PolarHBondContact O-N 2.75Å; E505-L507 PolarHBondContact O-N 3.33Å; E505-L507 VanDerWaalsContact O-N 3.08Å; L507-L509 PolarHBondContact O-N 2.96Å; L507-G510 PolarHBondContact O-N 3.26Å; L507-V515 HydrophobicContact CD1-CG1 3.96Å; L507-V515 HydrophobicContact CD1-CG2 4.45Å; L507-L808 HydrophobicContact CD2-CD2 3.87Å; L507-L808 HydrophobicContact CG-CD2 3.81Å |
| 508 | N | 90.5 | Very high | 81.8 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.8 | 177.3 | -56.6 | -22.3 | 0 | 0 | 0 | 111.8 | P458 G460 T461 G492 S493 E505 A506 G510 | P458-N508 HydrophobicContact CB-CB 3.85Å; P458-N508 HydrophobicContact CG-CB 3.99Å; P458-N508 WeakPolarHBondContact O-CB 3.47Å; P458-N508 PolarHBondContact O-ND2 2.9Å; G460-N508 CarbonylContact C-O 3.6Å; G460-N508 WeakPolarHBondContact CA-O 3.24Å; T461-N508 WeakPolarHBondContact CB-O 3.27Å; T461-N508 PolarHBondContact N-O 3.3Å; T461-N508 PolarHBondContact OG1-O 3.1Å; G492-N508 VanDerWaalsContact CA-OD1 3.29Å; G492-N508 WeakPolarHBondContact CA-OD1 3.39Å; S493-N508 PolarHBondContact N-OD1 3.25Å; S493-N508 PolarHBondContact OG-ND2 2.89Å; S493-N508 PolarHBondContact OG-OD1 3.42Å; S493-N508 VanDerWaalsContact OG-OD1 3.1Å; E505-N508 VanDerWaalsContact O-CB 3.27Å; E505-N508 WeakPolarHBondContact O-CB 3.47Å; E505-N508 PolarHBondContact O-N 3.48Å; A506-N508 VanDerWaalsContact C-N 3.31Å; A506-N508 PolarHBondContact O-N 2.75Å; N508-G510 PolarHBondContact O-N 2.64Å |
| 509 | L | 87.1 | Confident | 83.3 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 6 | 172.3 | -63.8 | 171.2 | 0 | 0 | 0 | 113.5 | K444 T446 F448 P458 T461 A506 L507 K511 | K444-L509 VanDerWaalsContact CE-O 3.22Å; K444-L509 WeakPolarHBondContact CE-O 3.41Å; K444-L509 PolarHBondContact NZ-O 2.69Å; T446-L509 HydrophobicContact CG2-CD2 4.23Å; F448-L509 HydrophobicContact CE1-CD2 4.13Å; F448-L509 HydrophobicContact CZ-CD2 4.03Å; P458-L509 HydrophobicContact CB-CD2 3.59Å; P458-L509 HydrophobicContact CB-CG 3.96Å; P458-L509 HydrophobicContact CG-CD2 4Å; P458-L509 HydrophobicContact CG-CG 3.97Å; T461-L509 VanDerWaalsContact OG1-C 3.25Å; T461-L509 WeakPolarHBondContact OG1-CA 3.35Å; A506-L509 PolarHBondContact O-N 3.32Å; L507-L509 PolarHBondContact O-N 2.96Å; L509-K511 VanDerWaalsContact C-N 3.34Å; L509-K511 HydrophobicContact CB-CG 4.29Å |
| 510 | G | 83.5 | Confident | 85.2 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 16.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T461 L507 N508 G512 | T461-G510 PolarHBondContact OG1-N 2.99Å; L507-G510 PolarHBondContact O-N 3.26Å; N508-G510 PolarHBondContact O-N 2.64Å; G510-G512 VanDerWaalsContact C-N 3.32Å; G510-G512 PolarHBondContact O-N 2.97Å; G510-G512 VanDerWaalsContact O-N 3.16Å |
| 511 | K | 82.6 | Confident | 86.6 | Confident | 96 Ų | 96 | 39 Ų | 39 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -90.9 | 63.8 | -177.8 | -57.7 | -168.6 | 174 | -162.1 | 0 | 111.6 | E344 A506 L509 | E344-K511 WeakPolarHBondContact OE2-CE 3.36Å; E344-K511 IonicContact OE2-NZ 3.3Å; E344-K511 PolarHBondContact OE2-NZ 2.87Å; A506-K511 HydrophobicContact CB-CB 4.38Å; A506-K511 WeakPolarHBondContact O-CB 3.41Å; A506-K511 PolarHBondContact O-N 2.67Å; L509-K511 VanDerWaalsContact C-N 3.34Å; L509-K511 HydrophobicContact CB-CG 4.29Å |
| 512 | G | 81.4 | Confident | 87.9 | Confident | 22 Ų | 22 | 33.5 Ų | 33.5 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 132.1 | 177.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G510 G514 | G510-G512 VanDerWaalsContact C-N 3.32Å; G510-G512 PolarHBondContact O-N 2.97Å; G510-G512 VanDerWaalsContact O-N 3.16Å; G512-G514 PolarHBondContact O-N 3.27Å |
| 513 | Q | 83.8 | Confident | 88.9 | Confident | 91 Ų | 91 | 30.6 Ų | 30.6 | 43% | 0.425 | 16% | 0.164 | S | C | . | . | trans | -74.1 | 110.6 | 177 | -169.9 | -178.8 | 38.7 | 0 | 0 | 110.6 | V515 | Q513-V515 WeakPolarHBondContact O-CG1 3.38Å; Q513-V515 PolarHBondContact O-N 3.06Å | ||
| 514 | G | 88 | Confident | 89.6 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | trans | -56.3 | 133 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G492 G512 R776 | G492-G514 CarbonylContact O-C 3.53Å; G512-G514 PolarHBondContact O-N 3.27Å; G514-R776 PolarHBondContact O-NH1 3.31Å | ||
| 515 | V | 90.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -100.4 | -27.5 | -170.4 | -52.9 | 0 | 0 | 0 | 0 | 113.4 | G492 P494 L507 Q513 W764 Y774 P806 | G492-V515 WeakPolarHBondContact O-CG2 3.19Å; G492-V515 PolarHBondContact O-N 2.67Å; P494-V515 HydrophobicContact CG-CG2 3.71Å; L507-V515 HydrophobicContact CD1-CG1 3.96Å; L507-V515 HydrophobicContact CD1-CG2 4.45Å; Q513-V515 WeakPolarHBondContact O-CG1 3.38Å; Q513-V515 PolarHBondContact O-N 3.06Å; V515-W764 HydrophobicContact CB-CH2 4.35Å; V515-W764 HydrophobicContact CG2-CH2 3.95Å; V515-Y774 HydrophobicContact CB-CD1 4.31Å; V515-Y774 HydrophobicContact CB-CD2 4.15Å; V515-Y774 HydrophobicContact CB-CE1 3.91Å; V515-Y774 HydrophobicContact CB-CE2 3.71Å; V515-Y774 HydrophobicContact CB-CG 4.44Å; V515-Y774 HydrophobicContact CG1-CD1 4.46Å; V515-Y774 HydrophobicContact CG1-CE1 3.64Å; V515-Y774 HydrophobicContact CG1-CE2 3.99Å; V515-Y774 VanDerWaalsContact CG1-OH 3.29Å; V515-Y774 WeakPolarHBondContact CG1-OH 3.22Å; V515-P806 HydrophobicContact CG1-CB 3.96Å; V515-P806 HydrophobicContact CG2-CB 4.22Å; V515-P806 HydrophobicContact CG2-CG 4.33Å | ||
| 516 | A | 91.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y491 G492 S493 R495 W764 | Y491-A516 VanDerWaalsContact CA-O 3.29Å; Y491-A516 WeakPolarHBondContact CA-O 3.05Å; G492-A516 PolarHBondContact N-O 3.39Å; G492-A516 PolarHBondContact O-N 3.23Å; G492-A516 VanDerWaalsContact O-N 3.1Å; S493-A516 WeakPolarHBondContact O-CB 3.29Å; R495-A516 HydrophobicContact CG-CB 4.49Å; A516-W764 HydrophobicContact CB-CZ2 3.97Å |
| 517 | Y | 93.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.027 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 137.9 | 167.4 | 174.3 | -103.3 | 0 | 0 | 0 | 110.6 | D374 R495 G519 R520 G585 P759 | D374-Y517 HydrophobicContact CB-CE1 3.61Å; D374-Y517 WeakPolarHBondContact OD2-CE1 3.46Å; D374-Y517 PolarHBondContact OD2-OH 2.92Å; R495-Y517 WeakPolarHBondContact CD-O 3.31Å; Y517-G519 VanDerWaalsContact CE2-O 3.23Å; Y517-G519 WeakPolarHBondContact CE2-O 3.38Å; Y517-R520 HydrophobicContact CE2-CB 4.24Å; Y517-R520 WeakPolarHBondContact OH-CD 3.31Å; Y517-R520 WeakPolarHBondContact OH-CG 3.49Å; Y517-G585 VanDerWaalsContact CD1-CA 3.41Å; Y517-P759 HydrophobicContact CD2-CB 4.01Å; Y517-P759 HydrophobicContact CD2-CG 4.19Å; Y517-P759 HydrophobicContact CE2-CB 4.03Å; Y517-P759 HydrophobicContact CE2-CG 3.69Å |
| 518 | R | 92.7 | Very high | 90.9 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 5% | 0.045 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 27.6 | -175.6 | -55.5 | -67.7 | -69.7 | -165.4 | 9.8 | 111.7 | P376 M378 I459 L490 S493 | P376-R518 VanDerWaalsContact CD-O 3.26Å; P376-R518 WeakPolarHBondContact CD-O 3.38Å; P376-R518 HydrophobicContact CG-CB 4.27Å; M378-R518 PolarHBondContact SD-NH2 2.86Å; I459-R518 WeakPolarHBondContact O-CB 3.39Å; I459-R518 PolarHBondContact O-NE 3.4Å; L490-R518 HydrophobicContact CB-CB 4.27Å; L490-R518 PolarHBondContact O-N 2.67Å; S493-R518 PolarHBondContact O-NH1 3.29Å; S493-R518 PolarHBondContact OG-NH1 2.76Å |
| 519 | G | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.1 | -173.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E373 D374 L490 Y517 | E373-G519 CarbonylContact O-C 3.53Å; E373-G519 WeakPolarHBondContact O-CA 3.47Å; D374-G519 WeakPolarHBondContact O-CA 3.44Å; L490-G519 WeakPolarHBondContact CA-O 3.41Å; L490-G519 VanDerWaalsContact CB-O 3.25Å; L490-G519 WeakPolarHBondContact CB-O 3.48Å; L490-G519 PolarHBondContact N-O 2.82Å; Y517-G519 VanDerWaalsContact CE2-O 3.23Å; Y517-G519 WeakPolarHBondContact CE2-O 3.38Å |
| 520 | R | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 150.3 | 179.6 | 63.2 | -175.6 | -164.3 | 146.6 | 8.3 | 112.3 | A372 E373 F487 I488 N489 Y517 E633 S757 | A372-R520 CarbonylContact C-O 3.42Å; A372-R520 WeakPolarHBondContact CA-O 3.22Å; A372-R520 WeakPolarHBondContact CB-O 3.46Å; E373-R520 HydrophobicContact CG-CG 3.6Å; E373-R520 PolarHBondContact N-O 2.98Å; E373-R520 PolarHBondContact O-N 2.97Å; E373-R520 IonicContact OE1-CZ 2.66Å; E373-R520 VanDerWaalsContact OE1-CZ 3.25Å; E373-R520 IonicContact OE1-NE 3.39Å; E373-R520 PolarHBondContact OE1-NE 2.88Å; E373-R520 IonicContact OE1-NH2 2.74Å; E373-R520 PolarHBondContact OE1-NH2 2.89Å; F487-R520 HydrophobicContact CB-CB 4.49Å; F487-R520 HydrophobicContact CB-CG 4.44Å; F487-R520 HydrophobicContact CD1-CB 4.22Å; F487-R520 HydrophobicContact CD1-CG 3.64Å; F487-R520 HydrophobicContact CE1-CG 4.16Å; F487-R520 HydrophobicContact CG-CG 4.29Å; I488-R520 CarbonylContact O-C 2.95Å; I488-R520 VanDerWaalsContact O-CA 3.24Å; I488-R520 WeakPolarHBondContact O-CA 3.28Å; I488-R520 WeakPolarHBondContact O-CB 3.29Å; N489-R520 WeakPolarHBondContact OD1-CB 3.4Å; N489-R520 WeakPolarHBondContact OD1-CD 3.45Å; Y517-R520 HydrophobicContact CE2-CB 4.24Å; Y517-R520 WeakPolarHBondContact OH-CD 3.31Å; Y517-R520 WeakPolarHBondContact OH-CG 3.49Å; R520-E633 IonicContact CZ-OE1 3.73Å; R520-E633 IonicContact CZ-OE2 3.84Å; R520-E633 VanDerWaalsContact CZ-OE2 3.26Å; R520-E633 IonicContact NH1-OE1 2.87Å; R520-E633 PolarHBondContact NH1-OE1 3.38Å; R520-E633 IonicContact NH1-OE2 3.51Å; R520-E633 PolarHBondContact NH1-OE2 3.08Å; R520-E633 IonicContact NH2-OE2 2.81Å; R520-E633 PolarHBondContact NH2-OE2 3.33Å; R520-S757 PolarHBondContact NH1-O 2.99Å |
| 521 | V | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.2 | -177.8 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | L369 M371 A372 F447 F487 I488 L490 L523 | L369-V521 HydrophobicContact CD1-CG2 3.49Å; L369-V521 VanDerWaalsContact CD1-CG2 3.49Å; M371-V521 WeakPolarHBondContact O-CG2 3.17Å; A372-V521 HydrophobicContact CB-CB 4.13Å; A372-V521 HydrophobicContact CB-CG2 4.38Å; F447-V521 HydrophobicContact CE1-CB 4.49Å; F447-V521 HydrophobicContact CE1-CG2 4.31Å; F447-V521 HydrophobicContact CE2-CB 4.18Å; F447-V521 HydrophobicContact CE2-CG1 3.86Å; F447-V521 HydrophobicContact CZ-CB 3.76Å; F447-V521 HydrophobicContact CZ-CG1 3.83Å; F447-V521 HydrophobicContact CZ-CG2 3.73Å; F487-V521 CarbonylContact C-O 3.55Å; F487-V521 VanDerWaalsContact CA-O 3.23Å; F487-V521 WeakPolarHBondContact CA-O 3.41Å; I488-V521 HydrophobicContact CB-CG1 4.15Å; I488-V521 PolarHBondContact N-O 3.1Å; I488-V521 PolarHBondContact O-N 3.1Å; L490-V521 HydrophobicContact CD2-CG1 4.29Å; V521-L523 HydrophobicContact CG1-CD2 4.23Å; V521-L523 HydrophobicContact CG2-CD2 4.43Å |
| 522 | L | 95.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 118.5 | 171.5 | -177.4 | 54.8 | 0 | 0 | 0 | 110.2 | Y370 M371 P485 S486 F487 I549 L553 | Y370-L522 HydrophobicContact CD2-CG 4.29Å; Y370-L522 PolarHBondContact N-O 3.2Å; Y370-L522 VanDerWaalsContact N-O 3.17Å; M371-L522 HydrophobicContact CG-CB 4.11Å; M371-L522 HydrophobicContact CG-CD2 4.37Å; M371-L522 PolarHBondContact O-N 3.39Å; P485-L522 HydrophobicContact CB-CD1 4.44Å; S486-L522 VanDerWaalsContact C-CD1 3.45Å; F487-L522 HydrophobicContact CD1-CB 3.76Å; F487-L522 HydrophobicContact CD2-CB 4.46Å; F487-L522 HydrophobicContact CD2-CD1 4.1Å; F487-L522 HydrophobicContact CE1-CB 3.62Å; F487-L522 HydrophobicContact CE2-CB 4.32Å; F487-L522 HydrophobicContact CE2-CD1 4.26Å; F487-L522 HydrophobicContact CE2-CD2 4.16Å; F487-L522 HydrophobicContact CE2-CG 4.5Å; F487-L522 HydrophobicContact CG-CB 4.2Å; F487-L522 HydrophobicContact CG-CD1 4.35Å; F487-L522 HydrophobicContact CZ-CB 3.91Å; F487-L522 HydrophobicContact CZ-CD2 4.06Å; F487-L522 HydrophobicContact CZ-CG 4.46Å; L522-I549 HydrophobicContact CD1-CD1 4.33Å; L522-I549 HydrophobicContact CD2-CD1 4.02Å; L522-I549 HydrophobicContact CD2-CG1 3.63Å; L522-I549 HydrophobicContact CG-CD1 4.42Å; L522-I549 HydrophobicContact CG-CG1 4.38Å; L522-L553 HydrophobicContact CD2-CD2 3.57Å; L522-L553 HydrophobicContact CD2-CG 4.4Å |
| 523 | L | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163.6 | 175.4 | 64.4 | 83.9 | 0 | 0 | 0 | 112.5 | L368 F445 I464 F483 P485 S486 I488 V521 | L368-L523 VanDerWaalsContact O-CA 3.25Å; L368-L523 WeakPolarHBondContact O-CA 3.22Å; L368-L523 WeakPolarHBondContact O-CB 3.47Å; F445-L523 HydrophobicContact CD1-CD2 3.76Å; F445-L523 HydrophobicContact CD2-CD2 4.32Å; F445-L523 HydrophobicContact CE1-CD2 3.53Å; F445-L523 HydrophobicContact CE2-CD2 4.11Å; F445-L523 HydrophobicContact CG-CD2 4.15Å; F445-L523 HydrophobicContact CZ-CD1 4.33Å; F445-L523 HydrophobicContact CZ-CD2 3.71Å; I464-L523 HydrophobicContact CD1-CD1 4.22Å; F483-L523 HydrophobicContact CD1-CD1 3.64Å; F483-L523 HydrophobicContact CE1-CD1 3.76Å; F483-L523 HydrophobicContact CE1-CG 4.42Å; P485-L523 WeakPolarHBondContact CA-O 3.42Å; S486-L523 PolarHBondContact N-O 3.03Å; S486-L523 VanDerWaalsContact N-O 3.13Å; S486-L523 PolarHBondContact O-N 3.01Å; I488-L523 HydrophobicContact CD1-CD1 4.15Å; I488-L523 HydrophobicContact CD1-CD2 4.01Å; I488-L523 HydrophobicContact CD1-CG 4.15Å; V521-L523 HydrophobicContact CG1-CD2 4.23Å; V521-L523 HydrophobicContact CG2-CD2 4.43Å |
| 524 | E | 95.7 | Very high | 89.7 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 13% | 0.131 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139 | 170.3 | 175.4 | -176.4 | 177.5 | 0 | 0 | 107.8 | I367 L368 Y370 F483 P485 R548 | I367-E524 CarbonylContact C-O 3.56Å; I367-E524 WeakPolarHBondContact CA-O 3.44Å; L368-E524 HydrophobicContact CB-CB 4.21Å; L368-E524 PolarHBondContact N-O 2.88Å; L368-E524 PolarHBondContact O-N 2.95Å; L368-E524 VanDerWaalsContact O-N 3.1Å; Y370-E524 HydrophobicContact CE2-CB 4.06Å; Y370-E524 PolarHBondContact OH-OE2 3.44Å; Y370-E524 VanDerWaalsContact OH-OE2 3.13Å; F483-E524 CarbonylContact O-C 3.35Å; F483-E524 WeakPolarHBondContact O-CA 3.39Å; P485-E524 HydrophobicContact CB-CB 4.36Å; P485-E524 HydrophobicContact CG-CB 4.11Å; P485-E524 HydrophobicContact CG-CG 4.2Å; P485-E524 WeakPolarHBondContact CG-OE2 3.42Å; E524-R548 IonicContact OE1-CZ 3.54Å; E524-R548 IonicContact OE1-NH1 3.82Å; E524-R548 IonicContact OE1-NH2 2.73Å; E524-R548 PolarHBondContact OE1-NH2 3.29Å; E524-R548 IonicContact OE2-CZ 2.82Å; E524-R548 IonicContact OE2-NH2 3.82Å; E524-R548 PolarHBondContact OE2-NH2 3.02Å |
| 525 | L | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.9 | 176 | 164.7 | 67.4 | 0 | 0 | 0 | 107.9 | F365 K366 I367 L443 I469 T482 F483 | F365-L525 HydrophobicContact CB-CD1 3.61Å; F365-L525 HydrophobicContact CD1-CD1 3.86Å; F365-L525 HydrophobicContact CD2-CD1 4.35Å; F365-L525 HydrophobicContact CG-CD1 3.7Å; K366-L525 WeakPolarHBondContact O-CA 3.45Å; I367-L525 HydrophobicContact CD1-CD1 4.48Å; I367-L525 HydrophobicContact CG1-CD1 3.7Å; L443-L525 HydrophobicContact CD2-CD2 3.75Å; I469-L525 HydrophobicContact CD1-CD2 3.48Å; I469-L525 VanDerWaalsContact CD1-CD2 3.48Å; T482-L525 WeakPolarHBondContact CA-O 3.49Å; F483-L525 HydrophobicContact CB-CB 4.22Å; F483-L525 PolarHBondContact N-O 3.5Å; F483-L525 PolarHBondContact O-N 3.3Å |
| 526 | S | 93.5 | Very high | 89.1 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.4 | 164.5 | 64.4 | 0 | 0 | 0 | 0 | 111 | K366 | K366-S526 PolarHBondContact N-O 3.28Å; K366-S526 PolarHBondContact O-N 2.74Å |
| 527 | T | 92.1 | Very high | 89 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.1 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 110 | I364 F365 F436 L480 P481 | I364-T527 WeakPolarHBondContact O-CA 3.28Å; F365-T527 HydrophobicContact CD1-CG2 4.27Å; F365-T527 WeakPolarHBondContact CD1-OG1 3.35Å; F365-T527 HydrophobicContact CE1-CG2 4.24Å; F365-T527 VanDerWaalsContact CE1-OG1 3.26Å; F365-T527 WeakPolarHBondContact CE1-OG1 3.17Å; F436-T527 HydrophobicContact CD2-CG2 4.25Å; F436-T527 HydrophobicContact CE2-CG2 4.41Å; L480-T527 HydrophobicContact CB-CG2 4.36Å; L480-T527 HydrophobicContact CD1-CG2 4.36Å; P481-T527 WeakPolarHBondContact CB-OG1 3.21Å; P481-T527 PolarHBondContact O-N 2.69Å; P481-T527 PolarHBondContact O-OG1 3.46Å |
| 528 | E | 89.6 | Confident | 88.9 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.8 | 171.1 | -71.5 | 175.5 | -161.3 | 0 | 0 | 110.4 | A363 I364 K366 | A363-E528 CarbonylContact C-O 3.57Å; A363-E528 VanDerWaalsContact CA-O 3.22Å; A363-E528 WeakPolarHBondContact CA-O 3.01Å; A363-E528 WeakPolarHBondContact CB-O 3.22Å; I364-E528 HydrophobicContact CD1-CB 4.35Å; I364-E528 HydrophobicContact CG1-CB 3.89Å; I364-E528 PolarHBondContact N-O 3.07Å; I364-E528 PolarHBondContact O-N 3.31Å; K366-E528 VanDerWaalsContact CE-CD 3.46Å; K366-E528 WeakPolarHBondContact CE-OE1 3.42Å; K366-E528 WeakPolarHBondContact CE-OE2 3.04Å; K366-E528 IonicContact NZ-OE1 3.12Å; K366-E528 PolarHBondContact NZ-OE1 3.22Å; K366-E528 IonicContact NZ-OE2 2.82Å; K366-E528 PolarHBondContact NZ-OE2 3.36Å |
| 529 | L | 86.3 | Confident | 88.9 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.1 | 173.8 | -56.3 | -178 | 0 | 0 | 0 | 109.5 | A363 F436 L480 | A363-L529 HydrophobicContact CB-CD2 3.9Å; F436-L529 HydrophobicContact CB-CD2 3.96Å; F436-L529 HydrophobicContact CD1-CD2 3.51Å; F436-L529 HydrophobicContact CE1-CD2 4.19Å; F436-L529 HydrophobicContact CG-CD2 3.74Å; L480-L529 HydrophobicContact CD1-CD1 4.23Å; L480-L529 HydrophobicContact CD1-CD2 4.38Å; L480-L529 HydrophobicContact CD1-CG 3.96Å; L480-L529 HydrophobicContact CD2-CD1 4.39Å |
| 530 | L | 85.1 | Confident | 88.8 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | trans | -114.4 | 168.3 | -175.7 | -56.2 | 179.9 | 0 | 0 | 0 | 111.3 | R361 P362 I364 E532 T534 | R361-L530 VanDerWaalsContact CG-O 3.25Å; R361-L530 WeakPolarHBondContact CG-O 3.37Å; R361-L530 PolarHBondContact NE-O 3.44Å; P362-L530 HydrophobicContact CB-CB 4.45Å; P362-L530 WeakPolarHBondContact O-CA 3.32Å; P362-L530 PolarHBondContact O-N 3.02Å; I364-L530 HydrophobicContact CB-CD1 4.43Å; I364-L530 HydrophobicContact CD1-CD1 4.17Å; I364-L530 HydrophobicContact CD1-CD2 4.32Å; I364-L530 HydrophobicContact CG1-CD1 4.04Å; I364-L530 HydrophobicContact CG1-CD2 4.41Å; I364-L530 HydrophobicContact CG1-CG 4.29Å; I364-L530 HydrophobicContact CG2-CD1 3.74Å; L530-E532 WeakPolarHBondContact CB-O 3.1Å; L530-T534 WeakPolarHBondContact CD1-OG1 3.47Å | ||
| 531 | D | 77.8 | Confident | 88.6 | Confident | 137 Ų | 137 | 56.8 Ų | 56.8 | 73% | 0.733 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -99 | -29.3 | 172.6 | -58.2 | -27.4 | 0 | 0 | 0 | 111.6 | R361 | R361-D531 IonicContact CZ-OD1 2.72Å; R361-D531 IonicContact NE-OD1 3.03Å; R361-D531 IonicContact NH2-OD1 2.81Å; R361-D531 PolarHBondContact NH2-OD1 2.94Å |
| 532 | E | 77.9 | Confident | 88.2 | Confident | 156 Ų | 156 | 62.6 Ų | 62.6 | 73% | 0.729 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -128.5 | 146.6 | 174.5 | -68.8 | -173.2 | 177.2 | 0 | 0 | 111.1 | L530 T534 | L530-E532 WeakPolarHBondContact CB-O 3.1Å; E532-T534 PolarHBondContact O-N 2.78Å |
| 533 | P | 75.8 | Confident | 87.8 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 57% | 0.571 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 130.4 | -179.9 | 27.5 | -34.3 | 0 | 0 | 0 | 112.1 | P362 N433 | P362-P533 HydrophobicContact CB-CB 4.29Å; N433-P533 WeakPolarHBondContact ND2-CB 3.02Å |
| 534 | T | 79.3 | Confident | 87.4 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 154.8 | 174.5 | -62.1 | 0 | 0 | 0 | 0 | 111 | N433 L530 E532 | N433-T534 WeakPolarHBondContact CB-O 3.21Å; N433-T534 VanDerWaalsContact CG-O 3.27Å; N433-T534 PolarHBondContact ND2-O 2.87Å; L530-T534 WeakPolarHBondContact CD1-OG1 3.47Å; E532-T534 PolarHBondContact O-N 2.78Å |
| 535 | A | 80.3 | Confident | 86.9 | Confident | 79 Ų | 79 | 78.1 Ų | 78.1 | 65% | 0.653 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 145.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L537 | A535-L537 PolarHBondContact O-N 2.88Š|
| 536 | D | 86.2 | Confident | 86.5 | Confident | 71 Ų | 71 | 79.6 Ų | 79.6 | 38% | 0.38 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 128.6 | 172.2 | -63.8 | -41.3 | 0 | 0 | 0 | 109.4 | K411 I413 T431 N433 | K411-D536 IonicContact NZ-OD1 3.17Å; K411-D536 PolarHBondContact NZ-OD1 3.29Å; K411-D536 IonicContact NZ-OD2 3.62Å; K411-D536 PolarHBondContact NZ-OD2 3.36Å; I413-D536 HydrophobicContact CD1-CB 3.85Å; T431-D536 WeakPolarHBondContact O-CA 3.46Å; N433-D536 WeakPolarHBondContact CB-OD1 3.45Å; N433-D536 PolarHBondContact N-OD1 3.33Å |
| 537 | L | 89.3 | Confident | 86.2 | Confident | 94 Ų | 94 | 81.1 Ų | 81.1 | 49% | 0.492 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 141.4 | -170.6 | -179.2 | 65.6 | 0 | 0 | 0 | 111.8 | T431 A535 K539 | T431-L537 PolarHBondContact N-O 2.7Å; T431-L537 PolarHBondContact O-N 2.7Å; A535-L537 PolarHBondContact O-N 2.88Å; L537-K539 HydrophobicContact CD2-CD 4.44Å |
| 538 | V | 92.2 | Very high | 85.9 | Confident | 48 Ų | 48 | 86.8 Ų | 86.8 | 29% | 0.291 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.4 | 165.6 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | I413 E428 E429 I430 | I413-V538 HydrophobicContact CG2-CG2 3.5Å; I413-V538 VanDerWaalsContact CG2-CG2 3.5Å; E428-V538 HydrophobicContact CB-CG1 4.13Å; E428-V538 HydrophobicContact CG-CG1 4.33Å; E429-V538 WeakPolarHBondContact O-CA 3.08Å; I430-V538 HydrophobicContact CG1-CG1 4.17Å; I430-V538 HydrophobicContact CG1-CG2 4.15Å |
| 539 | K | 92.4 | Very high | 85.8 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 34% | 0.343 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.9 | 178.7 | 65.1 | 176.8 | -178.6 | -179.1 | 0 | 110.7 | E428 E429 L537 | E428-K539 CarbonylContact C-O 3.51Å; E428-K539 WeakPolarHBondContact CA-O 3.31Å; E429-K539 HydrophobicContact CB-CG 3.95Å; E429-K539 PolarHBondContact N-O 3.16Å; E429-K539 PolarHBondContact O-N 2.86Å; E429-K539 WeakPolarHBondContact OE1-CE 3.39Å; E429-K539 IonicContact OE1-NZ 2.74Å; E429-K539 PolarHBondContact OE1-NZ 2.85Å; E429-K539 IonicContact OE2-NZ 2.9Å; L537-K539 HydrophobicContact CD2-CD 4.44Å |
| 540 | P | 92.8 | Very high | 85.7 | Confident | 108 Ų | 108 | 86 Ų | 86 | 70% | 0.701 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 147.8 | 172 | 27 | -34.8 | 0 | 0 | 0 | 112 | ||
| 541 | L | 90 | Very high | 85.5 | Confident | 19 Ų | 19 | 92 Ų | 92 | 10% | 0.099 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 150.9 | 175.2 | -72.9 | 172 | 0 | 0 | 0 | 112.3 | L368 Y370 N427 E429 K545 V546 | L368-L541 HydrophobicContact CB-CD1 4.26Å; L368-L541 HydrophobicContact CB-CD2 4.13Å; L368-L541 HydrophobicContact CD2-CD2 3.95Å; L368-L541 HydrophobicContact CG-CD2 3.8Å; Y370-L541 HydrophobicContact CD1-CD1 3.88Å; Y370-L541 HydrophobicContact CE1-CD1 3.78Å; N427-L541 HydrophobicContact CB-CB 4.49Å; N427-L541 HydrophobicContact CB-CD1 4.36Å; N427-L541 WeakPolarHBondContact O-CB 3.5Å; N427-L541 PolarHBondContact O-N 2.97Å; E429-L541 HydrophobicContact CB-CD2 3.76Å; E429-L541 HydrophobicContact CG-CD2 4.41Å; L541-K545 HydrophobicContact CD2-CD 3.98Å; L541-V546 HydrophobicContact CB-CG2 3.98Å; L541-V546 HydrophobicContact CD1-CG2 4.45Å |
| 542 | E | 88.8 | Confident | 85.8 | Confident | 122 Ų | 122 | 86.2 Ų | 86.2 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 139.9 | 170.4 | -67.2 | 164.6 | 170.8 | 0 | 0 | 110.8 | D544 K545 V546 | E542-D544 PolarHBondContact O-N 2.97Å; E542-K545 HydrophobicContact CB-CG 4.34Å; E542-K545 WeakPolarHBondContact O-CB 2.98Å; E542-K545 PolarHBondContact O-N 3.22Å; E542-K545 WeakPolarHBondContact OE2-CE 3.1Å; E542-V546 PolarHBondContact O-N 3.39Å |
| 543 | Q | 86.9 | Confident | 86.2 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 80% | 0.804 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58.9 | -32.3 | -175.9 | -69.8 | -177.5 | -11.3 | 0 | 0 | 113.1 | K545 V546 A547 | Q543-K545 VanDerWaalsContact C-N 3.35Å; Q543-K545 PolarHBondContact O-N 3.37Å; Q543-V546 CarbonylContact O-C 3.6Å; Q543-V546 PolarHBondContact O-N 2.94Å; Q543-A547 WeakPolarHBondContact O-CB 3.01Å; Q543-A547 PolarHBondContact O-N 2.99Å |
| 544 | D | 87.3 | Confident | 86.9 | Confident | 136 Ų | 136 | 83.3 Ų | 83.3 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.8 | -36.6 | 176.8 | -64.9 | -33.4 | 0 | 0 | 0 | 112.4 | E542 V546 A547 R548 | E542-D544 PolarHBondContact O-N 2.97Å; D544-V546 VanDerWaalsContact C-N 3.33Å; D544-A547 PolarHBondContact O-N 3.04Å; D544-R548 WeakPolarHBondContact O-CB 3.38Å; D544-R548 PolarHBondContact O-N 2.9Å |
| 545 | K | 85.5 | Confident | 87.5 | Confident | 49 Ų | 49 | 84.3 Ų | 84.3 | 21% | 0.213 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 174.2 | -62.1 | -174.8 | -178.1 | -168.9 | 0 | 111.6 | L368 Y370 E429 L541 E542 Q543 | L368-K545 HydrophobicContact CD2-CD 3.91Å; Y370-K545 PolarHBondContact OH-O 3.33Å; E429-K545 IonicContact OE2-NZ 3.96Å; E429-K545 PolarHBondContact OE2-NZ 2.73Å; L541-K545 HydrophobicContact CD2-CD 3.98Å; E542-K545 HydrophobicContact CB-CG 4.34Å; E542-K545 WeakPolarHBondContact O-CB 2.98Å; E542-K545 PolarHBondContact O-N 3.22Å; E542-K545 WeakPolarHBondContact OE2-CE 3.1Å; Q543-K545 VanDerWaalsContact C-N 3.35Å; Q543-K545 PolarHBondContact O-N 3.37Å |
| 546 | V | 87.3 | Confident | 88.1 | Confident | 32 Ų | 32 | 82.9 Ų | 82.9 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.7 | -30.7 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | N427 L541 E542 Q543 D544 I549 | N427-V546 HydrophobicContact CB-CG2 4.07Å; L541-V546 HydrophobicContact CB-CG2 3.98Å; L541-V546 HydrophobicContact CD1-CG2 4.45Å; E542-V546 PolarHBondContact O-N 3.39Å; Q543-V546 CarbonylContact O-C 3.6Å; Q543-V546 PolarHBondContact O-N 2.94Å; D544-V546 VanDerWaalsContact C-N 3.33Å; V546-I549 WeakPolarHBondContact O-CG2 3.3Å |
| 547 | A | 87 | Confident | 88.4 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 50% | 0.504 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q543 D544 I549 Q550 | Q543-A547 WeakPolarHBondContact O-CB 3.01Å; Q543-A547 PolarHBondContact O-N 2.99Å; D544-A547 PolarHBondContact O-N 3.04Å; A547-I549 VanDerWaalsContact C-N 3.34Å; A547-I549 PolarHBondContact O-N 3.19Å; A547-Q550 WeakPolarHBondContact O-CB 3.48Å; A547-Q550 WeakPolarHBondContact O-CG 3.31Å; A547-Q550 PolarHBondContact O-N 3.19Å |
| 548 | R | 85.9 | Confident | 88.6 | Confident | 133 Ų | 133 | 79.2 Ų | 79.2 | 50% | 0.502 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.3 | -43.3 | 177.2 | -175.8 | 178.3 | 70 | 166 | 1.5 | 112.5 | E524 D544 Q550 | E524-R548 IonicContact OE1-CZ 3.54Å; E524-R548 IonicContact OE1-NH1 3.82Å; E524-R548 IonicContact OE1-NH2 2.73Å; E524-R548 PolarHBondContact OE1-NH2 3.29Å; E524-R548 IonicContact OE2-CZ 2.82Å; E524-R548 IonicContact OE2-NH2 3.82Å; E524-R548 PolarHBondContact OE2-NH2 3.02Å; D544-R548 WeakPolarHBondContact O-CB 3.38Å; D544-R548 PolarHBondContact O-N 2.9Å; R548-Q550 VanDerWaalsContact C-N 3.29Å; R548-Q550 PolarHBondContact O-N 3.18Å |
| 549 | I | 86.8 | Confident | 88.7 | Confident | 6 Ų | 6 | 77.1 Ų | 77.1 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.7 | -18.8 | -173.1 | -168.6 | 63.1 | 0 | 0 | 0 | 114 | Y370 P485 L522 V546 A547 K551 S552 L553 | Y370-I549 HydrophobicContact CD1-CB 4.34Å; Y370-I549 HydrophobicContact CD1-CG1 4.45Å; Y370-I549 HydrophobicContact CD1-CG2 3.77Å; Y370-I549 HydrophobicContact CD2-CG1 4.43Å; Y370-I549 HydrophobicContact CE1-CB 4.02Å; Y370-I549 HydrophobicContact CE1-CG1 4.45Å; Y370-I549 HydrophobicContact CE1-CG2 3.72Å; Y370-I549 HydrophobicContact CE2-CD1 4.5Å; Y370-I549 HydrophobicContact CE2-CG1 4.44Å; Y370-I549 HydrophobicContact CG-CG1 4.42Å; Y370-I549 HydrophobicContact CG-CG2 4.47Å; P485-I549 HydrophobicContact CB-CD1 3.24Å; P485-I549 HydrophobicContact CG-CD1 3.8Å; L522-I549 HydrophobicContact CD1-CD1 4.33Å; L522-I549 HydrophobicContact CD2-CD1 4.02Å; L522-I549 HydrophobicContact CD2-CG1 3.63Å; L522-I549 HydrophobicContact CG-CD1 4.42Å; L522-I549 HydrophobicContact CG-CG1 4.38Å; V546-I549 WeakPolarHBondContact O-CG2 3.3Å; A547-I549 VanDerWaalsContact C-N 3.34Å; A547-I549 PolarHBondContact O-N 3.19Å; I549-K551 PolarHBondContact O-N 2.8Å; I549-S552 PolarHBondContact O-N 2.7Å; I549-L553 PolarHBondContact O-N 3.49Å |
| 550 | Q | 84.9 | Confident | 88.8 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.3 | 179.6 | -64.6 | -62.8 | -46.7 | 0 | 0 | 113.6 | A547 R548 | A547-Q550 WeakPolarHBondContact O-CB 3.48Å; A547-Q550 WeakPolarHBondContact O-CG 3.31Å; A547-Q550 PolarHBondContact O-N 3.19Å; R548-Q550 VanDerWaalsContact C-N 3.29Å; R548-Q550 PolarHBondContact O-N 3.18Å |
| 551 | K | 81.5 | Confident | 88.9 | Confident | 158 Ų | 158 | 69.1 Ų | 69.1 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -34.3 | 175.8 | -66.8 | -176.9 | -179.7 | 179.5 | 0 | 113.1 | I549 L553 R554 P700 | I549-K551 PolarHBondContact O-N 2.8Å; K551-L553 VanDerWaalsContact C-N 3.29Å; K551-R554 WeakPolarHBondContact O-CB 3.37Å; K551-R554 PolarHBondContact O-N 2.97Å; K551-P700 HydrophobicContact CB-CG 3.66Å |
| 552 | S | 83.9 | Confident | 89.1 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 12% | 0.119 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.5 | 179.2 | -47.9 | 0 | 0 | 0 | 0 | 113 | I549 R554 | I549-S552 PolarHBondContact O-N 2.7Å; S552-R554 VanDerWaalsContact C-N 3.26Å |
| 553 | L | 86.5 | Confident | 89.3 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.7 | 171.3 | -64.4 | 176.1 | 0 | 0 | 0 | 113.2 | M371 F487 L522 I549 K551 R555 | M371-L553 HydrophobicContact SD-CD1 4.18Å; M371-L553 HydrophobicContact SD-CD2 3.96Å; F487-L553 HydrophobicContact CE2-CD2 4.17Å; F487-L553 HydrophobicContact CZ-CD2 3.97Å; L522-L553 HydrophobicContact CD2-CD2 3.57Å; L522-L553 HydrophobicContact CD2-CG 4.4Å; I549-L553 PolarHBondContact O-N 3.49Å; K551-L553 VanDerWaalsContact C-N 3.29Å; L553-R555 PolarHBondContact O-N 3.15Å |
| 554 | R | 90 | Very high | 89.7 | Confident | 142 Ų | 142 | 54.2 Ų | 54.2 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | trans | -68.5 | 114.1 | 177.6 | -176 | -174.1 | -179.9 | -162.1 | -0.2 | 110.1 | K551 S552 | K551-R554 WeakPolarHBondContact O-CB 3.37Å; K551-R554 PolarHBondContact O-N 2.97Å; S552-R554 VanDerWaalsContact C-N 3.26Å | ||
| 555 | R | 92.2 | Very high | 90 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 33% | 0.328 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 154 | 176.2 | -53.1 | -176.5 | -155.8 | -140.4 | -6.4 | 111.9 | E373 L553 Q631 W632 | E373-R555 IonicContact OE1-CZ 3.41Å; E373-R555 VanDerWaalsContact OE1-CZ 3.29Å; E373-R555 IonicContact OE1-NH1 3.87Å; E373-R555 PolarHBondContact OE1-NH1 3.13Å; E373-R555 IonicContact OE1-NH2 3.52Å; E373-R555 PolarHBondContact OE1-NH2 2.92Å; E373-R555 IonicContact OE2-CZ 2.62Å; E373-R555 IonicContact OE2-NH1 3.99Å; E373-R555 IonicContact OE2-NH2 2.76Å; E373-R555 PolarHBondContact OE2-NH2 2.81Å; L553-R555 PolarHBondContact O-N 3.15Å; R555-Q631 HydrophobicContact CB-CB 4.16Å; R555-Q631 WeakPolarHBondContact CD-O 3.34Å; R555-W632 CarbonylContact C-O 3.56Å; R555-W632 WeakPolarHBondContact CA-O 3.31Å |
| 556 | R | 93 | Very high | 90.4 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 18% | 0.181 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 159.5 | 164 | -57.5 | -175 | 81 | 155.9 | 12.8 | 108.8 | Y558 Q631 W632 D634 E697 L831 | R556-Y558 HydrophobicContact CB-CE2 4.35Å; R556-Q631 VanDerWaalsContact O-CA 3.29Å; R556-Q631 WeakPolarHBondContact O-CA 3.09Å; R556-W632 PolarHBondContact N-O 3.15Å; R556-W632 PolarHBondContact O-N 3.19Å; R556-W632 VanDerWaalsContact O-N 3.07Å; R556-D634 WeakPolarHBondContact CD-OD2 3.35Å; R556-D634 HydrophobicContact CG-CB 4.04Å; R556-D634 IonicContact CZ-OD2 3.04Å; R556-D634 IonicContact NE-OD2 3.31Å; R556-D634 IonicContact NH1-OD2 2.87Å; R556-D634 PolarHBondContact NH1-OD2 3.2Å; R556-E697 IonicContact CZ-OE2 2.69Å; R556-E697 IonicContact NH1-OE2 2.67Å; R556-E697 PolarHBondContact NH1-OE2 3.41Å; R556-E697 IonicContact NH2-OE1 3.93Å; R556-E697 IonicContact NH2-OE2 2.72Å; R556-E697 PolarHBondContact NH2-OE2 2.95Å; R556-L831 HydrophobicContact CB-CD2 3.65Å; R556-L831 HydrophobicContact CG-CD2 4.4Å |
| 557 | K | 92.4 | Very high | 90.7 | Very high | 86 Ų | 86 | 46.2 Ų | 46.2 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.1 | 173.4 | -65.4 | 168.1 | 174.9 | -177.9 | 0 | 110 | S630 Q631 E832 S1075 | K557-S630 WeakPolarHBondContact CA-O 3.15Å; K557-Q631 HydrophobicContact CG-CG 4.14Å; K557-E832 HydrophobicContact CB-CB 3.98Å; K557-E832 WeakPolarHBondContact CD-OE2 3.46Å; K557-E832 IonicContact NZ-OE1 3.93Å; K557-E832 PolarHBondContact NZ-OE1 2.84Å; K557-E832 IonicContact NZ-OE2 2.67Å; K557-E832 PolarHBondContact NZ-OE2 3.21Å; K557-E832 PolarHBondContact O-N 3.37Å; K557-S1075 PolarHBondContact NZ-OG 3.02Å |
| 558 | Y | 94 | Very high | 91 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 147.2 | 172.1 | -76.1 | -98.3 | 0 | 0 | 0 | 109.6 | R556 S630 W632 L783 F829 G830 L831 | R556-Y558 HydrophobicContact CB-CE2 4.35Å; Y558-S630 PolarHBondContact N-O 3.36Å; Y558-S630 PolarHBondContact O-N 2.71Å; Y558-S630 VanDerWaalsContact O-O 3.12Å; Y558-S630 PolarHBondContact O-OG 3.47Å; Y558-W632 HydrophobicContact CD2-CB 3.93Å; Y558-W632 AromaticContact CD2-CD1 3.99Å; Y558-W632 HydrophobicContact CD2-CG 4.4Å; Y558-W632 HydrophobicContact CE2-CB 3.96Å; Y558-L783 HydrophobicContact CE1-CD1 4.31Å; Y558-F829 AromaticContact CD1-CE1 3.96Å; Y558-F829 HydrophobicContact CD1-CE1 3.96Å; Y558-F829 AromaticContact CD1-CE2 3.94Å; Y558-F829 HydrophobicContact CD1-CE2 3.94Å; Y558-F829 AromaticContact CD1-CZ 3.58Å; Y558-F829 HydrophobicContact CD1-CZ 3.58Å; Y558-F829 HydrophobicContact CE1-CE1 4.3Å; Y558-F829 HydrophobicContact CE1-CZ 4.27Å; Y558-F829 HydrophobicContact CG-CE2 4.05Å; Y558-F829 AromaticContact CG-CZ 3.85Å; Y558-F829 HydrophobicContact CG-CZ 3.85Å; Y558-G830 CarbonylContact C-O 3.35Å; Y558-G830 WeakPolarHBondContact CA-O 3.12Å; Y558-G830 WeakPolarHBondContact CD1-O 3.33Å; Y558-L831 HydrophobicContact CD1-CD2 4.11Å; Y558-L831 HydrophobicContact CD1-CG 4.39Å; Y558-L831 HydrophobicContact CD2-CD2 3.97Å; Y558-L831 HydrophobicContact CE1-CD2 3.7Å; Y558-L831 HydrophobicContact CE1-CG 3.93Å; Y558-L831 HydrophobicContact CE2-CD2 3.56Å; Y558-L831 HydrophobicContact CG-CD2 4.23Å; Y558-L831 VanDerWaalsContact CZ-CD2 3.4Å |
| 559 | Q | 93.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136 | 170.6 | -61.5 | -165.6 | -62.5 | 0 | 0 | 109.7 | Y561 D629 W828 G830 E832 | Q559-Y561 HydrophobicContact CB-CD2 4.31Å; Q559-Y561 HydrophobicContact CB-CE2 3.78Å; Q559-Y561 PolarHBondContact OE1-OH 2.84Å; Q559-D629 PolarHBondContact NE2-OD1 2.98Å; Q559-W828 HydrophobicContact CB-CZ3 4.39Å; Q559-W828 WeakPolarHBondContact O-CZ3 3.48Å; Q559-G830 PolarHBondContact N-O 2.67Å; Q559-G830 PolarHBondContact O-N 2.82Å; Q559-G830 VanDerWaalsContact O-N 3.08Å; Q559-E832 HydrophobicContact CG-CB 4.38Å; Q559-E832 HydrophobicContact CG-CG 4.49Å |
| 560 | L | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.3 | 172.5 | 170 | 60.9 | 0 | 0 | 0 | 108.5 | V562 I582 I584 M627 V628 I761 V827 W828 F829 | L560-V562 HydrophobicContact CD1-CG2 4Å; L560-V562 HydrophobicContact CG-CG2 4.26Å; L560-I582 HydrophobicContact CD2-CG2 3.43Å; L560-I582 VanDerWaalsContact CD2-CG2 3.43Å; L560-I582 HydrophobicContact CG-CG2 4.09Å; L560-I584 HydrophobicContact CD2-CB 4.29Å; L560-I584 HydrophobicContact CD2-CG2 4.04Å; L560-M627 WeakPolarHBondContact O-CA 3.28Å; L560-V628 HydrophobicContact CB-CB 4.22Å; L560-V628 HydrophobicContact CD2-CB 4.45Å; L560-V628 PolarHBondContact N-O 3.17Å; L560-V628 PolarHBondContact O-N 3.01Å; L560-I761 HydrophobicContact CD1-CD1 3.69Å; L560-I761 HydrophobicContact CD1-CG1 4.25Å; L560-I761 HydrophobicContact CD1-CG2 4.46Å; L560-I761 HydrophobicContact CD2-CB 4.48Å; L560-I761 HydrophobicContact CD2-CD1 4.28Å; L560-I761 HydrophobicContact CD2-CG1 3.9Å; L560-I761 HydrophobicContact CD2-CG2 3.84Å; L560-V827 HydrophobicContact CD1-CG1 4.01Å; L560-W828 WeakPolarHBondContact CA-O 3.38Å; L560-F829 HydrophobicContact CB-CD2 4.05Å; L560-F829 HydrophobicContact CD1-CB 4.18Å |
| 561 | Y | 93.7 | Very high | 91 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 8% | 0.078 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.7 | 171.7 | -69.4 | -86.7 | 0 | 0 | 0 | 109.6 | Q559 T626 M627 W828 W838 L847 | Q559-Y561 HydrophobicContact CB-CD2 4.31Å; Q559-Y561 HydrophobicContact CB-CE2 3.78Å; Q559-Y561 PolarHBondContact OE1-OH 2.84Å; Y561-T626 WeakPolarHBondContact CA-O 3.43Å; Y561-M627 HydrophobicContact CD1-CB 4.2Å; Y561-M627 HydrophobicContact CD1-CG 4.04Å; Y561-M627 HydrophobicContact CE1-CB 4.01Å; Y561-M627 HydrophobicContact CE1-CG 3.51Å; Y561-M627 HydrophobicContact CE1-SD 3.72Å; Y561-M627 PolarHBondContact OH-SD 3.36Å; Y561-W828 AromaticContact CD2-CE3 3.78Å; Y561-W828 HydrophobicContact CD2-CE3 3.78Å; Y561-W828 HydrophobicContact CD2-CZ3 4.08Å; Y561-W828 HydrophobicContact CE2-CE3 4.48Å; Y561-W828 HydrophobicContact CE2-CZ3 4.35Å; Y561-W828 PolarHBondContact N-O 3.11Å; Y561-W828 PolarHBondContact O-N 3.06Å; Y561-W838 AromaticContact CD1-CD1 3.85Å; Y561-W838 HydrophobicContact CD1-CG 4.42Å; Y561-W838 AromaticContact CD1-NE1 3.56Å; Y561-W838 HydrophobicContact CD2-CB 4.31Å; Y561-W838 AromaticContact CD2-CD1 3.98Å; Y561-W838 HydrophobicContact CD2-CD2 4.3Å; Y561-W838 AromaticContact CD2-CG 3.92Å; Y561-W838 HydrophobicContact CD2-CG 3.92Å; Y561-W838 HydrophobicContact CE2-CG 4.42Å; Y561-W838 AromaticContact CG-CD1 3.8Å; Y561-W838 AromaticContact CG-CD2 3.93Å; Y561-W838 HydrophobicContact CG-CD2 3.93Å; Y561-W838 AromaticContact CG-CE2 3.83Å; Y561-W838 AromaticContact CG-CG 3.92Å; Y561-W838 HydrophobicContact CG-CG 3.92Å; Y561-W838 HydrophobicContact CG-CZ2 4.46Å; Y561-W838 AromaticContact CG-NE1 3.73Å; Y561-L847 HydrophobicContact CE1-CD1 4.43Å |
| 562 | V | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 115.1 | 171.1 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | L560 F564 I582 C625 T626 V825 V826 V827 | L560-V562 HydrophobicContact CD1-CG2 4Å; L560-V562 HydrophobicContact CG-CG2 4.26Å; V562-F564 HydrophobicContact CB-CE2 4.15Å; V562-F564 HydrophobicContact CG1-CD2 4.07Å; V562-F564 HydrophobicContact CG1-CE2 3.71Å; V562-F564 HydrophobicContact CG1-CZ 4.1Å; V562-I582 HydrophobicContact CB-CD1 4.31Å; V562-I582 HydrophobicContact CB-CG1 4.08Å; V562-I582 HydrophobicContact CG1-CD1 4.18Å; V562-I582 HydrophobicContact CG1-CG1 4.39Å; V562-I582 HydrophobicContact CG2-CD1 4.05Å; V562-I582 HydrophobicContact CG2-CG1 3.97Å; V562-I582 HydrophobicContact CG2-CG2 3.93Å; V562-C625 CarbonylContact O-C 3.49Å; V562-C625 VanDerWaalsContact O-CA 3.29Å; V562-C625 WeakPolarHBondContact O-CA 3.32Å; V562-T626 WeakPolarHBondContact CB-OG1 3.44Å; V562-T626 PolarHBondContact N-O 3.49Å; V562-T626 PolarHBondContact O-N 2.91Å; V562-V825 HydrophobicContact CG1-CB 4.1Å; V562-V825 HydrophobicContact CG1-CG1 4.23Å; V562-V826 CarbonylContact C-O 3.54Å; V562-V826 VanDerWaalsContact CA-O 3.3Å; V562-V826 WeakPolarHBondContact CA-O 3.33Å; V562-V827 HydrophobicContact CG1-CG2 4.07Å; V562-V827 HydrophobicContact CG2-CG1 4.16Å; V562-V827 HydrophobicContact CG2-CG2 4.25Å |
| 563 | A | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | V825 V826 W838 M1107 | A563-V825 CarbonylContact O-C 3.39Å; A563-V825 VanDerWaalsContact O-CA 3.23Å; A563-V825 WeakPolarHBondContact O-CA 3.27Å; A563-V826 HydrophobicContact CB-CB 4.34Å; A563-V826 PolarHBondContact N-O 3.47Å; A563-V826 PolarHBondContact O-N 3.06Å; A563-W838 HydrophobicContact CB-CH2 3.97Å; A563-W838 HydrophobicContact CB-CZ2 4.26Å; A563-M1107 HydrophobicContact CB-CE 4.38Å; A563-M1107 HydrophobicContact CB-CG 4.12Å |
| 564 | F | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 102.9 | -179.6 | -69.6 | -102.8 | 0 | 0 | 0 | 110 | V562 F580 I582 T602 W619 P624 T626 I763 L823 V825 | V562-F564 HydrophobicContact CB-CE2 4.15Å; V562-F564 HydrophobicContact CG1-CD2 4.07Å; V562-F564 HydrophobicContact CG1-CE2 3.71Å; V562-F564 HydrophobicContact CG1-CZ 4.1Å; F564-F580 HydrophobicContact CD1-CB 4.41Å; F564-F580 HydrophobicContact CD1-CD2 4.19Å; F564-F580 HydrophobicContact CD1-CG 4.49Å; F564-F580 HydrophobicContact CE1-CB 3.52Å; F564-F580 HydrophobicContact CE1-CD2 4.06Å; F564-F580 AromaticContact CE1-CG 3.9Å; F564-F580 HydrophobicContact CE1-CG 3.9Å; F564-F580 HydrophobicContact CZ-CB 3.76Å; F564-I582 HydrophobicContact CE2-CD1 4.29Å; F564-I582 HydrophobicContact CE2-CG1 3.97Å; F564-I582 HydrophobicContact CZ-CD1 3.7Å; F564-I582 HydrophobicContact CZ-CG1 3.78Å; F564-T602 HydrophobicContact CD1-CG2 4.16Å; F564-T602 HydrophobicContact CD2-CG2 3.7Å; F564-T602 HydrophobicContact CE1-CG2 4.2Å; F564-T602 HydrophobicContact CE2-CG2 3.75Å; F564-T602 HydrophobicContact CG-CG2 3.91Å; F564-T602 HydrophobicContact CZ-CG2 3.98Å; F564-W619 HydrophobicContact CB-CE3 4.34Å; F564-W619 HydrophobicContact CB-CH2 3.76Å; F564-W619 HydrophobicContact CB-CZ3 3.54Å; F564-W619 HydrophobicContact CD1-CH2 4.14Å; F564-W619 HydrophobicContact CG-CH2 4.27Å; F564-W619 HydrophobicContact CG-CZ3 4.5Å; F564-P624 HydrophobicContact CB-CB 4.45Å; F564-P624 PolarHBondContact N-O 3Å; F564-T626 HydrophobicContact CE2-CG2 3.87Å; F564-I763 HydrophobicContact CE1-CG2 4.46Å; F564-L823 HydrophobicContact CE1-CD1 4.23Å; F564-V825 HydrophobicContact CD1-CG1 3.72Å; F564-V825 HydrophobicContact CE1-CG1 4.07Å; F564-V825 HydrophobicContact CG-CG1 4.18Å |
| 565 | L | 92.6 | Very high | 86.5 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -41.4 | -175.5 | -54.9 | -178.1 | 0 | 0 | 0 | 112 | K623 A798 R824 V826 F1109 | L565-K623 WeakPolarHBondContact O-CD 3.37Å; L565-K623 WeakPolarHBondContact O-CE 3.4Å; L565-K623 PolarHBondContact O-NZ 3.27Å; L565-A798 HydrophobicContact CD1-CB 4.23Å; L565-R824 HydrophobicContact CB-CB 4.43Å; L565-R824 HydrophobicContact CB-CG 4.45Å; L565-R824 WeakPolarHBondContact CB-O 3.37Å; L565-R824 HydrophobicContact CD1-CG 4.31Å; L565-R824 PolarHBondContact N-O 3.41Å; L565-V826 HydrophobicContact CD1-CG2 3.86Å; L565-V826 HydrophobicContact CD2-CG2 4.38Å; L565-V826 HydrophobicContact CG-CG2 4.23Å; L565-F1109 HydrophobicContact CD2-CE2 4.32Å; L565-F1109 HydrophobicContact CD2-CZ 4.05Å |
| 566 | S | 93.1 | Very high | 85.5 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 150.2 | 177.5 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | L823 R824 Q1145 | S566-L823 WeakPolarHBondContact O-CA 3.32Å; S566-R824 PolarHBondContact N-O 3.02Å; S566-R824 PolarHBondContact O-N 3.48Å; S566-R824 WeakPolarHBondContact OG-CB 3.37Å; S566-Q1145 PolarHBondContact OG-OE1 3.2Å |
| 567 | A | 94.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F580 Y616 L617 W619 Q822 L823 | A567-F580 HydrophobicContact CB-CE2 3.59Å; A567-F580 HydrophobicContact CB-CZ 3.96Å; A567-Y616 CarbonylContact O-C 3.41Å; A567-Y616 VanDerWaalsContact O-CA 3.24Å; A567-Y616 WeakPolarHBondContact O-CA 3.24Å; A567-Y616 WeakPolarHBondContact O-CB 3.02Å; A567-L617 HydrophobicContact CB-CB 4.25Å; A567-L617 HydrophobicContact CB-CD1 4.12Å; A567-L617 HydrophobicContact CB-CG 4.03Å; A567-L617 PolarHBondContact O-N 2.87Å; A567-W619 HydrophobicContact CB-CH2 3.65Å; A567-W619 HydrophobicContact CB-CZ2 4.37Å; A567-W619 HydrophobicContact CB-CZ3 3.87Å; A567-Q822 WeakPolarHBondContact CA-O 3.18Å; A567-L823 HydrophobicContact CB-CD2 3.68Å |
| 568 | T | 93.1 | Very high | 85.1 | Confident | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | -178.8 | -166.2 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | I570 Y615 Q822 G1146 | T568-I570 PolarHBondContact O-N 2.85Å; T568-Y615 CarbonylContact C-O 3.52Å; T568-Q822 PolarHBondContact N-O 3.37Å; T568-Q822 PolarHBondContact O-N 2.69Å; T568-Q822 PolarHBondContact OG1-O 2.95Å; T568-G1146 VanDerWaalsContact CG2-N 3.32Å |
| 569 | M | 90.5 | Very high | 85 | Confident | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | trans | 57.2 | 33.3 | 179.1 | -62.4 | -70.2 | -69.4 | 0 | 0 | 113.6 | Y614 Y615 Q822 S1143 M1188 | M569-Y614 HydrophobicContact CB-CD1 4.33Å; M569-Y614 HydrophobicContact CE-CD1 4.39Å; M569-Y614 HydrophobicContact CE-CD2 4.06Å; M569-Y614 HydrophobicContact CE-CE1 3.86Å; M569-Y614 HydrophobicContact CE-CE2 3.47Å; M569-Y614 VanDerWaalsContact CE-CE2 3.47Å; M569-Y614 HydrophobicContact CE-CG 4.48Å; M569-Y614 HydrophobicContact SD-CD1 4.19Å; M569-Y614 HydrophobicContact SD-CD2 3.57Å; M569-Y614 VanDerWaalsContact SD-CD2 3.57Å; M569-Y614 HydrophobicContact SD-CE1 4.26Å; M569-Y614 HydrophobicContact SD-CE2 3.65Å; M569-Y614 HydrophobicContact SD-CG 3.86Å; M569-Y615 PolarHBondContact N-O 3.23Å; M569-Q822 HydrophobicContact CB-CB 4.01Å; M569-Q822 HydrophobicContact CG-CB 4.07Å; M569-S1143 WeakPolarHBondContact SD-CB 3.14Å; M569-M1188 HydrophobicContact CG-CG 4.5Å | ||
| 570 | I | 90.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 137.8 | -178.3 | -55.5 | 176.7 | 0 | 0 | 0 | 109.8 | T568 I578 P607 Y615 L617 M765 A821 | T568-I570 PolarHBondContact O-N 2.85Å; I570-I578 HydrophobicContact CD1-CD1 4.3Å; I570-I578 HydrophobicContact CG2-CD1 3.52Å; I570-P607 HydrophobicContact CG2-CB 4.34Å; I570-P607 HydrophobicContact CG2-CG 4.26Å; I570-Y615 WeakPolarHBondContact CB-O 3.36Å; I570-Y615 PolarHBondContact N-O 2.95Å; I570-Y615 PolarHBondContact O-N 3.27Å; I570-L617 HydrophobicContact CD1-CD2 3.75Å; I570-L617 HydrophobicContact CD1-CG 3.78Å; I570-M765 HydrophobicContact CG2-CE 4.22Å; I570-A821 HydrophobicContact CG1-CB 3.98Å |
| 571 | E | 76.8 | Confident | 85.1 | Confident | 52 Ų | 52 | 31.8 Ų | 31.8 | 24% | 0.243 | 16% | 0.162 | C | C | . | . | trans | -85 | 138.4 | 175.6 | -173.3 | 174.5 | -154.5 | 0 | 0 | 111.4 | K573 K818 | E571-K573 HydrophobicContact CG-CB 4.41Å; E571-K573 HydrophobicContact CG-CD 4.24Å; E571-K573 HydrophobicContact CG-CG 4.13Å; E571-K573 PolarHBondContact O-N 3.46Å; E571-K573 VanDerWaalsContact OE1-CE 3.28Å; E571-K573 WeakPolarHBondContact OE1-CE 2.99Å; E571-K573 IonicContact OE1-NZ 3.23Å; E571-K573 PolarHBondContact OE1-NZ 2.99Å; E571-K573 IonicContact OE2-NZ 2.74Å; E571-K818 IonicContact OE1-NZ 2.76Å; E571-K818 PolarHBondContact OE1-NZ 2.99Å | ||
| 572 | E | 64.4 | Low | 85.2 | Confident | 130 Ų | 130 | 30.8 Ų | 30.8 | 61% | 0.607 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -22.2 | -175.6 | -169.9 | 170.9 | 155.8 | 0 | 0 | 115.1 | S574 Y615 | E572-S574 PolarHBondContact O-N 3.15Å; E572-Y615 HydrophobicContact CB-CD2 4.04Å; E572-Y615 HydrophobicContact CB-CE2 3.51Å; E572-Y615 HydrophobicContact CG-CE1 4.38Å; E572-Y615 HydrophobicContact CG-CE2 3.86Å; E572-Y615 PolarHBondContact OE2-OH 2.84Å |
| 573 | K | 61 | Low | 85.2 | Confident | 156 Ų | 156 | 31 Ų | 31 | 68% | 0.678 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 5.1 | -173.6 | -66 | 177.9 | -176.8 | 151.2 | 0 | 115.5 | E571 D575 | E571-K573 HydrophobicContact CG-CB 4.41Å; E571-K573 HydrophobicContact CG-CD 4.24Å; E571-K573 HydrophobicContact CG-CG 4.13Å; E571-K573 PolarHBondContact O-N 3.46Å; E571-K573 VanDerWaalsContact OE1-CE 3.28Å; E571-K573 WeakPolarHBondContact OE1-CE 2.99Å; E571-K573 IonicContact OE1-NZ 3.23Å; E571-K573 PolarHBondContact OE1-NZ 2.99Å; E571-K573 IonicContact OE2-NZ 2.74Å; K573-D575 PolarHBondContact O-N 3.02Å |
| 574 | S | 59.2 | Low | 85.3 | Confident | 11 Ų | 11 | 31 Ų | 31 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | trans | -75.5 | 93 | 167.6 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | E572 G576 K1045 | E572-S574 PolarHBondContact O-N 3.15Å; S574-G576 PolarHBondContact O-N 2.92Å; S574-K1045 PolarHBondContact O-NZ 3.47Å | ||
| 575 | D | 62 | Low | 85.2 | Confident | 154 Ų | 154 | 31.3 Ų | 31.3 | 82% | 0.824 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -63.7 | -12.6 | 171.2 | -76.5 | -30.2 | 0 | 0 | 0 | 113.8 | K573 K1045 | K573-D575 PolarHBondContact O-N 3.02Å; D575-K1045 WeakPolarHBondContact O-CE 3.32Å |
| 576 | G | 73.1 | Confident | 85.1 | Confident | 13 Ų | 13 | 30 Ų | 30 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -125.3 | 169 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S574 | S574-G576 PolarHBondContact O-N 2.92Š|
| 577 | P | 85.6 | Confident | 85.1 | Confident | 47 Ų | 47 | 30.7 Ų | 30.7 | 31% | 0.305 | 16% | 0.157 | S | C | . | . | trans | -65 | 157.1 | 172.8 | 30.6 | -36.3 | 0 | 0 | 0 | 110.9 | P604 G768 | P577-P604 HydrophobicContact CB-CB 4.1Å; P577-P604 HydrophobicContact CG-CB 4.24Å; P577-G768 PolarHBondContact O-N 2.78Å | ||
| 578 | I | 91 | Very high | 84.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.9 | -176.1 | -55.6 | -172.3 | 0 | 0 | 0 | 109.8 | I570 F580 P604 T605 P607 L617 M765 L766 | I570-I578 HydrophobicContact CD1-CD1 4.3Å; I570-I578 HydrophobicContact CG2-CD1 3.52Å; I578-F580 HydrophobicContact CG2-CE1 4.32Å; I578-F580 HydrophobicContact CG2-CE2 4.49Å; I578-F580 HydrophobicContact CG2-CZ 4.04Å; I578-P604 WeakPolarHBondContact O-CA 3.45Å; I578-T605 PolarHBondContact N-O 2.91Å; I578-T605 PolarHBondContact O-N 2.94Å; I578-P607 HydrophobicContact CD1-CG 3.44Å; I578-P607 VanDerWaalsContact CD1-CG 3.44Å; I578-P607 HydrophobicContact CG1-CG 3.8Å; I578-L617 HydrophobicContact CB-CD1 4.37Å; I578-L617 HydrophobicContact CB-CD2 4.37Å; I578-L617 HydrophobicContact CG2-CD1 4.34Å; I578-M765 HydrophobicContact CD1-CE 3.69Å; I578-M765 HydrophobicContact CG2-CE 4.13Å; I578-M765 HydrophobicContact CG2-CG 4.07Å; I578-L766 WeakPolarHBondContact CA-O 3.17Å |
| 579 | E | 91.6 | Very high | 84.6 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.6 | 167.7 | 61.1 | -178.4 | -170.5 | 0 | 0 | 110.1 | K590 T602 P604 L766 | E579-K590 IonicContact OE1-NZ 2.87Å; E579-K590 PolarHBondContact OE1-NZ 3.3Å; E579-K590 IonicContact OE2-NZ 3.65Å; E579-K590 PolarHBondContact OE2-NZ 3.48Å; E579-T602 WeakPolarHBondContact CA-OG1 3.02Å; E579-P604 HydrophobicContact CB-CB 4.3Å; E579-L766 HydrophobicContact CG-CB 3.84Å; E579-L766 PolarHBondContact N-O 2.86Å; E579-L766 PolarHBondContact O-N 3.28Å |
| 580 | F | 95.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.8 | 171.3 | -56.6 | -72.7 | 0 | 0 | 0 | 110.1 | F564 A567 I578 T601 T602 L617 W619 W764 M765 L803 L823 | F564-F580 HydrophobicContact CD1-CB 4.41Å; F564-F580 HydrophobicContact CD1-CD2 4.19Å; F564-F580 HydrophobicContact CD1-CG 4.49Å; F564-F580 HydrophobicContact CE1-CB 3.52Å; F564-F580 HydrophobicContact CE1-CD2 4.06Å; F564-F580 AromaticContact CE1-CG 3.9Å; F564-F580 HydrophobicContact CE1-CG 3.9Å; F564-F580 HydrophobicContact CZ-CB 3.76Å; A567-F580 HydrophobicContact CB-CE2 3.59Å; A567-F580 HydrophobicContact CB-CZ 3.96Å; I578-F580 HydrophobicContact CG2-CE1 4.32Å; I578-F580 HydrophobicContact CG2-CE2 4.49Å; I578-F580 HydrophobicContact CG2-CZ 4.04Å; F580-T601 CarbonylContact O-C 3.44Å; F580-T601 WeakPolarHBondContact O-CA 3.21Å; F580-T601 WeakPolarHBondContact O-CB 3.22Å; F580-T602 HydrophobicContact CB-CG2 4.01Å; F580-T602 HydrophobicContact CD2-CG2 4.28Å; F580-T602 PolarHBondContact N-OG1 3.2Å; F580-T602 PolarHBondContact O-N 2.81Å; F580-L617 HydrophobicContact CD2-CD1 4.48Å; F580-L617 HydrophobicContact CE2-CD1 3.63Å; F580-L617 HydrophobicContact CZ-CD1 4.27Å; F580-W619 AromaticContact CD2-CH2 3.89Å; F580-W619 HydrophobicContact CD2-CH2 3.89Å; F580-W619 HydrophobicContact CD2-CZ2 4.06Å; F580-W619 AromaticContact CE2-CH2 3.86Å; F580-W619 HydrophobicContact CE2-CH2 3.86Å; F580-W619 HydrophobicContact CE2-CZ2 4.06Å; F580-W764 CarbonylContact C-O 3.55Å; F580-W764 VanDerWaalsContact CA-O 3.22Å; F580-W764 WeakPolarHBondContact CA-O 3.2Å; F580-M765 HydrophobicContact CD1-CB 3.99Å; F580-M765 HydrophobicContact CD1-CG 4.3Å; F580-M765 HydrophobicContact CE1-CB 3.82Å; F580-M765 HydrophobicContact CE1-CG 3.72Å; F580-M765 HydrophobicContact CE1-SD 4.37Å; F580-L803 HydrophobicContact CD1-CD1 4.42Å; F580-L803 HydrophobicContact CE1-CD1 4Å; F580-L823 HydrophobicContact CD1-CD1 3.94Å; F580-L823 HydrophobicContact CD1-CD2 4.24Å; F580-L823 HydrophobicContact CD2-CD2 4.35Å; F580-L823 HydrophobicContact CE1-CD1 4.05Å; F580-L823 HydrophobicContact CE1-CD2 3.6Å; F580-L823 HydrophobicContact CE1-CG 4.41Å; F580-L823 HydrophobicContact CE2-CD2 3.71Å; F580-L823 HydrophobicContact CG-CD1 4.32Å; F580-L823 HydrophobicContact CZ-CD1 4.5Å; F580-L823 HydrophobicContact CZ-CD2 3.31Å |
| 581 | E | 95.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.4 | 176.2 | 172.6 | -173.3 | 73.1 | 0 | 0 | 109.9 | K590 T601 I763 W764 L766 R771 | E581-K590 WeakPolarHBondContact OE2-CB 3.47Å; E581-K590 WeakPolarHBondContact OE2-CG 3.21Å; E581-K590 PolarHBondContact OE2-N 3.48Å; E581-T601 HydrophobicContact CB-CG2 3.65Å; E581-T601 HydrophobicContact CG-CG2 3.82Å; E581-I763 CarbonylContact O-C 3.53Å; E581-I763 WeakPolarHBondContact O-CA 3.37Å; E581-W764 HydrophobicContact CB-CB 4.2Å; E581-W764 PolarHBondContact N-O 2.76Å; E581-W764 PolarHBondContact O-N 2.66Å; E581-L766 HydrophobicContact CB-CD1 3.54Å; E581-R771 IonicContact OE1-CZ 2.99Å; E581-R771 IonicContact OE1-NE 2.72Å; E581-R771 PolarHBondContact OE1-NE 3.12Å; E581-R771 IonicContact OE1-NH2 2.66Å; E581-R771 PolarHBondContact OE1-NH2 2.86Å; E581-R771 IonicContact OE2-NH2 2.68Å |
| 582 | I | 95.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.8 | 174.4 | -62.6 | -59.3 | 0 | 0 | 0 | 108.7 | L560 V562 F564 S600 T626 V628 I761 I763 | L560-I582 HydrophobicContact CD2-CG2 3.43Å; L560-I582 VanDerWaalsContact CD2-CG2 3.43Å; L560-I582 HydrophobicContact CG-CG2 4.09Å; V562-I582 HydrophobicContact CB-CD1 4.31Å; V562-I582 HydrophobicContact CB-CG1 4.08Å; V562-I582 HydrophobicContact CG1-CD1 4.18Å; V562-I582 HydrophobicContact CG1-CG1 4.39Å; V562-I582 HydrophobicContact CG2-CD1 4.05Å; V562-I582 HydrophobicContact CG2-CG1 3.97Å; V562-I582 HydrophobicContact CG2-CG2 3.93Å; F564-I582 HydrophobicContact CE2-CD1 4.29Å; F564-I582 HydrophobicContact CE2-CG1 3.97Å; F564-I582 HydrophobicContact CZ-CD1 3.7Å; F564-I582 HydrophobicContact CZ-CG1 3.78Å; I582-S600 PolarHBondContact N-O 3.08Å; I582-S600 WeakPolarHBondContact O-CB 3.33Å; I582-T626 HydrophobicContact CG1-CG2 4.35Å; I582-T626 WeakPolarHBondContact CG1-OG1 3.47Å; I582-V628 HydrophobicContact CG2-CG2 4.27Å; I582-I761 HydrophobicContact CG2-CG2 4.22Å; I582-I763 HydrophobicContact CD1-CB 4.05Å; I582-I763 HydrophobicContact CD1-CD1 3.99Å; I582-I763 HydrophobicContact CD1-CG1 3.57Å; I582-I763 HydrophobicContact CD1-CG2 3.91Å |
| 583 | S | 94.9 | Very high | 84 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.4 | 175.7 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | H587 I761 I762 | S583-H587 CarbonylContact C-O 3.3Å; S583-H587 WeakPolarHBondContact CA-O 3.23Å; S583-H587 WeakPolarHBondContact CB-O 3.2Å; S583-I761 WeakPolarHBondContact O-CA 3.4Å; S583-I762 PolarHBondContact N-O 2.63Å; S583-I762 PolarHBondContact O-N 2.87Å |
| 584 | I | 94.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 116.2 | 168.5 | -176.8 | 171.5 | 0 | 0 | 0 | 108.3 | L560 N586 H587 V628 W632 I758 P759 I761 F829 | L560-I584 HydrophobicContact CD2-CB 4.29Å; L560-I584 HydrophobicContact CD2-CG2 4.04Å; I584-N586 PolarHBondContact O-N 3.04Å; I584-H587 HydrophobicContact CG2-CB 4.29Å; I584-H587 PolarHBondContact N-O 3.32Å; I584-H587 WeakPolarHBondContact O-CB 3.29Å; I584-H587 PolarHBondContact O-N 3.21Å; I584-V628 HydrophobicContact CG2-CG1 4.19Å; I584-W632 HydrophobicContact CG1-CZ2 4.08Å; I584-I758 HydrophobicContact CD1-CG2 3.94Å; I584-P759 HydrophobicContact CG1-CB 4.31Å; I584-I761 HydrophobicContact CB-CG1 4.31Å; I584-I761 HydrophobicContact CD1-CG1 4Å; I584-I761 HydrophobicContact CG1-CG1 4.38Å; I584-F829 HydrophobicContact CD1-CD2 4.31Å; I584-F829 HydrophobicContact CD1-CE1 4.38Å; I584-F829 HydrophobicContact CD1-CE2 3.66Å; I584-F829 HydrophobicContact CD1-CZ 3.7Å |
| 585 | G | 92.8 | Very high | 85.7 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -135 | -164.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y517 H587 | Y517-G585 VanDerWaalsContact CD1-CA 3.41Å; G585-H587 VanDerWaalsContact C-N 3.34Å |
| 586 | N | 91.7 | Very high | 86.3 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -15.9 | 170.1 | -74.7 | -6 | 0 | 0 | 0 | 113.6 | D374 R495 I584 G588 N589 D592 V595 | D374-N586 VanDerWaalsContact CB-ND2 3.26Å; D374-N586 WeakPolarHBondContact CB-ND2 3.33Å; R495-N586 PolarHBondContact NH1-OD1 2.94Å; I584-N586 PolarHBondContact O-N 3.04Å; N586-G588 PolarHBondContact O-N 3.37Å; N586-N589 PolarHBondContact O-N 3.44Å; N586-D592 VanDerWaalsContact CG-OD2 3.27Å; N586-D592 PolarHBondContact ND2-OD2 3.37Å; N586-D592 PolarHBondContact OD1-OD2 2.86Å; N586-V595 HydrophobicContact CB-CG2 3.59Å |
| 587 | H | 92.4 | Very high | 86.7 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -68.5 | 126.4 | -178.6 | -64.3 | -101.3 | 0 | 0 | 0 | 110.9 | S583 I584 G585 V595 V628 D629 S630 W632 | S583-H587 CarbonylContact C-O 3.3Å; S583-H587 WeakPolarHBondContact CA-O 3.23Å; S583-H587 WeakPolarHBondContact CB-O 3.2Å; I584-H587 HydrophobicContact CG2-CB 4.29Å; I584-H587 PolarHBondContact N-O 3.32Å; I584-H587 WeakPolarHBondContact O-CB 3.29Å; I584-H587 PolarHBondContact O-N 3.21Å; G585-H587 VanDerWaalsContact C-N 3.34Å; H587-V595 HydrophobicContact CB-CG1 4.48Å; H587-V595 VanDerWaalsContact ND1-CG1 3.32Å; H587-V595 WeakPolarHBondContact ND1-CG1 3.33Å; H587-V628 HydrophobicContact CB-CG1 3.62Å; H587-D629 PolarHBondContact ND1-O 3.28Å; H587-S630 WeakPolarHBondContact ND1-CA 3.28Å; H587-W632 AromaticContact CD2-CZ2 3.87Å |
| 588 | G | 89.5 | Confident | 86.6 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -11.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | N586 K590 S600 | N586-G588 PolarHBondContact O-N 3.37Å; G588-K590 PolarHBondContact O-N 3.01Å; G588-S600 VanDerWaalsContact CA-CB 3.46Å; G588-S600 WeakPolarHBondContact O-CB 3.44Å; G588-S600 PolarHBondContact O-OG 2.81Å |
| 589 | N | 88.6 | Confident | 86.5 | Confident | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | trans | -70.7 | 114.3 | 174 | 175.9 | 2.4 | 0 | 0 | 0 | 110.7 | N586 L591 D592 R771 | N586-N589 PolarHBondContact O-N 3.44Å; N589-L591 PolarHBondContact O-N 3.37Å; N589-L591 VanDerWaalsContact O-N 3.16Å; N589-L591 PolarHBondContact OD1-N 3.07Å; N589-D592 HydrophobicContact CB-CB 4.03Å; N589-D592 PolarHBondContact O-N 3.48Å; N589-D592 VanDerWaalsContact O-N 3.13Å; N589-R771 PolarHBondContact OD1-NH2 2.88Å | ||
| 590 | K | 79.7 | Confident | 86.5 | Confident | 91 Ų | 91 | 31.3 Ų | 31.3 | 40% | 0.396 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.1 | -179.9 | -82.7 | 173 | 158.4 | 160.6 | 0 | 115.2 | E579 E581 G588 T601 | E579-K590 IonicContact OE1-NZ 2.87Å; E579-K590 PolarHBondContact OE1-NZ 3.3Å; E579-K590 IonicContact OE2-NZ 3.65Å; E579-K590 PolarHBondContact OE2-NZ 3.48Å; E581-K590 WeakPolarHBondContact OE2-CB 3.47Å; E581-K590 WeakPolarHBondContact OE2-CG 3.21Å; E581-K590 PolarHBondContact OE2-N 3.48Å; G588-K590 PolarHBondContact O-N 3.01Å; K590-T601 HydrophobicContact CD-CG2 3.72Å; K590-T601 VanDerWaalsContact CE-OG1 3.27Å; K590-T601 WeakPolarHBondContact CE-OG1 3.42Å; K590-T601 HydrophobicContact CG-CG2 4.11Å; K590-T601 VanDerWaalsContact NZ-CG2 3.32Å; K590-T601 PolarHBondContact NZ-OG1 2.93Å |
| 591 | L | 77 | Confident | 86.3 | Confident | 82 Ų | 82 | 32.1 Ų | 32.1 | 43% | 0.429 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 6.3 | -178.7 | -58.1 | -177.2 | 0 | 0 | 0 | 112.8 | R495 Y497 N589 | R495-L591 WeakPolarHBondContact O-CD1 3.18Å; Y497-L591 HydrophobicContact CE2-CB 4.38Å; N589-L591 PolarHBondContact O-N 3.37Å; N589-L591 VanDerWaalsContact O-N 3.16Å; N589-L591 PolarHBondContact OD1-N 3.07Å |
| 592 | D | 78.3 | Confident | 86.3 | Confident | 22 Ų | 22 | 32.2 Ų | 32.2 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | trans | -106.8 | 111.7 | 178 | -156.5 | -62.3 | 0 | 0 | 0 | 111.8 | R495 N586 N589 S594 | R495-D592 IonicContact CZ-OD2 3.91Å; R495-D592 IonicContact NH1-OD2 2.67Å; R495-D592 PolarHBondContact NH1-OD2 3.07Å; R495-D592 IonicContact NH2-OD2 2.71Å; R495-D592 PolarHBondContact NH2-OD2 3.1Å; N586-D592 VanDerWaalsContact CG-OD2 3.27Å; N586-D592 PolarHBondContact ND2-OD2 3.37Å; N586-D592 PolarHBondContact OD1-OD2 2.86Å; N589-D592 HydrophobicContact CB-CB 4.03Å; N589-D592 PolarHBondContact O-N 3.48Å; N589-D592 VanDerWaalsContact O-N 3.13Å; D592-S594 VanDerWaalsContact OD1-CB 3.28Å; D592-S594 WeakPolarHBondContact OD1-CB 3.36Å; D592-S594 PolarHBondContact OD1-N 3.23Å; D592-S594 PolarHBondContact OD1-OG 2.86Å | ||
| 593 | E | 73.3 | Confident | 85.9 | Confident | 159 Ų | 159 | 32.5 Ų | 32.5 | 74% | 0.743 | 18% | 0.181 | S | C | * | . | trans | -91 | 4.2 | -179.2 | -62.3 | -171.4 | 178.8 | 0 | 0 | 113.8 | K1097 | E593-K1097 PolarHBondContact O-NZ 2.92Š| ||
| 594 | S | 75.8 | Confident | 85.6 | Confident | 51 Ų | 51 | 33.7 Ų | 33.7 | 36% | 0.357 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -73.8 | -45.3 | 175.4 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | D592 K1097 | D592-S594 VanDerWaalsContact OD1-CB 3.28Å; D592-S594 WeakPolarHBondContact OD1-CB 3.36Å; D592-S594 PolarHBondContact OD1-N 3.23Å; D592-S594 PolarHBondContact OD1-OG 2.86Å; S594-K1097 VanDerWaalsContact C-NZ 3.3Å; S594-K1097 PolarHBondContact O-NZ 2.91Å |
| 595 | V | 80.7 | Confident | 85.3 | Confident | 26 Ų | 26 | 33.7 Ų | 33.7 | 16% | 0.158 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -84.2 | 164.8 | -173.1 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | N586 H587 K1097 | N586-V595 HydrophobicContact CB-CG2 3.59Å; H587-V595 HydrophobicContact CB-CG1 4.48Å; H587-V595 VanDerWaalsContact ND1-CG1 3.32Å; H587-V595 WeakPolarHBondContact ND1-CG1 3.33Å; V595-K1097 PolarHBondContact O-NZ 2.88Å |
| 596 | T | 75.1 | Confident | 85 | Confident | 82 Ų | 82 | 35 Ų | 35 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -70.5 | 136.1 | 168.4 | -55 | 0 | 0 | 0 | 0 | 110.3 | V1078 | T596-V1078 HydrophobicContact CG2-CG2 4.43Š|
| 597 | P | 80.3 | Confident | 84.8 | Confident | 52 Ų | 52 | 35.7 Ų | 35.7 | 34% | 0.338 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 138.2 | 175.2 | -27.3 | 36 | 0 | 0 | 0 | 113.2 | V1078 V1102 | P597-V1078 VanDerWaalsContact O-CG2 3.24Å; P597-V1078 WeakPolarHBondContact O-CG2 3.5Å; P597-V1102 HydrophobicContact CB-CG1 3.63Å |
| 598 | C | 84.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 35 Ų | 35 | 9% | 0.088 | 20% | 0.197 | C | C | . | . | trans | -120 | 162.4 | 177.2 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | S600 V628 | C598-S600 PolarHBondContact O-N 3.31Å; C598-V628 HydrophobicContact CB-CB 4.47Å; C598-V628 HydrophobicContact CB-CG1 4.33Å; C598-V628 HydrophobicContact CB-CG2 4.35Å | ||
| 599 | A | 88.2 | Confident | 83.8 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 58.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T626 M627 I1105 | A599-T626 CarbonylContact O-C 3.56Å; A599-T626 WeakPolarHBondContact O-CA 3.43Å; A599-T626 WeakPolarHBondContact O-CB 3.4Å; A599-M627 CarbonylContact C-O 3.59Å; A599-M627 PolarHBondContact N-O 3.44Å; A599-M627 PolarHBondContact O-N 3.08Å; A599-I1105 HydrophobicContact CB-CD1 3.8Å; A599-I1105 HydrophobicContact CB-CG1 4.17Å |
| 600 | S | 91.6 | Very high | 83.3 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | trans | -86.8 | -4.1 | -167 | 57.5 | 0 | 0 | 0 | 0 | 115.4 | I582 G588 C598 T626 | I582-S600 PolarHBondContact N-O 3.08Å; I582-S600 WeakPolarHBondContact O-CB 3.33Å; G588-S600 VanDerWaalsContact CA-CB 3.46Å; G588-S600 WeakPolarHBondContact O-CB 3.44Å; G588-S600 PolarHBondContact O-OG 2.81Å; C598-S600 PolarHBondContact O-N 3.31Å; S600-T626 VanDerWaalsContact C-CG2 3.44Å; S600-T626 WeakPolarHBondContact O-CG2 3.48Å | ||
| 601 | T | 92.1 | Very high | 82.7 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 10% | 0.104 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -133.1 | 142 | -170.8 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | F580 E581 K590 R1104 | F580-T601 CarbonylContact O-C 3.44Å; F580-T601 WeakPolarHBondContact O-CA 3.21Å; F580-T601 WeakPolarHBondContact O-CB 3.22Å; E581-T601 HydrophobicContact CB-CG2 3.65Å; E581-T601 HydrophobicContact CG-CG2 3.82Å; K590-T601 HydrophobicContact CD-CG2 3.72Å; K590-T601 VanDerWaalsContact CE-OG1 3.27Å; K590-T601 WeakPolarHBondContact CE-OG1 3.42Å; K590-T601 HydrophobicContact CG-CG2 4.11Å; K590-T601 VanDerWaalsContact NZ-CG2 3.32Å; K590-T601 PolarHBondContact NZ-OG1 2.93Å; T601-R1104 PolarHBondContact O-NH1 3.11Å |
| 602 | T | 93.7 | Very high | 82.6 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 159.4 | 170.5 | 70.6 | 0 | 0 | 0 | 0 | 110.1 | F564 E579 F580 W619 P624 R1104 | F564-T602 HydrophobicContact CD1-CG2 4.16Å; F564-T602 HydrophobicContact CD2-CG2 3.7Å; F564-T602 HydrophobicContact CE1-CG2 4.2Å; F564-T602 HydrophobicContact CE2-CG2 3.75Å; F564-T602 HydrophobicContact CG-CG2 3.91Å; F564-T602 HydrophobicContact CZ-CG2 3.98Å; E579-T602 WeakPolarHBondContact CA-OG1 3.02Å; F580-T602 HydrophobicContact CB-CG2 4.01Å; F580-T602 HydrophobicContact CD2-CG2 4.28Å; F580-T602 PolarHBondContact N-OG1 3.2Å; F580-T602 PolarHBondContact O-N 2.81Å; T602-W619 HydrophobicContact CG2-CZ2 4.3Å; T602-P624 HydrophobicContact CG2-CB 3.85Å; T602-P624 HydrophobicContact CG2-CG 4.47Å; T602-R1104 VanDerWaalsContact C-NH1 3.29Å; T602-R1104 PolarHBondContact O-NH1 2.79Å |
| 603 | P | 89.4 | Confident | 82.5 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 145.3 | 165.6 | 27 | -34.9 | 0 | 0 | 0 | 110.2 | T605 P624 F1106 | P603-T605 PolarHBondContact O-N 3.03Å; P603-P624 HydrophobicContact CG-CG 4.24Å; P603-F1106 HydrophobicContact CG-CE1 4.15Å; P603-F1106 HydrophobicContact CG-CZ 4.36Å |
| 604 | P | 88.1 | Confident | 83.2 | Confident | 30 Ų | 30 | 27.6 Ų | 27.6 | 20% | 0.195 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 116.8 | 170.2 | 29.1 | -34.2 | 0 | 0 | 0 | 109.7 | P577 I578 E579 N879 | P577-P604 HydrophobicContact CB-CB 4.1Å; P577-P604 HydrophobicContact CG-CB 4.24Å; I578-P604 WeakPolarHBondContact O-CA 3.45Å; E579-P604 HydrophobicContact CB-CB 4.3Å; P604-N879 WeakPolarHBondContact CD-ND2 3.25Å; P604-N879 WeakPolarHBondContact CG-ND2 3.48Å |
| 605 | T | 88.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -119 | 142.6 | -175.6 | -71.2 | 0 | 0 | 0 | 0 | 109.4 | I578 P603 L617 E907 | I578-T605 PolarHBondContact N-O 2.91Å; I578-T605 PolarHBondContact O-N 2.94Å; P603-T605 PolarHBondContact O-N 3.03Å; T605-L617 HydrophobicContact CG2-CB 3.94Å; T605-L617 HydrophobicContact CG2-CD2 4.13Å; T605-L617 HydrophobicContact CG2-CG 4.45Å; T605-E907 WeakPolarHBondContact CA-OE1 3.28Å; T605-E907 WeakPolarHBondContact CB-OE1 3.18Å; T605-E907 WeakPolarHBondContact CG2-OE1 3.3Å; T605-E907 PolarHBondContact OG1-OE1 2.92Å |
| 606 | N | 86.3 | Confident | 84.2 | Confident | 31 Ų | 31 | 27.2 Ų | 27.2 | 17% | 0.166 | 16% | 0.156 | C | C | . | . | trans | -79.5 | 136.6 | 174.5 | -53.6 | -78.6 | 0 | 0 | 0 | 109.4 | V608 S909 L910 | N606-V608 PolarHBondContact O-N 2.69Å; N606-S909 VanDerWaalsContact CB-OG 3.31Å; N606-S909 WeakPolarHBondContact CB-OG 3.28Å; N606-S909 PolarHBondContact N-OG 2.74Å; N606-S909 VanDerWaalsContact N-OG 3.14Å; N606-S909 PolarHBondContact ND2-OG 3.14Å; N606-S909 VanDerWaalsContact O-CB 3.27Å; N606-S909 WeakPolarHBondContact O-CB 3.41Å; N606-L910 WeakPolarHBondContact ND2-CD2 3.44Å | ||
| 607 | P | 87.2 | Confident | 84.9 | Confident | 19 Ų | 19 | 23.6 Ų | 23.6 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | trans | -64.8 | 134 | 173.3 | -20.1 | 33.6 | 0 | 0 | 0 | 110.9 | I570 I578 Y615 L617 | I570-P607 HydrophobicContact CG2-CB 4.34Å; I570-P607 HydrophobicContact CG2-CG 4.26Å; I578-P607 HydrophobicContact CD1-CG 3.44Å; I578-P607 VanDerWaalsContact CD1-CG 3.44Å; I578-P607 HydrophobicContact CG1-CG 3.8Å; P607-Y615 HydrophobicContact CB-CD1 3.97Å; P607-Y615 HydrophobicContact CB-CG 4.16Å; P607-L617 HydrophobicContact CB-CD2 4.21Å; P607-L617 HydrophobicContact CG-CD2 4.05Å | ||
| 608 | V | 80.7 | Confident | 85.2 | Confident | 16 Ų | 16 | 21.4 Ų | 21.4 | 10% | 0.097 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.2 | 174.1 | 175.6 | 0 | 0 | 0 | 0 | 108.8 | N606 Y615 Y616 P618 Y912 | N606-V608 PolarHBondContact O-N 2.69Å; V608-Y615 CarbonylContact O-C 3.57Å; V608-Y615 WeakPolarHBondContact O-CA 3.33Å; V608-Y616 HydrophobicContact CB-CE1 4.34Å; V608-Y616 HydrophobicContact CG1-CE1 4.19Å; V608-Y616 PolarHBondContact N-O 2.93Å; V608-Y616 VanDerWaalsContact O-CD1 3.27Å; V608-Y616 WeakPolarHBondContact O-CD1 3.44Å; V608-Y616 PolarHBondContact O-N 2.95Å; V608-P618 HydrophobicContact CB-CG 4.37Å; V608-P618 HydrophobicContact CG2-CG 3.77Å; V608-Y912 HydrophobicContact CG1-CD1 3.63Å; V608-Y912 HydrophobicContact CG1-CE1 4.15Å; V608-Y912 HydrophobicContact CG1-CG 4.05Å; V608-Y912 HydrophobicContact CG2-CD1 4.45Å; V608-Y912 HydrophobicContact CG2-CD2 4.31Å; V608-Y912 HydrophobicContact CG2-CG 4.08Å |
| 609 | S | 80.9 | Confident | 85.3 | Confident | 17 Ų | 17 | 21.6 Ų | 21.6 | 12% | 0.119 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 139.6 | -179.4 | -179.3 | 0 | 0 | 0 | 0 | 111 | G611 Y615 | S609-G611 PolarHBondContact O-N 2.9Å; S609-G611 PolarHBondContact OG-N 2.91Å; S609-Y615 VanDerWaalsContact N-CD1 3.34Å |
| 610 | D | 77.3 | Confident | 85 | Confident | 15 Ų | 15 | 22.9 Ų | 22.9 | 8% | 0.08 | 13% | 0.131 | C | C | . | . | trans | -71.8 | -8.5 | 171.2 | 67.5 | 1.1 | 0 | 0 | 0 | 113.9 | L612 H613 Y614 Y616 G1146 S1148 | D610-L612 PolarHBondContact OD1-N 3.41Å; D610-H613 PolarHBondContact OD1-N 3Å; D610-Y614 WeakPolarHBondContact CB-O 3.18Å; D610-Y614 PolarHBondContact N-O 2.91Å; D610-Y614 PolarHBondContact OD1-N 2.93Å; D610-Y614 VanDerWaalsContact OD1-N 3.15Å; D610-Y614 VanDerWaalsContact OD1-O 3.05Å; D610-Y614 WeakPolarHBondContact OD2-CB 3.49Å; D610-Y614 PolarHBondContact OD2-N 2.93Å; D610-Y614 VanDerWaalsContact OD2-N 3.15Å; D610-Y616 HydrophobicContact CB-CD1 4.47Å; D610-G1146 WeakPolarHBondContact CB-O 3.25Å; D610-S1148 VanDerWaalsContact OD2-CB 3.3Å; D610-S1148 WeakPolarHBondContact OD2-CB 3.39Å; D610-S1148 PolarHBondContact OD2-OG 3.11Å | ||
| 611 | G | 66.8 | Low | 84.5 | Confident | 22 Ų | 22 | 25.8 Ų | 25.8 | 23% | 0.227 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 104.3 | -12.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S609 G917 | S609-G611 PolarHBondContact O-N 2.9Å; S609-G611 PolarHBondContact OG-N 2.91Å; G611-G917 WeakPolarHBondContact CA-O 3.04Å |
| 612 | L | 74.8 | Confident | 84.1 | Confident | 77 Ų | 77 | 27.4 Ų | 27.4 | 40% | 0.403 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -130.4 | -62.2 | -172.1 | -178.2 | 69.3 | 0 | 0 | 0 | 113.3 | D610 E1150 | D610-L612 PolarHBondContact OD1-N 3.41Å; L612-E1150 HydrophobicContact CD2-CB 4.35Å; L612-E1150 HydrophobicContact CD2-CG 3.82Å |
| 613 | H | 77.5 | Confident | 84.1 | Confident | 72 Ų | 72 | 28.7 Ų | 28.7 | 33% | 0.333 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -144.8 | -37.2 | -172.8 | -162.3 | 88.5 | 0 | 0 | 0 | 114.7 | D610 R1141 | D610-H613 PolarHBondContact OD1-N 3Å; H613-R1141 PolarHBondContact ND1-NH2 2.8Å |
| 614 | Y | 87.4 | Confident | 84.3 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 7% | 0.071 | 16% | 0.158 | C | C | . | . | trans | -103 | 166.1 | -174 | -73.3 | -70.7 | 0 | 0 | 0 | 112.7 | M569 D610 E1190 | M569-Y614 HydrophobicContact CB-CD1 4.33Å; M569-Y614 HydrophobicContact CE-CD1 4.39Å; M569-Y614 HydrophobicContact CE-CD2 4.06Å; M569-Y614 HydrophobicContact CE-CE1 3.86Å; M569-Y614 HydrophobicContact CE-CE2 3.47Å; M569-Y614 VanDerWaalsContact CE-CE2 3.47Å; M569-Y614 HydrophobicContact CE-CG 4.48Å; M569-Y614 HydrophobicContact SD-CD1 4.19Å; M569-Y614 HydrophobicContact SD-CD2 3.57Å; M569-Y614 VanDerWaalsContact SD-CD2 3.57Å; M569-Y614 HydrophobicContact SD-CE1 4.26Å; M569-Y614 HydrophobicContact SD-CE2 3.65Å; M569-Y614 HydrophobicContact SD-CG 3.86Å; D610-Y614 WeakPolarHBondContact CB-O 3.18Å; D610-Y614 PolarHBondContact N-O 2.91Å; D610-Y614 PolarHBondContact OD1-N 2.93Å; D610-Y614 VanDerWaalsContact OD1-N 3.15Å; D610-Y614 VanDerWaalsContact OD1-O 3.05Å; D610-Y614 WeakPolarHBondContact OD2-CB 3.49Å; D610-Y614 PolarHBondContact OD2-N 2.93Å; D610-Y614 VanDerWaalsContact OD2-N 3.15Å; Y614-E1190 PolarHBondContact OH-OE1 2.89Å; Y614-E1190 PolarHBondContact OH-OE2 3.02Å | ||
| 615 | Y | 87.6 | Confident | 84.6 | Confident | 33 Ų | 33 | 27.2 Ų | 27.2 | 13% | 0.129 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.5 | 173.4 | -68.1 | -107.3 | 0 | 0 | 0 | 110.4 | T568 M569 I570 E572 P607 V608 S609 | T568-Y615 CarbonylContact C-O 3.52Å; M569-Y615 PolarHBondContact N-O 3.23Å; I570-Y615 WeakPolarHBondContact CB-O 3.36Å; I570-Y615 PolarHBondContact N-O 2.95Å; I570-Y615 PolarHBondContact O-N 3.27Å; E572-Y615 HydrophobicContact CB-CD2 4.04Å; E572-Y615 HydrophobicContact CB-CE2 3.51Å; E572-Y615 HydrophobicContact CG-CE1 4.38Å; E572-Y615 HydrophobicContact CG-CE2 3.86Å; E572-Y615 PolarHBondContact OE2-OH 2.84Å; P607-Y615 HydrophobicContact CB-CD1 3.97Å; P607-Y615 HydrophobicContact CB-CG 4.16Å; V608-Y615 CarbonylContact O-C 3.57Å; V608-Y615 WeakPolarHBondContact O-CA 3.33Å; S609-Y615 VanDerWaalsContact N-CD1 3.34Å |
| 616 | Y | 89.3 | Confident | 84.8 | Confident | 36 Ų | 36 | 27.2 Ų | 27.2 | 14% | 0.141 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.2 | 177.6 | 72.5 | -80.7 | 0 | 0 | 0 | 110.7 | A567 V608 D610 P618 | A567-Y616 CarbonylContact O-C 3.41Å; A567-Y616 VanDerWaalsContact O-CA 3.24Å; A567-Y616 WeakPolarHBondContact O-CA 3.24Å; A567-Y616 WeakPolarHBondContact O-CB 3.02Å; V608-Y616 HydrophobicContact CB-CE1 4.34Å; V608-Y616 HydrophobicContact CG1-CE1 4.19Å; V608-Y616 PolarHBondContact N-O 2.93Å; V608-Y616 VanDerWaalsContact O-CD1 3.27Å; V608-Y616 WeakPolarHBondContact O-CD1 3.44Å; V608-Y616 PolarHBondContact O-N 2.95Å; D610-Y616 HydrophobicContact CB-CD1 4.47Å; Y616-P618 HydrophobicContact CD2-CB 4.48Å; Y616-P618 HydrophobicContact CE2-CB 3.87Å |
| 617 | L | 90.9 | Very high | 85 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | trans | -100.4 | 114.4 | 175.9 | -53.8 | -169.6 | 0 | 0 | 0 | 110.1 | A567 I570 I578 F580 T605 P607 W619 | A567-L617 HydrophobicContact CB-CB 4.25Å; A567-L617 HydrophobicContact CB-CD1 4.12Å; A567-L617 HydrophobicContact CB-CG 4.03Å; A567-L617 PolarHBondContact O-N 2.87Å; I570-L617 HydrophobicContact CD1-CD2 3.75Å; I570-L617 HydrophobicContact CD1-CG 3.78Å; I578-L617 HydrophobicContact CB-CD1 4.37Å; I578-L617 HydrophobicContact CB-CD2 4.37Å; I578-L617 HydrophobicContact CG2-CD1 4.34Å; F580-L617 HydrophobicContact CD2-CD1 4.48Å; F580-L617 HydrophobicContact CE2-CD1 3.63Å; F580-L617 HydrophobicContact CZ-CD1 4.27Å; T605-L617 HydrophobicContact CG2-CB 3.94Å; T605-L617 HydrophobicContact CG2-CD2 4.13Å; T605-L617 HydrophobicContact CG2-CG 4.45Å; P607-L617 HydrophobicContact CB-CD2 4.21Å; P607-L617 HydrophobicContact CG-CD2 4.05Å; L617-W619 HydrophobicContact CB-CD2 4.32Å; L617-W619 HydrophobicContact CB-CZ2 4.14Å; L617-W619 HydrophobicContact CD1-CH2 4.32Å; L617-W619 HydrophobicContact CD1-CZ2 3.62Å; L617-W619 HydrophobicContact CG-CZ2 4.49Å; L617-W619 PolarHBondContact O-N 2.95Å | ||
| 618 | P | 86.1 | Confident | 85.3 | Confident | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | trans | -83.6 | 75.7 | -173.1 | 34.5 | -38.8 | 0 | 0 | 0 | 112.4 | V608 Y616 G620 Y912 | V608-P618 HydrophobicContact CB-CG 4.37Å; V608-P618 HydrophobicContact CG2-CG 3.77Å; Y616-P618 HydrophobicContact CD2-CB 4.48Å; Y616-P618 HydrophobicContact CE2-CB 3.87Å; P618-G620 VanDerWaalsContact C-N 3.34Å; P618-G620 PolarHBondContact O-N 3.12Å; P618-Y912 HydrophobicContact CB-CD2 4.41Å; P618-Y912 HydrophobicContact CB-CE2 3.52Å; P618-Y912 WeakPolarHBondContact CB-OH 3.44Å; P618-Y912 HydrophobicContact CG-CD2 4.17Å; P618-Y912 HydrophobicContact CG-CE2 3.73Å | ||
| 619 | W | 86.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 26.4 Ų | 26.4 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | trans | -76.3 | -11.5 | -178.5 | -64.7 | -40.7 | 0 | 0 | 0 | 115.8 | F564 A567 F580 T602 L617 P624 | F564-W619 HydrophobicContact CB-CE3 4.34Å; F564-W619 HydrophobicContact CB-CH2 3.76Å; F564-W619 HydrophobicContact CB-CZ3 3.54Å; F564-W619 HydrophobicContact CD1-CH2 4.14Å; F564-W619 HydrophobicContact CG-CH2 4.27Å; F564-W619 HydrophobicContact CG-CZ3 4.5Å; A567-W619 HydrophobicContact CB-CH2 3.65Å; A567-W619 HydrophobicContact CB-CZ2 4.37Å; A567-W619 HydrophobicContact CB-CZ3 3.87Å; F580-W619 AromaticContact CD2-CH2 3.89Å; F580-W619 HydrophobicContact CD2-CH2 3.89Å; F580-W619 HydrophobicContact CD2-CZ2 4.06Å; F580-W619 AromaticContact CE2-CH2 3.86Å; F580-W619 HydrophobicContact CE2-CH2 3.86Å; F580-W619 HydrophobicContact CE2-CZ2 4.06Å; T602-W619 HydrophobicContact CG2-CZ2 4.3Å; L617-W619 HydrophobicContact CB-CD2 4.32Å; L617-W619 HydrophobicContact CB-CZ2 4.14Å; L617-W619 HydrophobicContact CD1-CH2 4.32Å; L617-W619 HydrophobicContact CD1-CZ2 3.62Å; L617-W619 HydrophobicContact CG-CZ2 4.49Å; L617-W619 PolarHBondContact O-N 2.95Å; W619-P624 HydrophobicContact CB-CG 4.45Å; W619-P624 VanDerWaalsContact CD2-CD 3.47Å; W619-P624 HydrophobicContact CD2-CG 3.6Å; W619-P624 HydrophobicContact CE3-CG 4.14Å; W619-P624 HydrophobicContact CG-CG 3.75Å; W619-P624 HydrophobicContact CZ2-CG 4.09Å | ||
| 620 | G | 81.6 | Confident | 86.3 | Confident | 33 Ų | 33 | 25.7 Ų | 25.7 | 34% | 0.34 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -146.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | P618 K623 | P618-G620 VanDerWaalsContact C-N 3.34Å; P618-G620 PolarHBondContact O-N 3.12Å; G620-K623 WeakPolarHBondContact O-CD 3.3Å; G620-K623 WeakPolarHBondContact O-CE 3.23Å; G620-K623 PolarHBondContact O-NZ 3.12Å |
| 621 | D | 81.2 | Confident | 87 | Confident | 68 Ų | 68 | 29.7 Ų | 29.7 | 36% | 0.364 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -25.8 | 179.6 | -60.7 | -37.4 | 0 | 0 | 0 | 114.1 | K623 F1109 | D621-K623 VanDerWaalsContact C-N 3.32Å; D621-K623 PolarHBondContact O-N 3.01Å; D621-K623 VanDerWaalsContact O-N 3.11Å; D621-F1109 PolarHBondContact O-N 3.44Å |
| 622 | D | 85.2 | Confident | 88.3 | Confident | 51 Ų | 51 | 28.7 Ų | 28.7 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 71.6 | -179 | -74.4 | -44.1 | 0 | 0 | 0 | 109.4 | F1106 R1108 | D622-F1106 HydrophobicContact CB-CB 4.34Å; D622-F1106 HydrophobicContact CB-CD1 4.21Å; D622-F1106 HydrophobicContact CB-CG 4.38Å; D622-F1106 VanDerWaalsContact O-CD1 3.29Å; D622-F1106 WeakPolarHBondContact O-CD1 3.18Å; D622-R1108 WeakPolarHBondContact OD1-CB 3.28Å; D622-R1108 WeakPolarHBondContact OD1-CD 3.04Å; D622-R1108 WeakPolarHBondContact OD1-CG 3.44Å; D622-R1108 IonicContact OD1-CZ 2.94Å; D622-R1108 IonicContact OD1-NE 3.13Å; D622-R1108 IonicContact OD1-NH1 2.88Å; D622-R1108 PolarHBondContact OD1-NH1 2.88Å; D622-R1108 IonicContact OD2-CZ 3.5Å; D622-R1108 IonicContact OD2-NH1 3.44Å; D622-R1108 PolarHBondContact OD2-NH1 3.01Å; D622-R1108 IonicContact OD2-NH2 3.56Å |
| 623 | K | 92.2 | Very high | 89.2 | Confident | 28 Ų | 28 | 25.2 Ų | 25.2 | 12% | 0.122 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 129.2 | -178.6 | -59.7 | -52.9 | -174 | -167.2 | 0 | 111 | L565 G620 D621 C625 F1106 M1107 F1109 C1174 | L565-K623 WeakPolarHBondContact O-CD 3.37Å; L565-K623 WeakPolarHBondContact O-CE 3.4Å; L565-K623 PolarHBondContact O-NZ 3.27Å; G620-K623 WeakPolarHBondContact O-CD 3.3Å; G620-K623 WeakPolarHBondContact O-CE 3.23Å; G620-K623 PolarHBondContact O-NZ 3.12Å; D621-K623 VanDerWaalsContact C-N 3.32Å; D621-K623 PolarHBondContact O-N 3.01Å; D621-K623 VanDerWaalsContact O-N 3.11Å; K623-C625 PolarHBondContact O-N 2.67Å; K623-F1106 CarbonylContact O-C 3.53Å; K623-F1106 WeakPolarHBondContact O-CA 3.26Å; K623-M1107 HydrophobicContact CB-CB 4.26Å; K623-M1107 PolarHBondContact N-O 3.24Å; K623-M1107 PolarHBondContact O-N 2.99Å; K623-F1109 HydrophobicContact CB-CE2 4.14Å; K623-F1109 HydrophobicContact CG-CD2 3.82Å; K623-F1109 HydrophobicContact CG-CE2 3.61Å; K623-C1174 WeakPolarHBondContact CE-SG 3.5Å |
| 624 | P | 95 | Very high | 90 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 137.9 | 177.7 | -25.1 | 35.3 | 0 | 0 | 0 | 111.8 | F564 T602 P603 W619 | F564-P624 HydrophobicContact CB-CB 4.45Å; F564-P624 PolarHBondContact N-O 3Å; T602-P624 HydrophobicContact CG2-CB 3.85Å; T602-P624 HydrophobicContact CG2-CG 4.47Å; P603-P624 HydrophobicContact CG-CG 4.24Å; W619-P624 HydrophobicContact CB-CG 4.45Å; W619-P624 VanDerWaalsContact CD2-CD 3.47Å; W619-P624 HydrophobicContact CD2-CG 3.6Å; W619-P624 HydrophobicContact CE3-CG 4.14Å; W619-P624 HydrophobicContact CG-CG 3.75Å; W619-P624 HydrophobicContact CZ2-CG 4.09Å |
| 625 | C | 93.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.5 | 170.4 | -169.6 | 0 | 0 | 0 | 0 | 108.8 | V562 K623 I1105 M1107 | V562-C625 CarbonylContact O-C 3.49Å; V562-C625 VanDerWaalsContact O-CA 3.29Å; V562-C625 WeakPolarHBondContact O-CA 3.32Å; K623-C625 PolarHBondContact O-N 2.67Å; C625-I1105 HydrophobicContact CB-CB 4.3Å; C625-I1105 HydrophobicContact CB-CG2 3.96Å; C625-I1105 PolarHBondContact N-O 3.32Å; C625-I1105 WeakPolarHBondContact O-CB 3.45Å; C625-M1107 HydrophobicContact CB-CG 3.78Å |
| 626 | T | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 145 | 172.7 | 60.8 | 0 | 0 | 0 | 0 | 110 | Y561 V562 F564 I582 A599 S600 | Y561-T626 WeakPolarHBondContact CA-O 3.43Å; V562-T626 WeakPolarHBondContact CB-OG1 3.44Å; V562-T626 PolarHBondContact N-O 3.49Å; V562-T626 PolarHBondContact O-N 2.91Å; F564-T626 HydrophobicContact CE2-CG2 3.87Å; I582-T626 HydrophobicContact CG1-CG2 4.35Å; I582-T626 WeakPolarHBondContact CG1-OG1 3.47Å; A599-T626 CarbonylContact O-C 3.56Å; A599-T626 WeakPolarHBondContact O-CA 3.43Å; A599-T626 WeakPolarHBondContact O-CB 3.4Å; S600-T626 VanDerWaalsContact C-CG2 3.44Å; S600-T626 WeakPolarHBondContact O-CG2 3.48Å |
| 627 | M | 91.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 19.6 Ų | 19.6 | 7% | 0.074 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 121.2 | 176 | -173.2 | -170.4 | 83.8 | 0 | 0 | 108.8 | L560 Y561 A599 D629 C1077 I1105 | L560-M627 WeakPolarHBondContact O-CA 3.28Å; Y561-M627 HydrophobicContact CD1-CB 4.2Å; Y561-M627 HydrophobicContact CD1-CG 4.04Å; Y561-M627 HydrophobicContact CE1-CB 4.01Å; Y561-M627 HydrophobicContact CE1-CG 3.51Å; Y561-M627 HydrophobicContact CE1-SD 3.72Å; Y561-M627 PolarHBondContact OH-SD 3.36Å; A599-M627 CarbonylContact C-O 3.59Å; A599-M627 PolarHBondContact N-O 3.44Å; A599-M627 PolarHBondContact O-N 3.08Å; M627-D629 WeakPolarHBondContact CE-OD2 3.33Å; M627-C1077 HydrophobicContact CE-CB 4.44Å; M627-C1077 VanDerWaalsContact CE-SG 3.51Å; M627-I1105 HydrophobicContact CB-CD1 3.54Å; M627-I1105 HydrophobicContact SD-CD1 4.41Å |
| 628 | V | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 111.7 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | L560 I582 I584 H587 C598 | L560-V628 HydrophobicContact CB-CB 4.22Å; L560-V628 HydrophobicContact CD2-CB 4.45Å; L560-V628 PolarHBondContact N-O 3.17Å; L560-V628 PolarHBondContact O-N 3.01Å; I582-V628 HydrophobicContact CG2-CG2 4.27Å; I584-V628 HydrophobicContact CG2-CG1 4.19Å; H587-V628 HydrophobicContact CB-CG1 3.62Å; C598-V628 HydrophobicContact CB-CB 4.47Å; C598-V628 HydrophobicContact CB-CG1 4.33Å; C598-V628 HydrophobicContact CB-CG2 4.35Å |
| 629 | D | 90.2 | Very high | 91.4 | Very high | 35 Ų | 35 | 19.4 Ų | 19.4 | 19% | 0.187 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123.6 | 172.9 | -61.1 | -52.8 | 0 | 0 | 0 | 109 | Q559 H587 M627 | Q559-D629 PolarHBondContact NE2-OD1 2.98Å; H587-D629 PolarHBondContact ND1-O 3.28Å; M627-D629 WeakPolarHBondContact CE-OD2 3.33Å |
| 630 | S | 92.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 165.3 | -177.6 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | K557 Y558 H587 W632 | K557-S630 WeakPolarHBondContact CA-O 3.15Å; Y558-S630 PolarHBondContact N-O 3.36Å; Y558-S630 PolarHBondContact O-N 2.71Å; Y558-S630 VanDerWaalsContact O-O 3.12Å; Y558-S630 PolarHBondContact O-OG 3.47Å; H587-S630 WeakPolarHBondContact ND1-CA 3.28Å; S630-W632 PolarHBondContact OG-NE1 2.71Å; S630-W632 VanDerWaalsContact OG-NE1 3.09Å |
| 631 | Q | 92.2 | Very high | 92.5 | Very high | 99 Ų | 99 | 17.2 Ų | 17.2 | 46% | 0.463 | 9% | 0.089 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 116.1 | 179.8 | -65.4 | -176.4 | 24.7 | 0 | 0 | 110.8 | R555 R556 K557 | R555-Q631 HydrophobicContact CB-CB 4.16Å; R555-Q631 WeakPolarHBondContact CD-O 3.34Å; R556-Q631 VanDerWaalsContact O-CA 3.29Å; R556-Q631 WeakPolarHBondContact O-CA 3.09Å; K557-Q631 HydrophobicContact CG-CG 4.14Å |
| 632 | W | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 153.8 | -177.4 | -53.5 | 110.1 | 0 | 0 | 0 | 110.5 | R555 R556 Y558 I584 H587 S630 I758 P759 F829 | R555-W632 CarbonylContact C-O 3.56Å; R555-W632 WeakPolarHBondContact CA-O 3.31Å; R556-W632 PolarHBondContact N-O 3.15Å; R556-W632 PolarHBondContact O-N 3.19Å; R556-W632 VanDerWaalsContact O-N 3.07Å; Y558-W632 HydrophobicContact CD2-CB 3.93Å; Y558-W632 AromaticContact CD2-CD1 3.99Å; Y558-W632 HydrophobicContact CD2-CG 4.4Å; Y558-W632 HydrophobicContact CE2-CB 3.96Å; I584-W632 HydrophobicContact CG1-CZ2 4.08Å; H587-W632 AromaticContact CD2-CZ2 3.87Å; S630-W632 PolarHBondContact OG-NE1 2.71Å; S630-W632 VanDerWaalsContact OG-NE1 3.09Å; W632-I758 HydrophobicContact CB-CD1 4.31Å; W632-I758 HydrophobicContact CB-CG1 4.06Å; W632-I758 HydrophobicContact CG-CG1 4.36Å; W632-I758 HydrophobicContact CG-CG2 4.29Å; W632-P759 HydrophobicContact CH2-CG 3.6Å; W632-P759 HydrophobicContact CZ2-CG 4.02Å; W632-P759 HydrophobicContact CZ3-CG 3.85Å; W632-F829 AromaticContact CD1-CZ 3.88Å |
| 633 | E | 93.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 11.8 Ų | 11.8 | 2% | 0.023 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 139.3 | 166.8 | 68.9 | -68.9 | 155.2 | 0 | 0 | 111.6 | R520 I635 I699 S757 | R520-E633 IonicContact CZ-OE1 3.73Å; R520-E633 IonicContact CZ-OE2 3.84Å; R520-E633 VanDerWaalsContact CZ-OE2 3.26Å; R520-E633 IonicContact NH1-OE1 2.87Å; R520-E633 PolarHBondContact NH1-OE1 3.38Å; R520-E633 IonicContact NH1-OE2 3.51Å; R520-E633 PolarHBondContact NH1-OE2 3.08Å; R520-E633 IonicContact NH2-OE2 2.81Å; R520-E633 PolarHBondContact NH2-OE2 3.33Å; E633-I635 HydrophobicContact CG-CG2 4.16Å; E633-I635 PolarHBondContact O-N 3.27Å; E633-I699 HydrophobicContact CB-CG2 3.54Å; E633-I699 HydrophobicContact CG-CG2 4.02Å; E633-S757 WeakPolarHBondContact OE1-CB 3.47Å; E633-S757 PolarHBondContact OE1-OG 3.44Å |
| 634 | D | 93.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.016 | 5% | 0.054 | C | C | . | . | trans | -85.7 | 97.8 | -172.3 | -175.9 | -15.4 | 0 | 0 | 0 | 110.7 | R556 S636 N698 I699 | R556-D634 WeakPolarHBondContact CD-OD2 3.35Å; R556-D634 HydrophobicContact CG-CB 4.04Å; R556-D634 IonicContact CZ-OD2 3.04Å; R556-D634 IonicContact NE-OD2 3.31Å; R556-D634 IonicContact NH1-OD2 2.87Å; R556-D634 PolarHBondContact NH1-OD2 3.2Å; D634-S636 VanDerWaalsContact OD1-CB 3.29Å; D634-S636 WeakPolarHBondContact OD1-CB 3.06Å; D634-S636 PolarHBondContact OD1-N 3.31Å; D634-S636 VanDerWaalsContact OD1-N 3.17Å; D634-S636 PolarHBondContact OD1-OG 3.26Å; D634-N698 VanDerWaalsContact CG-ND2 3.33Å; D634-N698 WeakPolarHBondContact O-CA 3.09Å; D634-N698 WeakPolarHBondContact O-CB 3.47Å; D634-N698 PolarHBondContact OD1-ND2 3.04Å; D634-I699 PolarHBondContact O-N 2.82Å | ||
| 635 | I | 94.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -104.7 | 24.2 | 177.6 | 62.2 | 160.9 | 0 | 0 | 0 | 112.8 | E633 F637 R638 L639 I699 I758 | E633-I635 HydrophobicContact CG-CG2 4.16Å; E633-I635 PolarHBondContact O-N 3.27Å; I635-F637 PolarHBondContact O-N 2.76Å; I635-F637 VanDerWaalsContact O-N 3.09Å; I635-R638 HydrophobicContact CB-CG 4.45Å; I635-R638 WeakPolarHBondContact O-CB 2.82Å; I635-R638 PolarHBondContact O-N 2.6Å; I635-L639 HydrophobicContact CD1-CD1 3.85Å; I635-L639 HydrophobicContact CD1-CD2 3.84Å; I635-L639 HydrophobicContact CD1-CG 3.78Å; I635-L639 HydrophobicContact CG1-CD1 3.99Å; I635-L639 HydrophobicContact CG1-CG 4.01Å; I635-L639 PolarHBondContact O-N 3.3Å; I635-I699 HydrophobicContact CG2-CD1 3.45Å; I635-I699 VanDerWaalsContact CG2-CD1 3.45Å; I635-I699 HydrophobicContact CG2-CG1 3.95Å; I635-I758 HydrophobicContact CD1-CD1 4.26Å; I635-I758 HydrophobicContact CD1-CG1 4.01Å; I635-I758 HydrophobicContact CG1-CD1 3.84Å; I635-I758 HydrophobicContact CG1-CG1 4.01Å | ||
| 636 | S | 91.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 12.3 Ų | 12.3 | 13% | 0.126 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -56.6 | -32.6 | -170.9 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | D634 R638 L639 G640 | D634-S636 VanDerWaalsContact OD1-CB 3.29Å; D634-S636 WeakPolarHBondContact OD1-CB 3.06Å; D634-S636 PolarHBondContact OD1-N 3.31Å; D634-S636 VanDerWaalsContact OD1-N 3.17Å; D634-S636 PolarHBondContact OD1-OG 3.26Å; S636-R638 VanDerWaalsContact C-N 3.33Å; S636-R638 PolarHBondContact O-N 2.89Å; S636-L639 PolarHBondContact O-N 3.11Å; S636-G640 PolarHBondContact O-N 3.12Å |
| 637 | F | 94 | Very high | 94.5 | Very high | 20 Ų | 20 | 14.7 Ų | 14.7 | 9% | 0.088 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.6 | -31.5 | 175.5 | 75.8 | -87.5 | 0 | 0 | 0 | 113.8 | I635 A641 P692 W694 N698 I699 D705 | I635-F637 PolarHBondContact O-N 2.76Å; I635-F637 VanDerWaalsContact O-N 3.09Å; F637-A641 PolarHBondContact O-N 2.86Å; F637-P692 HydrophobicContact CB-CB 4.12Å; F637-W694 AromaticContact CE1-CD1 3.99Å; F637-N698 HydrophobicContact CD1-CB 3.98Å; F637-N698 HydrophobicContact CE1-CB 4.25Å; F637-I699 HydrophobicContact CE1-CG1 4.04Å; F637-D705 HydrophobicContact CE2-CB 4.07Å; F637-D705 HydrophobicContact CZ-CB 4.4Å |
| 638 | R | 95.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.011 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -72.7 | -53 | 175.1 | -59.6 | -177 | 179 | 159.8 | -1 | 110.5 | S486 I635 S636 G640 A641 V642 N702 D705 E753 Q755 | S486-R638 PolarHBondContact OG-NH1 3.43Å; S486-R638 VanDerWaalsContact OG-NH1 3.08Å; I635-R638 HydrophobicContact CB-CG 4.45Å; I635-R638 WeakPolarHBondContact O-CB 2.82Å; I635-R638 PolarHBondContact O-N 2.6Å; S636-R638 VanDerWaalsContact C-N 3.33Å; S636-R638 PolarHBondContact O-N 2.89Å; R638-G640 VanDerWaalsContact C-N 3.34Å; R638-G640 PolarHBondContact O-N 3.14Å; R638-A641 WeakPolarHBondContact O-CB 2.95Å; R638-A641 PolarHBondContact O-N 3.11Å; R638-A641 VanDerWaalsContact O-N 3.14Å; R638-V642 PolarHBondContact O-N 2.96Å; R638-V642 VanDerWaalsContact O-N 3.16Å; R638-N702 PolarHBondContact NH2-ND2 2.77Å; R638-D705 IonicContact CZ-OD1 2.63Å; R638-D705 VanDerWaalsContact CZ-OD1 3.29Å; R638-D705 IonicContact CZ-OD2 2.6Å; R638-D705 IonicContact NE-OD1 2.66Å; R638-D705 PolarHBondContact NE-OD1 3.46Å; R638-D705 IonicContact NE-OD2 3.46Å; R638-D705 VanDerWaalsContact NH2-CG 3.35Å; R638-D705 IonicContact NH2-OD1 3.34Å; R638-D705 PolarHBondContact NH2-OD1 3.2Å; R638-D705 VanDerWaalsContact NH2-OD1 3.12Å; R638-D705 IonicContact NH2-OD2 3.38Å; R638-D705 PolarHBondContact NH2-OD2 3.29Å; R638-E753 HydrophobicContact CB-CG 4.4Å; R638-Q755 VanDerWaalsContact NH1-CB 3.34Å; R638-Q755 PolarHBondContact NH1-O 3.26Å |
| 639 | L | 95.1 | Very high | 95 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.7 | -32.7 | -174.4 | -55.8 | -172.2 | 0 | 0 | 0 | 111.9 | I635 S636 A641 V642 N643 M756 I758 H780 L783 | I635-L639 HydrophobicContact CD1-CD1 3.85Å; I635-L639 HydrophobicContact CD1-CD2 3.84Å; I635-L639 HydrophobicContact CD1-CG 3.78Å; I635-L639 HydrophobicContact CG1-CD1 3.99Å; I635-L639 HydrophobicContact CG1-CG 4.01Å; I635-L639 PolarHBondContact O-N 3.3Å; S636-L639 PolarHBondContact O-N 3.11Å; L639-A641 VanDerWaalsContact C-N 3.32Å; L639-A641 PolarHBondContact O-N 2.92Å; L639-V642 WeakPolarHBondContact O-CB 3.22Å; L639-V642 PolarHBondContact O-N 3.32Å; L639-N643 WeakPolarHBondContact O-CB 2.81Å; L639-N643 VanDerWaalsContact O-CG 3.26Å; L639-N643 PolarHBondContact O-N 3.41Å; L639-N643 PolarHBondContact O-ND2 3.05Å; L639-M756 HydrophobicContact CD2-CG 3.99Å; L639-I758 HydrophobicContact CD1-CD1 4.12Å; L639-H780 HydrophobicContact CB-CB 4.16Å; L639-H780 HydrophobicContact CD1-CB 4.48Å; L639-H780 HydrophobicContact CD2-CB 4.23Å; L639-L783 HydrophobicContact CB-CD2 3.58Å; L639-L783 HydrophobicContact CD1-CD2 3.87Å; L639-L783 HydrophobicContact CG-CD2 4.35Å |
| 640 | G | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.7 | -34.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S636 R638 N643 L644 | S636-G640 PolarHBondContact O-N 3.12Å; R638-G640 VanDerWaalsContact C-N 3.34Å; R638-G640 PolarHBondContact O-N 3.14Å; G640-N643 PolarHBondContact O-N 3.4Å; G640-L644 PolarHBondContact O-N 3.34Å |
| 641 | A | 96.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 17 Ų | 17 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.1 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | F637 R638 L639 L645 L691 P692 | F637-A641 PolarHBondContact O-N 2.86Å; R638-A641 WeakPolarHBondContact O-CB 2.95Å; R638-A641 PolarHBondContact O-N 3.11Å; R638-A641 VanDerWaalsContact O-N 3.14Å; L639-A641 VanDerWaalsContact C-N 3.32Å; L639-A641 PolarHBondContact O-N 2.92Å; A641-L645 WeakPolarHBondContact O-CD1 3.36Å; A641-L645 VanDerWaalsContact O-CG 3.29Å; A641-L645 WeakPolarHBondContact O-CG 3.36Å; A641-L645 PolarHBondContact O-N 2.92Å; A641-L645 VanDerWaalsContact O-N 3.13Å; A641-L691 HydrophobicContact CB-CD2 4.3Å; A641-P692 HydrophobicContact CB-CG 4.46Å |
| 642 | V | 96.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.018 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 171.7 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | R638 L639 L644 L645 L646 A751 E753 | R638-V642 PolarHBondContact O-N 2.96Å; R638-V642 VanDerWaalsContact O-N 3.16Å; L639-V642 WeakPolarHBondContact O-CB 3.22Å; L639-V642 PolarHBondContact O-N 3.32Å; V642-L644 PolarHBondContact O-N 3.42Å; V642-L645 PolarHBondContact O-N 2.95Å; V642-L646 HydrophobicContact CG1-CD1 3.78Å; V642-L646 HydrophobicContact CG1-CG 4.2Å; V642-L646 WeakPolarHBondContact O-CG 3.22Å; V642-L646 PolarHBondContact O-N 2.85Å; V642-A751 WeakPolarHBondContact CG1-O 3.13Å; V642-A751 WeakPolarHBondContact CG2-O 3.33Å; V642-E753 HydrophobicContact CG2-CB 3.47Å; V642-E753 VanDerWaalsContact CG2-CB 3.47Å; V642-E753 HydrophobicContact CG2-CG 4.13Å |
| 643 | N | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | -177.4 | -74.5 | -17.8 | 0 | 0 | 0 | 112.9 | L639 G640 L646 R647 H780 Y790 G792 | L639-N643 WeakPolarHBondContact O-CB 2.81Å; L639-N643 VanDerWaalsContact O-CG 3.26Å; L639-N643 PolarHBondContact O-N 3.41Å; L639-N643 PolarHBondContact O-ND2 3.05Å; G640-N643 PolarHBondContact O-N 3.4Å; N643-L646 PolarHBondContact O-N 3.38Å; N643-R647 WeakPolarHBondContact O-CB 3.27Å; N643-R647 PolarHBondContact O-N 3.06Å; N643-H780 PolarHBondContact ND2-O 2.93Å; N643-H780 VanDerWaalsContact ND2-O 3.08Å; N643-H780 PolarHBondContact OD1-O 3.23Å; N643-H780 VanDerWaalsContact OD1-O 3.08Å; N643-Y790 WeakPolarHBondContact CB-O 2.92Å; N643-Y790 PolarHBondContact ND2-O 2.8Å; N643-G792 WeakPolarHBondContact ND2-CA 3.38Å; N643-G792 PolarHBondContact ND2-N 2.85Å; N643-G792 VanDerWaalsContact ND2-N 3.19Å |
| 644 | L | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 171.6 | 171.1 | 57.8 | 0 | 0 | 0 | 110.7 | G640 V642 L646 R647 I648 H689 L691 D789 Y790 | G640-L644 PolarHBondContact O-N 3.34Å; V642-L644 PolarHBondContact O-N 3.42Å; L644-L646 PolarHBondContact O-N 2.88Å; L644-R647 WeakPolarHBondContact O-CB 3.42Å; L644-R647 PolarHBondContact O-N 3.07Å; L644-R647 VanDerWaalsContact O-N 3.11Å; L644-I648 HydrophobicContact CD1-CD1 3.96Å; L644-I648 HydrophobicContact CD1-CG1 4.1Å; L644-I648 HydrophobicContact CG-CD1 4.18Å; L644-I648 WeakPolarHBondContact O-CG1 3.27Å; L644-I648 PolarHBondContact O-N 2.72Å; L644-H689 HydrophobicContact CD1-CB 3.83Å; L644-H689 HydrophobicContact CD2-CB 3.97Å; L644-L691 HydrophobicContact CD2-CD2 4.2Å; L644-D789 WeakPolarHBondContact CA-O 2.89Å; L644-D789 HydrophobicContact CD1-CB 4.25Å; L644-D789 PolarHBondContact N-O 3.43Å; L644-Y790 HydrophobicContact CB-CD1 4.31Å; L644-Y790 HydrophobicContact CD2-CE1 4.27Å |
| 645 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | -179.3 | -68.2 | 167.2 | 0 | 0 | 0 | 112.2 | A641 V642 R647 I648 A649 R712 L716 I747 L750 A751 | A641-L645 WeakPolarHBondContact O-CD1 3.36Å; A641-L645 VanDerWaalsContact O-CG 3.29Å; A641-L645 WeakPolarHBondContact O-CG 3.36Å; A641-L645 PolarHBondContact O-N 2.92Å; A641-L645 VanDerWaalsContact O-N 3.13Å; V642-L645 PolarHBondContact O-N 2.95Å; L645-R647 VanDerWaalsContact C-N 3.31Å; L645-R647 PolarHBondContact O-N 3.18Å; L645-I648 PolarHBondContact O-N 3.24Å; L645-A649 PolarHBondContact O-N 2.85Å; L645-R712 HydrophobicContact CD1-CG 4.11Å; L645-L716 HydrophobicContact CD2-CD1 4.2Å; L645-L716 HydrophobicContact CD2-CD2 3.95Å; L645-L716 HydrophobicContact CD2-CG 4.32Å; L645-I747 HydrophobicContact CB-CG2 4.16Å; L645-I747 HydrophobicContact CD2-CD1 4.3Å; L645-I747 HydrophobicContact CD2-CG2 4.26Å; L645-I747 WeakPolarHBondContact O-CG2 3.48Å; L645-L750 HydrophobicContact CD1-CB 4.01Å; L645-L750 WeakPolarHBondContact CD1-O 3.5Å; L645-L750 HydrophobicContact CD2-CB 4.42Å; L645-A751 HydrophobicContact CB-CB 3.83Å |
| 646 | L | 97.1 | Very high | 95.4 | Very high | 43 Ų | 43 | 22.7 Ų | 22.7 | 23% | 0.225 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.9 | -35.1 | 174.8 | -68.7 | 177 | 0 | 0 | 0 | 112.6 | V642 N643 L644 A649 D650 L748 A751 L793 | V642-L646 HydrophobicContact CG1-CD1 3.78Å; V642-L646 HydrophobicContact CG1-CG 4.2Å; V642-L646 WeakPolarHBondContact O-CG 3.22Å; V642-L646 PolarHBondContact O-N 2.85Å; N643-L646 PolarHBondContact O-N 3.38Å; L644-L646 PolarHBondContact O-N 2.88Å; L646-A649 PolarHBondContact O-N 3.01Å; L646-D650 WeakPolarHBondContact O-CB 3.35Å; L646-D650 PolarHBondContact O-N 3.2Å; L646-L748 HydrophobicContact CD2-CD2 4.08Å; L646-A751 HydrophobicContact CD2-CB 3.78Å; L646-A751 HydrophobicContact CG-CB 4.02Å; L646-L793 HydrophobicContact CB-CD1 4.03Å |
| 647 | R | 96.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 24.1 Ų | 24.1 | 19% | 0.189 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 174.9 | -177.2 | -179.9 | -63.6 | -85.5 | -7.1 | 111.9 | N643 L644 L645 A649 D650 H651 E788 R791 L793 | N643-R647 WeakPolarHBondContact O-CB 3.27Å; N643-R647 PolarHBondContact O-N 3.06Å; L644-R647 WeakPolarHBondContact O-CB 3.42Å; L644-R647 PolarHBondContact O-N 3.07Å; L644-R647 VanDerWaalsContact O-N 3.11Å; L645-R647 VanDerWaalsContact C-N 3.31Å; L645-R647 PolarHBondContact O-N 3.18Å; R647-A649 VanDerWaalsContact C-N 3.31Å; R647-A649 PolarHBondContact O-N 3.14Å; R647-D650 PolarHBondContact O-N 3.4Å; R647-D650 VanDerWaalsContact O-N 3.15Å; R647-H651 PolarHBondContact O-CD2 3.11Å; R647-H651 PolarHBondContact O-N 2.84Å; R647-E788 VanDerWaalsContact CZ-O 3.25Å; R647-E788 PolarHBondContact NE-O 3.2Å; R647-E788 PolarHBondContact NH2-O 2.82Å; R647-R791 PolarHBondContact NH2-O 2.86Å; R647-R791 VanDerWaalsContact NH2-O 3.08Å; R647-L793 HydrophobicContact CB-CD2 4.04Å; R647-L793 HydrophobicContact CG-CD2 4.27Å |
| 648 | I | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 174.6 | -59.7 | 177.3 | 0 | 0 | 0 | 110.9 | L644 L645 L652 F683 D686 L716 I747 | L644-I648 HydrophobicContact CD1-CD1 3.96Å; L644-I648 HydrophobicContact CD1-CG1 4.1Å; L644-I648 HydrophobicContact CG-CD1 4.18Å; L644-I648 WeakPolarHBondContact O-CG1 3.27Å; L644-I648 PolarHBondContact O-N 2.72Å; L645-I648 PolarHBondContact O-N 3.24Å; I648-L652 PolarHBondContact O-N 3.14Å; I648-L652 VanDerWaalsContact O-N 3.1Å; I648-F683 HydrophobicContact CG2-CD2 3.6Å; I648-F683 HydrophobicContact CG2-CE2 3.56Å; I648-D686 HydrophobicContact CB-CB 4.42Å; I648-D686 HydrophobicContact CD1-CB 4.09Å; I648-D686 HydrophobicContact CG1-CB 3.79Å; I648-D686 HydrophobicContact CG2-CB 3.99Å; I648-L716 HydrophobicContact CD1-CD2 4.33Å; I648-I747 HydrophobicContact CB-CG2 4.25Å; I648-I747 HydrophobicContact CG2-CD1 4.3Å; I648-I747 HydrophobicContact CG2-CG1 4.29Å; I648-I747 HydrophobicContact CG2-CG2 4.36Å |
| 649 | A | 97 | Very high | 94.4 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 5% | 0.05 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L645 L646 R647 E653 I747 L748 | L645-A649 PolarHBondContact O-N 2.85Å; L646-A649 PolarHBondContact O-N 3.01Å; R647-A649 VanDerWaalsContact C-N 3.31Å; R647-A649 PolarHBondContact O-N 3.14Å; A649-E653 PolarHBondContact O-N 2.83Å; A649-I747 HydrophobicContact CB-CG2 3.96Å; A649-L748 HydrophobicContact CB-CD2 3.65Å; A649-L748 HydrophobicContact CB-CG 3.95Å |
| 650 | D | 94.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 32.2 Ų | 32.2 | 28% | 0.278 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.3 | -41.2 | 176.5 | -176.3 | 76.5 | 0 | 0 | 0 | 112.2 | L646 R647 L652 E653 R654 L793 | L646-D650 WeakPolarHBondContact O-CB 3.35Å; L646-D650 PolarHBondContact O-N 3.2Å; R647-D650 PolarHBondContact O-N 3.4Å; R647-D650 VanDerWaalsContact O-N 3.15Å; D650-L652 PolarHBondContact O-N 2.88Å; D650-E653 PolarHBondContact O-N 2.67Å; D650-R654 WeakPolarHBondContact O-CG 3.35Å; D650-R654 PolarHBondContact O-N 3.48Å; D650-R654 IonicContact OD2-CZ 2.76Å; D650-R654 IonicContact OD2-NE 3.01Å; D650-R654 PolarHBondContact OD2-NE 2.79Å; D650-R654 IonicContact OD2-NH2 2.66Å; D650-R654 PolarHBondContact OD2-NH2 3.04Å; D650-L793 HydrophobicContact CB-CD1 4.36Å |
| 651 | H | 95.5 | Very high | 93 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 19% | 0.19 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.6 | -48.1 | 171.1 | -65 | 173.3 | 0 | 0 | 0 | 111.2 | R647 E653 R654 G655 D686 | R647-H651 PolarHBondContact O-CD2 3.11Å; R647-H651 PolarHBondContact O-N 2.84Å; H651-E653 PolarHBondContact O-N 2.81Å; H651-R654 WeakPolarHBondContact O-CB 3.41Å; H651-R654 PolarHBondContact O-N 2.91Å; H651-G655 PolarHBondContact O-N 3.41Å; H651-D686 IonicContact CE1-OD1 3.58Å; H651-D686 IonicContact CE1-OD2 3.84Å; H651-D686 IonicContact CG-OD2 3.85Å; H651-D686 IonicContact ND1-OD1 3.02Å; H651-D686 PolarHBondContact ND1-OD1 3Å; H651-D686 IonicContact ND1-OD2 3.73Å; H651-D686 PolarHBondContact ND1-OD2 2.83Å |
| 652 | L | 96.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -42.8 | 175 | -79.6 | 174.7 | 0 | 0 | 0 | 113.1 | I648 D650 R654 G655 I656 F683 L740 R744 | I648-L652 PolarHBondContact O-N 3.14Å; I648-L652 VanDerWaalsContact O-N 3.1Å; D650-L652 PolarHBondContact O-N 2.88Å; L652-R654 VanDerWaalsContact C-N 3.34Å; L652-R654 PolarHBondContact O-N 3.46Å; L652-G655 PolarHBondContact O-N 2.86Å; L652-I656 WeakPolarHBondContact O-CB 3.48Å; L652-I656 WeakPolarHBondContact O-CD1 3.45Å; L652-I656 WeakPolarHBondContact O-CG1 3.47Å; L652-I656 PolarHBondContact O-N 2.81Å; L652-F683 HydrophobicContact CD1-CD2 3.6Å; L652-F683 HydrophobicContact CD1-CE2 3.68Å; L652-F683 HydrophobicContact CD1-CG 4.24Å; L652-F683 HydrophobicContact CD1-CZ 4.35Å; L652-F683 HydrophobicContact CD2-CB 3.85Å; L652-F683 HydrophobicContact CD2-CD2 3.98Å; L652-F683 HydrophobicContact CD2-CG 3.86Å; L652-F683 HydrophobicContact CG-CB 4.46Å; L652-F683 HydrophobicContact CG-CD2 3.84Å; L652-F683 HydrophobicContact CG-CE2 4.42Å; L652-F683 HydrophobicContact CG-CG 4.26Å; L652-L740 HydrophobicContact CD2-CD2 3.71Å; L652-R744 HydrophobicContact CB-CB 4.13Å; L652-R744 HydrophobicContact CB-CG 4.44Å; L652-R744 HydrophobicContact CD1-CB 3.93Å |
| 653 | E | 94.6 | Very high | 91.4 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 177 | -177.4 | 69.6 | -125.9 | 0 | 0 | 111.9 | A649 D650 H651 S657 R744 | A649-E653 PolarHBondContact O-N 2.83Å; D650-E653 PolarHBondContact O-N 2.67Å; H651-E653 PolarHBondContact O-N 2.81Å; E653-S657 WeakPolarHBondContact O-CB 3.37Å; E653-S657 PolarHBondContact O-N 2.86Å; E653-S657 PolarHBondContact O-OG 2.85Å; E653-R744 IonicContact OE2-CZ 2.74Å; E653-R744 IonicContact OE2-NE 2.77Å; E653-R744 PolarHBondContact OE2-NE 2.87Å; E653-R744 IonicContact OE2-NH2 3.8Å; E653-R744 PolarHBondContact OE2-NH2 2.83Å |
| 654 | R | 91.2 | Very high | 90 | Very high | 145 Ų | 145 | 47.3 Ų | 47.3 | 55% | 0.547 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 174.9 | -65.4 | 168.4 | -166.4 | -130.9 | 5.6 | 111.2 | D650 H651 L652 S657 H658 | D650-R654 WeakPolarHBondContact O-CG 3.35Å; D650-R654 PolarHBondContact O-N 3.48Å; D650-R654 IonicContact OD2-CZ 2.76Å; D650-R654 IonicContact OD2-NE 3.01Å; D650-R654 PolarHBondContact OD2-NE 2.79Å; D650-R654 IonicContact OD2-NH2 2.66Å; D650-R654 PolarHBondContact OD2-NH2 3.04Å; H651-R654 WeakPolarHBondContact O-CB 3.41Å; H651-R654 PolarHBondContact O-N 2.91Å; L652-R654 VanDerWaalsContact C-N 3.34Å; L652-R654 PolarHBondContact O-N 3.46Å; R654-S657 PolarHBondContact O-N 3.26Å; R654-H658 VanDerWaalsContact O-CG 3.27Å; R654-H658 PolarHBondContact O-N 3.09Å; R654-H658 PolarHBondContact O-ND1 3.37Å |
| 655 | G | 91.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H651 L652 S657 H658 L659 S679 | H651-G655 PolarHBondContact O-N 3.41Å; L652-G655 PolarHBondContact O-N 2.86Å; G655-S657 VanDerWaalsContact C-N 3.34Å; G655-S657 PolarHBondContact O-N 2.86Å; G655-H658 PolarHBondContact O-N 3.3Å; G655-L659 WeakPolarHBondContact O-CB 3.49Å; G655-L659 PolarHBondContact O-N 3.09Å; G655-S679 VanDerWaalsContact CA-OG 3.32Å; G655-S679 WeakPolarHBondContact CA-OG 3.29Å |
| 656 | I | 94.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 174.6 | -71.6 | 162.6 | 0 | 0 | 0 | 111.1 | L652 L659 M660 L737 L740 K741 R744 | L652-I656 WeakPolarHBondContact O-CB 3.48Å; L652-I656 WeakPolarHBondContact O-CD1 3.45Å; L652-I656 WeakPolarHBondContact O-CG1 3.47Å; L652-I656 PolarHBondContact O-N 2.81Å; I656-L659 PolarHBondContact O-N 3.17Å; I656-M660 HydrophobicContact CG2-SD 4.07Å; I656-M660 WeakPolarHBondContact O-CB 3.49Å; I656-M660 WeakPolarHBondContact O-CG 3.36Å; I656-M660 PolarHBondContact O-N 2.8Å; I656-L737 HydrophobicContact CG2-CD1 4.03Å; I656-L740 HydrophobicContact CD1-CB 4.14Å; I656-L740 HydrophobicContact CG1-CB 3.86Å; I656-K741 HydrophobicContact CD1-CG 3.93Å; I656-K741 HydrophobicContact CG1-CG 4.45Å; I656-K741 HydrophobicContact CG2-CG 4.28Å; I656-R744 HydrophobicContact CD1-CB 4.35Å |
| 657 | S | 85.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -47 | 179.5 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | E653 R654 G655 L659 M660 V661 | E653-S657 WeakPolarHBondContact O-CB 3.37Å; E653-S657 PolarHBondContact O-N 2.86Å; E653-S657 PolarHBondContact O-OG 2.85Å; R654-S657 PolarHBondContact O-N 3.26Å; G655-S657 VanDerWaalsContact C-N 3.34Å; G655-S657 PolarHBondContact O-N 2.86Å; S657-L659 PolarHBondContact O-N 3.3Å; S657-M660 PolarHBondContact O-N 2.88Å; S657-V661 WeakPolarHBondContact O-CG2 3.42Å; S657-V661 PolarHBondContact O-N 2.82Å |
| 658 | H | 86.2 | Confident | 86 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 175.8 | -66.1 | 157.3 | 0 | 0 | 0 | 112 | R654 G655 V661 A662 L675 | R654-H658 VanDerWaalsContact O-CG 3.27Å; R654-H658 PolarHBondContact O-N 3.09Å; R654-H658 PolarHBondContact O-ND1 3.37Å; G655-H658 PolarHBondContact O-N 3.3Å; H658-V661 PolarHBondContact O-N 2.74Å; H658-A662 WeakPolarHBondContact O-CB 3.07Å; H658-A662 PolarHBondContact O-N 2.74Å; H658-L675 HydrophobicContact CB-CD2 4.4Å |
| 659 | L | 87.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.8 | -178.1 | 56.8 | 0 | 0 | 0 | 111.8 | G655 I656 S657 V661 A662 I663 Q672 L675 A676 I733 L737 L740 | G655-L659 WeakPolarHBondContact O-CB 3.49Å; G655-L659 PolarHBondContact O-N 3.09Å; I656-L659 PolarHBondContact O-N 3.17Å; S657-L659 PolarHBondContact O-N 3.3Å; L659-V661 VanDerWaalsContact C-N 3.35Å; L659-V661 PolarHBondContact O-N 3.23Å; L659-A662 WeakPolarHBondContact O-CB 3.42Å; L659-A662 PolarHBondContact O-N 2.77Å; L659-I663 HydrophobicContact CD1-CD1 4.22Å; L659-I663 HydrophobicContact CD1-CG1 4.4Å; L659-I663 HydrophobicContact CG-CD1 3.98Å; L659-I663 VanDerWaalsContact O-CG1 3.29Å; L659-I663 WeakPolarHBondContact O-CG1 3.43Å; L659-I663 PolarHBondContact O-N 3.05Å; L659-Q672 HydrophobicContact CD1-CB 4.11Å; L659-Q672 VanDerWaalsContact CD1-O 3.31Å; L659-Q672 WeakPolarHBondContact CD1-O 3.35Å; L659-L675 HydrophobicContact CD1-CB 4.33Å; L659-A676 HydrophobicContact CD2-CB 3.96Å; L659-I733 HydrophobicContact CD1-CG2 4.06Å; L659-I733 HydrophobicContact CD2-CG2 4.5Å; L659-L737 HydrophobicContact CD2-CB 4.3Å; L659-L737 HydrophobicContact CD2-CD1 4.06Å; L659-L737 HydrophobicContact CG-CD1 4.45Å; L659-L740 HydrophobicContact CD2-CD1 4.3Å |
| 660 | M | 85.6 | Confident | 84.9 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 40% | 0.399 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 176.4 | -80.1 | -176.4 | 45.2 | 0 | 0 | 113.2 | I656 S657 K664 L737 K741 | I656-M660 HydrophobicContact CG2-SD 4.07Å; I656-M660 WeakPolarHBondContact O-CB 3.49Å; I656-M660 WeakPolarHBondContact O-CG 3.36Å; I656-M660 PolarHBondContact O-N 2.8Å; S657-M660 PolarHBondContact O-N 2.88Å; M660-K664 WeakPolarHBondContact O-CB 3.31Å; M660-K664 PolarHBondContact O-N 3.41Å; M660-L737 HydrophobicContact CG-CD1 4Å; M660-L737 HydrophobicContact CG-CD2 4.06Å; M660-K741 PolarHBondContact SD-NZ 2.82Å; M660-K741 VanDerWaalsContact SD-NZ 3.4Å |
| 661 | V | 76 | Confident | 84.4 | Confident | 99 Ų | 99 | 73.4 Ų | 73.4 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.7 | -43.5 | 172.1 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | S657 H658 L659 I663 K664 A665 | S657-V661 WeakPolarHBondContact O-CG2 3.42Å; S657-V661 PolarHBondContact O-N 2.82Å; H658-V661 PolarHBondContact O-N 2.74Å; L659-V661 VanDerWaalsContact C-N 3.35Å; L659-V661 PolarHBondContact O-N 3.23Å; V661-I663 PolarHBondContact O-N 2.76Å; V661-K664 PolarHBondContact O-N 3.05Å; V661-A665 VanDerWaalsContact O-CB 3.29Å; V661-A665 WeakPolarHBondContact O-CB 3.49Å; V661-A665 PolarHBondContact O-N 3.05Å |
| 662 | A | 78.8 | Confident | 84 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H658 L659 A665 N666 L667 Q672 L675 | H658-A662 WeakPolarHBondContact O-CB 3.07Å; H658-A662 PolarHBondContact O-N 2.74Å; L659-A662 WeakPolarHBondContact O-CB 3.42Å; L659-A662 PolarHBondContact O-N 2.77Å; A662-A665 PolarHBondContact O-N 3.28Å; A662-N666 PolarHBondContact O-N 3.28Å; A662-L667 HydrophobicContact CB-CB 4.38Å; A662-L667 HydrophobicContact CB-CD1 3.84Å; A662-L667 HydrophobicContact CB-CG 4.34Å; A662-L667 PolarHBondContact O-N 2.82Å; A662-Q672 HydrophobicContact CB-CG 4.18Å; A662-L675 HydrophobicContact CB-CD1 3.6Å |
| 663 | I | 80.5 | Confident | 83.6 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.7 | -51.6 | 173.6 | -67.2 | 160.8 | 0 | 0 | 0 | 110.1 | L659 V661 A665 N666 I733 L737 | L659-I663 HydrophobicContact CD1-CD1 4.22Å; L659-I663 HydrophobicContact CD1-CG1 4.4Å; L659-I663 HydrophobicContact CG-CD1 3.98Å; L659-I663 VanDerWaalsContact O-CG1 3.29Å; L659-I663 WeakPolarHBondContact O-CG1 3.43Å; L659-I663 PolarHBondContact O-N 3.05Å; V661-I663 PolarHBondContact O-N 2.76Å; I663-A665 VanDerWaalsContact C-N 3.26Å; I663-A665 PolarHBondContact O-N 2.89Å; I663-N666 PolarHBondContact O-N 3.2Å; I663-I733 HydrophobicContact CD1-CG2 3.88Å; I663-I733 HydrophobicContact CG1-CG2 4.24Å; I663-L737 HydrophobicContact CD1-CD2 3.98Å |
| 664 | K | 68.7 | Low | 83.4 | Confident | 180 Ų | 180 | 77.3 Ų | 77.3 | 78% | 0.783 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.8 | -34.1 | 178.4 | -95.6 | -174.6 | 169.4 | -176.4 | 0 | 113.6 | M660 V661 N666 | M660-K664 WeakPolarHBondContact O-CB 3.31Å; M660-K664 PolarHBondContact O-N 3.41Å; V661-K664 PolarHBondContact O-N 3.05Å; K664-N666 PolarHBondContact O-N 2.72Å |
| 665 | A | 68 | Low | 83.3 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 50% | 0.504 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V661 A662 I663 L667 | V661-A665 VanDerWaalsContact O-CB 3.29Å; V661-A665 WeakPolarHBondContact O-CB 3.49Å; V661-A665 PolarHBondContact O-N 3.05Å; A662-A665 PolarHBondContact O-N 3.28Å; I663-A665 VanDerWaalsContact C-N 3.26Å; I663-A665 PolarHBondContact O-N 2.89Å; A665-L667 HydrophobicContact CB-CD2 4.18Å; A665-L667 HydrophobicContact CB-CG 4.02Å; A665-L667 PolarHBondContact O-N 3.42Å |
| 666 | N | 73.4 | Confident | 83.3 | Confident | 143 Ų | 143 | 72.9 Ų | 72.9 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 39.7 | -175 | -69 | -52.5 | 0 | 0 | 0 | 112.8 | A662 I663 K664 | A662-N666 PolarHBondContact O-N 3.28Å; I663-N666 PolarHBondContact O-N 3.2Å; K664-N666 PolarHBondContact O-N 2.72Å |
| 667 | L | 78.5 | Confident | 83.2 | Confident | 73 Ų | 73 | 76.1 Ų | 76.1 | 38% | 0.382 | 41% | 0.407 | S | S | . | . | trans | -62.7 | 156 | 175.6 | -63.6 | -171.7 | 0 | 0 | 0 | 110.5 | A662 A665 I669 T671 Q672 | A662-L667 HydrophobicContact CB-CB 4.38Å; A662-L667 HydrophobicContact CB-CD1 3.84Å; A662-L667 HydrophobicContact CB-CG 4.34Å; A662-L667 PolarHBondContact O-N 2.82Å; A665-L667 HydrophobicContact CB-CD2 4.18Å; A665-L667 HydrophobicContact CB-CG 4.02Å; A665-L667 PolarHBondContact O-N 3.42Å; L667-I669 PolarHBondContact O-N 3.1Å; L667-T671 HydrophobicContact CD1-CG2 4.45Å; L667-Q672 PolarHBondContact O-NE2 2.76Å | ||
| 668 | P | 84.2 | Confident | 83.5 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 53% | 0.526 | 42% | 0.415 | S | S | . | . | trans | -50.2 | 138.8 | 178.8 | -28 | 35.7 | 0 | 0 | 0 | 112.4 | E670 T671 Q672 | P668-E670 PolarHBondContact O-N 2.82Å; P668-E670 VanDerWaalsContact O-N 3.11Å; P668-T671 WeakPolarHBondContact O-CA 3.47Å; P668-T671 WeakPolarHBondContact O-CB 3.47Å; P668-T671 PolarHBondContact O-N 2.91Å; P668-Q672 PolarHBondContact O-N 2.84Å; P668-Q672 VanDerWaalsContact O-N 3.13Å | ||
| 669 | I | 84.4 | Confident | 83.9 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 65% | 0.651 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -53.7 | -35 | -178.7 | -68.5 | 168 | 0 | 0 | 0 | 111.2 | L667 T671 Q672 A673 I733 | L667-I669 PolarHBondContact O-N 3.1Å; I669-T671 PolarHBondContact O-N 2.83Å; I669-Q672 PolarHBondContact O-N 3.49Å; I669-A673 WeakPolarHBondContact O-CB 2.89Å; I669-A673 PolarHBondContact O-N 3.09Å; I669-I733 HydrophobicContact CG2-CD1 3.95Å |
| 670 | E | 86.5 | Confident | 84.3 | Confident | 165 Ų | 165 | 72.4 Ų | 72.4 | 77% | 0.771 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.5 | -43.2 | 173.5 | -61.8 | 175.9 | -174.5 | 0 | 0 | 112.7 | P668 Q674 | P668-E670 PolarHBondContact O-N 2.82Å; P668-E670 VanDerWaalsContact O-N 3.11Å; E670-Q674 WeakPolarHBondContact O-CB 3.39Å; E670-Q674 PolarHBondContact O-N 3.42Å |
| 671 | T | 84.9 | Confident | 84.8 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 177.5 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | L667 P668 I669 Q674 L675 | L667-T671 HydrophobicContact CD1-CG2 4.45Å; P668-T671 WeakPolarHBondContact O-CA 3.47Å; P668-T671 WeakPolarHBondContact O-CB 3.47Å; P668-T671 PolarHBondContact O-N 2.91Å; I669-T671 PolarHBondContact O-N 2.83Å; T671-Q674 PolarHBondContact O-N 2.92Å; T671-L675 WeakPolarHBondContact O-CG 3.49Å; T671-L675 PolarHBondContact O-N 3.28Å |
| 672 | Q | 87.2 | Confident | 85.7 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 9% | 0.093 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 175.7 | -59.6 | -176 | 25.5 | 0 | 0 | 111 | L659 A662 L667 P668 I669 Q674 L675 A676 I733 | L659-Q672 HydrophobicContact CD1-CB 4.11Å; L659-Q672 VanDerWaalsContact CD1-O 3.31Å; L659-Q672 WeakPolarHBondContact CD1-O 3.35Å; A662-Q672 HydrophobicContact CB-CG 4.18Å; L667-Q672 PolarHBondContact O-NE2 2.76Å; P668-Q672 PolarHBondContact O-N 2.84Å; P668-Q672 VanDerWaalsContact O-N 3.13Å; I669-Q672 PolarHBondContact O-N 3.49Å; Q672-Q674 PolarHBondContact O-N 3.39Å; Q672-L675 PolarHBondContact O-N 3.19Å; Q672-A676 PolarHBondContact O-N 3.39Å; Q672-I733 HydrophobicContact CB-CD1 3.65Å |
| 673 | A | 87.5 | Confident | 86.6 | Confident | 34 Ų | 34 | 70.8 Ų | 70.8 | 28% | 0.281 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I669 L675 A676 I677 | I669-A673 WeakPolarHBondContact O-CB 2.89Å; I669-A673 PolarHBondContact O-N 3.09Å; A673-L675 PolarHBondContact O-N 3.23Å; A673-A676 PolarHBondContact O-N 3.37Å; A673-I677 WeakPolarHBondContact O-CB 3.29Å; A673-I677 VanDerWaalsContact O-CG1 3.26Å; A673-I677 WeakPolarHBondContact O-CG1 3.31Å; A673-I677 PolarHBondContact O-N 2.99Å |
| 674 | Q | 90.3 | Very high | 87.3 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 175.7 | -173.8 | 179.6 | 2.1 | 0 | 0 | 112.3 | E670 T671 Q672 S678 | E670-Q674 WeakPolarHBondContact O-CB 3.39Å; E670-Q674 PolarHBondContact O-N 3.42Å; T671-Q674 PolarHBondContact O-N 2.92Å; Q672-Q674 PolarHBondContact O-N 3.39Å; Q674-S678 VanDerWaalsContact O-CB 3.31Å; Q674-S678 WeakPolarHBondContact O-CB 3.22Å; Q674-S678 PolarHBondContact O-N 3.26Å |
| 675 | L | 89.4 | Confident | 88.6 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 175.1 | -71.5 | 170.3 | 0 | 0 | 0 | 112 | H658 L659 A662 T671 Q672 A673 S678 S679 | H658-L675 HydrophobicContact CB-CD2 4.4Å; L659-L675 HydrophobicContact CD1-CB 4.33Å; A662-L675 HydrophobicContact CB-CD1 3.6Å; T671-L675 WeakPolarHBondContact O-CG 3.49Å; T671-L675 PolarHBondContact O-N 3.28Å; Q672-L675 PolarHBondContact O-N 3.19Å; A673-L675 PolarHBondContact O-N 3.23Å; L675-S678 PolarHBondContact O-N 3.36Å; L675-S679 WeakPolarHBondContact O-CB 3.15Å; L675-S679 PolarHBondContact O-N 3.49Å; L675-S679 PolarHBondContact O-OG 3.05Å |
| 676 | A | 91 | Very high | 89.8 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L659 Q672 A673 S679 L680 | L659-A676 HydrophobicContact CD2-CB 3.96Å; Q672-A676 PolarHBondContact O-N 3.39Å; A673-A676 PolarHBondContact O-N 3.37Å; A676-S679 PolarHBondContact O-N 3.03Å; A676-L680 WeakPolarHBondContact O-CG 3.26Å; A676-L680 PolarHBondContact O-N 2.86Å |
| 677 | I | 92 | Very high | 90.8 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.7 | -68.1 | 164.3 | 0 | 0 | 0 | 110.7 | A673 S679 L680 D681 | A673-I677 WeakPolarHBondContact O-CB 3.29Å; A673-I677 VanDerWaalsContact O-CG1 3.26Å; A673-I677 WeakPolarHBondContact O-CG1 3.31Å; A673-I677 PolarHBondContact O-N 2.99Å; I677-S679 VanDerWaalsContact C-N 3.3Å; I677-S679 PolarHBondContact O-N 2.83Å; I677-L680 PolarHBondContact O-N 3.03Å; I677-D681 WeakPolarHBondContact CG2-OD2 3.38Å; I677-D681 WeakPolarHBondContact O-CB 3.36Å; I677-D681 PolarHBondContact O-N 3.35Å |
| 678 | S | 92.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 177.3 | -168.4 | 0 | 0 | 0 | 0 | 112.2 | Q674 L675 D681 E682 | Q674-S678 VanDerWaalsContact O-CB 3.31Å; Q674-S678 WeakPolarHBondContact O-CB 3.22Å; Q674-S678 PolarHBondContact O-N 3.26Å; L675-S678 PolarHBondContact O-N 3.36Å; S678-D681 PolarHBondContact O-N 3.04Å; S678-E682 WeakPolarHBondContact O-CB 3.48Å; S678-E682 PolarHBondContact O-N 3.07Å |
| 679 | S | 95.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | G655 L675 A676 I677 F683 | G655-S679 VanDerWaalsContact CA-OG 3.32Å; G655-S679 WeakPolarHBondContact CA-OG 3.29Å; L675-S679 WeakPolarHBondContact O-CB 3.15Å; L675-S679 PolarHBondContact O-N 3.49Å; L675-S679 PolarHBondContact O-OG 3.05Å; A676-S679 PolarHBondContact O-N 3.03Å; I677-S679 VanDerWaalsContact C-N 3.3Å; I677-S679 PolarHBondContact O-N 2.83Å; S679-F683 WeakPolarHBondContact O-CB 3.46Å; S679-F683 PolarHBondContact O-N 2.95Å; S679-F683 VanDerWaalsContact O-N 3.08Å |
| 680 | L | 95.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.8 | -41.8 | 174.4 | -72.5 | 167.1 | 0 | 0 | 0 | 111.8 | A676 I677 F683 I684 A723 T726 R727 L740 Y743 | A676-L680 WeakPolarHBondContact O-CG 3.26Å; A676-L680 PolarHBondContact O-N 2.86Å; I677-L680 PolarHBondContact O-N 3.03Å; L680-F683 PolarHBondContact O-N 3.36Å; L680-I684 WeakPolarHBondContact O-CB 3.46Å; L680-I684 WeakPolarHBondContact O-CD1 3.18Å; L680-I684 WeakPolarHBondContact O-CG1 3.28Å; L680-I684 PolarHBondContact O-N 2.7Å; L680-A723 HydrophobicContact CD2-CB 4.39Å; L680-T726 HydrophobicContact CD1-CG2 4.22Å; L680-T726 HydrophobicContact CD2-CG2 4.18Å; L680-R727 HydrophobicContact CB-CB 4.47Å; L680-R727 HydrophobicContact CB-CG 4.47Å; L680-R727 HydrophobicContact CD1-CB 4.02Å; L680-R727 HydrophobicContact CD1-CG 4.37Å; L680-L740 HydrophobicContact CD2-CD2 3.73Å; L680-L740 HydrophobicContact CD2-CG 4.37Å; L680-L740 HydrophobicContact CG-CD2 4.07Å; L680-Y743 HydrophobicContact CD2-CE2 4.11Å |
| 681 | D | 95.7 | Very high | 92.6 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.7 | -81.8 | -33.7 | 0 | 0 | 0 | 112 | I677 S678 I684 M685 R727 | I677-D681 WeakPolarHBondContact CG2-OD2 3.38Å; I677-D681 WeakPolarHBondContact O-CB 3.36Å; I677-D681 PolarHBondContact O-N 3.35Å; S678-D681 PolarHBondContact O-N 3.04Å; D681-I684 PolarHBondContact O-N 3.02Å; D681-M685 WeakPolarHBondContact O-CB 3.41Å; D681-M685 PolarHBondContact O-N 3.01Å; D681-R727 VanDerWaalsContact CG-NE 3.34Å; D681-R727 IonicContact OD1-CZ 3.5Å; D681-R727 VanDerWaalsContact OD1-CZ 3.29Å; D681-R727 IonicContact OD1-NE 3.79Å; D681-R727 PolarHBondContact OD1-NE 3.48Å; D681-R727 IonicContact OD1-NH2 2.7Å; D681-R727 PolarHBondContact OD1-NH2 2.99Å; D681-R727 VanDerWaalsContact OD1-NH2 3.16Å; D681-R727 IonicContact OD2-CZ 3.69Å; D681-R727 IonicContact OD2-NE 2.8Å; D681-R727 PolarHBondContact OD2-NE 3.29Å; D681-R727 IonicContact OD2-NH2 3.29Å; D681-R727 PolarHBondContact OD2-NH2 2.83Å |
| 682 | E | 96 | Very high | 93 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 172.8 | -172.6 | 166 | -130.1 | 0 | 0 | 111 | S678 I684 M685 D686 | S678-E682 WeakPolarHBondContact O-CB 3.48Å; S678-E682 PolarHBondContact O-N 3.07Å; E682-I684 PolarHBondContact O-N 2.89Å; E682-M685 WeakPolarHBondContact O-CB 3.38Å; E682-M685 PolarHBondContact O-N 3.06Å; E682-M685 VanDerWaalsContact O-N 3.14Å; E682-D686 WeakPolarHBondContact O-CB 3.37Å; E682-D686 PolarHBondContact O-N 3.28Å |
| 683 | F | 97.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.5 | -178.8 | -119.3 | 0 | 0 | 0 | 113.7 | I648 L652 S679 L680 M685 D686 C687 L719 A723 Y743 I747 | I648-F683 HydrophobicContact CG2-CD2 3.6Å; I648-F683 HydrophobicContact CG2-CE2 3.56Å; L652-F683 HydrophobicContact CD1-CD2 3.6Å; L652-F683 HydrophobicContact CD1-CE2 3.68Å; L652-F683 HydrophobicContact CD1-CG 4.24Å; L652-F683 HydrophobicContact CD1-CZ 4.35Å; L652-F683 HydrophobicContact CD2-CB 3.85Å; L652-F683 HydrophobicContact CD2-CD2 3.98Å; L652-F683 HydrophobicContact CD2-CG 3.86Å; L652-F683 HydrophobicContact CG-CB 4.46Å; L652-F683 HydrophobicContact CG-CD2 3.84Å; L652-F683 HydrophobicContact CG-CE2 4.42Å; L652-F683 HydrophobicContact CG-CG 4.26Å; S679-F683 WeakPolarHBondContact O-CB 3.46Å; S679-F683 PolarHBondContact O-N 2.95Å; S679-F683 VanDerWaalsContact O-N 3.08Å; L680-F683 PolarHBondContact O-N 3.36Å; F683-M685 VanDerWaalsContact C-N 3.3Å; F683-M685 PolarHBondContact O-N 3.32Å; F683-D686 PolarHBondContact O-N 2.97Å; F683-C687 VanDerWaalsContact CZ-SG 3.58Å; F683-C687 PolarHBondContact O-N 3.25Å; F683-C687 PolarHBondContact O-SG 3.42Å; F683-C687 VanDerWaalsContact O-SG 3.35Å; F683-L719 HydrophobicContact CE1-CB 4.28Å; F683-L719 HydrophobicContact CZ-CB 4.01Å; F683-L719 HydrophobicContact CZ-CD1 4.42Å; F683-A723 HydrophobicContact CD1-CB 3.7Å; F683-A723 HydrophobicContact CE1-CB 3.94Å; F683-Y743 AromaticContact CD1-CD2 3.8Å; F683-Y743 HydrophobicContact CD1-CD2 3.8Å; F683-Y743 HydrophobicContact CD1-CG 4.37Å; F683-Y743 AromaticContact CE1-CD2 3.53Å; F683-Y743 HydrophobicContact CE1-CD2 3.53Å; F683-Y743 HydrophobicContact CE1-CE2 4.34Å; F683-Y743 AromaticContact CE1-CG 3.68Å; F683-Y743 HydrophobicContact CE1-CG 3.68Å; F683-Y743 HydrophobicContact CZ-CD2 4.42Å; F683-Y743 HydrophobicContact CZ-CG 4.18Å; F683-I747 HydrophobicContact CE2-CD1 4.09Å; F683-I747 HydrophobicContact CE2-CG1 3.94Å; F683-I747 HydrophobicContact CZ-CD1 4.35Å; F683-I747 HydrophobicContact CZ-CG1 4.28Å |
| 684 | I | 95.9 | Very high | 93.4 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 175.1 | -71.1 | 161.1 | 0 | 0 | 0 | 110.4 | L680 D681 E682 N688 R720 A723 I724 | L680-I684 WeakPolarHBondContact O-CB 3.46Å; L680-I684 WeakPolarHBondContact O-CD1 3.18Å; L680-I684 WeakPolarHBondContact O-CG1 3.28Å; L680-I684 PolarHBondContact O-N 2.7Å; D681-I684 PolarHBondContact O-N 3.02Å; E682-I684 PolarHBondContact O-N 2.89Å; I684-N688 PolarHBondContact O-ND2 2.77Å; I684-R720 HydrophobicContact CG2-CG 4.44Å; I684-A723 HydrophobicContact CD1-CB 4.22Å; I684-A723 HydrophobicContact CG1-CB 3.65Å; I684-I724 HydrophobicContact CD1-CG1 3.84Å; I684-I724 HydrophobicContact CG1-CG1 4.07Å; I684-I724 HydrophobicContact CG2-CD1 4.37Å; I684-I724 HydrophobicContact CG2-CG1 4.06Å |
| 685 | M | 95 | Very high | 93.3 | Very high | 109 Ų | 109 | 54 Ų | 54 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.6 | -51.8 | 175.2 | -172.2 | 179.7 | 72.4 | 0 | 0 | 110.9 | D681 E682 F683 C687 N688 | D681-M685 WeakPolarHBondContact O-CB 3.41Å; D681-M685 PolarHBondContact O-N 3.01Å; E682-M685 WeakPolarHBondContact O-CB 3.38Å; E682-M685 PolarHBondContact O-N 3.06Å; E682-M685 VanDerWaalsContact O-N 3.14Å; F683-M685 VanDerWaalsContact C-N 3.3Å; F683-M685 PolarHBondContact O-N 3.32Å; M685-C687 VanDerWaalsContact C-N 3.29Å; M685-C687 PolarHBondContact O-N 3.34Å; M685-N688 WeakPolarHBondContact CA-ND2 3.45Å; M685-N688 WeakPolarHBondContact O-CB 3.48Å; M685-N688 PolarHBondContact O-N 3.37Å; M685-N688 PolarHBondContact O-ND2 3.47Å |
| 686 | D | 94.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -50.3 | -44.2 | 177 | -89.9 | -1 | 0 | 0 | 0 | 112.3 | I648 H651 E682 F683 N688 H689 | I648-D686 HydrophobicContact CB-CB 4.42Å; I648-D686 HydrophobicContact CD1-CB 4.09Å; I648-D686 HydrophobicContact CG1-CB 3.79Å; I648-D686 HydrophobicContact CG2-CB 3.99Å; H651-D686 IonicContact CE1-OD1 3.58Å; H651-D686 IonicContact CE1-OD2 3.84Å; H651-D686 IonicContact CG-OD2 3.85Å; H651-D686 IonicContact ND1-OD1 3.02Å; H651-D686 PolarHBondContact ND1-OD1 3Å; H651-D686 IonicContact ND1-OD2 3.73Å; H651-D686 PolarHBondContact ND1-OD2 2.83Å; E682-D686 WeakPolarHBondContact O-CB 3.37Å; E682-D686 PolarHBondContact O-N 3.28Å; F683-D686 PolarHBondContact O-N 2.97Å; D686-N688 PolarHBondContact O-N 3.12Å; D686-N688 VanDerWaalsContact O-N 3.08Å; D686-H689 WeakPolarHBondContact O-CB 3.34Å; D686-H689 PolarHBondContact O-CD2 2.96Å; D686-H689 PolarHBondContact O-N 3Å |
| 687 | C | 94.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11.1 | 176.4 | -72.3 | 0 | 0 | 0 | 0 | 115.2 | F683 M685 R720 | F683-C687 VanDerWaalsContact CZ-SG 3.58Å; F683-C687 PolarHBondContact O-N 3.25Å; F683-C687 PolarHBondContact O-SG 3.42Å; F683-C687 VanDerWaalsContact O-SG 3.35Å; M685-C687 VanDerWaalsContact C-N 3.29Å; M685-C687 PolarHBondContact O-N 3.34Å; C687-R720 HydrophobicContact CB-CB 3.76Å; C687-R720 HydrophobicContact CB-CG 4.09Å |
| 688 | N | 93 | Very high | 92.9 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -7.2 | 173 | -50 | -78.8 | 0 | 0 | 0 | 113.4 | I684 M685 D686 T690 R720 | I684-N688 PolarHBondContact O-ND2 2.77Å; M685-N688 WeakPolarHBondContact CA-ND2 3.45Å; M685-N688 WeakPolarHBondContact O-CB 3.48Å; M685-N688 PolarHBondContact O-N 3.37Å; M685-N688 PolarHBondContact O-ND2 3.47Å; D686-N688 PolarHBondContact O-N 3.12Å; D686-N688 VanDerWaalsContact O-N 3.08Å; N688-T690 PolarHBondContact O-N 3.46Å; N688-R720 WeakPolarHBondContact OD1-CD 3.43Å; N688-R720 PolarHBondContact OD1-NE 3.33Å |
| 689 | H | 91.8 | Very high | 92.8 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -65.4 | 130.1 | 175.9 | -74.9 | -112.8 | 0 | 0 | 0 | 109.2 | L644 D686 D789 | L644-H689 HydrophobicContact CD1-CB 3.83Å; L644-H689 HydrophobicContact CD2-CB 3.97Å; D686-H689 WeakPolarHBondContact O-CB 3.34Å; D686-H689 PolarHBondContact O-CD2 2.96Å; D686-H689 PolarHBondContact O-N 3Å; H689-D789 IonicContact CE1-OD1 3.29Å; H689-D789 IonicContact CE1-OD2 3.32Å; H689-D789 IonicContact CG-OD2 3.04Å; H689-D789 VanDerWaalsContact ND1-CG 3.29Å; H689-D789 IonicContact ND1-OD1 2.77Å; H689-D789 PolarHBondContact ND1-OD1 3.36Å; H689-D789 IonicContact ND1-OD2 3.72Å; H689-D789 PolarHBondContact ND1-OD2 3.39Å |
| 690 | T | 92 | Very high | 92.6 | Very high | 98 Ų | 98 | 56.2 Ų | 56.2 | 60% | 0.601 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 143.4 | -176.2 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | N688 Y790 | N688-T690 PolarHBondContact O-N 3.46Å; T690-Y790 WeakPolarHBondContact O-CE1 3.29Å; T690-Y790 PolarHBondContact O-OH 2.77Å |
| 691 | L | 94.2 | Very high | 92.3 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67 | 147.5 | 170.7 | -61 | -178.1 | 0 | 0 | 0 | 109.7 | A641 L644 Q693 R709 R712 E713 L716 | A641-L691 HydrophobicContact CB-CD2 4.3Å; L644-L691 HydrophobicContact CD2-CD2 4.2Å; L691-Q693 PolarHBondContact O-N 2.75Å; L691-R709 HydrophobicContact CD1-CG 4.2Å; L691-R712 HydrophobicContact CD1-CB 3.61Å; L691-E713 HydrophobicContact CD1-CG 3.8Å; L691-E713 HydrophobicContact CG-CG 4.35Å; L691-L716 HydrophobicContact CD2-CD1 4.13Å |
| 692 | P | 92.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 57 Ų | 57 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -48.6 | 137.4 | 174.6 | -26.4 | 31.6 | 0 | 0 | 0 | 112.8 | F637 A641 Y790 | F637-P692 HydrophobicContact CB-CB 4.12Å; A641-P692 HydrophobicContact CB-CG 4.46Å; P692-Y790 HydrophobicContact CB-CD2 4.3Å; P692-Y790 HydrophobicContact CB-CE2 4.11Å; P692-Y790 HydrophobicContact CG-CD1 3.74Å; P692-Y790 HydrophobicContact CG-CD2 3.84Å; P692-Y790 HydrophobicContact CG-CE1 3.77Å; P692-Y790 HydrophobicContact CG-CE2 3.87Å; P692-Y790 HydrophobicContact CG-CG 3.81Å |
| 693 | Q | 90.9 | Very high | 92 | Very high | 151 Ų | 151 | 57.9 Ų | 57.9 | 71% | 0.706 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 149.8 | 173.1 | -63.5 | -171.7 | 8.7 | 0 | 0 | 110.1 | L691 | L691-Q693 PolarHBondContact O-N 2.75Š|
| 694 | W | 92.1 | Very high | 91.8 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 131.7 | 170.7 | 172.2 | 84 | 0 | 0 | 0 | 110 | F637 P696 I699 Q701 | F637-W694 AromaticContact CE1-CD1 3.99Å; W694-P696 HydrophobicContact CH2-CB 4.47Å; W694-P696 HydrophobicContact CH2-CG 4.47Å; W694-P696 HydrophobicContact CZ3-CG 4.45Å; W694-I699 PolarHBondContact NE1-O 3.46Å; W694-Q701 HydrophobicContact CG-CB 4.24Å |
| 695 | E | 89.4 | Confident | 91.8 | Very high | 110 Ų | 110 | 57.1 Ų | 57.1 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | trans | -110.9 | 151 | 177.2 | -59.7 | -171 | 163 | 0 | 0 | 111.8 | E697 N698 | E695-E697 PolarHBondContact O-N 3.23Å; E695-N698 WeakPolarHBondContact CB-OD1 3.42Å; E695-N698 PolarHBondContact N-OD1 3.28Å; E695-N698 WeakPolarHBondContact O-CB 3.22Å; E695-N698 PolarHBondContact O-N 3.25Å; E695-N698 PolarHBondContact O-OD1 2.91Å | ||
| 696 | P | 86.2 | Confident | 91.7 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -10.1 | 176.8 | -24.1 | 34.6 | 0 | 0 | 0 | 115.8 | W694 | W694-P696 HydrophobicContact CH2-CB 4.47Å; W694-P696 HydrophobicContact CH2-CG 4.47Å; W694-P696 HydrophobicContact CZ3-CG 4.45Å |
| 697 | E | 85.5 | Confident | 91.6 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -24.2 | 173.6 | -57 | -160.1 | 144.5 | 0 | 0 | 113.5 | R556 E695 | R556-E697 IonicContact CZ-OE2 2.69Å; R556-E697 IonicContact NH1-OE2 2.67Å; R556-E697 PolarHBondContact NH1-OE2 3.41Å; R556-E697 IonicContact NH2-OE1 3.93Å; R556-E697 IonicContact NH2-OE2 2.72Å; R556-E697 PolarHBondContact NH2-OE2 2.95Å; E695-E697 PolarHBondContact O-N 3.23Å |
| 698 | N | 90.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -70 | 173 | 176.5 | -53.6 | 133.3 | 0 | 0 | 0 | 111.1 | D634 F637 E695 | D634-N698 VanDerWaalsContact CG-ND2 3.33Å; D634-N698 WeakPolarHBondContact O-CA 3.09Å; D634-N698 WeakPolarHBondContact O-CB 3.47Å; D634-N698 PolarHBondContact OD1-ND2 3.04Å; F637-N698 HydrophobicContact CD1-CB 3.98Å; F637-N698 HydrophobicContact CE1-CB 4.25Å; E695-N698 WeakPolarHBondContact CB-OD1 3.42Å; E695-N698 PolarHBondContact N-OD1 3.28Å; E695-N698 WeakPolarHBondContact O-CB 3.22Å; E695-N698 PolarHBondContact O-N 3.25Å; E695-N698 PolarHBondContact O-OD1 2.91Å |
| 699 | I | 91.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 152.6 | 165.6 | 58.9 | 166.3 | 0 | 0 | 0 | 111.4 | E633 D634 I635 F637 W694 Q701 | E633-I699 HydrophobicContact CB-CG2 3.54Å; E633-I699 HydrophobicContact CG-CG2 4.02Å; D634-I699 PolarHBondContact O-N 2.82Å; I635-I699 HydrophobicContact CG2-CD1 3.45Å; I635-I699 VanDerWaalsContact CG2-CD1 3.45Å; I635-I699 HydrophobicContact CG2-CG1 3.95Å; F637-I699 HydrophobicContact CE1-CG1 4.04Å; W694-I699 PolarHBondContact NE1-O 3.46Å; I699-Q701 PolarHBondContact O-N 3.43Å |
| 700 | P | 90.4 | Very high | 91.4 | Very high | 46 Ų | 46 | 59.6 Ų | 59.6 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 128.6 | 171.9 | -22.3 | 32.9 | 0 | 0 | 0 | 111.4 | K551 N702 | K551-P700 HydrophobicContact CB-CG 3.66Å; P700-N702 PolarHBondContact O-N 3.15Å |
| 701 | Q | 90.6 | Very high | 91.2 | Very high | 75 Ų | 75 | 56.8 Ų | 56.8 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 130.1 | 173.3 | -168.8 | -178.6 | 18.7 | 0 | 0 | 110 | W694 I699 D705 I706 | W694-Q701 HydrophobicContact CG-CB 4.24Å; I699-Q701 PolarHBondContact O-N 3.43Å; Q701-D705 HydrophobicContact CG-CB 3.51Å; Q701-I706 HydrophobicContact CG-CG1 4.05Å |
| 702 | N | 92.7 | Very high | 91.1 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | trans | -103 | 176 | 177.4 | 72.1 | 29.5 | 0 | 0 | 0 | 112.3 | G484 P485 R638 P700 M704 D705 I706 Q755 | G484-N702 WeakPolarHBondContact CA-ND2 3.34Å; G484-N702 WeakPolarHBondContact O-CB 3.5Å; G484-N702 VanDerWaalsContact O-CG 3.31Å; G484-N702 PolarHBondContact O-ND2 3.36Å; P485-N702 PolarHBondContact O-ND2 3.2Å; R638-N702 PolarHBondContact NH2-ND2 2.77Å; P700-N702 PolarHBondContact O-N 3.15Å; N702-M704 VanDerWaalsContact C-N 3.31Å; N702-M704 PolarHBondContact O-N 3.08Å; N702-M704 WeakPolarHBondContact OD1-CB 3.46Å; N702-M704 PolarHBondContact OD1-N 2.83Å; N702-D705 VanDerWaalsContact CG-OD2 3.25Å; N702-D705 PolarHBondContact N-OD2 3.5Å; N702-D705 WeakPolarHBondContact O-CB 2.74Å; N702-D705 PolarHBondContact O-N 2.88Å; N702-D705 VanDerWaalsContact OD1-CG 3.26Å; N702-D705 PolarHBondContact OD1-N 3.33Å; N702-D705 PolarHBondContact OD1-OD2 2.82Å; N702-D705 VanDerWaalsContact OD1-OD2 3.1Å; N702-I706 PolarHBondContact O-N 2.74Å; N702-Q755 PolarHBondContact ND2-OE1 3.14Å; N702-Q755 PolarHBondContact OD1-NE2 3.45Å; N702-Q755 PolarHBondContact OD1-OE1 3.04Å | ||
| 703 | E | 92.1 | Very high | 91.1 | Very high | 99 Ų | 99 | 59.3 Ų | 59.3 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | -176 | -171.9 | -177.3 | 136.1 | 0 | 0 | 111.9 | T482 D705 I706 H707 | T482-E703 HydrophobicContact CG2-CB 3.95Å; T482-E703 HydrophobicContact CG2-CG 4.05Å; T482-E703 PolarHBondContact OG1-OE1 2.95Å; E703-D705 VanDerWaalsContact C-N 3.34Å; E703-D705 PolarHBondContact O-N 2.94Å; E703-I706 PolarHBondContact O-N 3.24Å; E703-H707 PolarHBondContact O-N 3.07Å; E703-H707 IonicContact OE1-CE1 3.53Å; E703-H707 PolarHBondContact OE1-CE1 2.9Å |
| 704 | M | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 176.9 | -176.9 | 56.1 | 176.2 | 0 | 0 | 112.4 | Q468 I469 F479 T482 N702 I706 H707 L708 P754 Q755 | Q468-M704 WeakPolarHBondContact O-CE 3.4Å; I469-M704 HydrophobicContact CB-CE 4.25Å; I469-M704 HydrophobicContact CG2-CE 4.24Å; F479-M704 HydrophobicContact CE2-CE 4.18Å; F479-M704 HydrophobicContact CE2-SD 3.59Å; F479-M704 VanDerWaalsContact CE2-SD 3.59Å; F479-M704 HydrophobicContact CZ-CE 4.35Å; F479-M704 HydrophobicContact CZ-SD 4.11Å; T482-M704 VanDerWaalsContact O-SD 3.41Å; N702-M704 VanDerWaalsContact C-N 3.31Å; N702-M704 PolarHBondContact O-N 3.08Å; N702-M704 WeakPolarHBondContact OD1-CB 3.46Å; N702-M704 PolarHBondContact OD1-N 2.83Å; M704-I706 VanDerWaalsContact C-N 3.32Å; M704-I706 PolarHBondContact O-N 3.43Å; M704-H707 PolarHBondContact O-N 3.21Å; M704-L708 HydrophobicContact CE-CD1 3.81Å; M704-L708 HydrophobicContact CE-CD2 3.63Å; M704-L708 HydrophobicContact CE-CG 3.55Å; M704-L708 HydrophobicContact CG-CD1 4.28Å; M704-L708 HydrophobicContact CG-CG 4.34Å; M704-L708 WeakPolarHBondContact O-CB 3.31Å; M704-L708 WeakPolarHBondContact O-CG 3.48Å; M704-L708 PolarHBondContact O-N 3.47Å; M704-L708 HydrophobicContact SD-CG 4.06Å; M704-P754 HydrophobicContact CE-CG 3.7Å; M704-Q755 HydrophobicContact CG-CG 4.22Å |
| 705 | D | 94.8 | Very high | 90.8 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.043 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 173.7 | -65.6 | -44.1 | 0 | 0 | 0 | 112.3 | F637 R638 Q701 N702 E703 R709 Q755 | F637-D705 HydrophobicContact CE2-CB 4.07Å; F637-D705 HydrophobicContact CZ-CB 4.4Å; R638-D705 IonicContact CZ-OD1 2.63Å; R638-D705 VanDerWaalsContact CZ-OD1 3.29Å; R638-D705 IonicContact CZ-OD2 2.6Å; R638-D705 IonicContact NE-OD1 2.66Å; R638-D705 PolarHBondContact NE-OD1 3.46Å; R638-D705 IonicContact NE-OD2 3.46Å; R638-D705 VanDerWaalsContact NH2-CG 3.35Å; R638-D705 IonicContact NH2-OD1 3.34Å; R638-D705 PolarHBondContact NH2-OD1 3.2Å; R638-D705 VanDerWaalsContact NH2-OD1 3.12Å; R638-D705 IonicContact NH2-OD2 3.38Å; R638-D705 PolarHBondContact NH2-OD2 3.29Å; Q701-D705 HydrophobicContact CG-CB 3.51Å; N702-D705 VanDerWaalsContact CG-OD2 3.25Å; N702-D705 PolarHBondContact N-OD2 3.5Å; N702-D705 WeakPolarHBondContact O-CB 2.74Å; N702-D705 PolarHBondContact O-N 2.88Å; N702-D705 VanDerWaalsContact OD1-CG 3.26Å; N702-D705 PolarHBondContact OD1-N 3.33Å; N702-D705 PolarHBondContact OD1-OD2 2.82Å; N702-D705 VanDerWaalsContact OD1-OD2 3.1Å; E703-D705 VanDerWaalsContact C-N 3.34Å; E703-D705 PolarHBondContact O-N 2.94Å; D705-R709 WeakPolarHBondContact O-CB 3.42Å; D705-R709 PolarHBondContact O-N 2.74Å; D705-Q755 PolarHBondContact OD1-NE2 3.22Å |
| 706 | I | 93.5 | Very high | 90.9 | Very high | 89 Ų | 89 | 45.3 Ų | 45.3 | 46% | 0.456 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.8 | -46.8 | 177.8 | -62.9 | 166.5 | 0 | 0 | 0 | 109.6 | Q701 N702 E703 M704 R709 K710 | Q701-I706 HydrophobicContact CG-CG1 4.05Å; N702-I706 PolarHBondContact O-N 2.74Å; E703-I706 PolarHBondContact O-N 3.24Å; M704-I706 VanDerWaalsContact C-N 3.32Å; M704-I706 PolarHBondContact O-N 3.43Å; I706-R709 PolarHBondContact O-N 3.36Å; I706-K710 PolarHBondContact O-N 2.97Å; I706-K710 VanDerWaalsContact O-N 3.1Å |
| 707 | H | 91.4 | Very high | 91.2 | Very high | 52 Ų | 52 | 44.8 Ų | 44.8 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -46.6 | 179.3 | -66.4 | 162.1 | 0 | 0 | 0 | 112.8 | F479 E703 M704 R709 K710 L711 | F479-H707 WeakPolarHBondContact CB-ND1 3.38Å; F479-H707 HydrophobicContact CD1-CB 3.72Å; F479-H707 AromaticContact CD1-CG 4Å; F479-H707 HydrophobicContact CD2-CB 3.98Å; F479-H707 AromaticContact CD2-ND1 3.51Å; F479-H707 HydrophobicContact CE1-CB 3.78Å; F479-H707 HydrophobicContact CE2-CB 4.02Å; F479-H707 HydrophobicContact CG-CB 3.84Å; F479-H707 AromaticContact CG-CG 3.72Å; F479-H707 AromaticContact CG-ND1 3.47Å; F479-H707 WeakPolarHBondContact CG-ND1 3.43Å; F479-H707 HydrophobicContact CZ-CB 3.93Å; E703-H707 PolarHBondContact O-N 3.07Å; E703-H707 IonicContact OE1-CE1 3.53Å; E703-H707 PolarHBondContact OE1-CE1 2.9Å; M704-H707 PolarHBondContact O-N 3.21Å; H707-R709 PolarHBondContact O-N 3.12Å; H707-K710 PolarHBondContact O-N 2.89Å; H707-L711 VanDerWaalsContact O-CB 3.27Å; H707-L711 WeakPolarHBondContact O-CB 3.13Å; H707-L711 PolarHBondContact O-N 3Å |
| 708 | L | 91.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 176 | -77.2 | -178.9 | 0 | 0 | 0 | 112.6 | M704 L711 R712 E753 P754 | M704-L708 HydrophobicContact CE-CD1 3.81Å; M704-L708 HydrophobicContact CE-CD2 3.63Å; M704-L708 HydrophobicContact CE-CG 3.55Å; M704-L708 HydrophobicContact CG-CD1 4.28Å; M704-L708 HydrophobicContact CG-CG 4.34Å; M704-L708 WeakPolarHBondContact O-CB 3.31Å; M704-L708 WeakPolarHBondContact O-CG 3.48Å; M704-L708 PolarHBondContact O-N 3.47Å; M704-L708 HydrophobicContact SD-CG 4.06Å; L708-L711 HydrophobicContact CD2-CD2 4.35Å; L708-L711 PolarHBondContact O-N 3.21Å; L708-R712 WeakPolarHBondContact O-CB 3.4Å; L708-R712 VanDerWaalsContact O-CG 3.31Å; L708-R712 WeakPolarHBondContact O-CG 3.41Å; L708-R712 PolarHBondContact O-N 2.88Å; L708-E753 WeakPolarHBondContact CD1-OE1 3.46Å; L708-E753 WeakPolarHBondContact CD1-OE2 3.24Å; L708-P754 HydrophobicContact CD1-CG 4.48Å |
| 709 | R | 92.7 | Very high | 91.4 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62 | -48.9 | 178.9 | -172.1 | 178.9 | -177.2 | -64.8 | -18.4 | 110.6 | L691 D705 I706 H707 R712 E713 | L691-R709 HydrophobicContact CD1-CG 4.2Å; D705-R709 WeakPolarHBondContact O-CB 3.42Å; D705-R709 PolarHBondContact O-N 2.74Å; I706-R709 PolarHBondContact O-N 3.36Å; H707-R709 PolarHBondContact O-N 3.12Å; R709-R712 PolarHBondContact O-N 2.94Å; R709-E713 IonicContact CZ-OE1 2.78Å; R709-E713 IonicContact CZ-OE2 2.65Å; R709-E713 IonicContact NH1-OE1 3.86Å; R709-E713 PolarHBondContact NH1-OE1 2.59Å; R709-E713 IonicContact NH1-OE2 3.98Å; R709-E713 PolarHBondContact NH1-OE2 2.89Å; R709-E713 IonicContact NH2-OE1 3.68Å; R709-E713 PolarHBondContact NH2-OE1 2.9Å; R709-E713 IonicContact NH2-OE2 3.49Å; R709-E713 WeakPolarHBondContact O-CG 3.45Å; R709-E713 PolarHBondContact O-N 3.04Å |
| 710 | K | 90.8 | Very high | 91.5 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 37% | 0.365 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 175.4 | -177 | 177.6 | 175 | -179.9 | 0 | 111.7 | D477 I706 H707 R712 E713 D714 | D477-K710 IonicContact OD1-NZ 2.73Å; D477-K710 PolarHBondContact OD1-NZ 2.88Å; D477-K710 VanDerWaalsContact OD2-CE 3.27Å; D477-K710 WeakPolarHBondContact OD2-CE 3.33Å; D477-K710 IonicContact OD2-NZ 3.71Å; D477-K710 PolarHBondContact OD2-NZ 3.42Å; I706-K710 PolarHBondContact O-N 2.97Å; I706-K710 VanDerWaalsContact O-N 3.1Å; H707-K710 PolarHBondContact O-N 2.89Å; K710-R712 VanDerWaalsContact C-N 3.34Å; K710-R712 PolarHBondContact O-N 2.89Å; K710-E713 PolarHBondContact O-N 3.4Å; K710-D714 WeakPolarHBondContact O-CB 3.1Å; K710-D714 PolarHBondContact O-N 3.18Å |
| 711 | L | 88.5 | Confident | 91.6 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 20% | 0.199 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.8 | -46.5 | 177.3 | 172.3 | 59.5 | 0 | 0 | 0 | 112.3 | R473 F479 H707 L708 Q715 L750 | R473-L711 VanDerWaalsContact NH2-CD1 3.27Å; F479-L711 HydrophobicContact CE1-CD2 4.42Å; H707-L711 VanDerWaalsContact O-CB 3.27Å; H707-L711 WeakPolarHBondContact O-CB 3.13Å; H707-L711 PolarHBondContact O-N 3Å; L708-L711 HydrophobicContact CD2-CD2 4.35Å; L708-L711 PolarHBondContact O-N 3.21Å; L711-Q715 HydrophobicContact CD1-CG 4.07Å; L711-Q715 WeakPolarHBondContact O-CB 3.45Å; L711-Q715 VanDerWaalsContact O-CG 3.25Å; L711-Q715 WeakPolarHBondContact O-CG 3.36Å; L711-Q715 PolarHBondContact O-N 3.07Å; L711-Q715 VanDerWaalsContact O-N 3.13Å; L711-L750 HydrophobicContact CG-CD2 4.42Å |
| 712 | R | 92.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 4% | 0.038 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 178.6 | -72.7 | 170.8 | 175.9 | 146.8 | 4.3 | 111.5 | L645 L691 L708 R709 K710 Q715 L716 L750 I752 E753 | L645-R712 HydrophobicContact CD1-CG 4.11Å; L691-R712 HydrophobicContact CD1-CB 3.61Å; L708-R712 WeakPolarHBondContact O-CB 3.4Å; L708-R712 VanDerWaalsContact O-CG 3.31Å; L708-R712 WeakPolarHBondContact O-CG 3.41Å; L708-R712 PolarHBondContact O-N 2.88Å; R709-R712 PolarHBondContact O-N 2.94Å; K710-R712 VanDerWaalsContact C-N 3.34Å; K710-R712 PolarHBondContact O-N 2.89Å; R712-Q715 PolarHBondContact O-N 2.96Å; R712-L716 WeakPolarHBondContact O-CB 3.43Å; R712-L716 WeakPolarHBondContact O-CG 3.49Å; R712-L716 PolarHBondContact O-N 2.76Å; R712-L750 PolarHBondContact NE-O 3.01Å; R712-L750 PolarHBondContact NH2-O 2.86Å; R712-I752 PolarHBondContact NH2-O 3.28Å; R712-E753 IonicContact CZ-OE2 3.56Å; R712-E753 IonicContact NH1-OE2 3.84Å; R712-E753 PolarHBondContact NH1-OE2 2.92Å; R712-E753 IonicContact NH2-OE2 3.51Å; R712-E753 PolarHBondContact NH2-OE2 2.79Å |
| 713 | E | 92.5 | Very high | 91.5 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 176.3 | -72.6 | 178.3 | 142.4 | 0 | 0 | 112.5 | L691 R709 K710 Q715 L716 N717 | L691-E713 HydrophobicContact CD1-CG 3.8Å; L691-E713 HydrophobicContact CG-CG 4.35Å; R709-E713 IonicContact CZ-OE1 2.78Å; R709-E713 IonicContact CZ-OE2 2.65Å; R709-E713 IonicContact NH1-OE1 3.86Å; R709-E713 PolarHBondContact NH1-OE1 2.59Å; R709-E713 IonicContact NH1-OE2 3.98Å; R709-E713 PolarHBondContact NH1-OE2 2.89Å; R709-E713 IonicContact NH2-OE1 3.68Å; R709-E713 PolarHBondContact NH2-OE1 2.9Å; R709-E713 IonicContact NH2-OE2 3.49Å; R709-E713 WeakPolarHBondContact O-CG 3.45Å; R709-E713 PolarHBondContact O-N 3.04Å; K710-E713 PolarHBondContact O-N 3.4Å; E713-Q715 VanDerWaalsContact C-N 3.32Å; E713-Q715 PolarHBondContact O-N 3.46Å; E713-L716 PolarHBondContact O-N 2.91Å; E713-N717 WeakPolarHBondContact O-CB 3.3Å; E713-N717 PolarHBondContact O-N 3.22Å; E713-N717 PolarHBondContact O-ND2 3.36Å |
| 714 | D | 88.3 | Confident | 91.6 | Very high | 44 Ų | 44 | 44.9 Ų | 44.9 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 178.1 | -66 | -19.1 | 0 | 0 | 0 | 111.7 | R473 K710 T718 | R473-D714 IonicContact CZ-OD2 3.24Å; R473-D714 IonicContact NH1-OD2 4Å; R473-D714 PolarHBondContact NH1-OD2 3.23Å; R473-D714 IonicContact NH2-OD2 3.84Å; K710-D714 WeakPolarHBondContact O-CB 3.1Å; K710-D714 PolarHBondContact O-N 3.18Å; D714-T718 WeakPolarHBondContact O-CB 3.2Å; D714-T718 PolarHBondContact O-N 3.24Å; D714-T718 PolarHBondContact O-OG1 3.15Å |
| 715 | Q | 87.7 | Confident | 91.5 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.3 | -36.6 | -176.5 | -68.7 | -66.1 | -78.8 | 0 | 0 | 112.7 | L711 R712 E713 T718 L719 L750 | L711-Q715 HydrophobicContact CD1-CG 4.07Å; L711-Q715 WeakPolarHBondContact O-CB 3.45Å; L711-Q715 VanDerWaalsContact O-CG 3.25Å; L711-Q715 WeakPolarHBondContact O-CG 3.36Å; L711-Q715 PolarHBondContact O-N 3.07Å; L711-Q715 VanDerWaalsContact O-N 3.13Å; R712-Q715 PolarHBondContact O-N 2.96Å; E713-Q715 VanDerWaalsContact C-N 3.32Å; E713-Q715 PolarHBondContact O-N 3.46Å; Q715-T718 PolarHBondContact O-N 3.36Å; Q715-L719 WeakPolarHBondContact O-CB 3.21Å; Q715-L719 VanDerWaalsContact O-CG 3.29Å; Q715-L719 WeakPolarHBondContact O-CG 3.47Å; Q715-L719 PolarHBondContact O-N 3.02Å; Q715-L750 HydrophobicContact CB-CD1 3.68Å; Q715-L750 HydrophobicContact CB-CD2 4.02Å; Q715-L750 HydrophobicContact CB-CG 4.49Å; Q715-L750 HydrophobicContact CG-CD2 4.1Å |
| 716 | L | 93 | Very high | 91.2 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 171.4 | -75.3 | 170.6 | 0 | 0 | 0 | 111.3 | L645 I648 L691 R712 E713 T718 L719 R720 I747 | L645-L716 HydrophobicContact CD2-CD1 4.2Å; L645-L716 HydrophobicContact CD2-CD2 3.95Å; L645-L716 HydrophobicContact CD2-CG 4.32Å; I648-L716 HydrophobicContact CD1-CD2 4.33Å; L691-L716 HydrophobicContact CD2-CD1 4.13Å; R712-L716 WeakPolarHBondContact O-CB 3.43Å; R712-L716 WeakPolarHBondContact O-CG 3.49Å; R712-L716 PolarHBondContact O-N 2.76Å; E713-L716 PolarHBondContact O-N 2.91Å; L716-T718 VanDerWaalsContact C-N 3.34Å; L716-T718 PolarHBondContact O-N 2.81Å; L716-L719 PolarHBondContact O-N 3.22Å; L716-R720 VanDerWaalsContact O-CB 3.31Å; L716-R720 WeakPolarHBondContact O-CB 3.39Å; L716-R720 PolarHBondContact O-N 3.09Å; L716-I747 HydrophobicContact CD2-CD1 3.65Å |
| 717 | N | 91.8 | Very high | 91 | Very high | 95 Ų | 95 | 50 Ų | 50 | 51% | 0.508 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 174 | -74.1 | -48.2 | 0 | 0 | 0 | 111.9 | E713 R720 E721 | E713-N717 WeakPolarHBondContact O-CB 3.3Å; E713-N717 PolarHBondContact O-N 3.22Å; E713-N717 PolarHBondContact O-ND2 3.36Å; N717-R720 WeakPolarHBondContact O-CB 3.21Å; N717-R720 PolarHBondContact O-N 2.83Å; N717-E721 PolarHBondContact O-N 2.87Å; N717-E721 VanDerWaalsContact O-N 3.15Å |
| 718 | T | 88.3 | Confident | 90.9 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 36% | 0.356 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 177.4 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | D714 Q715 L716 R720 E721 Q722 | D714-T718 WeakPolarHBondContact O-CB 3.2Å; D714-T718 PolarHBondContact O-N 3.24Å; D714-T718 PolarHBondContact O-OG1 3.15Å; Q715-T718 PolarHBondContact O-N 3.36Å; L716-T718 VanDerWaalsContact C-N 3.34Å; L716-T718 PolarHBondContact O-N 2.81Å; T718-R720 VanDerWaalsContact C-N 3.33Å; T718-E721 PolarHBondContact O-N 3.12Å; T718-Q722 WeakPolarHBondContact O-CG 3.3Å; T718-Q722 PolarHBondContact O-N 2.93Å |
| 719 | L | 91.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 178.6 | -74.8 | 169.4 | 0 | 0 | 0 | 112 | F683 Q715 L716 Q722 A723 Y743 T746 I747 L750 | F683-L719 HydrophobicContact CE1-CB 4.28Å; F683-L719 HydrophobicContact CZ-CB 4.01Å; F683-L719 HydrophobicContact CZ-CD1 4.42Å; Q715-L719 WeakPolarHBondContact O-CB 3.21Å; Q715-L719 VanDerWaalsContact O-CG 3.29Å; Q715-L719 WeakPolarHBondContact O-CG 3.47Å; Q715-L719 PolarHBondContact O-N 3.02Å; L716-L719 PolarHBondContact O-N 3.22Å; L719-Q722 PolarHBondContact O-N 2.8Å; L719-A723 WeakPolarHBondContact O-CB 3.45Å; L719-A723 PolarHBondContact O-N 3.33Å; L719-Y743 HydrophobicContact CD2-CD1 3.7Å; L719-Y743 HydrophobicContact CD2-CE1 4.4Å; L719-Y743 HydrophobicContact CD2-CG 4.37Å; L719-T746 HydrophobicContact CD1-CG2 3.92Å; L719-T746 HydrophobicContact CD2-CG2 4.16Å; L719-T746 HydrophobicContact CG-CG2 4.44Å; L719-I747 HydrophobicContact CD1-CD1 3.64Å; L719-I747 HydrophobicContact CD1-CG1 4.12Å; L719-L750 HydrophobicContact CD1-CD1 4.38Å |
| 720 | R | 94.2 | Very high | 90 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 23% | 0.226 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 174.7 | -174.4 | -174.9 | 163.9 | -71.7 | -5.2 | 112 | I684 C687 N688 L716 N717 T718 Q722 A723 I724 | I684-R720 HydrophobicContact CG2-CG 4.44Å; C687-R720 HydrophobicContact CB-CB 3.76Å; C687-R720 HydrophobicContact CB-CG 4.09Å; N688-R720 WeakPolarHBondContact OD1-CD 3.43Å; N688-R720 PolarHBondContact OD1-NE 3.33Å; L716-R720 VanDerWaalsContact O-CB 3.31Å; L716-R720 WeakPolarHBondContact O-CB 3.39Å; L716-R720 PolarHBondContact O-N 3.09Å; N717-R720 WeakPolarHBondContact O-CB 3.21Å; N717-R720 PolarHBondContact O-N 2.83Å; T718-R720 VanDerWaalsContact C-N 3.33Å; R720-Q722 VanDerWaalsContact C-N 3.32Å; R720-Q722 PolarHBondContact O-N 3.13Å; R720-A723 PolarHBondContact O-N 3.35Å; R720-I724 HydrophobicContact CG-CD1 4.23Å; R720-I724 VanDerWaalsContact O-CG1 3.31Å; R720-I724 WeakPolarHBondContact O-CG1 3.43Å; R720-I724 PolarHBondContact O-N 3.32Å |
| 721 | E | 92.2 | Very high | 89.5 | Confident | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 176.7 | -65.1 | -60.6 | 134.1 | 0 | 0 | 111.7 | N717 T718 N725 | N717-E721 PolarHBondContact O-N 2.87Å; N717-E721 VanDerWaalsContact O-N 3.15Å; T718-E721 PolarHBondContact O-N 3.12Å; E721-N725 WeakPolarHBondContact O-CB 3.26Å; E721-N725 PolarHBondContact O-N 2.71Å |
| 722 | Q | 89.4 | Confident | 89.3 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 172.5 | -73.6 | 174.6 | 2.4 | 0 | 0 | 112.1 | T718 L719 R720 N725 T726 Y743 | T718-Q722 WeakPolarHBondContact O-CG 3.3Å; T718-Q722 PolarHBondContact O-N 2.93Å; L719-Q722 PolarHBondContact O-N 2.8Å; R720-Q722 VanDerWaalsContact C-N 3.32Å; R720-Q722 PolarHBondContact O-N 3.13Å; Q722-N725 PolarHBondContact O-N 3.21Å; Q722-T726 WeakPolarHBondContact O-CB 3.49Å; Q722-T726 PolarHBondContact O-N 3.36Å; Q722-T726 PolarHBondContact O-OG1 2.84Å; Q722-T726 VanDerWaalsContact O-OG1 3.06Å; Q722-Y743 HydrophobicContact CB-CE1 4.17Å; Q722-Y743 PolarHBondContact O-OH 2.83Å |
| 723 | A | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L680 F683 I684 L719 R720 T726 R727 Y743 | L680-A723 HydrophobicContact CD2-CB 4.39Å; F683-A723 HydrophobicContact CD1-CB 3.7Å; F683-A723 HydrophobicContact CE1-CB 3.94Å; I684-A723 HydrophobicContact CD1-CB 4.22Å; I684-A723 HydrophobicContact CG1-CB 3.65Å; L719-A723 WeakPolarHBondContact O-CB 3.45Å; L719-A723 PolarHBondContact O-N 3.33Å; R720-A723 PolarHBondContact O-N 3.35Å; A723-T726 PolarHBondContact O-N 2.79Å; A723-R727 VanDerWaalsContact O-CB 3.29Å; A723-R727 WeakPolarHBondContact O-CB 3.44Å; A723-R727 PolarHBondContact O-N 3.47Å; A723-Y743 HydrophobicContact CB-CD2 4.46Å; A723-Y743 HydrophobicContact CB-CE2 3.97Å |
| 724 | I | 94.2 | Very high | 88.7 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 23% | 0.226 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.5 | -50.7 | 172 | -68.5 | 164.6 | 0 | 0 | 0 | 110 | I684 R720 T726 R727 E728 | I684-I724 HydrophobicContact CD1-CG1 3.84Å; I684-I724 HydrophobicContact CG1-CG1 4.07Å; I684-I724 HydrophobicContact CG2-CD1 4.37Å; I684-I724 HydrophobicContact CG2-CG1 4.06Å; R720-I724 HydrophobicContact CG-CD1 4.23Å; R720-I724 VanDerWaalsContact O-CG1 3.31Å; R720-I724 WeakPolarHBondContact O-CG1 3.43Å; R720-I724 PolarHBondContact O-N 3.32Å; I724-T726 PolarHBondContact O-N 2.97Å; I724-R727 WeakPolarHBondContact O-CB 3.28Å; I724-R727 PolarHBondContact O-N 2.96Å; I724-E728 PolarHBondContact O-N 2.97Å; I724-E728 VanDerWaalsContact O-N 3.11Å |
| 725 | N | 90.8 | Very high | 88.5 | Confident | 90 Ų | 90 | 67.1 Ų | 67.1 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 177.7 | 176.9 | 87.2 | 0 | 0 | 0 | 112.1 | E721 Q722 R727 E728 T729 | E721-N725 WeakPolarHBondContact O-CB 3.26Å; E721-N725 PolarHBondContact O-N 2.71Å; Q722-N725 PolarHBondContact O-N 3.21Å; N725-R727 VanDerWaalsContact C-N 3.33Å; N725-R727 PolarHBondContact O-N 2.95Å; N725-E728 PolarHBondContact O-N 3.5Å; N725-E728 VanDerWaalsContact O-N 3.15Å; N725-T729 PolarHBondContact ND2-OG1 3.24Å; N725-T729 WeakPolarHBondContact O-CB 3.42Å; N725-T729 WeakPolarHBondContact O-CG2 3.4Å; N725-T729 PolarHBondContact O-N 3.3Å; N725-T729 PolarHBondContact O-OG1 2.77Å |
| 726 | T | 88.4 | Confident | 88.5 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 178 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | L680 Q722 A723 I724 E728 T729 V730 E739 Y743 | L680-T726 HydrophobicContact CD1-CG2 4.22Å; L680-T726 HydrophobicContact CD2-CG2 4.18Å; Q722-T726 WeakPolarHBondContact O-CB 3.49Å; Q722-T726 PolarHBondContact O-N 3.36Å; Q722-T726 PolarHBondContact O-OG1 2.84Å; Q722-T726 VanDerWaalsContact O-OG1 3.06Å; A723-T726 PolarHBondContact O-N 2.79Å; I724-T726 PolarHBondContact O-N 2.97Å; T726-E728 VanDerWaalsContact C-N 3.27Å; T726-E728 PolarHBondContact O-N 3.41Å; T726-T729 PolarHBondContact O-N 3.16Å; T726-V730 HydrophobicContact CG2-CB 4.45Å; T726-V730 HydrophobicContact CG2-CG2 3.92Å; T726-V730 WeakPolarHBondContact O-CB 3.39Å; T726-V730 PolarHBondContact O-N 3.02Å; T726-E739 HydrophobicContact CG2-CB 4Å; T726-E739 HydrophobicContact CG2-CG 4.26Å; T726-Y743 WeakPolarHBondContact CB-OH 3.4Å; T726-Y743 PolarHBondContact OG1-OH 2.88Å |
| 727 | R | 89.8 | Confident | 88.3 | Confident | 105 Ų | 105 | 66.9 Ų | 66.9 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -31 | 175.9 | -170.7 | -168.7 | -175.9 | -73.7 | 1.6 | 113.4 | L680 D681 A723 I724 N725 | L680-R727 HydrophobicContact CB-CB 4.47Å; L680-R727 HydrophobicContact CB-CG 4.47Å; L680-R727 HydrophobicContact CD1-CB 4.02Å; L680-R727 HydrophobicContact CD1-CG 4.37Å; D681-R727 VanDerWaalsContact CG-NE 3.34Å; D681-R727 IonicContact OD1-CZ 3.5Å; D681-R727 VanDerWaalsContact OD1-CZ 3.29Å; D681-R727 IonicContact OD1-NE 3.79Å; D681-R727 PolarHBondContact OD1-NE 3.48Å; D681-R727 IonicContact OD1-NH2 2.7Å; D681-R727 PolarHBondContact OD1-NH2 2.99Å; D681-R727 VanDerWaalsContact OD1-NH2 3.16Å; D681-R727 IonicContact OD2-CZ 3.69Å; D681-R727 IonicContact OD2-NE 2.8Å; D681-R727 PolarHBondContact OD2-NE 3.29Å; D681-R727 IonicContact OD2-NH2 3.29Å; D681-R727 PolarHBondContact OD2-NH2 2.83Å; A723-R727 VanDerWaalsContact O-CB 3.29Å; A723-R727 WeakPolarHBondContact O-CB 3.44Å; A723-R727 PolarHBondContact O-N 3.47Å; I724-R727 WeakPolarHBondContact O-CB 3.28Å; I724-R727 PolarHBondContact O-N 2.96Å; N725-R727 VanDerWaalsContact C-N 3.33Å; N725-R727 PolarHBondContact O-N 2.95Å |
| 728 | E | 89.2 | Confident | 88 | Confident | 151 Ų | 151 | 67.6 Ų | 67.6 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -90 | -24.8 | 179.4 | -69.6 | -174 | 172.6 | 0 | 0 | 114 | I724 N725 T726 | I724-E728 PolarHBondContact O-N 2.97Å; I724-E728 VanDerWaalsContact O-N 3.11Å; N725-E728 PolarHBondContact O-N 3.5Å; N725-E728 VanDerWaalsContact O-N 3.15Å; T726-E728 VanDerWaalsContact C-N 3.27Å; T726-E728 PolarHBondContact O-N 3.41Å |
| 729 | T | 83.8 | Confident | 88 | Confident | 83 Ų | 83 | 67.5 Ų | 67.5 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -115.1 | -25 | -167.8 | 59.9 | 0 | 0 | 0 | 0 | 115.7 | N725 T726 S731 | N725-T729 PolarHBondContact ND2-OG1 3.24Å; N725-T729 WeakPolarHBondContact O-CB 3.42Å; N725-T729 WeakPolarHBondContact O-CG2 3.4Å; N725-T729 PolarHBondContact O-N 3.3Å; N725-T729 PolarHBondContact O-OG1 2.77Å; T726-T729 PolarHBondContact O-N 3.16Å; T729-S731 PolarHBondContact O-N 3Å |
| 730 | V | 81.3 | Confident | 88 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | trans | -83 | 121.6 | -174.7 | 175.4 | 0 | 0 | 0 | 0 | 111 | T726 E732 D735 A736 | T726-V730 HydrophobicContact CG2-CB 4.45Å; T726-V730 HydrophobicContact CG2-CG2 3.92Å; T726-V730 WeakPolarHBondContact O-CB 3.39Å; T726-V730 PolarHBondContact O-N 3.02Å; V730-E732 VanDerWaalsContact CG1-O 3.27Å; V730-E732 WeakPolarHBondContact CG1-O 3.26Å; V730-D735 HydrophobicContact CG1-CB 3.71Å; V730-A736 HydrophobicContact CG1-CB 4.08Å | ||
| 731 | S | 79.6 | Confident | 87.9 | Confident | 115 Ų | 115 | 68.8 Ų | 68.8 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | trans | -95 | -20.2 | -179.4 | 53.1 | 0 | 0 | 0 | 0 | 114.7 | T729 | T729-S731 PolarHBondContact O-N 3Š| ||
| 732 | E | 84.9 | Confident | 87.6 | Confident | 123 Ų | 123 | 63.9 Ų | 63.9 | 58% | 0.575 | 33% | 0.327 | S | S | * | . | trans | -110.8 | 138.3 | -175.3 | -65.2 | -170.6 | -170.2 | 0 | 0 | 111.9 | V730 D734 D735 A736 | V730-E732 VanDerWaalsContact CG1-O 3.27Å; V730-E732 WeakPolarHBondContact CG1-O 3.26Å; E732-D734 PolarHBondContact O-N 2.81Å; E732-D735 PolarHBondContact O-N 3.12Å; E732-A736 PolarHBondContact O-N 3.01Å; E732-A736 VanDerWaalsContact O-N 3.15Å | ||
| 733 | I | 86.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69 | -33.8 | -173.7 | -69.1 | 159.7 | 0 | 0 | 0 | 111.7 | L659 I663 I669 Q672 A736 L737 | L659-I733 HydrophobicContact CD1-CG2 4.06Å; L659-I733 HydrophobicContact CD2-CG2 4.5Å; I663-I733 HydrophobicContact CD1-CG2 3.88Å; I663-I733 HydrophobicContact CG1-CG2 4.24Å; I669-I733 HydrophobicContact CG2-CD1 3.95Å; Q672-I733 HydrophobicContact CB-CD1 3.65Å; I733-A736 PolarHBondContact O-N 3.17Å; I733-L737 WeakPolarHBondContact O-CB 3.42Å; I733-L737 PolarHBondContact O-N 3.16Å |
| 734 | D | 85.4 | Confident | 87.9 | Confident | 115 Ų | 115 | 63.9 Ų | 63.9 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.1 | -36.5 | 177.7 | -76.2 | -51.2 | 0 | 0 | 0 | 112.5 | E732 L737 K738 | E732-D734 PolarHBondContact O-N 2.81Å; D734-L737 PolarHBondContact O-N 3.38Å; D734-K738 VanDerWaalsContact O-CB 3.29Å; D734-K738 WeakPolarHBondContact O-CB 3.48Å; D734-K738 PolarHBondContact O-N 2.68Å |
| 735 | D | 84.6 | Confident | 87.6 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 172.6 | -85.9 | -28 | 0 | 0 | 0 | 111.3 | V730 E732 L737 K738 E739 | V730-D735 HydrophobicContact CG1-CB 3.71Å; E732-D735 PolarHBondContact O-N 3.12Å; D735-L737 VanDerWaalsContact C-N 3.34Å; D735-L737 PolarHBondContact O-N 2.99Å; D735-K738 WeakPolarHBondContact O-CB 3.4Å; D735-K738 PolarHBondContact O-N 3.12Å; D735-K738 IonicContact OD1-NZ 2.74Å; D735-E739 PolarHBondContact O-N 2.9Å |
| 736 | A | 87.4 | Confident | 87.4 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V730 E732 I733 K738 E739 L740 | V730-A736 HydrophobicContact CG1-CB 4.08Å; E732-A736 PolarHBondContact O-N 3.01Å; E732-A736 VanDerWaalsContact O-N 3.15Å; I733-A736 PolarHBondContact O-N 3.17Å; A736-K738 VanDerWaalsContact C-N 3.33Å; A736-K738 PolarHBondContact O-N 2.83Å; A736-E739 PolarHBondContact O-N 3.34Å; A736-L740 WeakPolarHBondContact O-CG 3.4Å; A736-L740 PolarHBondContact O-N 3.41Å |
| 737 | L | 88.3 | Confident | 87.7 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 175.7 | -180 | 64.6 | 0 | 0 | 0 | 112.3 | I656 L659 M660 I663 I733 D734 D735 K741 | I656-L737 HydrophobicContact CG2-CD1 4.03Å; L659-L737 HydrophobicContact CD2-CB 4.3Å; L659-L737 HydrophobicContact CD2-CD1 4.06Å; L659-L737 HydrophobicContact CG-CD1 4.45Å; M660-L737 HydrophobicContact CG-CD1 4Å; M660-L737 HydrophobicContact CG-CD2 4.06Å; I663-L737 HydrophobicContact CD1-CD2 3.98Å; I733-L737 WeakPolarHBondContact O-CB 3.42Å; I733-L737 PolarHBondContact O-N 3.16Å; D734-L737 PolarHBondContact O-N 3.38Å; D735-L737 VanDerWaalsContact C-N 3.34Å; D735-L737 PolarHBondContact O-N 2.99Å; L737-K741 HydrophobicContact CG-CD 4.36Å; L737-K741 WeakPolarHBondContact O-CB 3.49Å; L737-K741 WeakPolarHBondContact O-CD 3.41Å; L737-K741 VanDerWaalsContact O-CG 3.27Å; L737-K741 WeakPolarHBondContact O-CG 3.44Å; L737-K741 PolarHBondContact O-N 2.77Å |
| 738 | K | 85.6 | Confident | 87.9 | Confident | 110 Ų | 110 | 59.5 Ų | 59.5 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 176.1 | 178 | -173.1 | 171.7 | -163.1 | 0 | 111.8 | D734 D735 A736 S742 | D734-K738 VanDerWaalsContact O-CB 3.29Å; D734-K738 WeakPolarHBondContact O-CB 3.48Å; D734-K738 PolarHBondContact O-N 2.68Å; D735-K738 WeakPolarHBondContact O-CB 3.4Å; D735-K738 PolarHBondContact O-N 3.12Å; D735-K738 IonicContact OD1-NZ 2.74Å; A736-K738 VanDerWaalsContact C-N 3.33Å; A736-K738 PolarHBondContact O-N 2.83Å; K738-S742 WeakPolarHBondContact O-CB 3.15Å; K738-S742 PolarHBondContact O-N 3.32Å |
| 739 | E | 88.4 | Confident | 87.8 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.6 | -43.1 | 174.8 | -70.9 | -54.9 | 124 | 0 | 0 | 112.3 | T726 D735 A736 K741 S742 Y743 | T726-E739 HydrophobicContact CG2-CB 4Å; T726-E739 HydrophobicContact CG2-CG 4.26Å; D735-E739 PolarHBondContact O-N 2.9Å; A736-E739 PolarHBondContact O-N 3.34Å; E739-K741 VanDerWaalsContact C-N 3.31Å; E739-K741 PolarHBondContact O-N 2.97Å; E739-S742 WeakPolarHBondContact O-CA 3.48Å; E739-S742 WeakPolarHBondContact O-CB 3.21Å; E739-S742 PolarHBondContact O-N 3.16Å; E739-Y743 HydrophobicContact CB-CE2 4.22Å; E739-Y743 WeakPolarHBondContact O-CD2 3.46Å; E739-Y743 VanDerWaalsContact O-CG 3.28Å; E739-Y743 PolarHBondContact O-N 2.9Å; E739-Y743 PolarHBondContact OE2-OH 2.76Å |
| 740 | L | 92 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 174 | -74.4 | 169.8 | 0 | 0 | 0 | 112.3 | L652 I656 L659 L680 A736 S742 Y743 R744 | L652-L740 HydrophobicContact CD2-CD2 3.71Å; I656-L740 HydrophobicContact CD1-CB 4.14Å; I656-L740 HydrophobicContact CG1-CB 3.86Å; L659-L740 HydrophobicContact CD2-CD1 4.3Å; L680-L740 HydrophobicContact CD2-CD2 3.73Å; L680-L740 HydrophobicContact CD2-CG 4.37Å; L680-L740 HydrophobicContact CG-CD2 4.07Å; A736-L740 WeakPolarHBondContact O-CG 3.4Å; A736-L740 PolarHBondContact O-N 3.41Å; L740-S742 VanDerWaalsContact C-N 3.33Å; L740-S742 PolarHBondContact O-N 3.04Å; L740-Y743 PolarHBondContact O-N 2.94Å; L740-R744 PolarHBondContact O-N 2.91Å; L740-R744 VanDerWaalsContact O-N 3.09Å |
| 741 | K | 91.8 | Very high | 88.8 | Confident | 85 Ų | 85 | 51.2 Ų | 51.2 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 174.3 | -74.3 | 168.4 | -179.4 | 170.3 | 0 | 112.4 | I656 M660 L737 E739 E745 | I656-K741 HydrophobicContact CD1-CG 3.93Å; I656-K741 HydrophobicContact CG1-CG 4.45Å; I656-K741 HydrophobicContact CG2-CG 4.28Å; M660-K741 PolarHBondContact SD-NZ 2.82Å; M660-K741 VanDerWaalsContact SD-NZ 3.4Å; L737-K741 HydrophobicContact CG-CD 4.36Å; L737-K741 WeakPolarHBondContact O-CB 3.49Å; L737-K741 WeakPolarHBondContact O-CD 3.41Å; L737-K741 VanDerWaalsContact O-CG 3.27Å; L737-K741 WeakPolarHBondContact O-CG 3.44Å; L737-K741 PolarHBondContact O-N 2.77Å; E739-K741 VanDerWaalsContact C-N 3.31Å; E739-K741 PolarHBondContact O-N 2.97Å; K741-E745 PolarHBondContact O-N 2.69Å; K741-E745 VanDerWaalsContact O-N 3.15Å |
| 742 | S | 85.7 | Confident | 89.3 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | C240 K738 E739 L740 T746 | C240-S742 PolarHBondContact SG-OG 2.94Å; K738-S742 WeakPolarHBondContact O-CB 3.15Å; K738-S742 PolarHBondContact O-N 3.32Å; E739-S742 WeakPolarHBondContact O-CA 3.48Å; E739-S742 WeakPolarHBondContact O-CB 3.21Å; E739-S742 PolarHBondContact O-N 3.16Å; L740-S742 VanDerWaalsContact C-N 3.33Å; L740-S742 PolarHBondContact O-N 3.04Å; S742-T746 PolarHBondContact O-N 3.49Å; S742-T746 VanDerWaalsContact O-N 3.09Å; S742-T746 PolarHBondContact O-OG1 3.41Å |
| 743 | Y | 93.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -47.9 | 177.4 | -58.5 | -22.1 | 0 | 0 | 0 | 111.5 | L680 F683 L719 Q722 A723 T726 E739 L740 E745 T746 I747 | L680-Y743 HydrophobicContact CD2-CE2 4.11Å; F683-Y743 AromaticContact CD1-CD2 3.8Å; F683-Y743 HydrophobicContact CD1-CD2 3.8Å; F683-Y743 HydrophobicContact CD1-CG 4.37Å; F683-Y743 AromaticContact CE1-CD2 3.53Å; F683-Y743 HydrophobicContact CE1-CD2 3.53Å; F683-Y743 HydrophobicContact CE1-CE2 4.34Å; F683-Y743 AromaticContact CE1-CG 3.68Å; F683-Y743 HydrophobicContact CE1-CG 3.68Å; F683-Y743 HydrophobicContact CZ-CD2 4.42Å; F683-Y743 HydrophobicContact CZ-CG 4.18Å; L719-Y743 HydrophobicContact CD2-CD1 3.7Å; L719-Y743 HydrophobicContact CD2-CE1 4.4Å; L719-Y743 HydrophobicContact CD2-CG 4.37Å; Q722-Y743 HydrophobicContact CB-CE1 4.17Å; Q722-Y743 PolarHBondContact O-OH 2.83Å; A723-Y743 HydrophobicContact CB-CD2 4.46Å; A723-Y743 HydrophobicContact CB-CE2 3.97Å; T726-Y743 WeakPolarHBondContact CB-OH 3.4Å; T726-Y743 PolarHBondContact OG1-OH 2.88Å; E739-Y743 HydrophobicContact CB-CE2 4.22Å; E739-Y743 WeakPolarHBondContact O-CD2 3.46Å; E739-Y743 VanDerWaalsContact O-CG 3.28Å; E739-Y743 PolarHBondContact O-N 2.9Å; E739-Y743 PolarHBondContact OE2-OH 2.76Å; L740-Y743 PolarHBondContact O-N 2.94Å; Y743-E745 PolarHBondContact O-N 3.34Å; Y743-T746 WeakPolarHBondContact O-CB 3.41Å; Y743-T746 PolarHBondContact O-N 3.2Å; Y743-T746 VanDerWaalsContact O-N 3.08Å; Y743-I747 WeakPolarHBondContact O-CG1 3.4Å; Y743-I747 PolarHBondContact O-N 3.3Å |
| 744 | R | 94.6 | Very high | 90.1 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.2 | -49.4 | 176.5 | 178 | -166.2 | 164.7 | -80.3 | 12.4 | 112.1 | L652 E653 I656 L740 T746 I747 L748 | L652-R744 HydrophobicContact CB-CB 4.13Å; L652-R744 HydrophobicContact CB-CG 4.44Å; L652-R744 HydrophobicContact CD1-CB 3.93Å; E653-R744 IonicContact OE2-CZ 2.74Å; E653-R744 IonicContact OE2-NE 2.77Å; E653-R744 PolarHBondContact OE2-NE 2.87Å; E653-R744 IonicContact OE2-NH2 3.8Å; E653-R744 PolarHBondContact OE2-NH2 2.83Å; I656-R744 HydrophobicContact CD1-CB 4.35Å; L740-R744 PolarHBondContact O-N 2.91Å; L740-R744 VanDerWaalsContact O-N 3.09Å; R744-T746 VanDerWaalsContact C-N 3.28Å; R744-T746 PolarHBondContact O-N 2.89Å; R744-I747 PolarHBondContact O-N 3.21Å; R744-L748 HydrophobicContact CG-CD1 4.34Å; R744-L748 VanDerWaalsContact NH1-CD1 3.28Å; R744-L748 WeakPolarHBondContact O-CG 3.45Å; R744-L748 PolarHBondContact O-N 2.98Å |
| 745 | E | 88 | Confident | 90.5 | Very high | 90 Ų | 90 | 37.9 Ų | 37.9 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.3 | -36.2 | 179.4 | -162.7 | 70.1 | 179.4 | 0 | 0 | 111.7 | K741 Y743 N749 | K741-E745 PolarHBondContact O-N 2.69Å; K741-E745 VanDerWaalsContact O-N 3.15Å; Y743-E745 PolarHBondContact O-N 3.34Å; E745-N749 PolarHBondContact O-N 2.84Å; E745-N749 VanDerWaalsContact O-N 3.16Å; E745-N749 PolarHBondContact O-ND2 2.94Å |
| 746 | T | 88.1 | Confident | 90.7 | Very high | 10 Ų | 10 | 38 Ų | 38 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 175.6 | -50 | 0 | 0 | 0 | 0 | 111.4 | L719 S742 Y743 R744 N749 L750 | L719-T746 HydrophobicContact CD1-CG2 3.92Å; L719-T746 HydrophobicContact CD2-CG2 4.16Å; L719-T746 HydrophobicContact CG-CG2 4.44Å; S742-T746 PolarHBondContact O-N 3.49Å; S742-T746 VanDerWaalsContact O-N 3.09Å; S742-T746 PolarHBondContact O-OG1 3.41Å; Y743-T746 WeakPolarHBondContact O-CB 3.41Å; Y743-T746 PolarHBondContact O-N 3.2Å; Y743-T746 VanDerWaalsContact O-N 3.08Å; R744-T746 VanDerWaalsContact C-N 3.28Å; R744-T746 PolarHBondContact O-N 2.89Å; T746-N749 PolarHBondContact O-N 2.72Å; T746-L750 WeakPolarHBondContact O-CG 3.41Å; T746-L750 PolarHBondContact O-N 2.75Å; T746-L750 VanDerWaalsContact O-N 3.13Å |
| 747 | I | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | 177 | -64.8 | -69.9 | 0 | 0 | 0 | 111.5 | L645 I648 A649 F683 L716 L719 Y743 R744 N749 L750 A751 | L645-I747 HydrophobicContact CB-CG2 4.16Å; L645-I747 HydrophobicContact CD2-CD1 4.3Å; L645-I747 HydrophobicContact CD2-CG2 4.26Å; L645-I747 WeakPolarHBondContact O-CG2 3.48Å; I648-I747 HydrophobicContact CB-CG2 4.25Å; I648-I747 HydrophobicContact CG2-CD1 4.3Å; I648-I747 HydrophobicContact CG2-CG1 4.29Å; I648-I747 HydrophobicContact CG2-CG2 4.36Å; A649-I747 HydrophobicContact CB-CG2 3.96Å; F683-I747 HydrophobicContact CE2-CD1 4.09Å; F683-I747 HydrophobicContact CE2-CG1 3.94Å; F683-I747 HydrophobicContact CZ-CD1 4.35Å; F683-I747 HydrophobicContact CZ-CG1 4.28Å; L716-I747 HydrophobicContact CD2-CD1 3.65Å; L719-I747 HydrophobicContact CD1-CD1 3.64Å; L719-I747 HydrophobicContact CD1-CG1 4.12Å; Y743-I747 WeakPolarHBondContact O-CG1 3.4Å; Y743-I747 PolarHBondContact O-N 3.3Å; R744-I747 PolarHBondContact O-N 3.21Å; I747-N749 VanDerWaalsContact C-N 3.29Å; I747-N749 PolarHBondContact O-N 2.79Å; I747-L750 PolarHBondContact O-N 2.83Å; I747-L750 VanDerWaalsContact O-N 3.08Å; I747-A751 PolarHBondContact O-N 2.7Å |
| 748 | L | 93.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 37.3 Ų | 37.3 | 29% | 0.288 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 176.1 | -72.3 | 174.8 | 0 | 0 | 0 | 112.3 | L646 A649 R744 A751 | L646-L748 HydrophobicContact CD2-CD2 4.08Å; A649-L748 HydrophobicContact CB-CD2 3.65Å; A649-L748 HydrophobicContact CB-CG 3.95Å; R744-L748 HydrophobicContact CG-CD1 4.34Å; R744-L748 VanDerWaalsContact NH1-CD1 3.28Å; R744-L748 WeakPolarHBondContact O-CG 3.45Å; R744-L748 PolarHBondContact O-N 2.98Å; L748-A751 PolarHBondContact O-N 3.1Å |
| 749 | N | 87.2 | Confident | 91.8 | Very high | 81 Ų | 81 | 32 Ų | 32 | 43% | 0.433 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67 | -34 | 174.4 | -74.7 | -53.8 | 0 | 0 | 0 | 112.7 | E745 T746 I747 | E745-N749 PolarHBondContact O-N 2.84Å; E745-N749 VanDerWaalsContact O-N 3.16Å; E745-N749 PolarHBondContact O-ND2 2.94Å; T746-N749 PolarHBondContact O-N 2.72Å; I747-N749 VanDerWaalsContact C-N 3.29Å; I747-N749 PolarHBondContact O-N 2.79Å |
| 750 | L | 90.4 | Very high | 92.2 | Very high | 20 Ų | 20 | 30.6 Ų | 30.6 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.3 | -25.5 | 175.6 | -67.9 | 169.1 | 0 | 0 | 0 | 113.5 | L645 L711 R712 Q715 L719 T746 I747 I752 | L645-L750 HydrophobicContact CD1-CB 4.01Å; L645-L750 WeakPolarHBondContact CD1-O 3.5Å; L645-L750 HydrophobicContact CD2-CB 4.42Å; L711-L750 HydrophobicContact CG-CD2 4.42Å; R712-L750 PolarHBondContact NE-O 3.01Å; R712-L750 PolarHBondContact NH2-O 2.86Å; Q715-L750 HydrophobicContact CB-CD1 3.68Å; Q715-L750 HydrophobicContact CB-CD2 4.02Å; Q715-L750 HydrophobicContact CB-CG 4.49Å; Q715-L750 HydrophobicContact CG-CD2 4.1Å; L719-L750 HydrophobicContact CD1-CD1 4.38Å; T746-L750 WeakPolarHBondContact O-CG 3.41Å; T746-L750 PolarHBondContact O-N 2.75Å; T746-L750 VanDerWaalsContact O-N 3.13Å; I747-L750 PolarHBondContact O-N 2.83Å; I747-L750 VanDerWaalsContact O-N 3.08Å; L750-I752 PolarHBondContact O-N 2.92Å |
| 751 | A | 94.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V642 L645 L646 I747 L748 E753 | V642-A751 WeakPolarHBondContact CG1-O 3.13Å; V642-A751 WeakPolarHBondContact CG2-O 3.33Å; L645-A751 HydrophobicContact CB-CB 3.83Å; L646-A751 HydrophobicContact CD2-CB 3.78Å; L646-A751 HydrophobicContact CG-CB 4.02Å; I747-A751 PolarHBondContact O-N 2.7Å; L748-A751 PolarHBondContact O-N 3.1Å; A751-E753 PolarHBondContact O-N 3.07Å |
| 752 | I | 92 | Very high | 92.7 | Very high | 72 Ų | 72 | 26.6 Ų | 26.6 | 37% | 0.369 | 14% | 0.136 | S | C | . | . | trans | -66.1 | 127.1 | 174.5 | -59.1 | 175.9 | 0 | 0 | 0 | 109.2 | Q468 R712 L750 | Q468-I752 HydrophobicContact CG-CG2 4.02Å; R712-I752 PolarHBondContact NH2-O 3.28Å; L750-I752 PolarHBondContact O-N 2.92Å | ||
| 753 | E | 94.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | trans | -124.6 | 105.6 | 178.8 | -179.7 | 53.3 | -113.2 | 0 | 0 | 110 | R638 V642 L708 R712 A751 Q755 M756 | R638-E753 HydrophobicContact CB-CG 4.4Å; V642-E753 HydrophobicContact CG2-CB 3.47Å; V642-E753 VanDerWaalsContact CG2-CB 3.47Å; V642-E753 HydrophobicContact CG2-CG 4.13Å; L708-E753 WeakPolarHBondContact CD1-OE1 3.46Å; L708-E753 WeakPolarHBondContact CD1-OE2 3.24Å; R712-E753 IonicContact CZ-OE2 3.56Å; R712-E753 IonicContact NH1-OE2 3.84Å; R712-E753 PolarHBondContact NH1-OE2 2.92Å; R712-E753 IonicContact NH2-OE2 3.51Å; R712-E753 PolarHBondContact NH2-OE2 2.79Å; A751-E753 PolarHBondContact O-N 3.07Å; E753-Q755 VanDerWaalsContact C-N 3.26Å; E753-Q755 PolarHBondContact O-N 3.49Å; E753-Q755 WeakPolarHBondContact OE1-CB 3.48Å; E753-Q755 PolarHBondContact OE1-N 2.74Å; E753-M756 HydrophobicContact CB-CG 4.1Å; E753-M756 HydrophobicContact CG-CG 3.99Å | ||
| 754 | P | 92 | Very high | 93.3 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 18% | 0.175 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.7 | 179.6 | 27.9 | -34 | 0 | 0 | 0 | 112.5 | Q468 I469 M704 L708 M756 | Q468-P754 HydrophobicContact CB-CB 4.35Å; I469-P754 HydrophobicContact CG2-CB 3.9Å; I469-P754 HydrophobicContact CG2-CG 4.01Å; M704-P754 HydrophobicContact CE-CG 3.7Å; L708-P754 HydrophobicContact CD1-CG 4.48Å; P754-M756 VanDerWaalsContact C-N 3.34Å; P754-M756 PolarHBondContact O-N 3.11Å |
| 755 | Q | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 36.2 | -174 | -48.3 | -166.1 | 97.1 | 0 | 0 | 113.9 | F483 R638 N702 M704 D705 E753 S757 | F483-Q755 HydrophobicContact CD2-CG 4.04Å; F483-Q755 HydrophobicContact CE2-CB 4.41Å; F483-Q755 HydrophobicContact CE2-CG 3.86Å; R638-Q755 VanDerWaalsContact NH1-CB 3.34Å; R638-Q755 PolarHBondContact NH1-O 3.26Å; N702-Q755 PolarHBondContact ND2-OE1 3.14Å; N702-Q755 PolarHBondContact OD1-NE2 3.45Å; N702-Q755 PolarHBondContact OD1-OE1 3.04Å; M704-Q755 HydrophobicContact CG-CG 4.22Å; D705-Q755 PolarHBondContact OD1-NE2 3.22Å; E753-Q755 VanDerWaalsContact C-N 3.26Å; E753-Q755 PolarHBondContact O-N 3.49Å; E753-Q755 WeakPolarHBondContact OE1-CB 3.48Å; E753-Q755 PolarHBondContact OE1-N 2.74Å; Q755-S757 PolarHBondContact O-N 3.18Å |
| 756 | M | 90.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 19.8 Ų | 19.8 | 38% | 0.379 | 11% | 0.105 | S | C | . | . | trans | -74.7 | 85.3 | 173.7 | -73.4 | -167.1 | -72.8 | 0 | 0 | 111.7 | N489 L639 E753 P754 H780 | N489-M756 PolarHBondContact ND2-O 3.25Å; N489-M756 VanDerWaalsContact ND2-O 3.07Å; L639-M756 HydrophobicContact CD2-CG 3.99Å; E753-M756 HydrophobicContact CB-CG 4.1Å; E753-M756 HydrophobicContact CG-CG 3.99Å; P754-M756 VanDerWaalsContact C-N 3.34Å; P754-M756 PolarHBondContact O-N 3.11Å; M756-H780 PolarHBondContact SD-ND1 3.07Å | ||
| 757 | S | 93.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | trans | -81.5 | -20.8 | -176.9 | 59.8 | 0 | 0 | 0 | 0 | 114.8 | N489 R520 E633 Q755 | N489-S757 VanDerWaalsContact ND2-C 3.27Å; N489-S757 PolarHBondContact ND2-O 3.14Å; N489-S757 PolarHBondContact OD1-O 3.37Å; R520-S757 PolarHBondContact NH1-O 2.99Å; E633-S757 WeakPolarHBondContact OE1-CB 3.47Å; E633-S757 PolarHBondContact OE1-OG 3.44Å; Q755-S757 PolarHBondContact O-N 3.18Å | ||
| 758 | I | 95.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -76 | 128.9 | 171.9 | -58.8 | -179 | 0 | 0 | 0 | 109.3 | N489 I584 W632 I635 L639 A779 F829 | N489-I758 VanDerWaalsContact ND2-C 3.33Å; N489-I758 PolarHBondContact ND2-O 2.95Å; I584-I758 HydrophobicContact CD1-CG2 3.94Å; W632-I758 HydrophobicContact CB-CD1 4.31Å; W632-I758 HydrophobicContact CB-CG1 4.06Å; W632-I758 HydrophobicContact CG-CG1 4.36Å; W632-I758 HydrophobicContact CG-CG2 4.29Å; I635-I758 HydrophobicContact CD1-CD1 4.26Å; I635-I758 HydrophobicContact CD1-CG1 4.01Å; I635-I758 HydrophobicContact CG1-CD1 3.84Å; I635-I758 HydrophobicContact CG1-CG1 4.01Å; L639-I758 HydrophobicContact CD1-CD1 4.12Å; I758-A779 HydrophobicContact CB-CB 4.33Å; I758-A779 HydrophobicContact CG2-CB 3.73Å; I758-F829 HydrophobicContact CD1-CE1 4.23Å; I758-F829 HydrophobicContact CG2-CE1 3.94Å; I758-F829 HydrophobicContact CG2-CZ 3.91Å |
| 759 | P | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -65 | 160.3 | 178.5 | -19.6 | 30.8 | 0 | 0 | 0 | 113.9 | Y517 I584 W632 | Y517-P759 HydrophobicContact CD2-CB 4.01Å; Y517-P759 HydrophobicContact CD2-CG 4.19Å; Y517-P759 HydrophobicContact CE2-CB 4.03Å; Y517-P759 HydrophobicContact CE2-CG 3.69Å; I584-P759 HydrophobicContact CG1-CB 4.31Å; W632-P759 HydrophobicContact CH2-CG 3.6Å; W632-P759 HydrophobicContact CZ2-CG 4.02Å; W632-P759 HydrophobicContact CZ3-CG 3.85Å |
| 760 | D | 96.1 | Very high | 91.5 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 147.4 | 168.8 | -67.2 | 22.2 | 0 | 0 | 0 | 110.5 | Y491 R776 | Y491-D760 HydrophobicContact CE1-CB 4.4Å; Y491-D760 WeakPolarHBondContact OH-CB 3.34Å; Y491-D760 PolarHBondContact OH-N 3.25Å; Y491-D760 PolarHBondContact OH-OD1 2.96Å; D760-R776 IonicContact OD1-NH2 2.73Å; D760-R776 IonicContact OD2-CZ 3.32Å; D760-R776 IonicContact OD2-NE 3.09Å; D760-R776 PolarHBondContact OD2-NE 2.89Å; D760-R776 IonicContact OD2-NH2 3.13Å; D760-R776 PolarHBondContact OD2-NH2 3.13Å |
| 761 | I | 97.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 126.1 | 166.6 | -62.4 | 156.4 | 0 | 0 | 0 | 107.5 | L560 I582 S583 I584 R776 I777 V782 V827 F829 | L560-I761 HydrophobicContact CD1-CD1 3.69Å; L560-I761 HydrophobicContact CD1-CG1 4.25Å; L560-I761 HydrophobicContact CD1-CG2 4.46Å; L560-I761 HydrophobicContact CD2-CB 4.48Å; L560-I761 HydrophobicContact CD2-CD1 4.28Å; L560-I761 HydrophobicContact CD2-CG1 3.9Å; L560-I761 HydrophobicContact CD2-CG2 3.84Å; I582-I761 HydrophobicContact CG2-CG2 4.22Å; S583-I761 WeakPolarHBondContact O-CA 3.4Å; I584-I761 HydrophobicContact CB-CG1 4.31Å; I584-I761 HydrophobicContact CD1-CG1 4Å; I584-I761 HydrophobicContact CG1-CG1 4.38Å; I761-R776 CarbonylContact O-C 3.55Å; I761-I777 HydrophobicContact CB-CB 4.28Å; I761-I777 PolarHBondContact N-O 3.09Å; I761-I777 PolarHBondContact O-N 2.72Å; I761-V782 HydrophobicContact CD1-CG2 3.42Å; I761-V782 VanDerWaalsContact CD1-CG2 3.42Å; I761-V827 HydrophobicContact CD1-CG1 4.43Å; I761-F829 HydrophobicContact CD1-CB 4.24Å; I761-F829 HydrophobicContact CD1-CG 4.45Å |
| 762 | I | 96.2 | Very high | 91 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.8 | -179.6 | -43.1 | -176.3 | 0 | 0 | 0 | 108.8 | S583 W764 Y774 H775 R776 | S583-I762 PolarHBondContact N-O 2.63Å; S583-I762 PolarHBondContact O-N 2.87Å; I762-W764 HydrophobicContact CG2-CD2 4.45Å; I762-W764 HydrophobicContact CG2-CG 4.41Å; I762-W764 HydrophobicContact CG2-CZ2 4.36Å; I762-Y774 HydrophobicContact CG2-CD2 4.36Å; I762-H775 WeakPolarHBondContact CA-O 3.42Å; I762-R776 HydrophobicContact CG1-CG 4.28Å; I762-R776 HydrophobicContact CG2-CG 4.49Å |
| 763 | I | 97 | Very high | 91 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.1 | 168.9 | -46.5 | -166.3 | 0 | 0 | 0 | 107.4 | F564 E581 I582 Y774 H775 I777 I801 L823 | F564-I763 HydrophobicContact CE1-CG2 4.46Å; E581-I763 CarbonylContact O-C 3.53Å; E581-I763 WeakPolarHBondContact O-CA 3.37Å; I582-I763 HydrophobicContact CD1-CB 4.05Å; I582-I763 HydrophobicContact CD1-CD1 3.99Å; I582-I763 HydrophobicContact CD1-CG1 3.57Å; I582-I763 HydrophobicContact CD1-CG2 3.91Å; I763-Y774 CarbonylContact O-C 3.54Å; I763-Y774 WeakPolarHBondContact O-CA 3.43Å; I763-H775 PolarHBondContact N-O 2.88Å; I763-H775 PolarHBondContact O-N 3.23Å; I763-I777 HydrophobicContact CD1-CD1 3.91Å; I763-I777 HydrophobicContact CG1-CD1 4.26Å; I763-I801 HydrophobicContact CD1-CD1 4.07Å; I763-L823 HydrophobicContact CG2-CD1 3.85Å |
| 764 | W | 95.2 | Very high | 91 | Very high | 5 Ų | 5 | 25 Ų | 25 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.3 | 173.5 | -75.6 | 103.7 | 0 | 0 | 0 | 111.2 | P494 V515 A516 F580 E581 I762 L766 R771 Y774 | P494-W764 HydrophobicContact CB-CH2 4.22Å; P494-W764 HydrophobicContact CG-CH2 4.35Å; V515-W764 HydrophobicContact CB-CH2 4.35Å; V515-W764 HydrophobicContact CG2-CH2 3.95Å; A516-W764 HydrophobicContact CB-CZ2 3.97Å; F580-W764 CarbonylContact C-O 3.55Å; F580-W764 VanDerWaalsContact CA-O 3.22Å; F580-W764 WeakPolarHBondContact CA-O 3.2Å; E581-W764 HydrophobicContact CB-CB 4.2Å; E581-W764 PolarHBondContact N-O 2.76Å; E581-W764 PolarHBondContact O-N 2.66Å; I762-W764 HydrophobicContact CG2-CD2 4.45Å; I762-W764 HydrophobicContact CG2-CG 4.41Å; I762-W764 HydrophobicContact CG2-CZ2 4.36Å; W764-L766 HydrophobicContact CB-CD1 3.8Å; W764-R771 HydrophobicContact CB-CG 4.47Å; W764-R771 HydrophobicContact CD2-CB 4.37Å; W764-R771 HydrophobicContact CD2-CG 4.01Å; W764-R771 HydrophobicContact CE3-CB 3.62Å; W764-R771 HydrophobicContact CE3-CG 3.77Å; W764-R771 HydrophobicContact CG-CG 4.32Å; W764-R771 HydrophobicContact CZ3-CB 3.85Å; W764-R771 HydrophobicContact CZ3-CG 4.35Å; W764-Y774 HydrophobicContact CH2-CG 4.29Å; W764-Y774 HydrophobicContact CZ3-CG 4.26Å |
| 765 | M | 93.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.034 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.2 | 167.9 | 177.3 | -177.4 | -175.5 | 0 | 0 | 109.3 | I570 I578 F580 T772 A773 L803 P820 A821 | I570-M765 HydrophobicContact CG2-CE 4.22Å; I578-M765 HydrophobicContact CD1-CE 3.69Å; I578-M765 HydrophobicContact CG2-CE 4.13Å; I578-M765 HydrophobicContact CG2-CG 4.07Å; F580-M765 HydrophobicContact CD1-CB 3.99Å; F580-M765 HydrophobicContact CD1-CG 4.3Å; F580-M765 HydrophobicContact CE1-CB 3.82Å; F580-M765 HydrophobicContact CE1-CG 3.72Å; F580-M765 HydrophobicContact CE1-SD 4.37Å; M765-T772 PolarHBondContact O-N 3.38Å; M765-T772 PolarHBondContact O-OG1 2.96Å; M765-A773 HydrophobicContact CB-CB 4.16Å; M765-A773 PolarHBondContact N-O 3.37Å; M765-A773 HydrophobicContact SD-CB 4.05Å; M765-L803 HydrophobicContact CB-CD1 3.58Å; M765-L803 HydrophobicContact CG-CD1 4.26Å; M765-L803 HydrophobicContact SD-CD1 3.92Å; M765-P820 HydrophobicContact SD-CB 4.13Å; M765-A821 HydrophobicContact CE-CB 4Å; M765-A821 HydrophobicContact SD-CB 3.83Å |
| 766 | L | 90 | Very high | 91.3 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.7 | 179 | -66 | 80.7 | 0 | 0 | 0 | 109.5 | I578 E579 E581 W764 K770 R771 | I578-L766 WeakPolarHBondContact CA-O 3.17Å; E579-L766 HydrophobicContact CG-CB 3.84Å; E579-L766 PolarHBondContact N-O 2.86Å; E579-L766 PolarHBondContact O-N 3.28Å; E581-L766 HydrophobicContact CB-CD1 3.54Å; W764-L766 HydrophobicContact CB-CD1 3.8Å; L766-K770 CarbonylContact C-O 3.49Å; L766-K770 VanDerWaalsContact CA-O 3.23Å; L766-K770 WeakPolarHBondContact CA-O 3.38Å; L766-R771 HydrophobicContact CG-CG 4.15Å |
| 767 | C | 86.2 | Confident | 91.6 | Very high | 25 Ų | 25 | 25 Ų | 25 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.9 | 172.4 | -64.1 | 0 | 0 | 0 | 0 | 108.3 | G769 K770 T772 | C767-G769 PolarHBondContact O-N 2.98Å; C767-K770 PolarHBondContact N-O 3.29Å; C767-K770 PolarHBondContact O-N 2.78Å; C767-K770 VanDerWaalsContact O-N 3.13Å; C767-T772 HydrophobicContact CB-CG2 3.85Å; C767-T772 PolarHBondContact SG-OG1 3.28Å; C767-T772 VanDerWaalsContact SG-OG1 3.39Å |
| 768 | G | 76.9 | Confident | 91.7 | Very high | 55 Ų | 55 | 26.6 Ų | 26.6 | 57% | 0.567 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 30.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P577 | P577-G768 PolarHBondContact O-N 2.78Š|
| 769 | G | 76.3 | Confident | 91.6 | Very high | 51 Ų | 51 | 26.6 Ų | 26.6 | 53% | 0.526 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -2.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | C767 | C767-G769 PolarHBondContact O-N 2.98Š|
| 770 | K | 83.3 | Confident | 91.6 | Very high | 148 Ų | 148 | 27.5 Ų | 27.5 | 64% | 0.643 | 16% | 0.163 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.4 | 175.5 | -67.8 | -178 | 176.3 | -178.4 | 0 | 111.6 | L766 C767 T772 | L766-K770 CarbonylContact C-O 3.49Å; L766-K770 VanDerWaalsContact CA-O 3.23Å; L766-K770 WeakPolarHBondContact CA-O 3.38Å; C767-K770 PolarHBondContact N-O 3.29Å; C767-K770 PolarHBondContact O-N 2.78Å; C767-K770 VanDerWaalsContact O-N 3.13Å; K770-T772 PolarHBondContact O-N 3.02Å |
| 771 | R | 87.9 | Confident | 91.6 | Very high | 27 Ų | 27 | 28.7 Ų | 28.7 | 10% | 0.102 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 118.3 | -179.7 | -74.1 | 176.6 | 174.8 | 129.8 | 0.2 | 110.1 | R495 E496 E581 N589 W764 L766 | R495-R771 PolarHBondContact O-NH1 3.18Å; E496-R771 WeakPolarHBondContact OE1-CB 3.3Å; E496-R771 PolarHBondContact OE1-N 2.86Å; E581-R771 IonicContact OE1-CZ 2.99Å; E581-R771 IonicContact OE1-NE 2.72Å; E581-R771 PolarHBondContact OE1-NE 3.12Å; E581-R771 IonicContact OE1-NH2 2.66Å; E581-R771 PolarHBondContact OE1-NH2 2.86Å; E581-R771 IonicContact OE2-NH2 2.68Å; N589-R771 PolarHBondContact OD1-NH2 2.88Å; W764-R771 HydrophobicContact CB-CG 4.47Å; W764-R771 HydrophobicContact CD2-CB 4.37Å; W764-R771 HydrophobicContact CD2-CG 4.01Å; W764-R771 HydrophobicContact CE3-CB 3.62Å; W764-R771 HydrophobicContact CE3-CG 3.77Å; W764-R771 HydrophobicContact CG-CG 4.32Å; W764-R771 HydrophobicContact CZ3-CB 3.85Å; W764-R771 HydrophobicContact CZ3-CG 4.35Å; L766-R771 HydrophobicContact CG-CG 4.15Å |
| 772 | T | 86.8 | Confident | 91.5 | Very high | 53 Ų | 53 | 28.7 Ų | 28.7 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -36.2 | -171.1 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | M765 C767 K770 | M765-T772 PolarHBondContact O-N 3.38Å; M765-T772 PolarHBondContact O-OG1 2.96Å; C767-T772 HydrophobicContact CB-CG2 3.85Å; C767-T772 PolarHBondContact SG-OG1 3.28Å; C767-T772 VanDerWaalsContact SG-OG1 3.39Å; K770-T772 PolarHBondContact O-N 3.02Å |
| 773 | A | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 162.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M765 L803 K804 P820 | M765-A773 HydrophobicContact CB-CB 4.16Å; M765-A773 PolarHBondContact N-O 3.37Å; M765-A773 HydrophobicContact SD-CB 4.05Å; A773-L803 HydrophobicContact CB-CB 4Å; A773-L803 HydrophobicContact CB-CD1 4.3Å; A773-K804 CarbonylContact C-O 3.56Å; A773-K804 VanDerWaalsContact CA-O 3.25Å; A773-K804 WeakPolarHBondContact CA-O 3.37Å; A773-K804 WeakPolarHBondContact CB-O 3.36Å; A773-P820 HydrophobicContact CB-CB 3.63Å; A773-P820 HydrophobicContact CB-CG 3.76Å |
| 774 | Y | 94.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 167 | -178.2 | 80.7 | -66.7 | 0 | 0 | 0 | 113.1 | V515 I762 I763 W764 R776 K804 P806 | V515-Y774 HydrophobicContact CB-CD1 4.31Å; V515-Y774 HydrophobicContact CB-CD2 4.15Å; V515-Y774 HydrophobicContact CB-CE1 3.91Å; V515-Y774 HydrophobicContact CB-CE2 3.71Å; V515-Y774 HydrophobicContact CB-CG 4.44Å; V515-Y774 HydrophobicContact CG1-CD1 4.46Å; V515-Y774 HydrophobicContact CG1-CE1 3.64Å; V515-Y774 HydrophobicContact CG1-CE2 3.99Å; V515-Y774 VanDerWaalsContact CG1-OH 3.29Å; V515-Y774 WeakPolarHBondContact CG1-OH 3.22Å; I762-Y774 HydrophobicContact CG2-CD2 4.36Å; I763-Y774 CarbonylContact O-C 3.54Å; I763-Y774 WeakPolarHBondContact O-CA 3.43Å; W764-Y774 HydrophobicContact CH2-CG 4.29Å; W764-Y774 HydrophobicContact CZ3-CG 4.26Å; Y774-R776 HydrophobicContact CD2-CG 4.22Å; Y774-R776 HydrophobicContact CE2-CG 4.03Å; Y774-K804 HydrophobicContact CD1-CG 4.32Å; Y774-K804 VanDerWaalsContact CD1-O 3.31Å; Y774-K804 WeakPolarHBondContact CD1-O 3.49Å; Y774-K804 HydrophobicContact CE1-CD 4.42Å; Y774-K804 HydrophobicContact CE1-CG 3.89Å; Y774-K804 PolarHBondContact N-O 3.01Å; Y774-K804 PolarHBondContact O-N 2.88Å; Y774-K804 VanDerWaalsContact OH-CE 3.24Å; Y774-K804 WeakPolarHBondContact OH-CE 3.36Å; Y774-P806 HydrophobicContact CD1-CG 4.19Å; Y774-P806 HydrophobicContact CE1-CG 4.36Å |
| 775 | H | 96.3 | Very high | 91.4 | Very high | 57 Ų | 57 | 32.9 Ų | 32.9 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 147.3 | 162.4 | -159.9 | 97.8 | 0 | 0 | 0 | 109.6 | I762 I763 I801 N802 L803 | I762-H775 WeakPolarHBondContact CA-O 3.42Å; I763-H775 PolarHBondContact N-O 2.88Å; I763-H775 PolarHBondContact O-N 3.23Å; H775-I801 HydrophobicContact CB-CG2 3.79Å; H775-I801 WeakPolarHBondContact ND1-CG2 3.42Å; H775-N802 PolarHBondContact ND1-O 3.02Å; H775-L803 HydrophobicContact CB-CD2 3.73Å |
| 776 | R | 95.5 | Very high | 91.3 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 17% | 0.17 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.7 | 176.3 | -80.8 | 174.4 | 57.1 | 170.8 | 1.3 | 109.1 | G514 D760 I761 I762 Y774 | G514-R776 PolarHBondContact O-NH1 3.31Å; D760-R776 IonicContact OD1-NH2 2.73Å; D760-R776 IonicContact OD2-CZ 3.32Å; D760-R776 IonicContact OD2-NE 3.09Å; D760-R776 PolarHBondContact OD2-NE 2.89Å; D760-R776 IonicContact OD2-NH2 3.13Å; D760-R776 PolarHBondContact OD2-NH2 3.13Å; I761-R776 CarbonylContact O-C 3.55Å; I762-R776 HydrophobicContact CG1-CG 4.28Å; I762-R776 HydrophobicContact CG2-CG 4.49Å; Y774-R776 HydrophobicContact CD2-CG 4.22Å; Y774-R776 HydrophobicContact CE2-CG 4.03Å |
| 777 | I | 96.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.2 | 177.2 | -55.3 | 172.6 | 0 | 0 | 0 | 107.3 | I761 I763 A779 E781 V782 I801 V827 | I761-I777 HydrophobicContact CB-CB 4.28Å; I761-I777 PolarHBondContact N-O 3.09Å; I761-I777 PolarHBondContact O-N 2.72Å; I763-I777 HydrophobicContact CD1-CD1 3.91Å; I763-I777 HydrophobicContact CG1-CD1 4.26Å; I777-A779 PolarHBondContact O-N 2.85Å; I777-E781 HydrophobicContact CG2-CB 4.44Å; I777-V782 HydrophobicContact CG2-CG1 3.96Å; I777-V782 HydrophobicContact CG2-CG2 4.16Å; I777-I801 HydrophobicContact CD1-CD1 3.67Å; I777-I801 HydrophobicContact CG1-CD1 4.37Å; I777-V827 HydrophobicContact CD1-CG2 4.29Å |
| 778 | P | 95.7 | Very high | 91.6 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | trans | -57.1 | 135.4 | 171.9 | -23.3 | 33.5 | 0 | 0 | 0 | 111.1 | H780 E781 | P778-H780 PolarHBondContact O-N 2.89Å; P778-H780 VanDerWaalsContact O-N 3.12Å; P778-E781 HydrophobicContact CB-CG 4.39Å; P778-E781 VanDerWaalsContact CD-OE1 3.31Å; P778-E781 WeakPolarHBondContact CD-OE1 3.23Å; P778-E781 PolarHBondContact O-N 3.36Å; P778-E781 VanDerWaalsContact O-N 3.17Å | ||
| 779 | A | 94.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -58.4 | -31.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I758 I777 E781 V782 L783 F829 | I758-A779 HydrophobicContact CB-CB 4.33Å; I758-A779 HydrophobicContact CG2-CB 3.73Å; I777-A779 PolarHBondContact O-N 2.85Å; A779-E781 PolarHBondContact O-N 3Å; A779-V782 PolarHBondContact O-N 2.73Å; A779-L783 WeakPolarHBondContact O-CB 3.49Å; A779-L783 PolarHBondContact O-N 3.34Å; A779-L783 VanDerWaalsContact O-N 3.11Å; A779-F829 HydrophobicContact CB-CD1 4.2Å; A779-F829 HydrophobicContact CB-CE1 4.06Å |
| 780 | H | 95.1 | Very high | 93.2 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -66.3 | -34.7 | -179.3 | 67.6 | -99.5 | 0 | 0 | 0 | 113.4 | L639 N643 M756 P778 V782 L783 G792 | L639-H780 HydrophobicContact CB-CB 4.16Å; L639-H780 HydrophobicContact CD1-CB 4.48Å; L639-H780 HydrophobicContact CD2-CB 4.23Å; N643-H780 PolarHBondContact ND2-O 2.93Å; N643-H780 VanDerWaalsContact ND2-O 3.08Å; N643-H780 PolarHBondContact OD1-O 3.23Å; N643-H780 VanDerWaalsContact OD1-O 3.08Å; M756-H780 PolarHBondContact SD-ND1 3.07Å; P778-H780 PolarHBondContact O-N 2.89Å; P778-H780 VanDerWaalsContact O-N 3.12Å; H780-V782 PolarHBondContact O-N 2.88Å; H780-V782 VanDerWaalsContact O-N 3.1Å; H780-L783 PolarHBondContact O-N 2.95Å; H780-G792 WeakPolarHBondContact O-CA 3.19Å |
| 781 | E | 94.7 | Very high | 93.8 | Very high | 50 Ų | 50 | 37 Ų | 37 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -58.6 | -28.1 | -179.1 | -71 | -168.6 | -145.3 | 0 | 0 | 112.8 | I777 P778 A779 G792 L793 K794 C795 | I777-E781 HydrophobicContact CG2-CB 4.44Å; P778-E781 HydrophobicContact CB-CG 4.39Å; P778-E781 VanDerWaalsContact CD-OE1 3.31Å; P778-E781 WeakPolarHBondContact CD-OE1 3.23Å; P778-E781 PolarHBondContact O-N 3.36Å; P778-E781 VanDerWaalsContact O-N 3.17Å; A779-E781 PolarHBondContact O-N 3Å; E781-G792 CarbonylContact O-C 3.32Å; E781-G792 WeakPolarHBondContact O-CA 3.31Å; E781-L793 PolarHBondContact O-N 2.88Å; E781-K794 CarbonylContact O-C 3.48Å; E781-K794 WeakPolarHBondContact O-CA 3.2Å; E781-K794 PolarHBondContact O-N 3.18Å; E781-K794 WeakPolarHBondContact OE2-CE 3.35Å; E781-K794 IonicContact OE2-NZ 2.72Å; E781-K794 PolarHBondContact OE2-NZ 3.2Å; E781-C795 PolarHBondContact O-N 2.94Å |
| 782 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -123.3 | 13.7 | -174.6 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | I761 I777 A779 H780 K794 C795 V827 F829 | I761-V782 HydrophobicContact CD1-CG2 3.42Å; I761-V782 VanDerWaalsContact CD1-CG2 3.42Å; I777-V782 HydrophobicContact CG2-CG1 3.96Å; I777-V782 HydrophobicContact CG2-CG2 4.16Å; A779-V782 PolarHBondContact O-N 2.73Å; H780-V782 PolarHBondContact O-N 2.88Å; H780-V782 VanDerWaalsContact O-N 3.1Å; V782-K794 HydrophobicContact CG1-CB 4.28Å; V782-C795 PolarHBondContact O-SG 3.14Å; V782-V827 HydrophobicContact CB-CB 4.24Å; V782-V827 HydrophobicContact CB-CG1 3.75Å; V782-V827 HydrophobicContact CG1-CB 3.84Å; V782-V827 HydrophobicContact CG1-CG1 3.74Å; V782-V827 HydrophobicContact CG2-CG1 3.75Å; V782-F829 HydrophobicContact CG2-CB 4.17Å; V782-F829 PolarHBondContact O-N 2.98Å |
| 783 | L | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 128 | 178 | -176 | 70.4 | 0 | 0 | 0 | 110.7 | Y558 L639 A779 H780 G792 C795 F829 | Y558-L783 HydrophobicContact CE1-CD1 4.31Å; L639-L783 HydrophobicContact CB-CD2 3.58Å; L639-L783 HydrophobicContact CD1-CD2 3.87Å; L639-L783 HydrophobicContact CG-CD2 4.35Å; A779-L783 WeakPolarHBondContact O-CB 3.49Å; A779-L783 PolarHBondContact O-N 3.34Å; A779-L783 VanDerWaalsContact O-N 3.11Å; H780-L783 PolarHBondContact O-N 2.95Å; L783-G792 PolarHBondContact O-N 2.75Å; L783-C795 VanDerWaalsContact C-SG 3.56Å; L783-F829 CarbonylContact C-O 3.56Å; L783-F829 WeakPolarHBondContact CA-O 2.94Å; L783-F829 HydrophobicContact CD1-CD1 3.7Å; L783-F829 HydrophobicContact CD1-CE1 3.96Å |
| 784 | Y | 95.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 14% | 0.137 | 19% | 0.194 | C | C | . | . | trans | -79 | 139.9 | 171.8 | -179.8 | -95.2 | 0 | 0 | 0 | 111.3 | D786 C795 W828 F829 D834 A837 | Y784-D786 VanDerWaalsContact CE1-OD1 3.27Å; Y784-D786 WeakPolarHBondContact CE1-OD1 3.47Å; Y784-D786 PolarHBondContact OH-OD1 2.82Å; Y784-C795 VanDerWaalsContact CA-SG 3.55Å; Y784-C795 PolarHBondContact N-SG 3.45Å; Y784-W828 AromaticContact CD1-CZ2 3.93Å; Y784-W828 HydrophobicContact CD1-CZ2 3.93Å; Y784-W828 HydrophobicContact CD2-CZ2 4.31Å; Y784-W828 AromaticContact CD2-NE1 3.28Å; Y784-W828 VanDerWaalsContact CD2-NE1 3.28Å; Y784-W828 AromaticContact CG-CE2 3.72Å; Y784-W828 AromaticContact CG-CZ2 3.68Å; Y784-W828 HydrophobicContact CG-CZ2 3.68Å; Y784-W828 AromaticContact CG-NE1 3.43Å; Y784-F829 PolarHBondContact N-O 2.87Å; Y784-D834 HydrophobicContact CD1-CB 3.73Å; Y784-D834 HydrophobicContact CE1-CB 3.7Å; Y784-A837 HydrophobicContact CD2-CB 4.14Å; Y784-A837 HydrophobicContact CE1-CB 4.09Å; Y784-A837 HydrophobicContact CE2-CB 3.47Å; Y784-A837 VanDerWaalsContact CE2-CB 3.47Å; Y784-A837 VanDerWaalsContact CZ-CB 3.45Å | ||
| 785 | H | 94.2 | Very high | 94.5 | Very high | 58 Ų | 58 | 40.9 Ų | 40.9 | 27% | 0.269 | 20% | 0.197 | S | C | . | . | trans | -149.1 | 147.7 | 169 | -166.6 | -82.7 | 0 | 0 | 0 | 108.5 | N787 Y790 R791 | H785-N787 PolarHBondContact ND1-N 3.24Å; H785-N787 PolarHBondContact ND1-O 2.94Å; H785-Y790 AromaticContact CE1-CD2 3.51Å; H785-Y790 AromaticContact ND1-CD2 3.74Å; H785-Y790 AromaticContact NE2-CD2 3.97Å; H785-R791 HydrophobicContact CB-CB 4.44Å; H785-R791 PolarHBondContact O-NE 3.3Å; H785-R791 PolarHBondContact O-NH2 2.92Å | ||
| 786 | D | 90.8 | Very high | 94.2 | Very high | 99 Ų | 99 | 39.2 Ų | 39.2 | 53% | 0.529 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -65.9 | -48.5 | -179.4 | -70.3 | -33.7 | 0 | 0 | 0 | 111.4 | Y784 E788 R791 | Y784-D786 VanDerWaalsContact CE1-OD1 3.27Å; Y784-D786 WeakPolarHBondContact CE1-OD1 3.47Å; Y784-D786 PolarHBondContact OH-OD1 2.82Å; D786-E788 PolarHBondContact O-N 2.9Å; D786-R791 PolarHBondContact O-NH2 2.75Å |
| 787 | N | 93.1 | Very high | 93.9 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 31% | 0.31 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -66.1 | 126.8 | 165.9 | -171.8 | 11.4 | 0 | 0 | 0 | 110.5 | H785 D789 Y790 R791 | H785-N787 PolarHBondContact ND1-N 3.24Å; H785-N787 PolarHBondContact ND1-O 2.94Å; N787-D789 PolarHBondContact ND2-OD2 2.82Å; N787-D789 PolarHBondContact O-N 2.84Å; N787-D789 PolarHBondContact OD1-N 3.27Å; N787-Y790 HydrophobicContact CB-CD2 3.96Å; N787-Y790 HydrophobicContact CB-CE2 4.23Å; N787-Y790 HydrophobicContact CB-CG 4.44Å; N787-Y790 WeakPolarHBondContact ND2-CE2 3.41Å; N787-Y790 PolarHBondContact O-N 3.31Å; N787-R791 PolarHBondContact O-N 2.86Å |
| 788 | E | 90.3 | Very high | 93.6 | Very high | 115 Ų | 115 | 40.4 Ų | 40.4 | 54% | 0.537 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -67.3 | -34.7 | -177.7 | -49.7 | -151 | 123.3 | 0 | 0 | 112.4 | R647 D786 Y790 R791 | R647-E788 VanDerWaalsContact CZ-O 3.25Å; R647-E788 PolarHBondContact NE-O 3.2Å; R647-E788 PolarHBondContact NH2-O 2.82Å; D786-E788 PolarHBondContact O-N 2.9Å; E788-Y790 PolarHBondContact O-N 3.1Å; E788-Y790 VanDerWaalsContact O-N 3.15Å; E788-R791 WeakPolarHBondContact O-CB 3.48Å; E788-R791 PolarHBondContact O-N 2.85Å; E788-R791 IonicContact OE1-CZ 3.7Å; E788-R791 IonicContact OE1-NH1 2.65Å; E788-R791 PolarHBondContact OE1-NH1 2.89Å; E788-R791 IonicContact OE1-NH2 3.14Å |
| 789 | D | 91.9 | Very high | 93.4 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -52.4 | -39.2 | 177.4 | -65.1 | -22.7 | 0 | 0 | 0 | 112.3 | L644 H689 N787 | L644-D789 WeakPolarHBondContact CA-O 2.89Å; L644-D789 HydrophobicContact CD1-CB 4.25Å; L644-D789 PolarHBondContact N-O 3.43Å; H689-D789 IonicContact CE1-OD1 3.29Å; H689-D789 IonicContact CE1-OD2 3.32Å; H689-D789 IonicContact CG-OD2 3.04Å; H689-D789 VanDerWaalsContact ND1-CG 3.29Å; H689-D789 IonicContact ND1-OD1 2.77Å; H689-D789 PolarHBondContact ND1-OD1 3.36Å; H689-D789 IonicContact ND1-OD2 3.72Å; H689-D789 PolarHBondContact ND1-OD2 3.39Å; N787-D789 PolarHBondContact ND2-OD2 2.82Å; N787-D789 PolarHBondContact O-N 2.84Å; N787-D789 PolarHBondContact OD1-N 3.27Å |
| 790 | Y | 95.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 41 Ų | 41 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -94.6 | -6.4 | -175 | -50.7 | -22 | 0 | 0 | 0 | 112.7 | N643 L644 T690 P692 H785 N787 E788 | N643-Y790 WeakPolarHBondContact CB-O 2.92Å; N643-Y790 PolarHBondContact ND2-O 2.8Å; L644-Y790 HydrophobicContact CB-CD1 4.31Å; L644-Y790 HydrophobicContact CD2-CE1 4.27Å; T690-Y790 WeakPolarHBondContact O-CE1 3.29Å; T690-Y790 PolarHBondContact O-OH 2.77Å; P692-Y790 HydrophobicContact CB-CD2 4.3Å; P692-Y790 HydrophobicContact CB-CE2 4.11Å; P692-Y790 HydrophobicContact CG-CD1 3.74Å; P692-Y790 HydrophobicContact CG-CD2 3.84Å; P692-Y790 HydrophobicContact CG-CE1 3.77Å; P692-Y790 HydrophobicContact CG-CE2 3.87Å; P692-Y790 HydrophobicContact CG-CG 3.81Å; H785-Y790 AromaticContact CE1-CD2 3.51Å; H785-Y790 AromaticContact ND1-CD2 3.74Å; H785-Y790 AromaticContact NE2-CD2 3.97Å; N787-Y790 HydrophobicContact CB-CD2 3.96Å; N787-Y790 HydrophobicContact CB-CE2 4.23Å; N787-Y790 HydrophobicContact CB-CG 4.44Å; N787-Y790 WeakPolarHBondContact ND2-CE2 3.41Å; N787-Y790 PolarHBondContact O-N 3.31Å; E788-Y790 PolarHBondContact O-N 3.1Å; E788-Y790 VanDerWaalsContact O-N 3.15Å |
| 791 | R | 95.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 19% | 0.189 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -77.2 | 137.2 | 178.9 | -169.8 | -177.1 | -60.4 | 146.9 | 6.3 | 109.9 | R647 H785 D786 N787 E788 C795 | R647-R791 PolarHBondContact NH2-O 2.86Å; R647-R791 VanDerWaalsContact NH2-O 3.08Å; H785-R791 HydrophobicContact CB-CB 4.44Å; H785-R791 PolarHBondContact O-NE 3.3Å; H785-R791 PolarHBondContact O-NH2 2.92Å; D786-R791 PolarHBondContact O-NH2 2.75Å; N787-R791 PolarHBondContact O-N 2.86Å; E788-R791 WeakPolarHBondContact O-CB 3.48Å; E788-R791 PolarHBondContact O-N 2.85Å; E788-R791 IonicContact OE1-CZ 3.7Å; E788-R791 IonicContact OE1-NH1 2.65Å; E788-R791 PolarHBondContact OE1-NH1 2.89Å; E788-R791 IonicContact OE1-NH2 3.14Å; R791-C795 HydrophobicContact CG-CB 3.9Å |
| 792 | G | 95.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -57.3 | 136.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N643 H780 E781 L783 K794 C795 | N643-G792 WeakPolarHBondContact ND2-CA 3.38Å; N643-G792 PolarHBondContact ND2-N 2.85Å; N643-G792 VanDerWaalsContact ND2-N 3.19Å; H780-G792 WeakPolarHBondContact O-CA 3.19Å; E781-G792 CarbonylContact O-C 3.32Å; E781-G792 WeakPolarHBondContact O-CA 3.31Å; L783-G792 PolarHBondContact O-N 2.75Å; G792-K794 PolarHBondContact O-N 2.8Å; G792-C795 VanDerWaalsContact O-CB 3.24Å; G792-C795 WeakPolarHBondContact O-CB 3.44Å; G792-C795 PolarHBondContact O-N 3.19Å | ||
| 793 | L | 92.7 | Very high | 93.3 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.7 | -173.6 | -71.5 | 172.2 | 0 | 0 | 0 | 114.2 | L646 R647 D650 E781 | L646-L793 HydrophobicContact CB-CD1 4.03Å; R647-L793 HydrophobicContact CB-CD2 4.04Å; R647-L793 HydrophobicContact CG-CD2 4.27Å; D650-L793 HydrophobicContact CB-CD1 4.36Å; E781-L793 PolarHBondContact O-N 2.88Å |
| 794 | K | 92.5 | Very high | 93 | Very high | 83 Ų | 83 | 44 Ų | 44 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 13.8 | 179.1 | -53.9 | 178.8 | -168.3 | 155.4 | 0 | 113.1 | E781 V782 G792 G796 T797 | E781-K794 CarbonylContact O-C 3.48Å; E781-K794 WeakPolarHBondContact O-CA 3.2Å; E781-K794 PolarHBondContact O-N 3.18Å; E781-K794 WeakPolarHBondContact OE2-CE 3.35Å; E781-K794 IonicContact OE2-NZ 2.72Å; E781-K794 PolarHBondContact OE2-NZ 3.2Å; V782-K794 HydrophobicContact CG1-CB 4.28Å; G792-K794 PolarHBondContact O-N 2.8Å; K794-G796 PolarHBondContact O-N 3.29Å; K794-T797 WeakPolarHBondContact CA-OG1 3.45Å; K794-T797 PolarHBondContact O-OG1 2.98Å |
| 795 | C | 95 | Very high | 92.7 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 120 | -179.7 | -179 | 0 | 0 | 0 | 0 | 111 | E781 V782 L783 Y784 R791 G792 T797 | E781-C795 PolarHBondContact O-N 2.94Å; V782-C795 PolarHBondContact O-SG 3.14Å; L783-C795 VanDerWaalsContact C-SG 3.56Å; Y784-C795 VanDerWaalsContact CA-SG 3.55Å; Y784-C795 PolarHBondContact N-SG 3.45Å; R791-C795 HydrophobicContact CG-CB 3.9Å; G792-C795 VanDerWaalsContact O-CB 3.24Å; G792-C795 WeakPolarHBondContact O-CB 3.44Å; G792-C795 PolarHBondContact O-N 3.19Å; C795-T797 PolarHBondContact O-N 3.07Å |
| 796 | G | 89.7 | Confident | 92.4 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 2.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K794 V826 V827 | K794-G796 PolarHBondContact O-N 3.29Å; G796-V826 VanDerWaalsContact C-CG1 3.45Å; G796-V826 VanDerWaalsContact O-CG1 3.3Å; G796-V826 WeakPolarHBondContact O-CG1 3.48Å; G796-V827 PolarHBondContact N-O 3.02Å |
| 797 | T | 89.8 | Confident | 92 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -97.8 | 154.2 | 175 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | K794 C795 | K794-T797 WeakPolarHBondContact CA-OG1 3.45Å; K794-T797 PolarHBondContact O-OG1 2.98Å; C795-T797 PolarHBondContact O-N 3.07Å |
| 798 | A | 90.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 144.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L565 V825 V826 D1183 | L565-A798 HydrophobicContact CD1-CB 4.23Å; A798-V825 CarbonylContact C-O 3.53Å; A798-V825 WeakPolarHBondContact CA-O 3.43Å; A798-V826 HydrophobicContact CB-CG2 4.35Å; A798-D1183 WeakPolarHBondContact CB-OD2 3.38Å |
| 799 | Q | 91.4 | Very high | 90.6 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 9% | 0.089 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 148.6 | 174.5 | 57.5 | 178.8 | -61.5 | 0 | 0 | 110.3 | I801 R824 V825 | Q799-I801 HydrophobicContact CG-CD1 4.3Å; Q799-I801 HydrophobicContact CG-CG1 4.35Å; Q799-R824 WeakPolarHBondContact O-CA 3.4Å; Q799-V825 HydrophobicContact CG-CG2 3.95Å; Q799-V825 PolarHBondContact N-O 2.79Å; Q799-V825 PolarHBondContact O-N 2.85Å |
| 800 | T | 94.5 | Very high | 89.5 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.9 | 179 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | Q822 L823 P1186 | T800-Q822 HydrophobicContact CG2-CG 3.59Å; T800-L823 CarbonylContact C-O 3.48Å; T800-L823 WeakPolarHBondContact CA-O 3.39Å; T800-P1186 HydrophobicContact CG2-CG 3.79Å; T800-P1186 WeakPolarHBondContact OG1-CD 3.38Å |
| 801 | I | 94.7 | Very high | 88.3 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.6 | -170.1 | -59.3 | -175.9 | 0 | 0 | 0 | 109.5 | I763 H775 I777 Q799 L803 L823 V825 | I763-I801 HydrophobicContact CD1-CD1 4.07Å; H775-I801 HydrophobicContact CB-CG2 3.79Å; H775-I801 WeakPolarHBondContact ND1-CG2 3.42Å; I777-I801 HydrophobicContact CD1-CD1 3.67Å; I777-I801 HydrophobicContact CG1-CD1 4.37Å; Q799-I801 HydrophobicContact CG-CD1 4.3Å; Q799-I801 HydrophobicContact CG-CG1 4.35Å; I801-L803 HydrophobicContact CG2-CD2 4.38Å; I801-L823 PolarHBondContact N-O 3.32Å; I801-L823 PolarHBondContact O-N 2.76Å; I801-V825 HydrophobicContact CD1-CG2 3.64Å; I801-V825 HydrophobicContact CG1-CG2 4.22Å |
| 802 | N | 94.5 | Very high | 86.7 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 23% | 0.225 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127 | 169.5 | -62.5 | -39 | 0 | 0 | 0 | 109.3 | H775 I819 Q822 Q1207 | H775-N802 PolarHBondContact ND1-O 3.02Å; N802-I819 HydrophobicContact CB-CD1 4.25Å; N802-I819 HydrophobicContact CB-CG2 4.16Å; N802-Q822 WeakPolarHBondContact OD1-CG 3.13Å; N802-Q822 PolarHBondContact OD1-NE2 3.14Å; N802-Q1207 PolarHBondContact ND2-NE2 3.06Å; N802-Q1207 PolarHBondContact ND2-OE1 2.73Å; N802-Q1207 VanDerWaalsContact ND2-OE1 3.12Å |
| 803 | L | 94.7 | Very high | 85.1 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | trans | -77.7 | 163 | 175.2 | -57.1 | -170 | 0 | 0 | 0 | 111.4 | F580 M765 A773 H775 I801 P820 A821 L823 | F580-L803 HydrophobicContact CD1-CD1 4.42Å; F580-L803 HydrophobicContact CE1-CD1 4Å; M765-L803 HydrophobicContact CB-CD1 3.58Å; M765-L803 HydrophobicContact CG-CD1 4.26Å; M765-L803 HydrophobicContact SD-CD1 3.92Å; A773-L803 HydrophobicContact CB-CB 4Å; A773-L803 HydrophobicContact CB-CD1 4.3Å; H775-L803 HydrophobicContact CB-CD2 3.73Å; I801-L803 HydrophobicContact CG2-CD2 4.38Å; L803-P820 VanDerWaalsContact O-CD 3.24Å; L803-P820 WeakPolarHBondContact O-CD 3.23Å; L803-A821 HydrophobicContact CD1-CB 4.09Å; L803-A821 HydrophobicContact CG-CB 4.45Å; L803-A821 PolarHBondContact N-O 3.3Å; L803-L823 HydrophobicContact CD1-CD1 4.21Å; L803-L823 HydrophobicContact CD1-CG 4.49Å; L803-L823 HydrophobicContact CD2-CD1 3.93Å; L803-L823 HydrophobicContact CD2-CG 4.36Å; L803-L823 HydrophobicContact CG-CD1 4.28Å; L803-L823 HydrophobicContact CG-CG 4.34Å | ||
| 804 | K | 90.9 | Very high | 83.7 | Confident | 83 Ų | 83 | 60 Ų | 60 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -139.1 | 157.8 | 174.3 | 59.1 | 177.2 | -179.6 | 169.5 | 0 | 112.1 | A773 Y774 | A773-K804 CarbonylContact C-O 3.56Å; A773-K804 VanDerWaalsContact CA-O 3.25Å; A773-K804 WeakPolarHBondContact CA-O 3.37Å; A773-K804 WeakPolarHBondContact CB-O 3.36Å; Y774-K804 HydrophobicContact CD1-CG 4.32Å; Y774-K804 VanDerWaalsContact CD1-O 3.31Å; Y774-K804 WeakPolarHBondContact CD1-O 3.49Å; Y774-K804 HydrophobicContact CE1-CD 4.42Å; Y774-K804 HydrophobicContact CE1-CG 3.89Å; Y774-K804 PolarHBondContact N-O 3.01Å; Y774-K804 PolarHBondContact O-N 2.88Å; Y774-K804 VanDerWaalsContact OH-CE 3.24Å; Y774-K804 WeakPolarHBondContact OH-CE 3.36Å |
| 805 | K | 89.5 | Confident | 82 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 32% | 0.317 | 31% | 0.307 | S | S | . | . | trans | -82.8 | 154 | 174.9 | -58.1 | -175.8 | -161.7 | 165.5 | 0 | 110.7 | T807 E816 P820 | K805-T807 PolarHBondContact O-N 3.06Å; K805-E816 WeakPolarHBondContact CD-OE2 3.21Å; K805-E816 IonicContact NZ-OE1 3.66Å; K805-E816 PolarHBondContact NZ-OE1 2.89Å; K805-E816 IonicContact NZ-OE2 3.05Å; K805-P820 HydrophobicContact CG-CG 3.97Å | ||
| 806 | P | 87.4 | Confident | 80.7 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.071 | 33% | 0.329 | C | S | . | . | trans | -65.6 | 125.8 | 168.8 | -21.2 | 34.1 | 0 | 0 | 0 | 111.7 | P494 Y504 V515 Y774 | P494-P806 HydrophobicContact CG-CB 4.37Å; P494-P806 HydrophobicContact CG-CG 4.13Å; Y504-P806 HydrophobicContact CD1-CB 4.38Å; Y504-P806 HydrophobicContact CD2-CB 4.44Å; Y504-P806 HydrophobicContact CE1-CB 3.92Å; Y504-P806 WeakPolarHBondContact CE1-O 3.36Å; Y504-P806 HydrophobicContact CE2-CB 3.95Å; Y504-P806 VanDerWaalsContact CZ-O 3.31Å; Y504-P806 PolarHBondContact OH-O 3.02Å; V515-P806 HydrophobicContact CG1-CB 3.96Å; V515-P806 HydrophobicContact CG2-CB 4.22Å; V515-P806 HydrophobicContact CG2-CG 4.33Å; Y774-P806 HydrophobicContact CD1-CG 4.19Å; Y774-P806 HydrophobicContact CE1-CG 4.36Å | ||
| 807 | T | 83.3 | Confident | 80 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | trans | -127 | 148.4 | -177.5 | 48.2 | 0 | 0 | 0 | 0 | 111.5 | K805 | K805-T807 PolarHBondContact O-N 3.06Š| ||
| 808 | L | 81.2 | Confident | 79.6 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | trans | -96.1 | 154.1 | 170.7 | -67.8 | 179.2 | 0 | 0 | 0 | 110.5 | K503 Y504 A506 L507 K810 D811 E812 | K503-L808 WeakPolarHBondContact O-CD1 3.26Å; Y504-L808 HydrophobicContact CD1-CD2 4.18Å; Y504-L808 HydrophobicContact CD1-CG 4.11Å; A506-L808 HydrophobicContact CB-CD2 4.15Å; L507-L808 HydrophobicContact CD2-CD2 3.87Å; L507-L808 HydrophobicContact CG-CD2 3.81Å; L808-K810 HydrophobicContact CB-CG 4.15Å; L808-K810 PolarHBondContact O-N 3.13Å; L808-K810 VanDerWaalsContact O-N 3.11Å; L808-D811 CarbonylContact O-C 3.52Å; L808-D811 WeakPolarHBondContact O-CA 3.21Å; L808-D811 WeakPolarHBondContact O-CB 3.46Å; L808-D811 PolarHBondContact O-N 3.19Å; L808-E812 PolarHBondContact O-N 2.73Å; L808-E812 VanDerWaalsContact O-N 3.08Å | ||
| 809 | L | 72.1 | Confident | 79.5 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 56% | 0.56 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -38.6 | -179.3 | -142.3 | 88.3 | 0 | 0 | 0 | 113.6 | D811 | L809-D811 VanDerWaalsContact C-N 3.26Å; L809-D811 PolarHBondContact O-N 2.81Å |
| 810 | K | 69.1 | Low | 79.4 | Confident | 161 Ų | 161 | 68.7 Ų | 68.7 | 70% | 0.7 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.3 | 176.5 | 71.5 | -173.9 | -178.3 | -171.6 | 0 | 114 | L808 | L808-K810 HydrophobicContact CB-CG 4.15Å; L808-K810 PolarHBondContact O-N 3.13Å; L808-K810 VanDerWaalsContact O-N 3.11Å |
| 811 | D | 68.9 | Low | 79.4 | Confident | 44 Ų | 44 | 67 Ų | 67 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -13.1 | -176.6 | -66.2 | -65.1 | 0 | 0 | 0 | 112.1 | L808 L809 K813 K814 | L808-D811 CarbonylContact O-C 3.52Å; L808-D811 WeakPolarHBondContact O-CA 3.21Å; L808-D811 WeakPolarHBondContact O-CB 3.46Å; L808-D811 PolarHBondContact O-N 3.19Å; L809-D811 VanDerWaalsContact C-N 3.26Å; L809-D811 PolarHBondContact O-N 2.81Å; D811-K813 PolarHBondContact O-N 2.86Å; D811-K813 VanDerWaalsContact O-N 3.12Å; D811-K814 HydrophobicContact CB-CD 4.37Å; D811-K814 VanDerWaalsContact O-CB 3.31Å; D811-K814 WeakPolarHBondContact O-CB 3.46Å; D811-K814 PolarHBondContact O-N 2.79Å; D811-K814 WeakPolarHBondContact OD1-CE 3.48Å; D811-K814 IonicContact OD1-NZ 3.9Å; D811-K814 PolarHBondContact OD1-NZ 2.9Å |
| 812 | E | 63.1 | Low | 79.4 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.6 | 177 | -70.5 | -175 | 172.9 | 0 | 0 | 113.9 | L808 K814 | L808-E812 PolarHBondContact O-N 2.73Å; L808-E812 VanDerWaalsContact O-N 3.08Å; E812-K814 VanDerWaalsContact C-N 3.33Å |
| 813 | K | 61.5 | Low | 79.5 | Confident | 175 Ų | 175 | 65.3 Ų | 65.3 | 76% | 0.761 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -9.1 | 173.7 | -64.6 | 179.1 | -176.5 | 168.7 | 0 | 113.4 | E341 D811 | E341-K813 IonicContact OE1-NZ 3.47Å; D811-K813 PolarHBondContact O-N 2.86Å; D811-K813 VanDerWaalsContact O-N 3.12Å |
| 814 | K | 63.9 | Low | 79.5 | Confident | 134 Ų | 134 | 65.6 Ų | 65.6 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -79.7 | 132.7 | 177.1 | -69.5 | 175.6 | 175.4 | 165.8 | 0 | 110.1 | D811 E812 E816 | D811-K814 HydrophobicContact CB-CD 4.37Å; D811-K814 VanDerWaalsContact O-CB 3.31Å; D811-K814 WeakPolarHBondContact O-CB 3.46Å; D811-K814 PolarHBondContact O-N 2.79Å; D811-K814 WeakPolarHBondContact OD1-CE 3.48Å; D811-K814 IonicContact OD1-NZ 3.9Å; D811-K814 PolarHBondContact OD1-NZ 2.9Å; E812-K814 VanDerWaalsContact C-N 3.33Å; K814-E816 PolarHBondContact O-N 2.85Å |
| 815 | P | 56.9 | Low | 79.7 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 60% | 0.597 | 30% | 0.295 | S | S | * | . | trans | -77.5 | 78.8 | -175.9 | 31.8 | -36.3 | 0 | 0 | 0 | 112.6 | ||||
| 816 | E | 66.2 | Low | 79.9 | Confident | 117 Ų | 117 | 58.6 Ų | 58.6 | 55% | 0.547 | 28% | 0.282 | S | S | . | . | trans | -87.3 | 105.5 | 159.5 | -75.7 | -152.2 | 125.1 | 0 | 0 | 110.2 | K805 K814 | K805-E816 WeakPolarHBondContact CD-OE2 3.21Å; K805-E816 IonicContact NZ-OE1 3.66Å; K805-E816 PolarHBondContact NZ-OE1 2.89Å; K805-E816 IonicContact NZ-OE2 3.05Å; K814-E816 PolarHBondContact O-N 2.85Å | ||
| 817 | W | 75.1 | Confident | 80.4 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | trans | -93.9 | -17.5 | 179.2 | 59.5 | -99.3 | 0 | 0 | 0 | 114.3 | F1192 F1202 R1205 | W817-F1192 AromaticContact CH2-CE1 3.43Å; W817-F1192 HydrophobicContact CH2-CE1 3.43Å; W817-F1192 VanDerWaalsContact CH2-CE1 3.43Å; W817-F1192 AromaticContact CH2-CZ 3.66Å; W817-F1192 HydrophobicContact CH2-CZ 3.66Å; W817-F1192 AromaticContact CZ2-CE1 3.89Å; W817-F1192 HydrophobicContact CZ2-CE1 3.89Å; W817-F1192 AromaticContact CZ3-CE1 3.84Å; W817-F1192 HydrophobicContact CZ3-CE1 3.84Å; W817-F1192 AromaticContact CZ3-CZ 3.7Å; W817-F1192 HydrophobicContact CZ3-CZ 3.7Å; W817-F1202 HydrophobicContact CB-CD1 3.38Å; W817-F1202 HydrophobicContact CB-CE1 3.53Å; W817-F1202 HydrophobicContact CB-CG 3.97Å; W817-F1202 HydrophobicContact CB-CZ 4.23Å; W817-F1202 HydrophobicContact CD2-CB 3.72Å; W817-F1202 HydrophobicContact CD2-CD1 4.05Å; W817-F1202 HydrophobicContact CD2-CD2 4.01Å; W817-F1202 AromaticContact CD2-CG 3.65Å; W817-F1202 HydrophobicContact CD2-CG 3.65Å; W817-F1202 HydrophobicContact CE3-CB 4.32Å; W817-F1202 AromaticContact CE3-CD2 3.82Å; W817-F1202 HydrophobicContact CE3-CD2 3.82Å; W817-F1202 HydrophobicContact CE3-CE2 4.23Å; W817-F1202 AromaticContact CE3-CG 3.97Å; W817-F1202 HydrophobicContact CE3-CG 3.97Å; W817-F1202 HydrophobicContact CG-CB 3.85Å; W817-F1202 AromaticContact CG-CD1 3.56Å; W817-F1202 HydrophobicContact CG-CD1 3.56Å; W817-F1202 HydrophobicContact CG-CD2 4.4Å; W817-F1202 HydrophobicContact CG-CE1 4.18Å; W817-F1202 AromaticContact CG-CG 3.68Å; W817-F1202 HydrophobicContact CG-CG 3.68Å; W817-F1202 HydrophobicContact CZ2-CB 4.17Å; W817-F1202 HydrophobicContact CZ3-CD2 4.24Å; W817-R1205 VanDerWaalsContact O-CZ 3.3Å; W817-R1205 PolarHBondContact O-NE 2.84Å; W817-R1205 PolarHBondContact O-NH2 3.38Å; W817-R1205 VanDerWaalsContact O-NH2 3.12Å | ||
| 818 | K | 82.5 | Confident | 81 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | trans | -75.2 | 129 | -173 | -67 | -163.6 | 176.4 | -149 | 0 | 112.1 | E571 | E571-K818 IonicContact OE1-NZ 2.76Å; E571-K818 PolarHBondContact OE1-NZ 2.99Å | ||
| 819 | I | 87.8 | Confident | 81.7 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | trans | -77.6 | 127.6 | 166.3 | -63.1 | 171.9 | 0 | 0 | 0 | 108.1 | N802 A821 M1188 R1205 | N802-I819 HydrophobicContact CB-CD1 4.25Å; N802-I819 HydrophobicContact CB-CG2 4.16Å; I819-A821 VanDerWaalsContact CG2-O 3.24Å; I819-A821 WeakPolarHBondContact CG2-O 3.47Å; I819-M1188 HydrophobicContact CD1-CE 4Å; I819-R1205 VanDerWaalsContact CD1-NH1 3.3Å | ||
| 820 | P | 90.6 | Very high | 82.8 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 13% | 0.13 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -69.9 | -36.7 | 178.2 | -22.4 | 35.5 | 0 | 0 | 0 | 114.1 | M765 A773 L803 K805 | M765-P820 HydrophobicContact SD-CB 4.13Å; A773-P820 HydrophobicContact CB-CB 3.63Å; A773-P820 HydrophobicContact CB-CG 3.76Å; L803-P820 VanDerWaalsContact O-CD 3.24Å; L803-P820 WeakPolarHBondContact O-CD 3.23Å; K805-P820 HydrophobicContact CG-CG 3.97Å |
| 821 | A | 93.1 | Very high | 84 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -162.6 | 152.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I570 M765 L803 I819 L823 | I570-A821 HydrophobicContact CG1-CB 3.98Å; M765-A821 HydrophobicContact CE-CB 4Å; M765-A821 HydrophobicContact SD-CB 3.83Å; L803-A821 HydrophobicContact CD1-CB 4.09Å; L803-A821 HydrophobicContact CG-CB 4.45Å; L803-A821 PolarHBondContact N-O 3.3Å; I819-A821 VanDerWaalsContact CG2-O 3.24Å; I819-A821 WeakPolarHBondContact CG2-O 3.47Å; A821-L823 HydrophobicContact CB-CD2 4.29Å | ||
| 822 | Q | 95.2 | Very high | 84.9 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.3 | 167.6 | 176.5 | 173.3 | 94.3 | 0 | 0 | 109.3 | A567 T568 M569 T800 N802 M1188 | A567-Q822 WeakPolarHBondContact CA-O 3.18Å; T568-Q822 PolarHBondContact N-O 3.37Å; T568-Q822 PolarHBondContact O-N 2.69Å; T568-Q822 PolarHBondContact OG1-O 2.95Å; M569-Q822 HydrophobicContact CB-CB 4.01Å; M569-Q822 HydrophobicContact CG-CB 4.07Å; T800-Q822 HydrophobicContact CG2-CG 3.59Å; N802-Q822 WeakPolarHBondContact OD1-CG 3.13Å; N802-Q822 PolarHBondContact OD1-NE2 3.14Å; Q822-M1188 PolarHBondContact NE2-SD 3.35Å |
| 823 | L | 96.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.5 | -179.1 | -48.3 | -176.2 | 0 | 0 | 0 | 109.7 | F564 S566 A567 F580 I763 T800 I801 L803 A821 V825 | F564-L823 HydrophobicContact CE1-CD1 4.23Å; S566-L823 WeakPolarHBondContact O-CA 3.32Å; A567-L823 HydrophobicContact CB-CD2 3.68Å; F580-L823 HydrophobicContact CD1-CD1 3.94Å; F580-L823 HydrophobicContact CD1-CD2 4.24Å; F580-L823 HydrophobicContact CD2-CD2 4.35Å; F580-L823 HydrophobicContact CE1-CD1 4.05Å; F580-L823 HydrophobicContact CE1-CD2 3.6Å; F580-L823 HydrophobicContact CE1-CG 4.41Å; F580-L823 HydrophobicContact CE2-CD2 3.71Å; F580-L823 HydrophobicContact CG-CD1 4.32Å; F580-L823 HydrophobicContact CZ-CD1 4.5Å; F580-L823 HydrophobicContact CZ-CD2 3.31Å; I763-L823 HydrophobicContact CG2-CD1 3.85Å; T800-L823 CarbonylContact C-O 3.48Å; T800-L823 WeakPolarHBondContact CA-O 3.39Å; I801-L823 PolarHBondContact N-O 3.32Å; I801-L823 PolarHBondContact O-N 2.76Å; L803-L823 HydrophobicContact CD1-CD1 4.21Å; L803-L823 HydrophobicContact CD1-CG 4.49Å; L803-L823 HydrophobicContact CD2-CD1 3.93Å; L803-L823 HydrophobicContact CD2-CG 4.36Å; L803-L823 HydrophobicContact CG-CD1 4.28Å; L803-L823 HydrophobicContact CG-CG 4.34Å; A821-L823 HydrophobicContact CB-CD2 4.29Å; L823-V825 HydrophobicContact CB-CG1 4.14Å |
| 824 | R | 94.9 | Very high | 87.5 | Confident | 14 Ų | 14 | 35.9 Ų | 35.9 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.1 | 163.8 | -168.1 | 170.1 | 165.2 | 79.4 | -1.6 | 107.7 | L565 S566 Q799 D1183 | L565-R824 HydrophobicContact CB-CB 4.43Å; L565-R824 HydrophobicContact CB-CG 4.45Å; L565-R824 WeakPolarHBondContact CB-O 3.37Å; L565-R824 HydrophobicContact CD1-CG 4.31Å; L565-R824 PolarHBondContact N-O 3.41Å; S566-R824 PolarHBondContact N-O 3.02Å; S566-R824 PolarHBondContact O-N 3.48Å; S566-R824 WeakPolarHBondContact OG-CB 3.37Å; Q799-R824 WeakPolarHBondContact O-CA 3.4Å; R824-D1183 IonicContact CZ-OD2 3.67Å; R824-D1183 VanDerWaalsContact CZ-OD2 3.24Å; R824-D1183 IonicContact NH1-OD2 2.71Å; R824-D1183 PolarHBondContact NH1-OD2 3.35Å; R824-D1183 PolarHBondContact NH2-O 2.98Å; R824-D1183 IonicContact NH2-OD2 2.69Å; R824-D1183 PolarHBondContact NH2-OD2 2.97Å |
| 825 | V | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153 | -171.2 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | V562 A563 F564 A798 Q799 I801 L823 V827 | V562-V825 HydrophobicContact CG1-CB 4.1Å; V562-V825 HydrophobicContact CG1-CG1 4.23Å; A563-V825 CarbonylContact O-C 3.39Å; A563-V825 VanDerWaalsContact O-CA 3.23Å; A563-V825 WeakPolarHBondContact O-CA 3.27Å; F564-V825 HydrophobicContact CD1-CG1 3.72Å; F564-V825 HydrophobicContact CE1-CG1 4.07Å; F564-V825 HydrophobicContact CG-CG1 4.18Å; A798-V825 CarbonylContact C-O 3.53Å; A798-V825 WeakPolarHBondContact CA-O 3.43Å; Q799-V825 HydrophobicContact CG-CG2 3.95Å; Q799-V825 PolarHBondContact N-O 2.79Å; Q799-V825 PolarHBondContact O-N 2.85Å; I801-V825 HydrophobicContact CD1-CG2 3.64Å; I801-V825 HydrophobicContact CG1-CG2 4.22Å; L823-V825 HydrophobicContact CB-CG1 4.14Å; V825-V827 HydrophobicContact CB-CG2 4.34Å; V825-V827 HydrophobicContact CG2-CG2 3.82Å |
| 826 | V | 93.9 | Very high | 89.8 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 6% | 0.055 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.7 | 162.4 | -171.2 | 0 | 0 | 0 | 0 | 106.8 | V562 A563 L565 G796 A798 W838 | V562-V826 CarbonylContact C-O 3.54Å; V562-V826 VanDerWaalsContact CA-O 3.3Å; V562-V826 WeakPolarHBondContact CA-O 3.33Å; A563-V826 HydrophobicContact CB-CB 4.34Å; A563-V826 PolarHBondContact N-O 3.47Å; A563-V826 PolarHBondContact O-N 3.06Å; L565-V826 HydrophobicContact CD1-CG2 3.86Å; L565-V826 HydrophobicContact CD2-CG2 4.38Å; L565-V826 HydrophobicContact CG-CG2 4.23Å; G796-V826 VanDerWaalsContact C-CG1 3.45Å; G796-V826 VanDerWaalsContact O-CG1 3.3Å; G796-V826 WeakPolarHBondContact O-CG1 3.48Å; A798-V826 HydrophobicContact CB-CG2 4.35Å; V826-W838 HydrophobicContact CB-CH2 4.38Å; V826-W838 HydrophobicContact CB-CZ3 4.5Å; V826-W838 HydrophobicContact CG1-CH2 4.25Å; V826-W838 HydrophobicContact CG1-CZ3 3.91Å |
| 827 | V | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.1 | -176.1 | -177 | 0 | 0 | 0 | 0 | 109.3 | L560 V562 I761 I777 V782 G796 V825 | L560-V827 HydrophobicContact CD1-CG1 4.01Å; V562-V827 HydrophobicContact CG1-CG2 4.07Å; V562-V827 HydrophobicContact CG2-CG1 4.16Å; V562-V827 HydrophobicContact CG2-CG2 4.25Å; I761-V827 HydrophobicContact CD1-CG1 4.43Å; I777-V827 HydrophobicContact CD1-CG2 4.29Å; V782-V827 HydrophobicContact CB-CB 4.24Å; V782-V827 HydrophobicContact CB-CG1 3.75Å; V782-V827 HydrophobicContact CG1-CB 3.84Å; V782-V827 HydrophobicContact CG1-CG1 3.74Å; V782-V827 HydrophobicContact CG2-CG1 3.75Å; G796-V827 PolarHBondContact N-O 3.02Å; V825-V827 HydrophobicContact CB-CG2 4.34Å; V825-V827 HydrophobicContact CG2-CG2 3.82Å |
| 828 | W | 95.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 129.3 | 175.9 | -178 | 102.8 | 0 | 0 | 0 | 109.2 | Q559 L560 Y561 Y784 G830 D834 W838 | Q559-W828 HydrophobicContact CB-CZ3 4.39Å; Q559-W828 WeakPolarHBondContact O-CZ3 3.48Å; L560-W828 WeakPolarHBondContact CA-O 3.38Å; Y561-W828 AromaticContact CD2-CE3 3.78Å; Y561-W828 HydrophobicContact CD2-CE3 3.78Å; Y561-W828 HydrophobicContact CD2-CZ3 4.08Å; Y561-W828 HydrophobicContact CE2-CE3 4.48Å; Y561-W828 HydrophobicContact CE2-CZ3 4.35Å; Y561-W828 PolarHBondContact N-O 3.11Å; Y561-W828 PolarHBondContact O-N 3.06Å; Y784-W828 AromaticContact CD1-CZ2 3.93Å; Y784-W828 HydrophobicContact CD1-CZ2 3.93Å; Y784-W828 HydrophobicContact CD2-CZ2 4.31Å; Y784-W828 AromaticContact CD2-NE1 3.28Å; Y784-W828 VanDerWaalsContact CD2-NE1 3.28Å; Y784-W828 AromaticContact CG-CE2 3.72Å; Y784-W828 AromaticContact CG-CZ2 3.68Å; Y784-W828 HydrophobicContact CG-CZ2 3.68Å; Y784-W828 AromaticContact CG-NE1 3.43Å; W828-G830 VanDerWaalsContact CZ3-N 3.35Å; W828-D834 HydrophobicContact CH2-CB 4.5Å; W828-D834 HydrophobicContact CZ2-CB 4.36Å; W828-D834 WeakPolarHBondContact CZ2-O 3.42Å; W828-W838 HydrophobicContact CB-CD2 4.33Å; W828-W838 HydrophobicContact CB-CE3 3.34Å; W828-W838 HydrophobicContact CB-CZ3 3.7Å; W828-W838 HydrophobicContact CD2-CB 4.06Å; W828-W838 HydrophobicContact CE3-CB 4.45Å; W828-W838 HydrophobicContact CG-CB 4.28Å; W828-W838 AromaticContact CG-CE3 3.83Å; W828-W838 HydrophobicContact CG-CE3 3.83Å |
| 829 | F | 97 | Very high | 91 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 121.5 | 176.9 | 176.3 | -117.4 | 0 | 0 | 0 | 109.4 | Y558 L560 I584 W632 I758 I761 A779 V782 L783 Y784 | Y558-F829 AromaticContact CD1-CE1 3.96Å; Y558-F829 HydrophobicContact CD1-CE1 3.96Å; Y558-F829 AromaticContact CD1-CE2 3.94Å; Y558-F829 HydrophobicContact CD1-CE2 3.94Å; Y558-F829 AromaticContact CD1-CZ 3.58Å; Y558-F829 HydrophobicContact CD1-CZ 3.58Å; Y558-F829 HydrophobicContact CE1-CE1 4.3Å; Y558-F829 HydrophobicContact CE1-CZ 4.27Å; Y558-F829 HydrophobicContact CG-CE2 4.05Å; Y558-F829 AromaticContact CG-CZ 3.85Å; Y558-F829 HydrophobicContact CG-CZ 3.85Å; L560-F829 HydrophobicContact CB-CD2 4.05Å; L560-F829 HydrophobicContact CD1-CB 4.18Å; I584-F829 HydrophobicContact CD1-CD2 4.31Å; I584-F829 HydrophobicContact CD1-CE1 4.38Å; I584-F829 HydrophobicContact CD1-CE2 3.66Å; I584-F829 HydrophobicContact CD1-CZ 3.7Å; W632-F829 AromaticContact CD1-CZ 3.88Å; I758-F829 HydrophobicContact CD1-CE1 4.23Å; I758-F829 HydrophobicContact CG2-CE1 3.94Å; I758-F829 HydrophobicContact CG2-CZ 3.91Å; I761-F829 HydrophobicContact CD1-CB 4.24Å; I761-F829 HydrophobicContact CD1-CG 4.45Å; A779-F829 HydrophobicContact CB-CD1 4.2Å; A779-F829 HydrophobicContact CB-CE1 4.06Å; V782-F829 HydrophobicContact CG2-CB 4.17Å; V782-F829 PolarHBondContact O-N 2.98Å; L783-F829 CarbonylContact C-O 3.56Å; L783-F829 WeakPolarHBondContact CA-O 2.94Å; L783-F829 HydrophobicContact CD1-CD1 3.7Å; L783-F829 HydrophobicContact CD1-CE1 3.96Å; Y784-F829 PolarHBondContact N-O 2.87Å |
| 830 | G | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y558 Q559 W828 | Y558-G830 CarbonylContact C-O 3.35Å; Y558-G830 WeakPolarHBondContact CA-O 3.12Å; Y558-G830 WeakPolarHBondContact CD1-O 3.33Å; Q559-G830 PolarHBondContact N-O 2.67Å; Q559-G830 PolarHBondContact O-N 2.82Å; Q559-G830 VanDerWaalsContact O-N 3.08Å; W828-G830 VanDerWaalsContact CZ3-N 3.35Å |
| 831 | L | 93.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 148 | 177.1 | -67.4 | 166.7 | 0 | 0 | 0 | 110.5 | R556 Y558 K833 D834 | R556-L831 HydrophobicContact CB-CD2 3.65Å; R556-L831 HydrophobicContact CG-CD2 4.4Å; Y558-L831 HydrophobicContact CD1-CD2 4.11Å; Y558-L831 HydrophobicContact CD1-CG 4.39Å; Y558-L831 HydrophobicContact CD2-CD2 3.97Å; Y558-L831 HydrophobicContact CE1-CD2 3.7Å; Y558-L831 HydrophobicContact CE1-CG 3.93Å; Y558-L831 HydrophobicContact CE2-CD2 3.56Å; Y558-L831 HydrophobicContact CG-CD2 4.23Å; Y558-L831 VanDerWaalsContact CZ-CD2 3.4Å; L831-K833 HydrophobicContact CB-CG 3.81Å; L831-K833 VanDerWaalsContact CD1-CE 3.46Å; L831-K833 PolarHBondContact O-N 2.8Å; L831-K833 VanDerWaalsContact O-N 3.09Å; L831-D834 WeakPolarHBondContact CB-OD2 3.41Å; L831-D834 PolarHBondContact O-N 2.99Å |
| 832 | E | 89.3 | Confident | 89.1 | Confident | 37 Ų | 37 | 33 Ų | 33 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -54.6 | -32.3 | 179.2 | -175.4 | -171.1 | -149.4 | 0 | 0 | 112.5 | K557 Q559 D834 R835 S1075 | K557-E832 HydrophobicContact CB-CB 3.98Å; K557-E832 WeakPolarHBondContact CD-OE2 3.46Å; K557-E832 IonicContact NZ-OE1 3.93Å; K557-E832 PolarHBondContact NZ-OE1 2.84Å; K557-E832 IonicContact NZ-OE2 2.67Å; K557-E832 PolarHBondContact NZ-OE2 3.21Å; K557-E832 PolarHBondContact O-N 3.37Å; Q559-E832 HydrophobicContact CG-CB 4.38Å; Q559-E832 HydrophobicContact CG-CG 4.49Å; E832-D834 PolarHBondContact O-N 3.29Å; E832-R835 WeakPolarHBondContact O-CB 3.33Å; E832-R835 WeakPolarHBondContact O-CD 3.33Å; E832-R835 VanDerWaalsContact O-CG 3.27Å; E832-R835 WeakPolarHBondContact O-CG 3.36Å; E832-R835 PolarHBondContact O-N 3.04Å; E832-S1075 VanDerWaalsContact OE1-CA 3.3Å; E832-S1075 WeakPolarHBondContact OE1-CA 2.82Å; E832-S1075 WeakPolarHBondContact OE1-CB 3.34Å; E832-S1075 PolarHBondContact OE1-OG 2.83Å |
| 833 | K | 87.6 | Confident | 87.8 | Confident | 124 Ų | 124 | 38.2 Ų | 38.2 | 54% | 0.539 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -63.3 | -28.1 | 176.6 | 53.9 | 145.3 | -169.4 | 152.8 | 0 | 113.6 | L831 | L831-K833 HydrophobicContact CB-CG 3.81Å; L831-K833 VanDerWaalsContact CD1-CE 3.46Å; L831-K833 PolarHBondContact O-N 2.8Å; L831-K833 VanDerWaalsContact O-N 3.09Å |
| 834 | D | 90.4 | Very high | 86.7 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -97.8 | 7.1 | -172.3 | -48.6 | -35 | 0 | 0 | 0 | 112 | Y784 W828 L831 E832 T836 A837 | Y784-D834 HydrophobicContact CD1-CB 3.73Å; Y784-D834 HydrophobicContact CE1-CB 3.7Å; W828-D834 HydrophobicContact CH2-CB 4.5Å; W828-D834 HydrophobicContact CZ2-CB 4.36Å; W828-D834 WeakPolarHBondContact CZ2-O 3.42Å; L831-D834 WeakPolarHBondContact CB-OD2 3.41Å; L831-D834 PolarHBondContact O-N 2.99Å; E832-D834 PolarHBondContact O-N 3.29Å; D834-T836 PolarHBondContact O-N 3.23Å; D834-A837 WeakPolarHBondContact O-CB 3.36Å; D834-A837 PolarHBondContact O-N 2.81Å |
| 835 | R | 85.1 | Confident | 86 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.2 | -20.1 | -179.5 | 71.9 | -175.5 | -170.2 | 169.7 | 6.1 | 115 | E832 A837 W838 T839 T1074 | E832-R835 WeakPolarHBondContact O-CB 3.33Å; E832-R835 WeakPolarHBondContact O-CD 3.33Å; E832-R835 VanDerWaalsContact O-CG 3.27Å; E832-R835 WeakPolarHBondContact O-CG 3.36Å; E832-R835 PolarHBondContact O-N 3.04Å; R835-A837 VanDerWaalsContact C-N 3.3Å; R835-W838 PolarHBondContact O-N 2.9Å; R835-T839 PolarHBondContact O-N 2.91Å; R835-T839 PolarHBondContact O-OG1 2.9Å; R835-T839 VanDerWaalsContact O-OG1 3.13Å; R835-T1074 PolarHBondContact NH1-O 3.01Å |
| 836 | T | 84 | Confident | 85.4 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -34.9 | 174.5 | 48 | 0 | 0 | 0 | 0 | 111.3 | D834 W838 T839 E840 | D834-T836 PolarHBondContact O-N 3.23Å; T836-W838 VanDerWaalsContact C-N 3.33Å; T836-W838 PolarHBondContact O-N 3.21Å; T836-T839 CarbonylContact O-C 3.59Å; T836-T839 WeakPolarHBondContact O-CA 3.43Å; T836-T839 WeakPolarHBondContact O-CB 3Å; T836-T839 PolarHBondContact O-N 3.26Å; T836-E840 WeakPolarHBondContact O-CB 2.8Å; T836-E840 WeakPolarHBondContact O-CG 3.22Å; T836-E840 PolarHBondContact O-N 3.08Å |
| 837 | A | 87 | Confident | 84.9 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y784 D834 R835 T839 S841 | Y784-A837 HydrophobicContact CD2-CB 4.14Å; Y784-A837 HydrophobicContact CE1-CB 4.09Å; Y784-A837 HydrophobicContact CE2-CB 3.47Å; Y784-A837 VanDerWaalsContact CE2-CB 3.47Å; Y784-A837 VanDerWaalsContact CZ-CB 3.45Å; D834-A837 WeakPolarHBondContact O-CB 3.36Å; D834-A837 PolarHBondContact O-N 2.81Å; R835-A837 VanDerWaalsContact C-N 3.3Å; A837-T839 VanDerWaalsContact C-N 3.34Å; A837-S841 WeakPolarHBondContact O-CB 3.14Å; A837-S841 PolarHBondContact O-N 3.5Å; A837-S841 VanDerWaalsContact O-N 3.09Å; A837-S841 PolarHBondContact O-OG 2.66Å |
| 838 | W | 85.5 | Confident | 84.4 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.011 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 170 | 170 | -101.9 | 0 | 0 | 0 | 112.2 | Y561 A563 V826 W828 R835 T836 S841 H842 M1107 | Y561-W838 AromaticContact CD1-CD1 3.85Å; Y561-W838 HydrophobicContact CD1-CG 4.42Å; Y561-W838 AromaticContact CD1-NE1 3.56Å; Y561-W838 HydrophobicContact CD2-CB 4.31Å; Y561-W838 AromaticContact CD2-CD1 3.98Å; Y561-W838 HydrophobicContact CD2-CD2 4.3Å; Y561-W838 AromaticContact CD2-CG 3.92Å; Y561-W838 HydrophobicContact CD2-CG 3.92Å; Y561-W838 HydrophobicContact CE2-CG 4.42Å; Y561-W838 AromaticContact CG-CD1 3.8Å; Y561-W838 AromaticContact CG-CD2 3.93Å; Y561-W838 HydrophobicContact CG-CD2 3.93Å; Y561-W838 AromaticContact CG-CE2 3.83Å; Y561-W838 AromaticContact CG-CG 3.92Å; Y561-W838 HydrophobicContact CG-CG 3.92Å; Y561-W838 HydrophobicContact CG-CZ2 4.46Å; Y561-W838 AromaticContact CG-NE1 3.73Å; A563-W838 HydrophobicContact CB-CH2 3.97Å; A563-W838 HydrophobicContact CB-CZ2 4.26Å; V826-W838 HydrophobicContact CB-CH2 4.38Å; V826-W838 HydrophobicContact CB-CZ3 4.5Å; V826-W838 HydrophobicContact CG1-CH2 4.25Å; V826-W838 HydrophobicContact CG1-CZ3 3.91Å; W828-W838 HydrophobicContact CB-CD2 4.33Å; W828-W838 HydrophobicContact CB-CE3 3.34Å; W828-W838 HydrophobicContact CB-CZ3 3.7Å; W828-W838 HydrophobicContact CD2-CB 4.06Å; W828-W838 HydrophobicContact CE3-CB 4.45Å; W828-W838 HydrophobicContact CG-CB 4.28Å; W828-W838 AromaticContact CG-CE3 3.83Å; W828-W838 HydrophobicContact CG-CE3 3.83Å; R835-W838 PolarHBondContact O-N 2.9Å; T836-W838 VanDerWaalsContact C-N 3.33Å; T836-W838 PolarHBondContact O-N 3.21Å; W838-S841 WeakPolarHBondContact CA-OG 3.39Å; W838-S841 PolarHBondContact O-OG 2.91Å; W838-H842 AromaticContact CD2-CE1 3.98Å; W838-H842 AromaticContact CD2-ND1 3.97Å; W838-H842 AromaticContact CE3-CE1 3.45Å; W838-H842 VanDerWaalsContact CE3-CE1 3.45Å; W838-H842 AromaticContact CE3-ND1 3.88Å; W838-H842 AromaticContact CH2-CE1 3.54Å; W838-H842 AromaticContact CH2-NE2 3.83Å; W838-H842 AromaticContact CZ3-CE1 3.24Å; W838-H842 WeakPolarHBondContact CZ3-CE1 3.36Å; W838-H842 AromaticContact CZ3-NE2 3.88Å; W838-H842 PolarHBondContact O-ND1 3.17Å; W838-M1107 HydrophobicContact CZ2-CE 4.23Å; W838-M1107 HydrophobicContact CZ2-SD 4.43Å |
| 839 | T | 77.8 | Confident | 84 | Confident | 91 Ų | 91 | 52.8 Ų | 52.8 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -72.7 | -39.5 | -176.7 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | R835 T836 A837 | R835-T839 PolarHBondContact O-N 2.91Å; R835-T839 PolarHBondContact O-OG1 2.9Å; R835-T839 VanDerWaalsContact O-OG1 3.13Å; T836-T839 CarbonylContact O-C 3.59Å; T836-T839 WeakPolarHBondContact O-CA 3.43Å; T836-T839 WeakPolarHBondContact O-CB 3Å; T836-T839 PolarHBondContact O-N 3.26Å; A837-T839 VanDerWaalsContact C-N 3.34Å |
| 840 | E | 79.2 | Confident | 83.7 | Confident | 126 Ų | 126 | 52.9 Ų | 52.9 | 59% | 0.589 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -77.8 | -25.8 | -178.6 | -70.5 | 170.6 | -168.7 | 0 | 0 | 113.2 | T836 H842 N843 | T836-E840 WeakPolarHBondContact O-CB 2.8Å; T836-E840 WeakPolarHBondContact O-CG 3.22Å; T836-E840 PolarHBondContact O-N 3.08Å; E840-H842 PolarHBondContact O-N 3.12Å; E840-N843 PolarHBondContact O-ND2 3.01Å |
| 841 | S | 75.9 | Confident | 83.6 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -14.4 | 173.7 | 43.8 | 0 | 0 | 0 | 0 | 113.7 | A837 W838 | A837-S841 WeakPolarHBondContact O-CB 3.14Å; A837-S841 PolarHBondContact O-N 3.5Å; A837-S841 VanDerWaalsContact O-N 3.09Å; A837-S841 PolarHBondContact O-OG 2.66Å; W838-S841 WeakPolarHBondContact CA-OG 3.39Å; W838-S841 PolarHBondContact O-OG 2.91Å |
| 842 | H | 75 | Confident | 83.5 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 13% | 0.13 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 38.3 | -172.1 | -65.7 | 90.7 | 0 | 0 | 0 | 114.2 | W838 E840 E844 A845 M1107 | W838-H842 AromaticContact CD2-CE1 3.98Å; W838-H842 AromaticContact CD2-ND1 3.97Å; W838-H842 AromaticContact CE3-CE1 3.45Å; W838-H842 VanDerWaalsContact CE3-CE1 3.45Å; W838-H842 AromaticContact CE3-ND1 3.88Å; W838-H842 AromaticContact CH2-CE1 3.54Å; W838-H842 AromaticContact CH2-NE2 3.83Å; W838-H842 AromaticContact CZ3-CE1 3.24Å; W838-H842 WeakPolarHBondContact CZ3-CE1 3.36Å; W838-H842 AromaticContact CZ3-NE2 3.88Å; W838-H842 PolarHBondContact O-ND1 3.17Å; E840-H842 PolarHBondContact O-N 3.12Å; H842-E844 PolarHBondContact O-N 2.96Å; H842-A845 PolarHBondContact O-N 2.68Å; H842-M1107 HydrophobicContact CB-CE 3.81Å; H842-M1107 WeakPolarHBondContact CD2-CE 3.34Å |
| 843 | N | 69 | Low | 83.7 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 65% | 0.647 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -22.7 | -174.2 | -70.1 | -52.5 | 0 | 0 | 0 | 116.4 | E840 | E840-N843 PolarHBondContact O-ND2 3.01Š|
| 844 | E | 72.6 | Confident | 83.9 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -24.4 | -179.7 | -55.7 | -178 | 127 | 0 | 0 | 114 | H842 R1110 G1175 D1176 | H842-E844 PolarHBondContact O-N 2.96Å; E844-R1110 WeakPolarHBondContact O-CG 3.45Å; E844-R1110 PolarHBondContact O-N 2.87Å; E844-R1110 VanDerWaalsContact O-N 3.13Å; E844-G1175 WeakPolarHBondContact OE2-CA 3.46Å; E844-D1176 WeakPolarHBondContact OE1-CA 3.48Å; E844-D1176 VanDerWaalsContact OE1-CB 3.24Å; E844-D1176 WeakPolarHBondContact OE1-CB 3.47Å; E844-D1176 PolarHBondContact OE1-N 2.66Å; E844-D1176 WeakPolarHBondContact OE2-CB 3.26Å; E844-D1176 PolarHBondContact OE2-N 2.94Å |
| 845 | A | 80.9 | Confident | 84 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140.5 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | H842 M1107 R1108 F1109 | H842-A845 PolarHBondContact O-N 2.68Å; A845-M1107 HydrophobicContact CB-CB 4.45Å; A845-M1107 HydrophobicContact CB-CE 3.77Å; A845-M1107 HydrophobicContact CB-SD 4.09Å; A845-R1108 CarbonylContact C-O 3.57Å; A845-R1108 WeakPolarHBondContact CA-O 3.33Å; A845-F1109 HydrophobicContact CB-CD1 4.03Å; A845-F1109 HydrophobicContact CB-CD2 4.24Å; A845-F1109 HydrophobicContact CB-CE1 3.98Å; A845-F1109 HydrophobicContact CB-CE2 4.17Å; A845-F1109 HydrophobicContact CB-CG 4.16Å; A845-F1109 HydrophobicContact CB-CZ 4.05Å |
| 846 | K | 81.7 | Confident | 84.5 | Confident | 142 Ų | 142 | 43.5 Ų | 43.5 | 62% | 0.617 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.1 | 167.9 | -170 | 177.9 | 178.8 | -176.8 | 0 | 109 | Q848 R1108 | K846-Q848 PolarHBondContact O-N 3.35Å; K846-R1108 PolarHBondContact N-O 3.21Å; K846-R1108 PolarHBondContact O-N 3.03Å |
| 847 | L | 83.3 | Confident | 84.9 | Confident | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.335 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 118 | 170.3 | -166.4 | 147.4 | 0 | 0 | 0 | 109 | Y561 V849 I1105 F1106 | Y561-L847 HydrophobicContact CE1-CD1 4.43Å; L847-V849 HydrophobicContact CD2-CG2 3.6Å; L847-I1105 HydrophobicContact CD1-CG2 4.1Å; L847-I1105 HydrophobicContact CD2-CG2 3.63Å; L847-I1105 HydrophobicContact CG-CG2 3.67Å; L847-F1106 WeakPolarHBondContact CA-O 3.16Å |
| 848 | Q | 86.2 | Confident | 85.1 | Confident | 43 Ų | 43 | 40.4 Ų | 40.4 | 20% | 0.201 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.6 | -178.3 | -177.9 | 174.6 | -4.4 | 0 | 0 | 109.1 | K846 V850 I1105 F1106 | K846-Q848 PolarHBondContact O-N 3.35Å; Q848-V850 HydrophobicContact CG-CG1 4.03Å; Q848-I1105 WeakPolarHBondContact O-CA 3.47Å; Q848-F1106 PolarHBondContact N-O 2.78Å; Q848-F1106 PolarHBondContact O-N 3Å |
| 849 | V | 89 | Confident | 85.2 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.5 | 177.4 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | L847 W896 A1064 L1065 P1103 R1104 I1105 | L847-V849 HydrophobicContact CD2-CG2 3.6Å; V849-W896 HydrophobicContact CB-CH2 4.44Å; V849-W896 HydrophobicContact CB-CZ3 4.08Å; V849-W896 HydrophobicContact CG1-CZ3 4.3Å; V849-W896 HydrophobicContact CG2-CH2 3.96Å; V849-W896 HydrophobicContact CG2-CZ3 4.01Å; V849-A1064 WeakPolarHBondContact O-CA 3.36Å; V849-L1065 HydrophobicContact CB-CD2 4.48Å; V849-L1065 HydrophobicContact CB-CG 4.16Å; V849-L1065 HydrophobicContact CG1-CD1 4.1Å; V849-L1065 HydrophobicContact CG1-CD2 4.01Å; V849-L1065 HydrophobicContact CG1-CG 3.89Å; V849-L1065 WeakPolarHBondContact O-CD2 3.31Å; V849-L1065 PolarHBondContact O-N 2.92Å; V849-P1103 HydrophobicContact CG1-CB 3.53Å; V849-P1103 HydrophobicContact CG1-CG 3.6Å; V849-R1104 WeakPolarHBondContact CA-O 3.45Å; V849-I1105 HydrophobicContact CG1-CG1 4.45Å; V849-I1105 HydrophobicContact CG2-CG1 4.36Å; V849-I1105 HydrophobicContact CG2-CG2 4.42Å |
| 850 | V | 90.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.8 | 179.8 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | Q848 H1062 R1063 A1064 P1103 R1104 F1106 | Q848-V850 HydrophobicContact CG-CG1 4.03Å; V850-H1062 HydrophobicContact CB-CB 4.42Å; V850-R1063 CarbonylContact C-O 3.43Å; V850-R1063 VanDerWaalsContact CA-O 3.31Å; V850-R1063 WeakPolarHBondContact CA-O 3.29Å; V850-A1064 HydrophobicContact CG1-CB 4.29Å; V850-P1103 CarbonylContact O-C 3.49Å; V850-P1103 VanDerWaalsContact O-CA 3.31Å; V850-P1103 WeakPolarHBondContact O-CA 3.27Å; V850-P1103 VanDerWaalsContact O-CB 3.23Å; V850-P1103 WeakPolarHBondContact O-CB 3.22Å; V850-R1104 HydrophobicContact CG2-CB 3.83Å; V850-R1104 PolarHBondContact N-O 3.27Å; V850-R1104 PolarHBondContact O-N 2.85Å; V850-F1106 HydrophobicContact CG2-CD2 4.15Å; V850-F1106 HydrophobicContact CG2-CE2 3.83Å |
| 851 | A | 91.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 139.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | W898 W902 H1062 R1063 L1065 L1079 | A851-W898 HydrophobicContact CB-CH2 3.61Å; A851-W898 HydrophobicContact CB-CZ3 3.7Å; A851-W902 HydrophobicContact CB-CH2 3.86Å; A851-W902 HydrophobicContact CB-CZ3 4.46Å; A851-H1062 CarbonylContact O-C 3.54Å; A851-H1062 VanDerWaalsContact O-CA 3.3Å; A851-H1062 WeakPolarHBondContact O-CA 3.39Å; A851-R1063 PolarHBondContact N-O 2.76Å; A851-R1063 PolarHBondContact O-N 3.02Å; A851-L1065 HydrophobicContact CB-CD2 4.3Å; A851-L1079 HydrophobicContact CB-CD1 3.71Å |
| 852 | E | 92.1 | Very high | 85.2 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.6 | -176.7 | 175.9 | 169.8 | 91 | 0 | 0 | 110.3 | Y854 R1060 W1061 H1062 R1104 | E852-Y854 HydrophobicContact CG-CD2 4.42Å; E852-Y854 HydrophobicContact CG-CE2 3.69Å; E852-R1060 HydrophobicContact CG-CG 4.38Å; E852-R1060 WeakPolarHBondContact OE2-CD 3.23Å; E852-W1061 WeakPolarHBondContact CA-O 3.46Å; E852-H1062 IonicContact OE2-CD2 3.49Å; E852-H1062 IonicContact OE2-CE1 3.19Å; E852-H1062 IonicContact OE2-NE2 3.63Å; E852-H1062 PolarHBondContact OE2-NE2 3.3Å; E852-R1104 HydrophobicContact CB-CG 4.2Å; E852-R1104 IonicContact OE1-CZ 3.87Å; E852-R1104 IonicContact OE1-NE 2.81Å; E852-R1104 PolarHBondContact OE1-NE 3.13Å; E852-R1104 IonicContact OE1-NH2 2.86Å; E852-R1104 PolarHBondContact OE1-NH2 2.82Å |
| 853 | T | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.8 | 170 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | W876 S877 L885 K887 W902 W1061 | T853-W876 HydrophobicContact CG2-CE3 3.92Å; T853-W876 HydrophobicContact CG2-CZ3 4.09Å; T853-S877 CarbonylContact C-O 3.6Å; T853-S877 WeakPolarHBondContact CA-O 3.36Å; T853-S877 PolarHBondContact OG1-O 3.07Å; T853-L885 WeakPolarHBondContact CB-O 3.36Å; T853-L885 PolarHBondContact OG1-O 2.95Å; T853-K887 HydrophobicContact CG2-CD 4.47Å; T853-K887 HydrophobicContact CG2-CG 3.67Å; T853-W902 HydrophobicContact CG2-CE3 4.35Å; T853-W902 HydrophobicContact CG2-CH2 3.84Å; T853-W902 HydrophobicContact CG2-CZ3 3.72Å; T853-W1061 HydrophobicContact CG2-CB 4.06Å; T853-W1061 PolarHBondContact N-O 3.03Å; T853-W1061 PolarHBondContact O-N 2.85Å |
| 854 | Y | 92.2 | Very high | 86.5 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.5 | -178 | -67.3 | -104.6 | 0 | 0 | 0 | 110.2 | E852 W876 S877 N879 R1058 R1059 R1060 | E852-Y854 HydrophobicContact CG-CD2 4.42Å; E852-Y854 HydrophobicContact CG-CE2 3.69Å; Y854-W876 CarbonylContact O-C 3.52Å; Y854-W876 VanDerWaalsContact O-CA 3.26Å; Y854-W876 WeakPolarHBondContact O-CA 3.32Å; Y854-S877 PolarHBondContact N-O 2.93Å; Y854-S877 PolarHBondContact O-N 2.79Å; Y854-N879 HydrophobicContact CD2-CB 4.32Å; Y854-N879 HydrophobicContact CE2-CB 3.53Å; Y854-R1058 HydrophobicContact CD1-CG 4.27Å; Y854-R1059 CarbonylContact C-O 3.6Å; Y854-R1059 WeakPolarHBondContact CA-O 3.34Å; Y854-R1060 HydrophobicContact CD1-CB 3.95Å; Y854-R1060 HydrophobicContact CD1-CG 4.23Å; Y854-R1060 HydrophobicContact CE1-CB 3.63Å; Y854-R1060 HydrophobicContact CE1-CG 3.64Å; Y854-R1060 HydrophobicContact CE2-CG 4.14Å; Y854-R1060 VanDerWaalsContact CZ-CD 3.47Å; Y854-R1060 WeakPolarHBondContact OH-CD 3.28Å |
| 855 | E | 93.7 | Very high | 87.3 | Confident | 25 Ų | 25 | 41.2 Ų | 41.2 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 119.9 | 172.3 | -175.5 | -175.4 | 172.3 | 0 | 0 | 109.1 | W876 W1036 R1058 R1059 W1061 | E855-W876 HydrophobicContact CB-CD2 4.46Å; E855-W876 HydrophobicContact CB-CE3 4.09Å; E855-W876 HydrophobicContact CB-CH2 3.59Å; E855-W876 HydrophobicContact CB-CZ2 4.03Å; E855-W876 HydrophobicContact CB-CZ3 3.66Å; E855-W876 HydrophobicContact CG-CH2 3.74Å; E855-W876 HydrophobicContact CG-CZ2 3.69Å; E855-W876 HydrophobicContact CG-CZ3 4.27Å; E855-W1036 HydrophobicContact CB-CH2 4.49Å; E855-W1036 HydrophobicContact CG-CH2 3.94Å; E855-W1036 HydrophobicContact CG-CZ3 4.46Å; E855-R1058 CarbonylContact O-C 3.58Å; E855-R1058 WeakPolarHBondContact O-CA 3.33Å; E855-R1059 HydrophobicContact CB-CB 4.38Å; E855-R1059 PolarHBondContact N-O 3.46Å; E855-R1059 PolarHBondContact O-N 2.93Å; E855-R1059 IonicContact OE1-NH2 2.78Å; E855-R1059 PolarHBondContact OE1-NH2 3.27Å; E855-R1059 IonicContact OE2-CZ 3.23Å; E855-R1059 IonicContact OE2-NE 2.73Å; E855-R1059 PolarHBondContact OE2-NE 3.35Å; E855-R1059 IonicContact OE2-NH2 2.69Å; E855-R1059 PolarHBondContact OE2-NH2 2.83Å; E855-W1061 PolarHBondContact OE2-NE1 3.03Å |
| 856 | N | 94.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139 | -172.5 | -63 | -42.1 | 0 | 0 | 0 | 112.7 | L871 P874 S875 S877 F1042 R1058 | N856-L871 HydrophobicContact CB-CD1 4.26Å; N856-L871 HydrophobicContact CB-CD2 4.47Å; N856-P874 WeakPolarHBondContact CB-O 3.28Å; N856-P874 PolarHBondContact ND2-O 2.69Å; N856-S875 PolarHBondContact N-O 2.84Å; N856-S877 WeakPolarHBondContact ND2-CB 3.5Å; N856-S877 PolarHBondContact ND2-OG 3.37Å; N856-F1042 HydrophobicContact CB-CE1 4.11Å; N856-F1042 HydrophobicContact CB-CZ 3.94Å; N856-R1058 VanDerWaalsContact OD1-CB 3.23Å; N856-R1058 WeakPolarHBondContact OD1-CB 3.39Å |
| 857 | Q | 93.3 | Very high | 87.4 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.5 | 176.4 | -61 | -177 | -2.3 | 0 | 0 | 110.4 | W864 V865 T866 W1036 V1056 R1057 | Q857-W864 HydrophobicContact CB-CB 4.38Å; Q857-W864 HydrophobicContact CB-CE3 4.34Å; Q857-V865 WeakPolarHBondContact CA-O 3.21Å; Q857-T866 HydrophobicContact CG-CG2 3.74Å; Q857-W1036 VanDerWaalsContact CD-CH2 3.46Å; Q857-W1036 HydrophobicContact CG-CH2 3.99Å; Q857-W1036 HydrophobicContact CG-CZ3 4.22Å; Q857-W1036 VanDerWaalsContact NE2-CH2 3.32Å; Q857-V1056 WeakPolarHBondContact O-CA 3.41Å; Q857-R1057 HydrophobicContact CB-CG 3.94Å; Q857-R1057 PolarHBondContact N-O 2.91Å; Q857-R1057 PolarHBondContact O-N 3.24Å; Q857-R1057 VanDerWaalsContact O-O 3.09Å |
| 858 | A | 91.2 | Very high | 86.7 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 147.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V865 P870 L871 M1055 | A858-V865 PolarHBondContact N-O 2.77Å; A858-V865 VanDerWaalsContact O-CG2 3.31Å; A858-V865 WeakPolarHBondContact O-CG2 3.39Å; A858-V865 PolarHBondContact O-N 2.96Å; A858-P870 HydrophobicContact CB-CB 4.47Å; A858-P870 HydrophobicContact CB-CG 3.97Å; A858-L871 HydrophobicContact CB-CB 4.14Å; A858-L871 HydrophobicContact CB-CD1 3.77Å; A858-M1055 CarbonylContact C-O 3.55Å; A858-M1055 WeakPolarHBondContact CA-O 3.05Å |
| 859 | S | 86.9 | Confident | 85.6 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 129.1 | -178.8 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | M1055 | S859-M1055 PolarHBondContact N-O 2.71Å |
| 860 | I | 81.8 | Confident | 84.7 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 45% | 0.451 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.4 | 164.9 | -108.8 | -177.8 | 0 | 0 | 0 | 108 | G862 N863 P870 | I860-G862 PolarHBondContact O-N 2.78Å; I860-G862 VanDerWaalsContact O-N 3.16Å; I860-N863 PolarHBondContact N-O 3.16Å; I860-N863 PolarHBondContact O-N 2.87Å; I860-P870 HydrophobicContact CB-CG 4.26Å; I860-P870 HydrophobicContact CD1-CB 3.77Å; I860-P870 HydrophobicContact CD1-CG 3.59Å; I860-P870 HydrophobicContact CG1-CB 3.98Å; I860-P870 HydrophobicContact CG1-CG 3.73Å |
| 861 | V | 78 | Confident | 84.3 | Confident | 140 Ų | 140 | 53.8 Ų | 53.8 | 85% | 0.848 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 47.1 | 177.4 | -165.4 | 0 | 0 | 0 | 0 | 111.4 | N863 | V861-N863 VanDerWaalsContact C-N 3.25Å; V861-N863 PolarHBondContact O-N 2.81Å; V861-N863 PolarHBondContact O-ND2 2.91Å; V861-N863 VanDerWaalsContact O-ND2 3.08Å |
| 862 | G | 73.1 | Confident | 83.9 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 3.6 | -179 | 0 | 0 | 0 | 0 | 0 | 116.3 | I860 | I860-G862 PolarHBondContact O-N 2.78Å; I860-G862 VanDerWaalsContact O-N 3.16Å |
| 863 | N | 83.8 | Confident | 83.6 | Confident | 109 Ų | 109 | 59.4 Ų | 59.4 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.9 | 179.1 | -67.7 | -83.5 | 0 | 0 | 0 | 111.2 | I860 V861 | I860-N863 PolarHBondContact N-O 3.16Å; I860-N863 PolarHBondContact O-N 2.87Å; V861-N863 VanDerWaalsContact C-N 3.25Å; V861-N863 PolarHBondContact O-N 2.81Å; V861-N863 PolarHBondContact O-ND2 2.91Å; V861-N863 VanDerWaalsContact O-ND2 3.08Å |
| 864 | W | 88.5 | Confident | 83.4 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 16% | 0.163 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 121.9 | 178.5 | -65.5 | 105.4 | 0 | 0 | 0 | 111.7 | Q857 Y1038 E1050 D1054 V1056 R1057 | Q857-W864 HydrophobicContact CB-CB 4.38Å; Q857-W864 HydrophobicContact CB-CE3 4.34Å; W864-Y1038 AromaticContact CE2-CE1 3.99Å; W864-Y1038 HydrophobicContact CH2-CD1 4.01Å; W864-Y1038 HydrophobicContact CH2-CE1 4.44Å; W864-Y1038 AromaticContact CZ2-CD1 3.64Å; W864-Y1038 HydrophobicContact CZ2-CD1 3.64Å; W864-Y1038 AromaticContact CZ2-CE1 3.71Å; W864-Y1038 HydrophobicContact CZ2-CE1 3.71Å; W864-E1050 HydrophobicContact CZ2-CG 4.21Å; W864-E1050 WeakPolarHBondContact CZ2-OE1 3.34Å; W864-E1050 PolarHBondContact NE1-OE1 2.96Å; W864-D1054 HydrophobicContact CH2-CB 4.2Å; W864-V1056 VanDerWaalsContact CZ3-C 3.43Å; W864-R1057 VanDerWaalsContact CD1-CZ 3.48Å; W864-R1057 HydrophobicContact CD2-CG 3.92Å; W864-R1057 HydrophobicContact CE3-CB 4.28Å; W864-R1057 HydrophobicContact CE3-CG 3.61Å; W864-R1057 VanDerWaalsContact CG-CZ 3.45Å; W864-R1057 HydrophobicContact CH2-CB 4.11Å; W864-R1057 HydrophobicContact CH2-CG 4.29Å; W864-R1057 HydrophobicContact CZ3-CB 3.96Å; W864-R1057 HydrophobicContact CZ3-CG 3.81Å |
| 865 | V | 88.1 | Confident | 83.3 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.6 | -176 | -65 | 0 | 0 | 0 | 0 | 113 | Q857 A858 P870 | Q857-V865 WeakPolarHBondContact CA-O 3.21Å; A858-V865 PolarHBondContact N-O 2.77Å; A858-V865 VanDerWaalsContact O-CG2 3.31Å; A858-V865 WeakPolarHBondContact O-CG2 3.39Å; A858-V865 PolarHBondContact O-N 2.96Å; V865-P870 HydrophobicContact CG2-CG 3.63Å |
| 866 | T | 85.1 | Confident | 83.2 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | trans | -92 | -7.1 | 176.9 | 48.9 | 0 | 0 | 0 | 0 | 114 | Q857 L871 | Q857-T866 HydrophobicContact CG-CG2 3.74Å; T866-L871 WeakPolarHBondContact O-CD2 3.24Å | ||
| 867 | K | 80.2 | Confident | 83 | Confident | 162 Ų | 162 | 62.3 Ų | 62.3 | 70% | 0.704 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -85.1 | 145.6 | -174.6 | -66.7 | -177.7 | 179.7 | 177.9 | 0 | 111.6 | P869 P870 L871 | K867-P869 CarbonylContact O-C 3.55Å; K867-P869 VanDerWaalsContact O-C 3.3Å; K867-P870 WeakPolarHBondContact O-CD 3.41Å; K867-L871 WeakPolarHBondContact O-CB 3.5Å; K867-L871 PolarHBondContact O-N 2.78Å |
| 868 | R | 68.1 | Low | 82.6 | Confident | 146 Ų | 146 | 62.2 Ų | 62.2 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 141.2 | 169.1 | -56.2 | -153 | -177.7 | 163.2 | 3.4 | 111 | L871 R873 | R868-L871 VanDerWaalsContact CD-O 3.27Å; R868-L871 WeakPolarHBondContact CD-O 3.21Å; R868-L871 HydrophobicContact CG-CB 4.31Å; R868-L871 WeakPolarHBondContact CG-O 3.44Å; R868-R873 PolarHBondContact NE-O 2.79Å; R868-R873 PolarHBondContact NH2-O 3.26Å |
| 869 | P | 62.8 | Low | 82.1 | Confident | 121 Ų | 121 | 63.4 Ų | 63.4 | 79% | 0.786 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -61.6 | 160.8 | -31.1 | 30.4 | -34.2 | 0 | 0 | 0 | 110.3 | K867 | K867-P869 CarbonylContact O-C 3.55Å; K867-P869 VanDerWaalsContact O-C 3.3Å |
| 870 | P | 71.7 | Confident | 81.7 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 26% | 0.26 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.8 | -15.9 | 16.2 | 35.6 | -36.4 | 0 | 0 | 0 | 114.4 | A858 I860 V865 K867 T872 | A858-P870 HydrophobicContact CB-CB 4.47Å; A858-P870 HydrophobicContact CB-CG 3.97Å; I860-P870 HydrophobicContact CB-CG 4.26Å; I860-P870 HydrophobicContact CD1-CB 3.77Å; I860-P870 HydrophobicContact CD1-CG 3.59Å; I860-P870 HydrophobicContact CG1-CB 3.98Å; I860-P870 HydrophobicContact CG1-CG 3.73Å; V865-P870 HydrophobicContact CG2-CG 3.63Å; K867-P870 WeakPolarHBondContact O-CD 3.41Å; P870-T872 PolarHBondContact O-N 2.84Å; P870-T872 VanDerWaalsContact O-N 3.14Å |
| 871 | L | 82.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | trans | -61.9 | 119.3 | -173.8 | -173.3 | 70.7 | 0 | 0 | 0 | 110.3 | N856 A858 T866 K867 R868 R873 F1042 | N856-L871 HydrophobicContact CB-CD1 4.26Å; N856-L871 HydrophobicContact CB-CD2 4.47Å; A858-L871 HydrophobicContact CB-CB 4.14Å; A858-L871 HydrophobicContact CB-CD1 3.77Å; T866-L871 WeakPolarHBondContact O-CD2 3.24Å; K867-L871 WeakPolarHBondContact O-CB 3.5Å; K867-L871 PolarHBondContact O-N 2.78Å; R868-L871 VanDerWaalsContact CD-O 3.27Å; R868-L871 WeakPolarHBondContact CD-O 3.21Å; R868-L871 HydrophobicContact CG-CB 4.31Å; R868-L871 WeakPolarHBondContact CG-O 3.44Å; L871-R873 WeakPolarHBondContact CD2-O 3.4Å; L871-R873 VanDerWaalsContact CG-O 3.28Å; L871-R873 WeakPolarHBondContact CG-O 3.41Å; L871-F1042 HydrophobicContact CD1-CE2 3.85Å; L871-F1042 HydrophobicContact CD1-CZ 3.79Å | ||
| 872 | T | 82.2 | Confident | 81.7 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 58% | 0.577 | 33% | 0.331 | S | S | * | . | trans | -87.2 | -11.1 | -178.6 | 55 | 0 | 0 | 0 | 0 | 113.4 | P870 | P870-T872 PolarHBondContact O-N 2.84Å; P870-T872 VanDerWaalsContact O-N 3.14Å | ||
| 873 | R | 86.1 | Confident | 82.2 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 17% | 0.17 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -114.5 | 169 | -180 | -64.2 | -45.3 | -166.6 | -115.4 | -6.4 | 110.7 | R868 L871 G881 F1042 D1043 | R868-R873 PolarHBondContact NE-O 2.79Å; R868-R873 PolarHBondContact NH2-O 3.26Å; L871-R873 WeakPolarHBondContact CD2-O 3.4Å; L871-R873 VanDerWaalsContact CG-O 3.28Å; L871-R873 WeakPolarHBondContact CG-O 3.41Å; R873-G881 WeakPolarHBondContact CB-O 3.38Å; R873-G881 WeakPolarHBondContact CD-O 2.87Å; R873-G881 VanDerWaalsContact CG-O 3.27Å; R873-G881 WeakPolarHBondContact CG-O 3.42Å; R873-F1042 HydrophobicContact CB-CD2 4.14Å; R873-F1042 HydrophobicContact CB-CE1 4.32Å; R873-F1042 HydrophobicContact CB-CE2 3.89Å; R873-F1042 HydrophobicContact CB-CG 4.48Å; R873-F1042 HydrophobicContact CB-CZ 4.01Å; R873-F1042 HydrophobicContact CG-CB 4.16Å; R873-F1042 HydrophobicContact CG-CD1 3.91Å; R873-F1042 HydrophobicContact CG-CD2 3.35Å; R873-F1042 HydrophobicContact CG-CE1 4.17Å; R873-F1042 HydrophobicContact CG-CE2 3.63Å; R873-F1042 HydrophobicContact CG-CG 3.52Å; R873-F1042 HydrophobicContact CG-CZ 4.06Å; R873-D1043 VanDerWaalsContact NH2-CG 3.26Å; R873-D1043 IonicContact NH2-OD1 2.71Å; R873-D1043 PolarHBondContact NH2-OD1 3.17Å; R873-D1043 IonicContact NH2-OD2 2.85Å; R873-D1043 PolarHBondContact NH2-OD2 3.15Å |
| 874 | P | 88 | Confident | 82.3 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | trans | -65.9 | 153.2 | 173.1 | -17.2 | 31.9 | 0 | 0 | 0 | 110.7 | N856 W876 G881 E884 | N856-P874 WeakPolarHBondContact CB-O 3.28Å; N856-P874 PolarHBondContact ND2-O 2.69Å; P874-W876 WeakPolarHBondContact CB-O 3.44Å; P874-W876 PolarHBondContact O-N 2.96Å; P874-G881 WeakPolarHBondContact CD-O 3.49Å; P874-E884 HydrophobicContact CB-CB 3.72Å; P874-E884 HydrophobicContact CB-CG 3.86Å; P874-E884 HydrophobicContact CG-CB 3.84Å | ||
| 875 | S | 89.9 | Confident | 82.2 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -70.9 | -19.3 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | N856 | N856-S875 PolarHBondContact N-O 2.84Š|
| 876 | W | 91.3 | Very high | 82.1 | Confident | 51 Ų | 51 | 61.8 Ų | 61.8 | 19% | 0.193 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.8 | 168 | -70.5 | 89.7 | 0 | 0 | 0 | 108.5 | T853 Y854 E855 P874 E884 L885 P886 K887 W1061 | T853-W876 HydrophobicContact CG2-CE3 3.92Å; T853-W876 HydrophobicContact CG2-CZ3 4.09Å; Y854-W876 CarbonylContact O-C 3.52Å; Y854-W876 VanDerWaalsContact O-CA 3.26Å; Y854-W876 WeakPolarHBondContact O-CA 3.32Å; E855-W876 HydrophobicContact CB-CD2 4.46Å; E855-W876 HydrophobicContact CB-CE3 4.09Å; E855-W876 HydrophobicContact CB-CH2 3.59Å; E855-W876 HydrophobicContact CB-CZ2 4.03Å; E855-W876 HydrophobicContact CB-CZ3 3.66Å; E855-W876 HydrophobicContact CG-CH2 3.74Å; E855-W876 HydrophobicContact CG-CZ2 3.69Å; E855-W876 HydrophobicContact CG-CZ3 4.27Å; P874-W876 WeakPolarHBondContact CB-O 3.44Å; P874-W876 PolarHBondContact O-N 2.96Å; W876-E884 WeakPolarHBondContact O-CA 3.13Å; W876-L885 PolarHBondContact O-N 3.36Å; W876-P886 HydrophobicContact CB-CB 4.3Å; W876-P886 HydrophobicContact CB-CG 4.46Å; W876-K887 HydrophobicContact CE3-CD 4.3Å; W876-K887 HydrophobicContact CE3-CG 3.87Å; W876-K887 HydrophobicContact CH2-CD 3.74Å; W876-K887 HydrophobicContact CH2-CG 4.19Å; W876-K887 HydrophobicContact CZ3-CD 3.56Å; W876-K887 HydrophobicContact CZ3-CG 3.64Å; W876-W1061 AromaticContact CH2-CD1 3.8Å; W876-W1061 AromaticContact CH2-CE2 3.97Å; W876-W1061 HydrophobicContact CH2-CG 4.39Å; W876-W1061 AromaticContact CH2-NE1 3.48Å; W876-W1061 AromaticContact CZ3-CD1 3.44Å; W876-W1061 VanDerWaalsContact CZ3-CD1 3.44Å; W876-W1061 AromaticContact CZ3-CG 3.98Å; W876-W1061 HydrophobicContact CZ3-CG 3.98Å; W876-W1061 AromaticContact CZ3-NE1 3.65Å |
| 877 | S | 89.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 174.2 | -173.4 | 72.3 | 0 | 0 | 0 | 0 | 115.9 | T853 Y854 N856 G881 I883 | T853-S877 CarbonylContact C-O 3.6Å; T853-S877 WeakPolarHBondContact CA-O 3.36Å; T853-S877 PolarHBondContact OG1-O 3.07Å; Y854-S877 PolarHBondContact N-O 2.93Å; Y854-S877 PolarHBondContact O-N 2.79Å; N856-S877 WeakPolarHBondContact ND2-CB 3.5Å; N856-S877 PolarHBondContact ND2-OG 3.37Å; S877-G881 WeakPolarHBondContact OG-CA 3.36Å; S877-I883 CarbonylContact C-O 3.39Å; S877-I883 WeakPolarHBondContact CA-O 3.16Å; S877-I883 VanDerWaalsContact CB-O 3.27Å; S877-I883 WeakPolarHBondContact CB-O 3.45Å |
| 878 | D | 85 | Confident | 82.4 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | trans | -65.5 | -179.9 | 158.1 | 76.9 | -53.1 | 0 | 0 | 0 | 112.9 | T880 G881 R882 I883 L885 | D878-T880 VanDerWaalsContact C-N 3.33Å; D878-T880 VanDerWaalsContact CG-OG1 3.32Å; D878-T880 PolarHBondContact O-N 3.06Å; D878-T880 PolarHBondContact OD1-OG1 2.89Å; D878-T880 VanDerWaalsContact OD2-CB 3.23Å; D878-T880 WeakPolarHBondContact OD2-CB 2.72Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.26Å; D878-T880 PolarHBondContact OD2-N 2.93Å; D878-T880 PolarHBondContact OD2-OG1 2.87Å; D878-G881 PolarHBondContact O-N 2.98Å; D878-G881 VanDerWaalsContact O-N 3.16Å; D878-G881 PolarHBondContact OD1-N 2.87Å; D878-R882 PolarHBondContact OD1-N 2.87Å; D878-I883 HydrophobicContact CB-CB 4.15Å; D878-I883 PolarHBondContact N-O 2.91Å; D878-I883 VanDerWaalsContact N-O 3.11Å; D878-I883 PolarHBondContact OD1-N 2.92Å; D878-L885 HydrophobicContact CB-CD1 3.91Å | ||
| 879 | N | 80.9 | Confident | 83.2 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -25.5 | 179.7 | 69.3 | -29 | 0 | 0 | 0 | 114.5 | P604 Y854 G881 R1058 R1104 | P604-N879 WeakPolarHBondContact CD-ND2 3.25Å; P604-N879 WeakPolarHBondContact CG-ND2 3.48Å; Y854-N879 HydrophobicContact CD2-CB 4.32Å; Y854-N879 HydrophobicContact CE2-CB 3.53Å; N879-G881 VanDerWaalsContact C-N 3.26Å; N879-R1058 PolarHBondContact O-NH1 2.8Å; N879-R1104 PolarHBondContact ND2-NH2 2.98Å; N879-R1104 VanDerWaalsContact ND2-NH2 3.11Å |
| 880 | T | 79.1 | Confident | 84.3 | Confident | 67 Ų | 67 | 48.7 Ų | 48.7 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -11.1 | 174.8 | 75.3 | 0 | 0 | 0 | 0 | 113 | D878 R882 | D878-T880 VanDerWaalsContact C-N 3.33Å; D878-T880 VanDerWaalsContact CG-OG1 3.32Å; D878-T880 PolarHBondContact O-N 3.06Å; D878-T880 PolarHBondContact OD1-OG1 2.89Å; D878-T880 VanDerWaalsContact OD2-CB 3.23Å; D878-T880 WeakPolarHBondContact OD2-CB 2.72Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.26Å; D878-T880 PolarHBondContact OD2-N 2.93Å; D878-T880 PolarHBondContact OD2-OG1 2.87Å; T880-R882 VanDerWaalsContact C-N 3.29Å; T880-R882 PolarHBondContact O-N 2.79Å; T880-R882 WeakPolarHBondContact OG1-CB 3.2Å; T880-R882 WeakPolarHBondContact OG1-CG 3.34Å; T880-R882 PolarHBondContact OG1-N 2.89Å |
| 881 | G | 78.4 | Confident | 84.8 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 78.1 | 6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R873 P874 S877 D878 N879 | R873-G881 WeakPolarHBondContact CB-O 3.38Å; R873-G881 WeakPolarHBondContact CD-O 2.87Å; R873-G881 VanDerWaalsContact CG-O 3.27Å; R873-G881 WeakPolarHBondContact CG-O 3.42Å; P874-G881 WeakPolarHBondContact CD-O 3.49Å; S877-G881 WeakPolarHBondContact OG-CA 3.36Å; D878-G881 PolarHBondContact O-N 2.98Å; D878-G881 VanDerWaalsContact O-N 3.16Å; D878-G881 PolarHBondContact OD1-N 2.87Å; N879-G881 VanDerWaalsContact C-N 3.26Å |
| 882 | R | 81.5 | Confident | 84.7 | Confident | 173 Ų | 173 | 51.8 Ų | 51.8 | 65% | 0.653 | 26% | 0.261 | S | S | * | . | trans | -102.7 | -40.3 | -166.9 | -62.2 | 179.4 | -178.3 | -165.8 | -0.4 | 113.4 | D878 T880 | D878-R882 PolarHBondContact OD1-N 2.87Å; T880-R882 VanDerWaalsContact C-N 3.29Å; T880-R882 PolarHBondContact O-N 2.79Å; T880-R882 WeakPolarHBondContact OG1-CB 3.2Å; T880-R882 WeakPolarHBondContact OG1-CG 3.34Å; T880-R882 PolarHBondContact OG1-N 2.89Å | ||
| 883 | I | 82 | Confident | 84.4 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 48% | 0.477 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -89.8 | 128.6 | -176.2 | -56.9 | 174.9 | 0 | 0 | 0 | 108.4 | S877 D878 L885 | S877-I883 CarbonylContact C-O 3.39Å; S877-I883 WeakPolarHBondContact CA-O 3.16Å; S877-I883 VanDerWaalsContact CB-O 3.27Å; S877-I883 WeakPolarHBondContact CB-O 3.45Å; D878-I883 HydrophobicContact CB-CB 4.15Å; D878-I883 PolarHBondContact N-O 2.91Å; D878-I883 VanDerWaalsContact N-O 3.11Å; D878-I883 PolarHBondContact OD1-N 2.92Å; I883-L885 HydrophobicContact CG2-CD1 4.2Å; I883-L885 PolarHBondContact O-N 2.77Å |
| 884 | E | 86.4 | Confident | 84.1 | Confident | 110 Ų | 110 | 53 Ų | 53 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -75.1 | 121 | 178.6 | -177.4 | 162.4 | -166.8 | 0 | 0 | 111 | P874 W876 P886 | P874-E884 HydrophobicContact CB-CB 3.72Å; P874-E884 HydrophobicContact CB-CG 3.86Å; P874-E884 HydrophobicContact CG-CB 3.84Å; W876-E884 WeakPolarHBondContact O-CA 3.13Å; E884-P886 HydrophobicContact CG-CG 4.11Å |
| 885 | L | 86.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | trans | -138.3 | 65.3 | -168.2 | -112 | 159.5 | 0 | 0 | 0 | 113.2 | T853 W876 D878 I883 I890 I1081 T1101 | T853-L885 WeakPolarHBondContact CB-O 3.36Å; T853-L885 PolarHBondContact OG1-O 2.95Å; W876-L885 PolarHBondContact O-N 3.36Å; D878-L885 HydrophobicContact CB-CD1 3.91Å; I883-L885 HydrophobicContact CG2-CD1 4.2Å; I883-L885 PolarHBondContact O-N 2.77Å; L885-I890 HydrophobicContact CD2-CD1 3.76Å; L885-I890 HydrophobicContact CD2-CG1 3.79Å; L885-I1081 HydrophobicContact CD1-CD1 4.45Å; L885-I1081 HydrophobicContact CD2-CD1 3.88Å; L885-I1081 HydrophobicContact CD2-CG1 4.17Å; L885-I1081 HydrophobicContact CG-CD1 3.94Å; L885-T1101 HydrophobicContact CD2-CG2 3.91Å | ||
| 886 | P | 87.2 | Confident | 83.2 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 21% | 0.214 | 28% | 0.278 | C | S | . | . | trans | -67.2 | 141 | -178.1 | -16.3 | 31.7 | 0 | 0 | 0 | 112.6 | W876 E884 D888 S889 | W876-P886 HydrophobicContact CB-CB 4.3Å; W876-P886 HydrophobicContact CB-CG 4.46Å; E884-P886 HydrophobicContact CG-CG 4.11Å; P886-D888 PolarHBondContact O-N 2.93Å; P886-D888 VanDerWaalsContact O-N 3.11Å; P886-S889 WeakPolarHBondContact O-CB 3.48Å; P886-S889 PolarHBondContact O-N 3.44Å | ||
| 887 | K | 87.4 | Confident | 83.1 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -40.1 | -178.8 | -73.8 | -170.4 | -62.6 | -167.7 | 0 | 114.4 | T853 W876 W902 W1061 | T853-K887 HydrophobicContact CG2-CD 4.47Å; T853-K887 HydrophobicContact CG2-CG 3.67Å; W876-K887 HydrophobicContact CE3-CD 4.3Å; W876-K887 HydrophobicContact CE3-CG 3.87Å; W876-K887 HydrophobicContact CH2-CD 3.74Å; W876-K887 HydrophobicContact CH2-CG 4.19Å; W876-K887 HydrophobicContact CZ3-CD 3.56Å; W876-K887 HydrophobicContact CZ3-CG 3.64Å; K887-W902 HydrophobicContact CB-CD2 4.44Å; K887-W902 HydrophobicContact CB-CZ2 4.14Å; K887-W902 HydrophobicContact CD-CB 4.13Å; K887-W902 HydrophobicContact CD-CD2 3.72Å; K887-W902 HydrophobicContact CD-CE3 4.23Å; K887-W902 HydrophobicContact CD-CG 3.67Å; K887-W902 HydrophobicContact CG-CD2 3.92Å; K887-W902 HydrophobicContact CG-CE3 4.37Å; K887-W902 HydrophobicContact CG-CG 4.3Å; K887-W902 HydrophobicContact CG-CZ2 4.07Å; K887-W1061 HydrophobicContact CD-CD2 4.47Å |
| 888 | D | 83.3 | Confident | 83.1 | Confident | 141 Ų | 141 | 59.2 Ų | 59.2 | 75% | 0.754 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -8.3 | -176.2 | -54.1 | -43.1 | 0 | 0 | 0 | 113.7 | P886 | P886-D888 PolarHBondContact O-N 2.93Å; P886-D888 VanDerWaalsContact O-N 3.11Å |
| 889 | S | 85 | Confident | 83.2 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -20.6 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | P886 Q891 I1081 R1082 | P886-S889 WeakPolarHBondContact O-CB 3.48Å; P886-S889 PolarHBondContact O-N 3.44Å; S889-Q891 PolarHBondContact O-N 3.12Å; S889-I1081 WeakPolarHBondContact O-CA 3.29Å; S889-R1082 PolarHBondContact O-N 3.02Å |
| 890 | I | 85.2 | Confident | 83.6 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 118.2 | -176.3 | -58.9 | 173.6 | 0 | 0 | 0 | 110 | L885 W898 W902 L1079 | L885-I890 HydrophobicContact CD2-CD1 3.76Å; L885-I890 HydrophobicContact CD2-CG1 3.79Å; I890-W898 HydrophobicContact CG2-CH2 3.92Å; I890-W898 HydrophobicContact CG2-CZ2 4.02Å; I890-W902 HydrophobicContact CD1-CH2 3.78Å; I890-W902 HydrophobicContact CD1-CZ2 3.96Å; I890-L1079 HydrophobicContact CG2-CB 4.12Å; I890-L1079 HydrophobicContact CG2-CD1 3.87Å; I890-L1079 HydrophobicContact CG2-CG 4.47Å |
| 891 | Q | 83.1 | Confident | 84.2 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 135.7 | 174.1 | -59.1 | -165.8 | -108.3 | 0 | 0 | 110.5 | S889 Q1080 R1082 | S889-Q891 PolarHBondContact O-N 3.12Å; Q891-Q1080 HydrophobicContact CB-CB 4.25Å; Q891-Q1080 PolarHBondContact N-O 2.95Å; Q891-Q1080 PolarHBondContact O-N 3.42Å; Q891-R1082 HydrophobicContact CG-CG 3.87Å |
| 892 | L | 80.9 | Confident | 84.8 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -70 | 143 | 172.9 | -65.9 | 173.8 | 0 | 0 | 0 | 111.2 | W896 E897 W898 L1065 L1079 | L892-W896 HydrophobicContact CB-CB 4.31Å; L892-W896 HydrophobicContact CD2-CB 4.47Å; L892-E897 VanDerWaalsContact CD1-C 3.43Å; L892-E897 VanDerWaalsContact CD1-CA 3.46Å; L892-W898 HydrophobicContact CD1-CB 4.43Å; L892-W898 HydrophobicContact CD1-CD2 3.82Å; L892-W898 HydrophobicContact CD1-CG 3.72Å; L892-W898 HydrophobicContact CD2-CD2 3.85Å; L892-W898 HydrophobicContact CD2-CE3 3.91Å; L892-W898 HydrophobicContact CD2-CH2 3.8Å; L892-W898 HydrophobicContact CD2-CZ2 3.72Å; L892-W898 HydrophobicContact CD2-CZ3 3.9Å; L892-W898 HydrophobicContact CG-CD2 3.97Å; L892-W898 HydrophobicContact CG-CG 4.35Å; L892-W898 HydrophobicContact CG-CH2 4.46Å; L892-W898 HydrophobicContact CG-CZ2 3.87Å; L892-L1065 HydrophobicContact CD2-CB 3.82Å; L892-L1065 HydrophobicContact CD2-CD1 3.69Å; L892-L1065 HydrophobicContact CD2-CG 4.29Å; L892-L1079 HydrophobicContact CD2-CD2 4.2Å |
| 893 | P | 76.2 | Confident | 85.2 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 159.8 | 166.8 | 24.7 | -31.1 | 0 | 0 | 0 | 111.6 | G895 W896 V1078 | P893-G895 PolarHBondContact O-N 3.11Å; P893-W896 HydrophobicContact CG-CB 4.46Å; P893-W896 HydrophobicContact CG-CG 4.07Å; P893-W896 PolarHBondContact O-N 3.39Å; P893-V1078 WeakPolarHBondContact CB-O 3.39Å; P893-V1078 WeakPolarHBondContact CG-O 3.49Å |
| 894 | T | 78 | Confident | 85.5 | Confident | 143 Ų | 143 | 61.3 Ų | 61.3 | 88% | 0.877 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134.7 | 175.9 | -53 | 0 | 0 | 0 | 0 | 110.9 | ||
| 895 | G | 76.8 | Confident | 85.5 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 26% | 0.258 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -6.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.5 | P893 K1068 | P893-G895 PolarHBondContact O-N 3.11Å; G895-K1068 WeakPolarHBondContact O-CB 3.49Å; G895-K1068 WeakPolarHBondContact O-CG 3.47Å; G895-K1068 PolarHBondContact O-N 3.02Å |
| 896 | W | 84 | Confident | 85.2 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 11% | 0.114 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 155.9 | 178.2 | -66.9 | 75.7 | 0 | 0 | 0 | 113.2 | V849 L892 P893 L1065 A1066 K1068 S1076 C1077 | V849-W896 HydrophobicContact CB-CH2 4.44Å; V849-W896 HydrophobicContact CB-CZ3 4.08Å; V849-W896 HydrophobicContact CG1-CZ3 4.3Å; V849-W896 HydrophobicContact CG2-CH2 3.96Å; V849-W896 HydrophobicContact CG2-CZ3 4.01Å; L892-W896 HydrophobicContact CB-CB 4.31Å; L892-W896 HydrophobicContact CD2-CB 4.47Å; P893-W896 HydrophobicContact CG-CB 4.46Å; P893-W896 HydrophobicContact CG-CG 4.07Å; P893-W896 PolarHBondContact O-N 3.39Å; W896-L1065 HydrophobicContact CD2-CD1 4.16Å; W896-L1065 HydrophobicContact CE3-CB 4.22Å; W896-L1065 HydrophobicContact CE3-CD1 3.62Å; W896-L1065 HydrophobicContact CE3-CG 4.02Å; W896-L1065 HydrophobicContact CZ3-CD1 4.09Å; W896-L1065 HydrophobicContact CZ3-CG 4.27Å; W896-A1066 CarbonylContact C-O 3.43Å; W896-A1066 WeakPolarHBondContact CA-O 3.37Å; W896-K1068 VanDerWaalsContact O-CE 3.3Å; W896-K1068 WeakPolarHBondContact O-CE 3.44Å; W896-S1076 PolarHBondContact NE1-O 3.14Å; W896-C1077 HydrophobicContact CH2-CB 4.13Å; W896-C1077 HydrophobicContact CZ2-CB 3.75Å |
| 897 | E | 88.6 | Confident | 85.1 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 157 | 171.3 | 60.4 | -179.8 | -154.5 | 0 | 0 | 113.1 | L892 L1065 A1066 K1068 | L892-E897 VanDerWaalsContact CD1-C 3.43Å; L892-E897 VanDerWaalsContact CD1-CA 3.46Å; E897-L1065 VanDerWaalsContact O-CA 3.25Å; E897-L1065 WeakPolarHBondContact O-CA 3.25Å; E897-L1065 WeakPolarHBondContact O-CB 3.33Å; E897-A1066 PolarHBondContact N-O 3.35Å; E897-A1066 PolarHBondContact O-N 2.73Å; E897-K1068 HydrophobicContact CB-CG 3.99Å; E897-K1068 HydrophobicContact CG-CG 3.85Å |
| 898 | W | 90.1 | Very high | 84.7 | Confident | 70 Ų | 70 | 58 Ų | 58 | 27% | 0.265 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.7 | 177.4 | -70.4 | 121.7 | 0 | 0 | 0 | 110.3 | A851 I890 L892 R1063 L1065 | A851-W898 HydrophobicContact CB-CH2 3.61Å; A851-W898 HydrophobicContact CB-CZ3 3.7Å; I890-W898 HydrophobicContact CG2-CH2 3.92Å; I890-W898 HydrophobicContact CG2-CZ2 4.02Å; L892-W898 HydrophobicContact CD1-CB 4.43Å; L892-W898 HydrophobicContact CD1-CD2 3.82Å; L892-W898 HydrophobicContact CD1-CG 3.72Å; L892-W898 HydrophobicContact CD2-CD2 3.85Å; L892-W898 HydrophobicContact CD2-CE3 3.91Å; L892-W898 HydrophobicContact CD2-CH2 3.8Å; L892-W898 HydrophobicContact CD2-CZ2 3.72Å; L892-W898 HydrophobicContact CD2-CZ3 3.9Å; L892-W898 HydrophobicContact CG-CD2 3.97Å; L892-W898 HydrophobicContact CG-CG 4.35Å; L892-W898 HydrophobicContact CG-CH2 4.46Å; L892-W898 HydrophobicContact CG-CZ2 3.87Å; W898-R1063 HydrophobicContact CD2-CG 4.29Å; W898-R1063 HydrophobicContact CE3-CB 4.22Å; W898-R1063 VanDerWaalsContact CE3-CD 3.47Å; W898-R1063 HydrophobicContact CE3-CG 3.6Å; W898-R1063 HydrophobicContact CZ3-CB 4.02Å; W898-R1063 HydrophobicContact CZ3-CG 3.92Å; W898-L1065 HydrophobicContact CE3-CB 4.05Å; W898-L1065 HydrophobicContact CZ3-CB 4.24Å; W898-L1065 HydrophobicContact CZ3-CD2 3.94Å |
| 899 | V | 86.7 | Confident | 84.6 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 102 | 175 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | A1064 A1066 | V899-A1064 HydrophobicContact CB-CB 4.16Å; V899-A1064 PolarHBondContact N-O 2.62Å; V899-A1066 HydrophobicContact CG2-CB 3.66Å |
| 900 | G | 88.9 | Confident | 84.3 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 54% | 0.536 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.1 | -171.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1063 | G900-R1063 VanDerWaalsContact O-CZ 3.28Å; G900-R1063 PolarHBondContact O-NE 2.65Å; G900-R1063 PolarHBondContact O-NH2 3.03Å |
| 901 | D | 91.5 | Very high | 83.8 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 66% | 0.663 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 172.6 | 177.3 | -83.2 | -40.9 | 0 | 0 | 0 | 112.5 | Y903 R1063 | D901-Y903 PolarHBondContact O-N 2.88Å; D901-R1063 IonicContact OD1-CZ 2.87Å; D901-R1063 IonicContact OD1-NH1 2.6Å; D901-R1063 IonicContact OD1-NH2 3.33Å; D901-R1063 PolarHBondContact OD1-NH2 2.86Å |
| 902 | W | 91.5 | Very high | 83.3 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 125.9 | 175.6 | -72.3 | 101.1 | 0 | 0 | 0 | 111.3 | A851 T853 K887 I890 W1061 H1062 R1063 | A851-W902 HydrophobicContact CB-CH2 3.86Å; A851-W902 HydrophobicContact CB-CZ3 4.46Å; T853-W902 HydrophobicContact CG2-CE3 4.35Å; T853-W902 HydrophobicContact CG2-CH2 3.84Å; T853-W902 HydrophobicContact CG2-CZ3 3.72Å; K887-W902 HydrophobicContact CB-CD2 4.44Å; K887-W902 HydrophobicContact CB-CZ2 4.14Å; K887-W902 HydrophobicContact CD-CB 4.13Å; K887-W902 HydrophobicContact CD-CD2 3.72Å; K887-W902 HydrophobicContact CD-CE3 4.23Å; K887-W902 HydrophobicContact CD-CG 3.67Å; K887-W902 HydrophobicContact CG-CD2 3.92Å; K887-W902 HydrophobicContact CG-CE3 4.37Å; K887-W902 HydrophobicContact CG-CG 4.3Å; K887-W902 HydrophobicContact CG-CZ2 4.07Å; I890-W902 HydrophobicContact CD1-CH2 3.78Å; I890-W902 HydrophobicContact CD1-CZ2 3.96Å; W902-W1061 HydrophobicContact CB-CE3 3.98Å; W902-W1061 HydrophobicContact CB-CZ3 4.37Å; W902-W1061 HydrophobicContact CE3-CB 3.95Å; W902-W1061 HydrophobicContact CZ3-CB 4.36Å; W902-H1062 WeakPolarHBondContact CA-O 3.33Å; W902-H1062 VanDerWaalsContact CE3-C 3.46Å; W902-R1063 HydrophobicContact CD2-CB 3.6Å; W902-R1063 HydrophobicContact CD2-CG 4.4Å; W902-R1063 HydrophobicContact CE3-CB 3.59Å; W902-R1063 HydrophobicContact CG-CB 4.11Å; W902-R1063 HydrophobicContact CH2-CB 4.21Å; W902-R1063 HydrophobicContact CZ2-CB 4.24Å; W902-R1063 HydrophobicContact CZ3-CB 3.89Å |
| 903 | Y | 90.9 | Very high | 82.7 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 36% | 0.361 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 156.6 | 174.9 | 62.7 | -84.8 | 0 | 0 | 0 | 111 | D901 W1061 H1062 | D901-Y903 PolarHBondContact O-N 2.88Å; Y903-W1061 WeakPolarHBondContact O-CA 3.25Å; Y903-H1062 VanDerWaalsContact CD1-O 3.31Å; Y903-H1062 WeakPolarHBondContact CD1-O 3.49Å; Y903-H1062 HydrophobicContact CD2-CB 4.47Å; Y903-H1062 HydrophobicContact CE1-CB 4.05Å; Y903-H1062 HydrophobicContact CE2-CB 3.89Å; Y903-H1062 PolarHBondContact N-O 2.95Å; Y903-H1062 PolarHBondContact O-N 2.9Å |
| 904 | V | 87.7 | Confident | 82.3 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 29% | 0.291 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.9 | 174.8 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | A1035 R1059 W1061 | V904-A1035 HydrophobicContact CG1-CB 3.74Å; V904-R1059 HydrophobicContact CG1-CG 3.74Å; V904-R1059 HydrophobicContact CG2-CG 4.31Å; V904-W1061 HydrophobicContact CG2-CD2 4.07Å; V904-W1061 HydrophobicContact CG2-CE3 3.92Å; V904-W1061 HydrophobicContact CG2-CH2 3.81Å; V904-W1061 HydrophobicContact CG2-CZ2 3.95Å; V904-W1061 HydrophobicContact CG2-CZ3 3.79Å |
| 905 | S | 85.9 | Confident | 81.7 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | trans | -136.9 | 88.4 | -174.9 | 176.2 | 0 | 0 | 0 | 0 | 107.8 | R1060 H1062 | S905-R1060 PolarHBondContact N-O 3.43Å; S905-R1060 WeakPolarHBondContact O-CB 3.49Å; S905-R1060 PolarHBondContact O-NE 2.81Å; S905-R1060 PolarHBondContact O-NH2 3.07Å; S905-R1060 VanDerWaalsContact O-NH2 3.17Å; S905-H1062 VanDerWaalsContact CB-ND1 3.34Å; S905-H1062 WeakPolarHBondContact CB-ND1 3.18Å; S905-H1062 PolarHBondContact OG-CE1 3.29Å; S905-H1062 PolarHBondContact OG-ND1 3.22Å | ||
| 906 | P | 81.5 | Confident | 81.1 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -62.1 | 151.7 | -177.6 | 24.2 | -32.4 | 0 | 0 | 0 | 112.1 | L911 A1035 R1060 | P906-L911 HydrophobicContact CG-CD1 4.33Å; P906-A1035 HydrophobicContact CB-CB 4.19Å; P906-A1035 HydrophobicContact CG-CB 4.33Å; P906-R1060 PolarHBondContact O-NH2 2.66Å | ||
| 907 | E | 83.2 | Confident | 80 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | trans | -72.9 | 129.2 | 172.3 | -156.3 | -69.1 | 148.7 | 0 | 0 | 110.1 | T605 S909 L910 | T605-E907 WeakPolarHBondContact CA-OE1 3.28Å; T605-E907 WeakPolarHBondContact CB-OE1 3.18Å; T605-E907 WeakPolarHBondContact CG2-OE1 3.3Å; T605-E907 PolarHBondContact OG1-OE1 2.92Å; E907-S909 PolarHBondContact O-N 2.99Å; E907-S909 WeakPolarHBondContact OE2-CA 3.44Å; E907-S909 VanDerWaalsContact OE2-CB 3.26Å; E907-S909 WeakPolarHBondContact OE2-CB 3.08Å; E907-S909 PolarHBondContact OE2-N 2.76Å; E907-S909 PolarHBondContact OE2-OG 2.84Å; E907-L910 HydrophobicContact CB-CD1 3.98Å; E907-L910 HydrophobicContact CB-CG 4.2Å; E907-L910 WeakPolarHBondContact O-CB 3.49Å; E907-L910 PolarHBondContact O-N 3.02Å; E907-L910 VanDerWaalsContact O-N 3.15Å; E907-L910 PolarHBondContact OE2-N 3.41Å | ||
| 908 | L | 81 | Confident | 78.8 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -70.4 | -31.5 | -161.5 | -144.4 | 154.5 | 0 | 0 | 0 | 112.4 | L910 L911 Y912 L1028 | L908-L910 VanDerWaalsContact C-N 3.25Å; L908-L910 PolarHBondContact O-N 3.15Å; L908-L911 PolarHBondContact O-N 2.99Å; L908-Y912 HydrophobicContact CD2-CE2 3.71Å; L908-Y912 WeakPolarHBondContact O-CD2 3.36Å; L908-L1028 HydrophobicContact CD2-CD2 4.31Å |
| 909 | S | 80.8 | Confident | 77.4 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -65.5 | -26.2 | 175.3 | 73.8 | 0 | 0 | 0 | 0 | 113.2 | N606 E907 L911 Y912 | N606-S909 VanDerWaalsContact CB-OG 3.31Å; N606-S909 WeakPolarHBondContact CB-OG 3.28Å; N606-S909 PolarHBondContact N-OG 2.74Å; N606-S909 VanDerWaalsContact N-OG 3.14Å; N606-S909 PolarHBondContact ND2-OG 3.14Å; N606-S909 VanDerWaalsContact O-CB 3.27Å; N606-S909 WeakPolarHBondContact O-CB 3.41Å; E907-S909 PolarHBondContact O-N 2.99Å; E907-S909 WeakPolarHBondContact OE2-CA 3.44Å; E907-S909 VanDerWaalsContact OE2-CB 3.26Å; E907-S909 WeakPolarHBondContact OE2-CB 3.08Å; E907-S909 PolarHBondContact OE2-N 2.76Å; E907-S909 PolarHBondContact OE2-OG 2.84Å; S909-L911 PolarHBondContact O-N 2.68Å; S909-Y912 PolarHBondContact O-N 2.75Å |
| 910 | L | 77.9 | Confident | 76.4 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -71.5 | -18.2 | 178.3 | -58.5 | 178.3 | 0 | 0 | 0 | 113.4 | N606 E907 L908 E1037 F1046 T1048 | N606-L910 WeakPolarHBondContact ND2-CD2 3.44Å; E907-L910 HydrophobicContact CB-CD1 3.98Å; E907-L910 HydrophobicContact CB-CG 4.2Å; E907-L910 WeakPolarHBondContact O-CB 3.49Å; E907-L910 PolarHBondContact O-N 3.02Å; E907-L910 VanDerWaalsContact O-N 3.15Å; E907-L910 PolarHBondContact OE2-N 3.41Å; L908-L910 VanDerWaalsContact C-N 3.25Å; L908-L910 PolarHBondContact O-N 3.15Å; L910-E1037 HydrophobicContact CD1-CB 4.26Å; L910-E1037 HydrophobicContact CD1-CG 3.58Å; L910-F1046 VanDerWaalsContact CD2-O 3.29Å; L910-F1046 WeakPolarHBondContact CD2-O 3.44Å; L910-T1048 HydrophobicContact CB-CG2 4.05Å; L910-T1048 VanDerWaalsContact O-CG2 3.22Å; L910-T1048 WeakPolarHBondContact O-CG2 3.36Å; L910-T1048 PolarHBondContact O-OG1 3.3Å |
| 911 | L | 75.1 | Confident | 75.7 | Confident | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -84.9 | -16.5 | 178.5 | -60.3 | 175.8 | 0 | 0 | 0 | 112.7 | P906 L908 S909 L1028 S1029 T1048 | P906-L911 HydrophobicContact CG-CD1 4.33Å; L908-L911 PolarHBondContact O-N 2.99Å; S909-L911 PolarHBondContact O-N 2.68Å; L911-L1028 HydrophobicContact CB-CD2 3.64Å; L911-L1028 CarbonylContact O-C 3.55Å; L911-L1028 WeakPolarHBondContact O-CA 3.47Å; L911-S1029 PolarHBondContact O-N 2.72Å; L911-S1029 PolarHBondContact O-OG 3.01Å; L911-T1048 HydrophobicContact CD2-CG2 4.28Å |
| 912 | Y | 73.1 | Confident | 75.2 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 132.7 | 177.3 | -79.5 | -107 | 0 | 0 | 0 | 111 | V608 P618 L908 S909 A916 L1028 | V608-Y912 HydrophobicContact CG1-CD1 3.63Å; V608-Y912 HydrophobicContact CG1-CE1 4.15Å; V608-Y912 HydrophobicContact CG1-CG 4.05Å; V608-Y912 HydrophobicContact CG2-CD1 4.45Å; V608-Y912 HydrophobicContact CG2-CD2 4.31Å; V608-Y912 HydrophobicContact CG2-CG 4.08Å; P618-Y912 HydrophobicContact CB-CD2 4.41Å; P618-Y912 HydrophobicContact CB-CE2 3.52Å; P618-Y912 WeakPolarHBondContact CB-OH 3.44Å; P618-Y912 HydrophobicContact CG-CD2 4.17Å; P618-Y912 HydrophobicContact CG-CE2 3.73Å; L908-Y912 HydrophobicContact CD2-CE2 3.71Å; L908-Y912 WeakPolarHBondContact O-CD2 3.36Å; S909-Y912 PolarHBondContact O-N 2.75Å; Y912-A916 HydrophobicContact CD1-CB 3.7Å; Y912-A916 HydrophobicContact CG-CB 4.48Å; Y912-L1028 HydrophobicContact CD2-CD2 3.9Å; Y912-L1028 HydrophobicContact CE2-CD2 3.84Å |
| 913 | K | 68.1 | Low | 74.9 | Confident | 92 Ų | 92 | 47.9 Ų | 47.9 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | trans | -72.3 | 157.4 | 173.7 | -62 | 162.9 | -173.3 | 166.6 | 0 | 111.1 | D915 A916 Q1026 S1027 L1028 | K913-D915 WeakPolarHBondContact CB-OD1 3.32Å; K913-D915 PolarHBondContact O-N 2.99Å; K913-D915 VanDerWaalsContact O-N 3.1Å; K913-A916 VanDerWaalsContact O-CB 3.29Å; K913-A916 WeakPolarHBondContact O-CB 3.15Å; K913-A916 PolarHBondContact O-N 3.48Å; K913-Q1026 PolarHBondContact NZ-O 2.87Å; K913-S1027 WeakPolarHBondContact CD-O 3.24Å; K913-S1027 WeakPolarHBondContact CG-O 3.23Å; K913-S1027 PolarHBondContact N-O 2.92Å; K913-L1028 WeakPolarHBondContact CE-O 3.36Å | ||
| 914 | K | 68.1 | Low | 74.8 | Confident | 137 Ų | 137 | 45.6 Ų | 45.6 | 60% | 0.596 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.9 | 177.1 | -69.9 | -170.3 | 179 | -178.8 | 0 | 113.8 | F921 | K914-F921 HydrophobicContact CB-CE2 4.28Å; K914-F921 HydrophobicContact CB-CZ 4.22Å; K914-F921 WeakPolarHBondContact O-CE2 3.38Å |
| 915 | D | 64.2 | Low | 74.8 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 6.3 | 179.4 | 59.7 | -17.9 | 0 | 0 | 0 | 113.7 | K913 K918 F921 W964 R1013 | K913-D915 WeakPolarHBondContact CB-OD1 3.32Å; K913-D915 PolarHBondContact O-N 2.99Å; K913-D915 VanDerWaalsContact O-N 3.1Å; D915-K918 PolarHBondContact O-N 3.28Å; D915-F921 HydrophobicContact CB-CB 4.32Å; D915-F921 HydrophobicContact CB-CD1 4.33Å; D915-F921 HydrophobicContact CB-CD2 3.41Å; D915-F921 VanDerWaalsContact CB-CD2 3.41Å; D915-F921 HydrophobicContact CB-CE2 3.68Å; D915-F921 HydrophobicContact CB-CG 3.77Å; D915-F921 HydrophobicContact CB-CZ 4.24Å; D915-W964 HydrophobicContact CB-CZ2 4.38Å; D915-R1013 IonicContact OD2-CZ 3.82Å; D915-R1013 VanDerWaalsContact OD2-CZ 3.25Å; D915-R1013 IonicContact OD2-NH1 3.74Å; D915-R1013 PolarHBondContact OD2-NH1 3.25Å; D915-R1013 IonicContact OD2-NH2 2.69Å; D915-R1013 PolarHBondContact OD2-NH2 2.84Å |
| 916 | A | 64.2 | Low | 75 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 7% | 0.066 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 142.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y912 K913 K918 | Y912-A916 HydrophobicContact CD1-CB 3.7Å; Y912-A916 HydrophobicContact CG-CB 4.48Å; K913-A916 VanDerWaalsContact O-CB 3.29Å; K913-A916 WeakPolarHBondContact O-CB 3.15Å; K913-A916 PolarHBondContact O-N 3.48Å; A916-K918 PolarHBondContact O-N 3.22Å; A916-K918 VanDerWaalsContact O-N 3.11Å |
| 917 | G | 60.3 | Low | 75.6 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 36% | 0.361 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -24 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | G611 | G611-G917 WeakPolarHBondContact CA-O 3.04Š|
| 918 | K | 64.1 | Low | 76 | Confident | 63 Ų | 63 | 42.5 Ų | 42.5 | 27% | 0.274 | 23% | 0.225 | S | C | . | . | trans | -83.3 | 134.1 | -168.5 | -65.6 | -177.7 | 175.6 | -177.2 | 0 | 113 | D915 A916 F921 W964 | D915-K918 PolarHBondContact O-N 3.28Å; A916-K918 PolarHBondContact O-N 3.22Å; A916-K918 VanDerWaalsContact O-N 3.11Å; K918-F921 HydrophobicContact CD-CD2 4.07Å; K918-W964 WeakPolarHBondContact O-CH2 3.42Å | ||
| 919 | T | 59.7 | Low | 76.6 | Confident | 88 Ų | 88 | 40.7 Ų | 40.7 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -89.7 | -23 | 173.9 | 53.8 | 0 | 0 | 0 | 0 | 113 | I1014 L1015 | T919-I1014 WeakPolarHBondContact O-CA 3.23Å; T919-L1015 PolarHBondContact O-N 2.79Å |
| 920 | S | 67 | Low | 77.1 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 51% | 0.51 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.4 | 167.2 | 70 | 0 | 0 | 0 | 0 | 110 | R1013 | S920-R1013 CarbonylContact C-O 3.57Å; S920-R1013 WeakPolarHBondContact CA-O 3.2Å |
| 921 | F | 73.7 | Confident | 77.6 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 130 | -178.1 | -171.8 | -95.4 | 0 | 0 | 0 | 110.8 | K914 D915 K918 E923 W964 R1013 | K914-F921 HydrophobicContact CB-CE2 4.28Å; K914-F921 HydrophobicContact CB-CZ 4.22Å; K914-F921 WeakPolarHBondContact O-CE2 3.38Å; D915-F921 HydrophobicContact CB-CB 4.32Å; D915-F921 HydrophobicContact CB-CD1 4.33Å; D915-F921 HydrophobicContact CB-CD2 3.41Å; D915-F921 VanDerWaalsContact CB-CD2 3.41Å; D915-F921 HydrophobicContact CB-CE2 3.68Å; D915-F921 HydrophobicContact CB-CG 3.77Å; D915-F921 HydrophobicContact CB-CZ 4.24Å; K918-F921 HydrophobicContact CD-CD2 4.07Å; F921-E923 PolarHBondContact O-N 3Å; F921-W964 HydrophobicContact CB-CH2 3.76Å; F921-W964 HydrophobicContact CB-CZ3 3.78Å; F921-R1013 HydrophobicContact CB-CG 4.09Å; F921-R1013 VanDerWaalsContact CD1-NH2 3.3Å; F921-R1013 PolarHBondContact N-O 2.86Å; F921-R1013 WeakPolarHBondContact O-CG 3.22Å; F921-R1013 PolarHBondContact O-N 3.32Å |
| 922 | V | 80.8 | Confident | 78 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 107.8 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | I1010 | V922-I1010 HydrophobicContact CG1-CB 3.71Å; V922-I1010 HydrophobicContact CG1-CG2 3.86Å |
| 923 | E | 85 | Confident | 78.3 | Confident | 26 Ų | 26 | 48 Ų | 48 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.3 | 168.6 | -163.5 | 68.8 | -150.6 | 0 | 0 | 108.5 | F921 K952 V958 W966 W970 I1010 R1011 R1013 | F921-E923 PolarHBondContact O-N 3Å; E923-K952 IonicContact OE1-NZ 2.86Å; E923-K952 PolarHBondContact OE1-NZ 2.69Å; E923-K952 VanDerWaalsContact OE1-NZ 3.13Å; E923-V958 HydrophobicContact CG-CG1 4.08Å; E923-W966 HydrophobicContact CB-CH2 4.15Å; E923-W966 HydrophobicContact CB-CZ3 3.98Å; E923-W966 HydrophobicContact CG-CH2 4.28Å; E923-W970 HydrophobicContact CB-CH2 4.26Å; E923-W970 HydrophobicContact CG-CH2 4.05Å; E923-W970 WeakPolarHBondContact O-CZ3 3.48Å; E923-I1010 WeakPolarHBondContact O-CA 3.4Å; E923-R1011 PolarHBondContact N-O 3.05Å; E923-R1011 PolarHBondContact O-N 3.09Å; E923-R1013 IonicContact OE2-CZ 3.25Å; E923-R1013 IonicContact OE2-NE 2.85Å; E923-R1013 PolarHBondContact OE2-NE 3.27Å; E923-R1013 IonicContact OE2-NH2 3.95Å; E923-R1013 PolarHBondContact OE2-NH2 3.42Å |
| 924 | E | 88.4 | Confident | 78.9 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.7 | -177.9 | 65.6 | 173.2 | 178.9 | 0 | 0 | 111.7 | R1008 L1009 I1010 | E924-R1008 IonicContact OE2-CZ 3.18Å; E924-R1008 VanDerWaalsContact OE2-CZ 3.25Å; E924-R1008 IonicContact OE2-NE 3.41Å; E924-R1008 PolarHBondContact OE2-NE 2.95Å; E924-R1008 IonicContact OE2-NH2 2.76Å; E924-R1008 PolarHBondContact OE2-NH2 3.24Å; E924-L1009 WeakPolarHBondContact CA-O 3.17Å; E924-I1010 HydrophobicContact CB-CG2 4.4Å |
| 925 | L | 89.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 130.2 | -175.6 | -159.5 | 136.2 | 0 | 0 | 0 | 109.6 | Y944 K952 P955 V958 W970 L1009 | L925-Y944 HydrophobicContact CD2-CD1 3.32Å; L925-Y944 HydrophobicContact CD2-CE1 4.06Å; L925-Y944 HydrophobicContact CD2-CG 3.89Å; L925-K952 HydrophobicContact CD1-CB 4.01Å; L925-K952 HydrophobicContact CG-CB 4.3Å; L925-P955 HydrophobicContact CD2-CG 4.17Å; L925-V958 HydrophobicContact CD1-CG2 3.56Å; L925-W970 HydrophobicContact CB-CH2 3.61Å; L925-W970 HydrophobicContact CB-CZ2 4.48Å; L925-W970 HydrophobicContact CB-CZ3 3.66Å; L925-W970 HydrophobicContact CD1-CH2 4.08Å; L925-W970 HydrophobicContact CD1-CZ2 4.28Å; L925-W970 HydrophobicContact CG-CH2 4.47Å; L925-L1009 HydrophobicContact CD2-CD1 4.45Å; L925-L1009 PolarHBondContact N-O 2.78Å; L925-L1009 WeakPolarHBondContact O-CA 3.21Å; L925-L1009 WeakPolarHBondContact O-CB 3.29Å; L925-L1009 PolarHBondContact O-N 2.9Å |
| 926 | F | 90 | Very high | 80.9 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.8 | -176 | -71.9 | -100.3 | 0 | 0 | 0 | 109.5 | N928 Y944 T945 A947 R1006 R1007 R1008 | F926-N928 PolarHBondContact O-ND2 3.46Å; F926-Y944 CarbonylContact O-C 3.55Å; F926-Y944 VanDerWaalsContact O-CA 3.27Å; F926-Y944 WeakPolarHBondContact O-CA 3.11Å; F926-T945 PolarHBondContact N-O 2.8Å; F926-T945 PolarHBondContact O-N 2.83Å; F926-A947 HydrophobicContact CD2-CB 4.21Å; F926-A947 VanDerWaalsContact CE2-CA 3.46Å; F926-A947 HydrophobicContact CE2-CB 3.52Å; F926-A947 HydrophobicContact CZ-CB 3.98Å; F926-R1006 HydrophobicContact CD1-CB 4.4Å; F926-R1006 VanDerWaalsContact CD1-CD 3.5Å; F926-R1006 HydrophobicContact CD1-CG 3.88Å; F926-R1007 WeakPolarHBondContact CA-O 3.42Å; F926-R1008 HydrophobicContact CD1-CB 4.04Å; F926-R1008 HydrophobicContact CD1-CG 4.41Å; F926-R1008 HydrophobicContact CE1-CB 3.63Å; F926-R1008 HydrophobicContact CE1-CG 3.82Å; F926-R1008 HydrophobicContact CE2-CG 3.95Å; F926-R1008 HydrophobicContact CZ-CB 3.94Å; F926-R1008 HydrophobicContact CZ-CG 3.57Å |
| 927 | Y | 92.7 | Very high | 82.2 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.6 | 171.4 | 165.7 | -92.7 | 0 | 0 | 0 | 109 | E929 V939 A943 Y944 F983 R1006 R1007 | Y927-E929 HydrophobicContact CD1-CG 4.32Å; Y927-E929 HydrophobicContact CE1-CG 3.5Å; Y927-E929 WeakPolarHBondContact CE1-OE1 3.44Å; Y927-E929 PolarHBondContact OH-OE1 2.72Å; Y927-V939 HydrophobicContact CE2-CG1 4.43Å; Y927-A943 WeakPolarHBondContact CA-O 3.03Å; Y927-Y944 HydrophobicContact CD2-CD1 4.08Å; Y927-Y944 AromaticContact CD2-CE1 3.53Å; Y927-Y944 HydrophobicContact CD2-CE1 3.53Å; Y927-Y944 AromaticContact CD2-CZ 3.81Å; Y927-Y944 HydrophobicContact CG-CD1 4.5Å; Y927-Y944 HydrophobicContact CG-CE1 4.08Å; Y927-F983 HydrophobicContact CD1-CE1 4.14Å; Y927-F983 HydrophobicContact CD1-CZ 4.31Å; Y927-F983 HydrophobicContact CE1-CE1 4.24Å; Y927-F983 HydrophobicContact CE1-CZ 4.12Å; Y927-R1006 CarbonylContact O-C 3.33Å; Y927-R1006 WeakPolarHBondContact O-CA 3.25Å; Y927-R1007 HydrophobicContact CD1-CG 3.88Å; Y927-R1007 VanDerWaalsContact CD1-CZ 3.47Å; Y927-R1007 HydrophobicContact CG-CG 4.35Å; Y927-R1007 PolarHBondContact N-O 3.26Å; Y927-R1007 PolarHBondContact O-N 2.66Å |
| 928 | N | 91.8 | Very high | 83.6 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 9% | 0.086 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138 | -169.1 | -55.7 | -66.1 | 0 | 0 | 0 | 111.8 | F926 A940 A943 T945 R1006 | F926-N928 PolarHBondContact O-ND2 3.46Å; N928-A940 HydrophobicContact CB-CB 3.91Å; N928-A940 WeakPolarHBondContact O-CB 3.38Å; N928-A940 PolarHBondContact O-N 3Å; N928-A943 PolarHBondContact N-O 3.19Å; N928-T945 VanDerWaalsContact ND2-CG2 3.32Å; N928-T945 WeakPolarHBondContact ND2-CG2 3.17Å; N928-T945 PolarHBondContact ND2-OG1 3.27Å; N928-R1006 WeakPolarHBondContact OD1-CB 3.3Å |
| 929 | E | 93.3 | Very high | 84.8 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.9 | 172.3 | -66.3 | -173 | 162.4 | 0 | 0 | 110.8 | Y927 W937 K938 F983 F1004 R1005 | Y927-E929 HydrophobicContact CD1-CG 4.32Å; Y927-E929 HydrophobicContact CE1-CG 3.5Å; Y927-E929 WeakPolarHBondContact CE1-OE1 3.44Å; Y927-E929 PolarHBondContact OH-OE1 2.72Å; E929-W937 HydrophobicContact CB-CE3 4.17Å; E929-K938 CarbonylContact C-O 3.55Å; E929-K938 WeakPolarHBondContact CA-O 3.24Å; E929-K938 VanDerWaalsContact CB-O 3.28Å; E929-K938 WeakPolarHBondContact CB-O 3.13Å; E929-F983 HydrophobicContact CG-CE1 4.34Å; E929-F1004 WeakPolarHBondContact O-CA 3.48Å; E929-R1005 HydrophobicContact CB-CG 3.92Å; E929-R1005 PolarHBondContact N-O 2.79Å; E929-R1005 PolarHBondContact O-N 3.02Å; E929-R1005 VanDerWaalsContact O-O 3.1Å; E929-R1005 IonicContact OE2-CZ 3.75Å; E929-R1005 VanDerWaalsContact OE2-CZ 3.23Å; E929-R1005 IonicContact OE2-NE 3.25Å; E929-R1005 PolarHBondContact OE2-NE 3.33Å; E929-R1005 IonicContact OE2-NH2 3.22Å; E929-R1005 PolarHBondContact OE2-NH2 2.73Å |
| 930 | F | 91.4 | Very high | 86 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 159.7 | 176.7 | 87.8 | -74.5 | 0 | 0 | 0 | 111.5 | K938 V939 A940 M1003 F1004 | F930-K938 HydrophobicContact CD1-CB 4.24Å; F930-K938 HydrophobicContact CE1-CB 3.9Å; F930-K938 PolarHBondContact N-O 3.37Å; F930-K938 PolarHBondContact O-N 2.92Å; F930-V939 WeakPolarHBondContact CD1-O 3.24Å; F930-V939 WeakPolarHBondContact CE1-O 3.41Å; F930-A940 HydrophobicContact CB-CB 4.3Å; F930-A940 HydrophobicContact CD1-CB 4.34Å; F930-M1003 CarbonylContact C-O 3.58Å; F930-M1003 WeakPolarHBondContact CA-O 3.31Å; F930-F1004 HydrophobicContact CB-CD1 3.8Å; F930-F1004 HydrophobicContact CB-CE1 3.64Å; F930-F1004 HydrophobicContact CB-CZ 4.27Å |
| 931 | R | 89.6 | Confident | 86.6 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 11% | 0.109 | 30% | 0.304 | C | S | . | . | trans | -150.5 | 167.8 | 168.2 | 70.5 | 175.9 | 177.9 | -169 | -0 | 110.8 | W937 E998 K999 H1002 M1003 | R931-W937 HydrophobicContact CB-CD2 4.18Å; R931-W937 HydrophobicContact CB-CE3 3.84Å; R931-W937 HydrophobicContact CB-CZ3 4.14Å; R931-W937 HydrophobicContact CG-CD2 4.06Å; R931-W937 HydrophobicContact CG-CE3 3.78Å; R931-W937 HydrophobicContact CG-CH2 3.78Å; R931-W937 HydrophobicContact CG-CZ2 4.04Å; R931-W937 HydrophobicContact CG-CZ3 3.64Å; R931-E998 IonicContact CZ-OE1 3.92Å; R931-E998 IonicContact NH1-OE1 3.66Å; R931-E998 PolarHBondContact NH1-OE1 2.86Å; R931-E998 IonicContact NH1-OE2 2.67Å; R931-E998 VanDerWaalsContact NH2-CD 3.26Å; R931-E998 IonicContact NH2-OE1 2.71Å; R931-E998 PolarHBondContact NH2-OE1 2.78Å; R931-E998 IonicContact NH2-OE2 3.9Å; R931-K999 PolarHBondContact NH2-O 3.15Å; R931-H1002 PolarHBondContact NE-O 2.93Å; R931-M1003 PolarHBondContact N-O 2.77Å; R931-M1003 WeakPolarHBondContact O-CA 3.44Å; R931-M1003 VanDerWaalsContact O-CB 3.3Å; R931-M1003 WeakPolarHBondContact O-CB 3.31Å | ||
| 932 | T | 83.9 | Confident | 86.9 | Confident | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 31% | 0.313 | S | S | . | . | trans | -97 | 163.5 | 154.6 | 66.9 | 0 | 0 | 0 | 0 | 109.3 | T934 S935 | T932-T934 PolarHBondContact O-N 2.92Å; T932-T934 PolarHBondContact OG1-OG1 2.85Å; T932-S935 PolarHBondContact N-OG 2.83Å; T932-S935 PolarHBondContact O-N 2.81Å; T932-S935 PolarHBondContact O-OG 2.76Å; T932-S935 WeakPolarHBondContact OG1-CB 3.27Å; T932-S935 PolarHBondContact OG1-N 2.72Å; T932-S935 PolarHBondContact OG1-OG 2.84Å | ||
| 933 | P | 78.5 | Confident | 87.2 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -8.2 | 177.6 | -28 | 36.6 | 0 | 0 | 0 | 116.2 | ||
| 934 | T | 81.1 | Confident | 87.4 | Confident | 139 Ų | 139 | 57.4 Ų | 57.4 | 85% | 0.853 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 2.4 | -179.9 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | T932 | T932-T934 PolarHBondContact O-N 2.92Å; T932-T934 PolarHBondContact OG1-OG1 2.85Å |
| 935 | S | 85.3 | Confident | 87.3 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -120.4 | 154.1 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | T932 | T932-S935 PolarHBondContact N-OG 2.83Å; T932-S935 PolarHBondContact O-N 2.81Å; T932-S935 PolarHBondContact O-OG 2.76Å; T932-S935 WeakPolarHBondContact OG1-CB 3.27Å; T932-S935 PolarHBondContact OG1-N 2.72Å; T932-S935 PolarHBondContact OG1-OG 2.84Å |
| 936 | P | 89.3 | Confident | 86.9 | Confident | 95 Ų | 95 | 57 Ų | 57 | 62% | 0.617 | 31% | 0.308 | S | S | * | . | trans | -68.5 | 157.7 | 172 | 30.2 | -36.2 | 0 | 0 | 0 | 111.2 | ||||
| 937 | W | 90.6 | Very high | 86.3 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 16% | 0.163 | 32% | 0.317 | C | S | . | . | trans | -55.9 | 137.7 | 172.4 | -66.6 | 114.4 | 0 | 0 | 0 | 111.8 | E929 R931 Y985 E998 M1003 R1005 | E929-W937 HydrophobicContact CB-CE3 4.17Å; R931-W937 HydrophobicContact CB-CD2 4.18Å; R931-W937 HydrophobicContact CB-CE3 3.84Å; R931-W937 HydrophobicContact CB-CZ3 4.14Å; R931-W937 HydrophobicContact CG-CD2 4.06Å; R931-W937 HydrophobicContact CG-CE3 3.78Å; R931-W937 HydrophobicContact CG-CH2 3.78Å; R931-W937 HydrophobicContact CG-CZ2 4.04Å; R931-W937 HydrophobicContact CG-CZ3 3.64Å; W937-Y985 AromaticContact CE2-CE1 3.96Å; W937-Y985 HydrophobicContact CH2-CD1 4.03Å; W937-Y985 HydrophobicContact CH2-CE1 4.24Å; W937-Y985 AromaticContact CZ2-CD1 3.63Å; W937-Y985 HydrophobicContact CZ2-CD1 3.63Å; W937-Y985 AromaticContact CZ2-CE1 3.45Å; W937-Y985 HydrophobicContact CZ2-CE1 3.45Å; W937-Y985 VanDerWaalsContact CZ2-CE1 3.45Å; W937-E998 PolarHBondContact NE1-OE2 2.7Å; W937-M1003 WeakPolarHBondContact CZ3-O 3.11Å; W937-R1005 HydrophobicContact CD2-CG 3.92Å; W937-R1005 HydrophobicContact CE3-CB 4.47Å; W937-R1005 HydrophobicContact CE3-CG 3.7Å; W937-R1005 HydrophobicContact CH2-CB 3.86Å; W937-R1005 HydrophobicContact CH2-CG 3.97Å; W937-R1005 HydrophobicContact CZ2-CB 4.22Å; W937-R1005 HydrophobicContact CZ2-CG 4.17Å; W937-R1005 HydrophobicContact CZ3-CB 3.99Å; W937-R1005 HydrophobicContact CZ3-CG 3.72Å | ||
| 938 | K | 90 | Very high | 85.3 | Confident | 123 Ų | 123 | 60.5 Ų | 60.5 | 54% | 0.535 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.1 | 177.2 | -65.5 | 179.1 | -176.1 | 178.8 | 0 | 109.6 | E929 F930 A940 | E929-K938 CarbonylContact C-O 3.55Å; E929-K938 WeakPolarHBondContact CA-O 3.24Å; E929-K938 VanDerWaalsContact CB-O 3.28Å; E929-K938 WeakPolarHBondContact CB-O 3.13Å; F930-K938 HydrophobicContact CD1-CB 4.24Å; F930-K938 HydrophobicContact CE1-CB 3.9Å; F930-K938 PolarHBondContact N-O 3.37Å; F930-K938 PolarHBondContact O-N 2.92Å; K938-A940 PolarHBondContact O-N 2.89Å |
| 939 | V | 88.4 | Confident | 84.3 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 46% | 0.461 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 127.7 | 172.8 | -170.5 | 0 | 0 | 0 | 0 | 110 | Y927 F930 A943 | Y927-V939 HydrophobicContact CE2-CG1 4.43Å; F930-V939 WeakPolarHBondContact CD1-O 3.24Å; F930-V939 WeakPolarHBondContact CE1-O 3.41Å; V939-A943 HydrophobicContact CG1-CB 3.37Å |
| 940 | A | 84.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 160.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N928 F930 K938 P942 A943 | N928-A940 HydrophobicContact CB-CB 3.91Å; N928-A940 WeakPolarHBondContact O-CB 3.38Å; N928-A940 PolarHBondContact O-N 3Å; F930-A940 HydrophobicContact CB-CB 4.3Å; F930-A940 HydrophobicContact CD1-CB 4.34Å; K938-A940 PolarHBondContact O-N 2.89Å; A940-P942 CarbonylContact O-C 3.49Å; A940-A943 WeakPolarHBondContact O-CA 3.47Å; A940-A943 PolarHBondContact O-N 2.79Å |
| 941 | E | 80.6 | Confident | 83 | Confident | 198 Ų | 198 | 64.3 Ų | 64.3 | 93% | 0.925 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.9 | 162.6 | -72.3 | -172.6 | 162.3 | 0 | 0 | 108.2 | ||
| 942 | P | 80.9 | Confident | 82.6 | Confident | 49 Ų | 49 | 66 Ų | 66 | 32% | 0.318 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -75.6 | 142.4 | -1 | 32.4 | -37.2 | 0 | 0 | 0 | 114.6 | A940 Y944 T945 L951 | A940-P942 CarbonylContact O-C 3.49Å; P942-Y944 PolarHBondContact O-N 3.07Å; P942-T945 HydrophobicContact CB-CG2 4.2Å; P942-T945 HydrophobicContact CG-CG2 3.48Å; P942-T945 VanDerWaalsContact CG-CG2 3.48Å; P942-L951 HydrophobicContact CB-CB 4.22Å; P942-L951 HydrophobicContact CB-CD1 3.55Å; P942-L951 HydrophobicContact CB-CG 4.44Å |
| 943 | A | 86 | Confident | 82.3 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | -33.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y927 N928 V939 A940 | Y927-A943 WeakPolarHBondContact CA-O 3.03Å; N928-A943 PolarHBondContact N-O 3.19Å; V939-A943 HydrophobicContact CG1-CB 3.37Å; A940-A943 WeakPolarHBondContact O-CA 3.47Å; A940-A943 PolarHBondContact O-N 2.79Å |
| 944 | Y | 89.3 | Confident | 82.5 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.8 | -178.2 | -66.6 | -71.4 | 0 | 0 | 0 | 110.3 | L925 F926 Y927 P942 K952 E954 P955 L1009 | L925-Y944 HydrophobicContact CD2-CD1 3.32Å; L925-Y944 HydrophobicContact CD2-CE1 4.06Å; L925-Y944 HydrophobicContact CD2-CG 3.89Å; F926-Y944 CarbonylContact O-C 3.55Å; F926-Y944 VanDerWaalsContact O-CA 3.27Å; F926-Y944 WeakPolarHBondContact O-CA 3.11Å; Y927-Y944 HydrophobicContact CD2-CD1 4.08Å; Y927-Y944 AromaticContact CD2-CE1 3.53Å; Y927-Y944 HydrophobicContact CD2-CE1 3.53Å; Y927-Y944 AromaticContact CD2-CZ 3.81Å; Y927-Y944 HydrophobicContact CG-CD1 4.5Å; Y927-Y944 HydrophobicContact CG-CE1 4.08Å; P942-Y944 PolarHBondContact O-N 3.07Å; Y944-K952 PolarHBondContact O-N 3.17Å; Y944-E954 HydrophobicContact CD2-CB 3.88Å; Y944-E954 HydrophobicContact CE2-CB 3.62Å; Y944-P955 HydrophobicContact CE1-CG 3.92Å; Y944-P955 VanDerWaalsContact CZ-CD 3.48Å; Y944-L1009 HydrophobicContact CE1-CD1 4.31Å |
| 945 | T | 86.1 | Confident | 82.5 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 172.9 | 178.1 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | F926 N928 P942 G949 E950 | F926-T945 PolarHBondContact N-O 2.8Å; F926-T945 PolarHBondContact O-N 2.83Å; N928-T945 VanDerWaalsContact ND2-CG2 3.32Å; N928-T945 WeakPolarHBondContact ND2-CG2 3.17Å; N928-T945 PolarHBondContact ND2-OG1 3.27Å; P942-T945 HydrophobicContact CB-CG2 4.2Å; P942-T945 HydrophobicContact CG-CG2 3.48Å; P942-T945 VanDerWaalsContact CG-CG2 3.48Å; T945-G949 WeakPolarHBondContact CG2-O 3.48Å; T945-E950 CarbonylContact C-O 3.59Å; T945-E950 WeakPolarHBondContact CA-O 3.47Å; T945-E950 WeakPolarHBondContact CB-O 3.46Å |
| 946 | D | 81.2 | Confident | 82.3 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 17% | 0.166 | 36% | 0.357 | C | S | . | . | trans | -78.3 | -177.1 | 156.2 | 68.2 | 13 | 0 | 0 | 0 | 111.9 | Q948 G949 E950 K952 | D946-Q948 PolarHBondContact O-N 2.8Å; D946-Q948 WeakPolarHBondContact OD1-CA 3.18Å; D946-Q948 WeakPolarHBondContact OD1-CB 3.46Å; D946-Q948 PolarHBondContact OD1-N 2.87Å; D946-G949 PolarHBondContact O-N 3.04Å; D946-G949 PolarHBondContact OD1-N 3.35Å; D946-E950 PolarHBondContact N-O 2.8Å; D946-E950 PolarHBondContact OD1-N 3.4Å; D946-K952 HydrophobicContact CB-CG 4.36Å | ||
| 947 | A | 77.1 | Confident | 81.9 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F926 R1006 | F926-A947 HydrophobicContact CD2-CB 4.21Å; F926-A947 VanDerWaalsContact CE2-CA 3.46Å; F926-A947 HydrophobicContact CE2-CB 3.52Å; F926-A947 HydrophobicContact CZ-CB 3.98Å; A947-R1006 PolarHBondContact O-NH1 3.45Å; A947-R1006 VanDerWaalsContact O-NH1 3.15Å |
| 948 | Q | 72 | Confident | 81.4 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 36% | 0.36 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -6.7 | -178.9 | -72.6 | 68.5 | 76.5 | 0 | 0 | 112.5 | D946 | D946-Q948 PolarHBondContact O-N 2.8Å; D946-Q948 WeakPolarHBondContact OD1-CA 3.18Å; D946-Q948 WeakPolarHBondContact OD1-CB 3.46Å; D946-Q948 PolarHBondContact OD1-N 2.87Å |
| 949 | G | 70.8 | Confident | 80.8 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | trans | 91.5 | 10.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | T945 D946 | T945-G949 WeakPolarHBondContact CG2-O 3.48Å; D946-G949 PolarHBondContact O-N 3.04Å; D946-G949 PolarHBondContact OD1-N 3.35Å | ||
| 950 | E | 76.5 | Confident | 80.2 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | trans | -81.1 | 138.8 | 175 | -68.7 | -58.3 | 165.4 | 0 | 0 | 112.1 | T945 D946 K952 K1052 | T945-E950 CarbonylContact C-O 3.59Å; T945-E950 WeakPolarHBondContact CA-O 3.47Å; T945-E950 WeakPolarHBondContact CB-O 3.46Å; D946-E950 PolarHBondContact N-O 2.8Å; D946-E950 PolarHBondContact OD1-N 3.4Å; E950-K952 PolarHBondContact O-N 3.32Å; E950-K1052 WeakPolarHBondContact OE1-CB 3.44Å; E950-K1052 VanDerWaalsContact OE1-CG 3.25Å; E950-K1052 WeakPolarHBondContact OE1-CG 3.34Å; E950-K1052 PolarHBondContact OE1-N 2.95Å; E950-K1052 WeakPolarHBondContact OE2-CE 3.31Å; E950-K1052 IonicContact OE2-NZ 3.22Å; E950-K1052 PolarHBondContact OE2-NZ 2.98Å | ||
| 951 | L | 81.3 | Confident | 79.6 | Confident | 122 Ų | 122 | 67.6 Ų | 67.6 | 64% | 0.639 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -56.4 | 123.6 | -176.5 | 170.7 | 66.5 | 0 | 0 | 0 | 110.8 | P942 | P942-L951 HydrophobicContact CB-CB 4.22Å; P942-L951 HydrophobicContact CB-CD1 3.55Å; P942-L951 HydrophobicContact CB-CG 4.44Å |
| 952 | K | 80.1 | Confident | 79.2 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 28% | 0.283 | 36% | 0.358 | S | S | . | . | trans | -111.5 | 157.1 | 169.1 | -80.6 | -84.5 | -168.8 | 149.6 | 0 | 109.3 | E923 L925 Y944 D946 E950 | E923-K952 IonicContact OE1-NZ 2.86Å; E923-K952 PolarHBondContact OE1-NZ 2.69Å; E923-K952 VanDerWaalsContact OE1-NZ 3.13Å; L925-K952 HydrophobicContact CD1-CB 4.01Å; L925-K952 HydrophobicContact CG-CB 4.3Å; Y944-K952 PolarHBondContact O-N 3.17Å; D946-K952 HydrophobicContact CB-CG 4.36Å; E950-K952 PolarHBondContact O-N 3.32Å | ||
| 953 | G | 79.2 | Confident | 78.6 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 38% | 0.381 | 37% | 0.365 | S | S | . | . | trans | -63.5 | 165 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T957 | G953-T957 VanDerWaalsContact CA-OG1 3.29Å; G953-T957 WeakPolarHBondContact CA-OG1 3.47Å | ||
| 954 | E | 82.2 | Confident | 78.1 | Confident | 106 Ų | 106 | 62.8 Ų | 62.8 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | trans | -62.5 | 157.2 | 170.1 | 63.9 | 177.8 | -178.2 | 0 | 0 | 111.3 | Y944 N956 T957 | Y944-E954 HydrophobicContact CD2-CB 3.88Å; Y944-E954 HydrophobicContact CE2-CB 3.62Å; E954-N956 PolarHBondContact O-N 2.67Å; E954-T957 HydrophobicContact CG-CG2 3.57Å; E954-T957 PolarHBondContact N-OG1 3.36Å; E954-T957 PolarHBondContact O-N 3.34Å; E954-T957 PolarHBondContact O-OG1 3.2Å | ||
| 955 | P | 81.4 | Confident | 77.6 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 12% | 0.117 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -50.4 | -32.9 | -171.1 | -29.5 | 33.7 | 0 | 0 | 0 | 115.5 | L925 Y944 W970 L1009 | L925-P955 HydrophobicContact CD2-CG 4.17Å; Y944-P955 HydrophobicContact CE1-CG 3.92Å; Y944-P955 VanDerWaalsContact CZ-CD 3.48Å; P955-W970 VanDerWaalsContact CB-CD1 3.48Å; P955-W970 HydrophobicContact CB-CD2 4.1Å; P955-W970 HydrophobicContact CB-CG 3.9Å; P955-W970 PolarHBondContact O-NE1 2.84Å; P955-L1009 HydrophobicContact CG-CD1 3.93Å |
| 956 | N | 80.3 | Confident | 77.4 | Confident | 141 Ų | 141 | 66.2 Ų | 66.2 | 75% | 0.754 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -81.9 | -14.5 | -179.4 | -65 | -16.7 | 0 | 0 | 0 | 114.1 | E954 | E954-N956 PolarHBondContact O-N 2.67Š|
| 957 | T | 81.3 | Confident | 77.3 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -94.4 | -0.7 | 178.1 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | G953 E954 E959 | G953-T957 VanDerWaalsContact CA-OG1 3.29Å; G953-T957 WeakPolarHBondContact CA-OG1 3.47Å; E954-T957 HydrophobicContact CG-CG2 3.57Å; E954-T957 PolarHBondContact N-OG1 3.36Å; E954-T957 PolarHBondContact O-N 3.34Å; E954-T957 PolarHBondContact O-OG1 3.2Å; T957-E959 PolarHBondContact O-N 2.94Å; T957-E959 VanDerWaalsContact O-N 3.15Å |
| 958 | V | 79.9 | Confident | 77.4 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | trans | -74.2 | 104.9 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | E923 L925 W966 W970 | E923-V958 HydrophobicContact CG-CG1 4.08Å; L925-V958 HydrophobicContact CD1-CG2 3.56Å; V958-W966 HydrophobicContact CG1-CH2 4.2Å; V958-W966 HydrophobicContact CG1-CZ2 4.3Å; V958-W970 HydrophobicContact CB-CZ2 4.24Å; V958-W970 HydrophobicContact CG1-CZ2 4.49Å; V958-W970 HydrophobicContact CG2-CZ2 3.96Å | ||
| 959 | E | 77.5 | Confident | 78.1 | Confident | 173 Ų | 173 | 71.2 Ų | 71.2 | 81% | 0.808 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 146.1 | 178.7 | -62.3 | -175.2 | 161 | 0 | 0 | 112.4 | T957 | T957-E959 PolarHBondContact O-N 2.94Å; T957-E959 VanDerWaalsContact O-N 3.15Å |
| 960 | L | 74.7 | Confident | 78.9 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 127.9 | 168.8 | -87.4 | 163.2 | 0 | 0 | 0 | 110 | W964 W966 R1013 | L960-W964 HydrophobicContact CD2-CB 3.79Å; L960-W966 HydrophobicContact CD1-CD2 4.48Å; L960-W966 HydrophobicContact CD1-CG 4.1Å; L960-W966 HydrophobicContact CD2-CD2 3.74Å; L960-W966 HydrophobicContact CD2-CE3 4.24Å; L960-W966 HydrophobicContact CD2-CG 4.1Å; L960-W966 HydrophobicContact CD2-CH2 4.26Å; L960-W966 HydrophobicContact CD2-CZ2 3.77Å; L960-W966 HydrophobicContact CD2-CZ3 4.49Å; L960-W966 HydrophobicContact CG-CD2 4.11Å; L960-W966 VanDerWaalsContact CG-CE2 3.47Å; L960-W966 HydrophobicContact CG-CG 4.25Å; L960-W966 HydrophobicContact CG-CZ2 3.82Å; L960-W966 VanDerWaalsContact CG-NE1 3.35Å; L960-R1013 HydrophobicContact CD2-CB 4.18Å |
| 961 | P | 73 | Confident | 79.5 | Confident | 52 Ų | 52 | 75 Ų | 75 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -61 | 150.4 | 165.9 | -22 | 35.2 | 0 | 0 | 0 | 111.2 | G963 W964 | P961-G963 PolarHBondContact O-N 3.27Å; P961-W964 WeakPolarHBondContact O-CB 3.47Å; P961-W964 PolarHBondContact O-N 2.78Å; P961-W964 VanDerWaalsContact O-N 3.12Å |
| 962 | S | 72.7 | Confident | 79.8 | Confident | 99 Ų | 99 | 71.4 Ų | 71.4 | 69% | 0.692 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 133.4 | -179.4 | -171.2 | 0 | 0 | 0 | 0 | 112 | ||
| 963 | G | 67.4 | Low | 80 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 47% | 0.474 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -5.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P961 G1016 | P961-G963 PolarHBondContact O-N 3.27Å; G963-G1016 PolarHBondContact O-N 2.94Å |
| 964 | W | 77 | Confident | 80.2 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 11% | 0.106 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 153.5 | 179.1 | -66 | 78.9 | 0 | 0 | 0 | 113.2 | D915 K918 F921 L960 P961 R1013 I1014 L1015 | D915-W964 HydrophobicContact CB-CZ2 4.38Å; K918-W964 WeakPolarHBondContact O-CH2 3.42Å; F921-W964 HydrophobicContact CB-CH2 3.76Å; F921-W964 HydrophobicContact CB-CZ3 3.78Å; L960-W964 HydrophobicContact CD2-CB 3.79Å; P961-W964 WeakPolarHBondContact O-CB 3.47Å; P961-W964 PolarHBondContact O-N 2.78Å; P961-W964 VanDerWaalsContact O-N 3.12Å; W964-R1013 HydrophobicContact CD2-CG 4.27Å; W964-R1013 VanDerWaalsContact CD2-NH1 3.26Å; W964-R1013 HydrophobicContact CE3-CB 3.81Å; W964-R1013 HydrophobicContact CE3-CG 3.57Å; W964-R1013 HydrophobicContact CZ3-CB 4.48Å; W964-R1013 HydrophobicContact CZ3-CG 3.98Å; W964-R1013 WeakPolarHBondContact CZ3-O 3.41Å; W964-I1014 CarbonylContact C-O 3.47Å; W964-I1014 WeakPolarHBondContact CA-O 3.28Å; W964-L1015 HydrophobicContact CD2-CB 3.99Å; W964-L1015 HydrophobicContact CD2-CD1 4.04Å; W964-L1015 HydrophobicContact CE3-CB 3.94Å; W964-L1015 HydrophobicContact CG-CD1 4.14Å; W964-L1015 HydrophobicContact CH2-CB 3.97Å; W964-L1015 HydrophobicContact CZ2-CB 4.01Å; W964-L1015 HydrophobicContact CZ2-CD1 4.24Å; W964-L1015 HydrophobicContact CZ2-CD2 4.22Å; W964-L1015 HydrophobicContact CZ2-CG 4.39Å; W964-L1015 HydrophobicContact CZ3-CB 3.93Å |
| 965 | T | 77.5 | Confident | 79.9 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.2 | 169.8 | 58 | 0 | 0 | 0 | 0 | 110.3 | R1013 I1014 | T965-R1013 CarbonylContact O-C 3.57Å; T965-R1013 WeakPolarHBondContact O-CA 3.49Å; T965-R1013 VanDerWaalsContact O-CB 3.27Å; T965-R1013 WeakPolarHBondContact O-CB 3.1Å; T965-I1014 PolarHBondContact N-O 2.84Å; T965-I1014 PolarHBondContact O-N 2.9Å; T965-I1014 PolarHBondContact OG1-O 2.85Å |
| 966 | W | 83.2 | Confident | 79.7 | Confident | 69 Ų | 69 | 79.2 Ų | 79.2 | 26% | 0.261 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131.9 | 171.8 | -65.7 | 121.2 | 0 | 0 | 0 | 109.8 | E923 V958 L960 R1011 R1013 | E923-W966 HydrophobicContact CB-CH2 4.15Å; E923-W966 HydrophobicContact CB-CZ3 3.98Å; E923-W966 HydrophobicContact CG-CH2 4.28Å; V958-W966 HydrophobicContact CG1-CH2 4.2Å; V958-W966 HydrophobicContact CG1-CZ2 4.3Å; L960-W966 HydrophobicContact CD1-CD2 4.48Å; L960-W966 HydrophobicContact CD1-CG 4.1Å; L960-W966 HydrophobicContact CD2-CD2 3.74Å; L960-W966 HydrophobicContact CD2-CE3 4.24Å; L960-W966 HydrophobicContact CD2-CG 4.1Å; L960-W966 HydrophobicContact CD2-CH2 4.26Å; L960-W966 HydrophobicContact CD2-CZ2 3.77Å; L960-W966 HydrophobicContact CD2-CZ3 4.49Å; L960-W966 HydrophobicContact CG-CD2 4.11Å; L960-W966 VanDerWaalsContact CG-CE2 3.47Å; L960-W966 HydrophobicContact CG-CG 4.25Å; L960-W966 HydrophobicContact CG-CZ2 3.82Å; L960-W966 VanDerWaalsContact CG-NE1 3.35Å; W966-R1011 HydrophobicContact CD2-CG 4.48Å; W966-R1011 VanDerWaalsContact CD2-CZ 3.47Å; W966-R1011 VanDerWaalsContact CD2-NE 3.32Å; W966-R1011 HydrophobicContact CE3-CG 3.81Å; W966-R1011 HydrophobicContact CZ3-CG 4.26Å; W966-R1013 HydrophobicContact CE3-CB 3.68Å; W966-R1013 HydrophobicContact CE3-CG 4.4Å; W966-R1013 HydrophobicContact CZ3-CB 3.75Å; W966-R1013 HydrophobicContact CZ3-CG 3.96Å |
| 967 | A | 77.3 | Confident | 79.7 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | trans | -91 | -30.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1012 I1014 | A967-S1012 PolarHBondContact N-O 3.21Å; A967-I1014 HydrophobicContact CB-CD1 3.59Å; A967-I1014 HydrophobicContact CB-CG1 3.93Å | ||
| 968 | D | 79.9 | Confident | 80 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 31% | 0.305 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -134.6 | 165.3 | -171.3 | -71.5 | 74.4 | 0 | 0 | 0 | 110.6 | K971 R1011 | D968-K971 IonicContact OD2-NZ 2.67Å; D968-K971 PolarHBondContact OD2-NZ 2.92Å; D968-R1011 HydrophobicContact CB-CG 4.47Å; D968-R1011 WeakPolarHBondContact O-CD 3.33Å; D968-R1011 WeakPolarHBondContact O-CG 3.25Å |
| 969 | D | 86.2 | Confident | 80.5 | Confident | 129 Ų | 129 | 75.8 Ų | 75.8 | 69% | 0.69 | 41% | 0.406 | S | S | * | . | trans | -83.5 | 166.6 | 158 | -77.4 | -46.4 | 0 | 0 | 0 | 111.7 | K971 | D969-K971 PolarHBondContact O-N 2.96Š| ||
| 970 | W | 87.8 | Confident | 81 | Confident | 44 Ų | 44 | 76.6 Ų | 76.6 | 17% | 0.167 | 41% | 0.41 | C | S | . | . | trans | -64.7 | 128.2 | 176.1 | -72.6 | 101.4 | 0 | 0 | 0 | 112.1 | E923 L925 P955 V958 L1009 I1010 R1011 | E923-W970 HydrophobicContact CB-CH2 4.26Å; E923-W970 HydrophobicContact CG-CH2 4.05Å; E923-W970 WeakPolarHBondContact O-CZ3 3.48Å; L925-W970 HydrophobicContact CB-CH2 3.61Å; L925-W970 HydrophobicContact CB-CZ2 4.48Å; L925-W970 HydrophobicContact CB-CZ3 3.66Å; L925-W970 HydrophobicContact CD1-CH2 4.08Å; L925-W970 HydrophobicContact CD1-CZ2 4.28Å; L925-W970 HydrophobicContact CG-CH2 4.47Å; P955-W970 VanDerWaalsContact CB-CD1 3.48Å; P955-W970 HydrophobicContact CB-CD2 4.1Å; P955-W970 HydrophobicContact CB-CG 3.9Å; P955-W970 PolarHBondContact O-NE1 2.84Å; V958-W970 HydrophobicContact CB-CZ2 4.24Å; V958-W970 HydrophobicContact CG1-CZ2 4.49Å; V958-W970 HydrophobicContact CG2-CZ2 3.96Å; W970-L1009 HydrophobicContact CE3-CB 3.75Å; W970-L1009 HydrophobicContact CZ3-CB 4.21Å; W970-I1010 WeakPolarHBondContact CA-O 3.16Å; W970-I1010 VanDerWaalsContact CE3-C 3.47Å; W970-R1011 HydrophobicContact CD2-CB 3.62Å; W970-R1011 HydrophobicContact CE3-CB 3.67Å; W970-R1011 HydrophobicContact CG-CB 4.07Å; W970-R1011 HydrophobicContact CH2-CB 4.38Å; W970-R1011 HydrophobicContact CZ2-CB 4.36Å; W970-R1011 HydrophobicContact CZ3-CB 4.05Å | ||
| 971 | K | 88.7 | Confident | 81.6 | Confident | 111 Ų | 111 | 78.3 Ų | 78.3 | 48% | 0.483 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153.8 | 179.2 | -65.5 | 164.4 | -173 | 172.4 | 0 | 110.3 | D968 D969 L1009 I1010 | D968-K971 IonicContact OD2-NZ 2.67Å; D968-K971 PolarHBondContact OD2-NZ 2.92Å; D969-K971 PolarHBondContact O-N 2.96Å; K971-L1009 CarbonylContact O-C 3.59Å; K971-L1009 WeakPolarHBondContact O-CA 3.19Å; K971-I1010 PolarHBondContact N-O 2.76Å; K971-I1010 PolarHBondContact O-N 2.92Å |
| 972 | I | 87.9 | Confident | 82.3 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 24% | 0.241 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 133.8 | 170.1 | -63.8 | 172.3 | 0 | 0 | 0 | 108.3 | Y974 L1009 | I972-Y974 HydrophobicContact CB-CD2 4.44Å; I972-Y974 HydrophobicContact CB-CE2 3.79Å; I972-Y974 HydrophobicContact CG2-CD1 4.38Å; I972-Y974 HydrophobicContact CG2-CD2 4.24Å; I972-Y974 HydrophobicContact CG2-CE1 3.96Å; I972-Y974 HydrophobicContact CG2-CE2 3.81Å; I972-Y974 WeakPolarHBondContact O-CD2 3.48Å; I972-Y974 PolarHBondContact O-N 3.41Å; I972-L1009 HydrophobicContact CG1-CD2 3.87Å |
| 973 | D | 84.4 | Confident | 83.2 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 6% | 0.059 | 37% | 0.372 | C | S | . | . | trans | -87.5 | 103.4 | 177.1 | 178 | 24.5 | 0 | 0 | 0 | 111.6 | N975 R976 R1008 I1010 | D973-N975 WeakPolarHBondContact OD1-CB 3.43Å; D973-N975 PolarHBondContact OD1-N 3.03Å; D973-R976 WeakPolarHBondContact OD2-CD 3.44Å; D973-R976 WeakPolarHBondContact OD2-CG 3.22Å; D973-R1008 HydrophobicContact CB-CB 4.22Å; D973-R1008 HydrophobicContact CB-CG 4.26Å; D973-R1008 PolarHBondContact N-O 2.9Å; D973-R1008 WeakPolarHBondContact OD2-CD 3.08Å; D973-R1008 IonicContact OD2-CZ 3.6Å; D973-R1008 IonicContact OD2-NE 3.95Å; D973-R1008 IonicContact OD2-NH1 3.39Å; D973-R1008 PolarHBondContact OD2-NH1 3.01Å; D973-I1010 HydrophobicContact CB-CD1 3.89Å; D973-I1010 HydrophobicContact CB-CG1 4.05Å; D973-I1010 HydrophobicContact CB-CG2 4.11Å | ||
| 974 | Y | 84 | Confident | 84.4 | Confident | 127 Ų | 127 | 69.9 Ų | 69.9 | 50% | 0.498 | 35% | 0.352 | S | S | . | . | trans | -90 | -1.9 | 175.8 | -62.4 | -79.7 | 0 | 0 | 0 | 113.8 | I972 R976 | I972-Y974 HydrophobicContact CB-CD2 4.44Å; I972-Y974 HydrophobicContact CB-CE2 3.79Å; I972-Y974 HydrophobicContact CG2-CD1 4.38Å; I972-Y974 HydrophobicContact CG2-CD2 4.24Å; I972-Y974 HydrophobicContact CG2-CE1 3.96Å; I972-Y974 HydrophobicContact CG2-CE2 3.81Å; I972-Y974 WeakPolarHBondContact O-CD2 3.48Å; I972-Y974 PolarHBondContact O-N 3.41Å; Y974-R976 PolarHBondContact O-N 2.7Å | ||
| 975 | N | 76.9 | Confident | 85.1 | Confident | 160 Ų | 160 | 69 Ų | 69 | 86% | 0.856 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -81 | 26.6 | -178.8 | -70.8 | -21.3 | 0 | 0 | 0 | 112.9 | D973 | D973-N975 WeakPolarHBondContact OD1-CB 3.43Å; D973-N975 PolarHBondContact OD1-N 3.03Å |
| 976 | R | 76.9 | Confident | 85.6 | Confident | 93 Ų | 93 | 66.1 Ų | 66.1 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -142 | 158.9 | -176.9 | -58.5 | -173.5 | 72.1 | -132.9 | -8 | 110 | D973 Y974 C978 E984 | D973-R976 WeakPolarHBondContact OD2-CD 3.44Å; D973-R976 WeakPolarHBondContact OD2-CG 3.22Å; Y974-R976 PolarHBondContact O-N 2.7Å; R976-C978 PolarHBondContact O-N 3.05Å; R976-C978 PolarHBondContact O-SG 3Å; R976-E984 IonicContact CZ-OE1 2.79Å; R976-E984 IonicContact NH1-OE1 3.6Å; R976-E984 PolarHBondContact NH1-OE1 2.58Å; R976-E984 IonicContact NH2-OE1 2.83Å |
| 977 | P | 80.1 | Confident | 85.6 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 66% | 0.662 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -65.5 | 96 | 177.5 | -21 | 34 | 0 | 0 | 0 | 112.2 | A996 | P977-A996 HydrophobicContact CB-CB 4.07Š|
| 978 | C | 88.1 | Confident | 85.5 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | trans | -136.2 | 173.4 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | R976 F983 | R976-C978 PolarHBondContact O-N 3.05Å; R976-C978 PolarHBondContact O-SG 3Å; C978-F983 VanDerWaalsContact CA-O 3.31Å; C978-F983 WeakPolarHBondContact CA-O 3.33Å; C978-F983 WeakPolarHBondContact CB-O 3.18Å | ||
| 979 | D | 89.4 | Confident | 85 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | trans | -80.4 | -177.5 | 171.5 | 69.7 | 9.2 | 0 | 0 | 0 | 112.9 | D981 G982 F983 Y985 | D979-D981 PolarHBondContact O-N 3.17Å; D979-D981 WeakPolarHBondContact OD1-CA 3.44Å; D979-D981 PolarHBondContact OD1-N 3.44Å; D979-G982 PolarHBondContact O-N 3.39Å; D979-G982 PolarHBondContact OD1-N 2.83Å; D979-F983 PolarHBondContact N-O 2.84Å; D979-F983 PolarHBondContact OD1-N 2.98Å; D979-Y985 HydrophobicContact CB-CE2 4.3Å; D979-Y985 WeakPolarHBondContact OD2-CE2 3.42Å; D979-Y985 PolarHBondContact OD2-OH 3.32Å | ||
| 980 | E | 87 | Confident | 84.1 | Confident | 190 Ų | 190 | 65.9 Ų | 65.9 | 89% | 0.888 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.9 | 179.3 | -61.9 | -173.9 | 169.5 | 0 | 0 | 113.5 | ||
| 981 | D | 88.3 | Confident | 82.9 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.3 | 176.2 | -76.7 | -33.1 | 0 | 0 | 0 | 112.8 | D979 F983 | D979-D981 PolarHBondContact O-N 3.17Å; D979-D981 WeakPolarHBondContact OD1-CA 3.44Å; D979-D981 PolarHBondContact OD1-N 3.44Å; D981-F983 HydrophobicContact CB-CD2 3.75Å; D981-F983 HydrophobicContact CB-CE2 4.14Å |
| 982 | G | 86.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 82.3 | 17.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D979 R1007 | D979-G982 PolarHBondContact O-N 3.39Å; D979-G982 PolarHBondContact OD1-N 2.83Å; G982-R1007 WeakPolarHBondContact O-CA 3.24Å; G982-R1007 WeakPolarHBondContact O-CB 3.38Å |
| 983 | F | 93.1 | Very high | 81.1 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 143.4 | 177.4 | -73.5 | -85.1 | 0 | 0 | 0 | 113.4 | Y927 E929 C978 D979 D981 Y985 R1005 R1006 R1007 | Y927-F983 HydrophobicContact CD1-CE1 4.14Å; Y927-F983 HydrophobicContact CD1-CZ 4.31Å; Y927-F983 HydrophobicContact CE1-CE1 4.24Å; Y927-F983 HydrophobicContact CE1-CZ 4.12Å; E929-F983 HydrophobicContact CG-CE1 4.34Å; C978-F983 VanDerWaalsContact CA-O 3.31Å; C978-F983 WeakPolarHBondContact CA-O 3.33Å; C978-F983 WeakPolarHBondContact CB-O 3.18Å; D979-F983 PolarHBondContact N-O 2.84Å; D979-F983 PolarHBondContact OD1-N 2.98Å; D981-F983 HydrophobicContact CB-CD2 3.75Å; D981-F983 HydrophobicContact CB-CE2 4.14Å; F983-Y985 HydrophobicContact CB-CE2 4.38Å; F983-R1005 HydrophobicContact CB-CB 4.4Å; F983-R1005 HydrophobicContact CB-CG 4.5Å; F983-R1005 HydrophobicContact CD1-CB 4.01Å; F983-R1005 VanDerWaalsContact CD1-CD 3.48Å; F983-R1005 HydrophobicContact CD1-CG 3.49Å; F983-R1005 VanDerWaalsContact CD1-CG 3.49Å; F983-R1005 HydrophobicContact CE1-CG 3.87Å; F983-R1005 HydrophobicContact CG-CG 4.15Å; F983-R1006 CarbonylContact C-O 3.57Å; F983-R1006 WeakPolarHBondContact CA-O 3.35Å; F983-R1007 HydrophobicContact CD1-CB 3.98Å; F983-R1007 HydrophobicContact CE1-CB 4.12Å; F983-R1007 HydrophobicContact CE1-CG 4.19Å; F983-R1007 HydrophobicContact CG-CB 4.29Å; F983-R1007 HydrophobicContact CZ-CG 4.45Å |
| 984 | E | 91.4 | Very high | 81.1 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 141.2 | 166.6 | -33 | 172.9 | 163.3 | 0 | 0 | 108.7 | R976 Y994 R1005 R1006 | R976-E984 IonicContact CZ-OE1 2.79Å; R976-E984 IonicContact NH1-OE1 3.6Å; R976-E984 PolarHBondContact NH1-OE1 2.58Å; R976-E984 IonicContact NH2-OE1 2.83Å; E984-Y994 HydrophobicContact CB-CD1 3.99Å; E984-Y994 HydrophobicContact CB-CG 4.25Å; E984-R1005 CarbonylContact O-C 3.5Å; E984-R1005 WeakPolarHBondContact O-CA 3.46Å; E984-R1005 WeakPolarHBondContact O-CB 3.09Å; E984-R1006 HydrophobicContact CB-CG 4.44Å; E984-R1006 PolarHBondContact N-O 2.89Å; E984-R1006 PolarHBondContact O-N 2.98Å; E984-R1006 IonicContact OE2-CZ 3.16Å; E984-R1006 IonicContact OE2-NE 2.7Å; E984-R1006 PolarHBondContact OE2-NE 2.8Å; E984-R1006 IonicContact OE2-NH2 2.71Å; E984-R1006 PolarHBondContact OE2-NH2 3.27Å |
| 985 | Y | 91.1 | Very high | 81.3 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 4% | 0.035 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144 | -172.2 | -64.9 | -91.1 | 0 | 0 | 0 | 113.6 | W937 D979 F983 Y994 V995 E998 H1002 R1005 | W937-Y985 AromaticContact CE2-CE1 3.96Å; W937-Y985 HydrophobicContact CH2-CD1 4.03Å; W937-Y985 HydrophobicContact CH2-CE1 4.24Å; W937-Y985 AromaticContact CZ2-CD1 3.63Å; W937-Y985 HydrophobicContact CZ2-CD1 3.63Å; W937-Y985 AromaticContact CZ2-CE1 3.45Å; W937-Y985 HydrophobicContact CZ2-CE1 3.45Å; W937-Y985 VanDerWaalsContact CZ2-CE1 3.45Å; D979-Y985 HydrophobicContact CB-CE2 4.3Å; D979-Y985 WeakPolarHBondContact OD2-CE2 3.42Å; D979-Y985 PolarHBondContact OD2-OH 3.32Å; F983-Y985 HydrophobicContact CB-CE2 4.38Å; Y985-Y994 CarbonylContact O-C 3.59Å; Y985-Y994 VanDerWaalsContact O-CA 3.27Å; Y985-Y994 WeakPolarHBondContact O-CA 3.42Å; Y985-V995 PolarHBondContact N-O 2.98Å; Y985-V995 PolarHBondContact O-N 2.8Å; Y985-E998 HydrophobicContact CD1-CB 4.19Å; Y985-E998 HydrophobicContact CD1-CG 3.85Å; Y985-E998 HydrophobicContact CD2-CB 4.27Å; Y985-E998 HydrophobicContact CE1-CB 3.73Å; Y985-E998 HydrophobicContact CE1-CG 3.4Å; Y985-E998 VanDerWaalsContact CE1-CG 3.4Å; Y985-E998 WeakPolarHBondContact CE1-OE2 3.12Å; Y985-E998 HydrophobicContact CE2-CB 3.83Å; Y985-E998 HydrophobicContact CE2-CG 4.44Å; Y985-E998 HydrophobicContact CG-CB 4.41Å; Y985-E998 VanDerWaalsContact CZ-CB 3.49Å; Y985-E998 PolarHBondContact OH-OE2 3.47Å; Y985-H1002 WeakPolarHBondContact CB-ND1 3.12Å; Y985-H1002 HydrophobicContact CD1-CB 4.38Å; Y985-R1005 HydrophobicContact CD1-CB 3.63Å; Y985-R1005 HydrophobicContact CE1-CB 3.89Å; Y985-R1005 HydrophobicContact CE1-CG 4.39Å; Y985-R1005 HydrophobicContact CG-CB 4.26Å |
| 986 | T | 88.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 166 | 172.9 | -164.6 | 0 | 0 | 0 | 0 | 112.9 | E988 G993 Y994 H1002 M1003 F1004 | T986-E988 VanDerWaalsContact CG2-O 3.32Å; T986-E988 WeakPolarHBondContact CG2-O 3.24Å; T986-G993 VanDerWaalsContact CB-O 3.27Å; T986-G993 WeakPolarHBondContact CB-O 3.48Å; T986-G993 PolarHBondContact OG1-O 3.09Å; T986-Y994 HydrophobicContact CG2-CD1 3.87Å; T986-Y994 HydrophobicContact CG2-CE1 3.35Å; T986-Y994 HydrophobicContact CG2-CE2 4.19Å; T986-Y994 HydrophobicContact CG2-CG 4.47Å; T986-H1002 CarbonylContact O-C 3.55Å; T986-H1002 VanDerWaalsContact O-CA 3.26Å; T986-H1002 WeakPolarHBondContact O-CA 3.43Å; T986-H1002 WeakPolarHBondContact O-CB 3.09Å; T986-M1003 PolarHBondContact O-N 2.87Å; T986-F1004 HydrophobicContact CG2-CB 3.84Å; T986-F1004 PolarHBondContact N-O 2.83Å; T986-F1004 PolarHBondContact O-N 3.36Å; T986-F1004 VanDerWaalsContact O-O 3.11Å |
| 987 | V | 83 | Confident | 82.3 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -70.6 | -45 | 175.2 | -169.3 | 0 | 0 | 0 | 0 | 110.2 | Y1001 M1003 | V987-Y1001 HydrophobicContact CG2-CD2 3.88Å; V987-Y1001 HydrophobicContact CG2-CE2 3.9Å; V987-M1003 WeakPolarHBondContact O-CB 3.29Å |
| 988 | E | 76.6 | Confident | 82.6 | Confident | 104 Ų | 104 | 56 Ų | 56 | 49% | 0.486 | 34% | 0.343 | S | S | . | . | trans | -146.1 | 133.5 | -176.4 | -164.2 | -171.2 | 150.2 | 0 | 0 | 109.3 | T986 S990 T991 | T986-E988 VanDerWaalsContact CG2-O 3.32Å; T986-E988 WeakPolarHBondContact CG2-O 3.24Å; E988-S990 WeakPolarHBondContact CG-OG 3.35Å; E988-S990 PolarHBondContact O-N 3.14Å; E988-S990 PolarHBondContact OE1-OG 2.85Å; E988-T991 PolarHBondContact O-N 2.92Å; E988-T991 VanDerWaalsContact O-N 3.1Å; E988-T991 PolarHBondContact O-OG1 2.98Å | ||
| 989 | A | 68.5 | Low | 82.6 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -57.2 | -26.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y994 F1004 | A989-Y994 PolarHBondContact O-OH 3.28Å; A989-F1004 HydrophobicContact CB-CB 4.42Å; A989-F1004 HydrophobicContact CB-CD1 3.86Å; A989-F1004 HydrophobicContact CB-CD2 4.45Å; A989-F1004 HydrophobicContact CB-CE1 4.2Å; A989-F1004 HydrophobicContact CB-CG 3.99Å |
| 990 | S | 66.7 | Low | 82.2 | Confident | 79 Ų | 79 | 64.3 Ų | 64.3 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -74.1 | -24.1 | -179.6 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | E988 | E988-S990 WeakPolarHBondContact CG-OG 3.35Å; E988-S990 PolarHBondContact O-N 3.14Å; E988-S990 PolarHBondContact OE1-OG 2.85Å |
| 991 | T | 63.9 | Low | 82.1 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -84.6 | -7.9 | -172.6 | 21.5 | 0 | 0 | 0 | 0 | 114.2 | E988 G993 | E988-T991 PolarHBondContact O-N 2.92Å; E988-T991 VanDerWaalsContact O-N 3.1Å; E988-T991 PolarHBondContact O-OG1 2.98Å; T991-G993 PolarHBondContact O-N 3.29Å |
| 992 | G | 63.3 | Low | 82.1 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 54% | 0.536 | 34% | 0.337 | S | S | . | . | trans | 67.7 | -14.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y994 | G992-Y994 WeakPolarHBondContact O-CD2 3.17Å; G992-Y994 PolarHBondContact O-N 3.07Å; G992-Y994 VanDerWaalsContact O-N 3.15Å | ||
| 993 | G | 75.2 | Confident | 82.2 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | trans | -78.7 | 91 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | T986 T991 | T986-G993 VanDerWaalsContact CB-O 3.27Å; T986-G993 WeakPolarHBondContact CB-O 3.48Å; T986-G993 PolarHBondContact OG1-O 3.09Å; T991-G993 PolarHBondContact O-N 3.29Å | ||
| 994 | Y | 85.3 | Confident | 82.1 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 16% | 0.161 | 36% | 0.361 | C | S | . | . | trans | -98.1 | 144 | 174.8 | -69.5 | -96.2 | 0 | 0 | 0 | 111.6 | E984 Y985 T986 A989 G992 R1006 | E984-Y994 HydrophobicContact CB-CD1 3.99Å; E984-Y994 HydrophobicContact CB-CG 4.25Å; Y985-Y994 CarbonylContact O-C 3.59Å; Y985-Y994 VanDerWaalsContact O-CA 3.27Å; Y985-Y994 WeakPolarHBondContact O-CA 3.42Å; T986-Y994 HydrophobicContact CG2-CD1 3.87Å; T986-Y994 HydrophobicContact CG2-CE1 3.35Å; T986-Y994 HydrophobicContact CG2-CE2 4.19Å; T986-Y994 HydrophobicContact CG2-CG 4.47Å; A989-Y994 PolarHBondContact O-OH 3.28Å; G992-Y994 WeakPolarHBondContact O-CD2 3.17Å; G992-Y994 PolarHBondContact O-N 3.07Å; G992-Y994 VanDerWaalsContact O-N 3.15Å; Y994-R1006 HydrophobicContact CD1-CG 3.9Å; Y994-R1006 VanDerWaalsContact CD2-CZ 3.42Å; Y994-R1006 HydrophobicContact CE1-CB 4.35Å; Y994-R1006 VanDerWaalsContact CE1-CD 3.46Å; Y994-R1006 HydrophobicContact CE1-CG 3.6Å | ||
| 995 | V | 86.8 | Confident | 82.1 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -135.2 | 151.6 | 179.2 | -63 | 0 | 0 | 0 | 0 | 111.8 | Y985 A997 H1002 | Y985-V995 PolarHBondContact N-O 2.98Å; Y985-V995 PolarHBondContact O-N 2.8Å; V995-A997 VanDerWaalsContact C-N 3.35Å; V995-A997 PolarHBondContact O-N 3.17Å; V995-H1002 WeakPolarHBondContact CG2-CE1 3.5Å |
| 996 | A | 87.8 | Confident | 82.2 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -65.6 | -31.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P977 | P977-A996 HydrophobicContact CB-CB 4.07Š|
| 997 | A | 87.9 | Confident | 82.3 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 49% | 0.488 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -92.7 | 125.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V995 H1002 | V995-A997 VanDerWaalsContact C-N 3.35Å; V995-A997 PolarHBondContact O-N 3.17Å; A997-H1002 PolarHBondContact O-CE1 2.86Å; A997-H1002 VanDerWaalsContact O-CE1 3.3Å; A997-H1002 PolarHBondContact O-ND1 2.97Å |
| 998 | E | 86.2 | Confident | 82.8 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 42% | 0.416 | 37% | 0.367 | S | S | . | . | trans | -61.8 | 138.8 | 172 | -164.4 | 175.4 | 120 | 0 | 0 | 111.5 | R931 W937 Y985 | R931-E998 IonicContact CZ-OE1 3.92Å; R931-E998 IonicContact NH1-OE1 3.66Å; R931-E998 PolarHBondContact NH1-OE1 2.86Å; R931-E998 IonicContact NH1-OE2 2.67Å; R931-E998 VanDerWaalsContact NH2-CD 3.26Å; R931-E998 IonicContact NH2-OE1 2.71Å; R931-E998 PolarHBondContact NH2-OE1 2.78Å; R931-E998 IonicContact NH2-OE2 3.9Å; W937-E998 PolarHBondContact NE1-OE2 2.7Å; Y985-E998 HydrophobicContact CD1-CB 4.19Å; Y985-E998 HydrophobicContact CD1-CG 3.85Å; Y985-E998 HydrophobicContact CD2-CB 4.27Å; Y985-E998 HydrophobicContact CE1-CB 3.73Å; Y985-E998 HydrophobicContact CE1-CG 3.4Å; Y985-E998 VanDerWaalsContact CE1-CG 3.4Å; Y985-E998 WeakPolarHBondContact CE1-OE2 3.12Å; Y985-E998 HydrophobicContact CE2-CB 3.83Å; Y985-E998 HydrophobicContact CE2-CG 4.44Å; Y985-E998 HydrophobicContact CG-CB 4.41Å; Y985-E998 VanDerWaalsContact CZ-CB 3.49Å; Y985-E998 PolarHBondContact OH-OE2 3.47Å | ||
| 999 | K | 87.5 | Confident | 83.5 | Confident | 96 Ų | 96 | 61.5 Ų | 61.5 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | trans | -134.2 | 152 | 170.7 | -61.1 | 179.6 | -179.6 | 175.4 | 0 | 109.6 | R931 Y1001 H1002 | R931-K999 PolarHBondContact NH2-O 3.15Å; K999-Y1001 HydrophobicContact CB-CD1 4.14Å; K999-Y1001 HydrophobicContact CB-CE1 3.87Å; K999-Y1001 HydrophobicContact CB-CE2 4.45Å; K999-Y1001 HydrophobicContact CD-CE1 3.73Å; K999-Y1001 HydrophobicContact CD-CE2 4.3Å; K999-Y1001 VanDerWaalsContact CD-CZ 3.46Å; K999-Y1001 WeakPolarHBondContact CD-OH 3.36Å; K999-Y1001 HydrophobicContact CG-CE1 4.41Å; K999-Y1001 PolarHBondContact NZ-OH 2.89Å; K999-Y1001 PolarHBondContact O-N 2.88Å; K999-H1002 PolarHBondContact N-ND1 3.35Å; K999-H1002 WeakPolarHBondContact O-CB 3.42Å; K999-H1002 PolarHBondContact O-N 2.71Å | ||
| 1000 | L | 82.3 | Confident | 84.4 | Confident | 143 Ų | 143 | 61.2 Ų | 61.2 | 75% | 0.749 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.8 | -177.1 | -76.8 | 164.5 | 0 | 0 | 0 | 114.2 | ||
| 1001 | Y | 84.4 | Confident | 85.5 | Confident | 125 Ų | 125 | 58.4 Ų | 58.4 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -2.7 | 179.1 | 62.2 | -103.7 | 0 | 0 | 0 | 114 | V987 K999 M1003 | V987-Y1001 HydrophobicContact CG2-CD2 3.88Å; V987-Y1001 HydrophobicContact CG2-CE2 3.9Å; K999-Y1001 HydrophobicContact CB-CD1 4.14Å; K999-Y1001 HydrophobicContact CB-CE1 3.87Å; K999-Y1001 HydrophobicContact CB-CE2 4.45Å; K999-Y1001 HydrophobicContact CD-CE1 3.73Å; K999-Y1001 HydrophobicContact CD-CE2 4.3Å; K999-Y1001 VanDerWaalsContact CD-CZ 3.46Å; K999-Y1001 WeakPolarHBondContact CD-OH 3.36Å; K999-Y1001 HydrophobicContact CG-CE1 4.41Å; K999-Y1001 PolarHBondContact NZ-OH 2.89Å; K999-Y1001 PolarHBondContact O-N 2.88Å; Y1001-M1003 PolarHBondContact O-N 3.42Å |
| 1002 | H | 88.3 | Confident | 86.4 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | trans | -75 | 116.2 | 171.6 | -62.7 | 162.1 | 0 | 0 | 0 | 109.3 | R931 Y985 T986 V995 A997 K999 | R931-H1002 PolarHBondContact NE-O 2.93Å; Y985-H1002 WeakPolarHBondContact CB-ND1 3.12Å; Y985-H1002 HydrophobicContact CD1-CB 4.38Å; T986-H1002 CarbonylContact O-C 3.55Å; T986-H1002 VanDerWaalsContact O-CA 3.26Å; T986-H1002 WeakPolarHBondContact O-CA 3.43Å; T986-H1002 WeakPolarHBondContact O-CB 3.09Å; V995-H1002 WeakPolarHBondContact CG2-CE1 3.5Å; A997-H1002 PolarHBondContact O-CE1 2.86Å; A997-H1002 VanDerWaalsContact O-CE1 3.3Å; A997-H1002 PolarHBondContact O-ND1 2.97Å; K999-H1002 PolarHBondContact N-ND1 3.35Å; K999-H1002 WeakPolarHBondContact O-CB 3.42Å; K999-H1002 PolarHBondContact O-N 2.71Å | ||
| 1003 | M | 88.5 | Confident | 87.4 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | trans | -98.9 | -13.2 | 179.7 | -58.4 | -162.1 | -47.6 | 0 | 0 | 112.8 | F930 R931 W937 T986 V987 Y1001 | F930-M1003 CarbonylContact C-O 3.58Å; F930-M1003 WeakPolarHBondContact CA-O 3.31Å; R931-M1003 PolarHBondContact N-O 2.77Å; R931-M1003 WeakPolarHBondContact O-CA 3.44Å; R931-M1003 VanDerWaalsContact O-CB 3.3Å; R931-M1003 WeakPolarHBondContact O-CB 3.31Å; W937-M1003 WeakPolarHBondContact CZ3-O 3.11Å; T986-M1003 PolarHBondContact O-N 2.87Å; V987-M1003 WeakPolarHBondContact O-CB 3.29Å; Y1001-M1003 PolarHBondContact O-N 3.42Å | ||
| 1004 | F | 90.6 | Very high | 87.2 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144 | 178.7 | -70.2 | -91.2 | 0 | 0 | 0 | 110.5 | E929 F930 T986 A989 | E929-F1004 WeakPolarHBondContact O-CA 3.48Å; F930-F1004 HydrophobicContact CB-CD1 3.8Å; F930-F1004 HydrophobicContact CB-CE1 3.64Å; F930-F1004 HydrophobicContact CB-CZ 4.27Å; T986-F1004 HydrophobicContact CG2-CB 3.84Å; T986-F1004 PolarHBondContact N-O 2.83Å; T986-F1004 PolarHBondContact O-N 3.36Å; T986-F1004 VanDerWaalsContact O-O 3.11Å; A989-F1004 HydrophobicContact CB-CB 4.42Å; A989-F1004 HydrophobicContact CB-CD1 3.86Å; A989-F1004 HydrophobicContact CB-CD2 4.45Å; A989-F1004 HydrophobicContact CB-CE1 4.2Å; A989-F1004 HydrophobicContact CB-CG 3.99Å |
| 1005 | R | 92.2 | Very high | 86.1 | Confident | 31 Ų | 31 | 53 Ų | 53 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.3 | 167 | 70.8 | 177.2 | -174.4 | 164.7 | 1.6 | 110.4 | E929 W937 F983 E984 Y985 | E929-R1005 HydrophobicContact CB-CG 3.92Å; E929-R1005 PolarHBondContact N-O 2.79Å; E929-R1005 PolarHBondContact O-N 3.02Å; E929-R1005 VanDerWaalsContact O-O 3.1Å; E929-R1005 IonicContact OE2-CZ 3.75Å; E929-R1005 VanDerWaalsContact OE2-CZ 3.23Å; E929-R1005 IonicContact OE2-NE 3.25Å; E929-R1005 PolarHBondContact OE2-NE 3.33Å; E929-R1005 IonicContact OE2-NH2 3.22Å; E929-R1005 PolarHBondContact OE2-NH2 2.73Å; W937-R1005 HydrophobicContact CD2-CG 3.92Å; W937-R1005 HydrophobicContact CE3-CB 4.47Å; W937-R1005 HydrophobicContact CE3-CG 3.7Å; W937-R1005 HydrophobicContact CH2-CB 3.86Å; W937-R1005 HydrophobicContact CH2-CG 3.97Å; W937-R1005 HydrophobicContact CZ2-CB 4.22Å; W937-R1005 HydrophobicContact CZ2-CG 4.17Å; W937-R1005 HydrophobicContact CZ3-CB 3.99Å; W937-R1005 HydrophobicContact CZ3-CG 3.72Å; F983-R1005 HydrophobicContact CB-CB 4.4Å; F983-R1005 HydrophobicContact CB-CG 4.5Å; F983-R1005 HydrophobicContact CD1-CB 4.01Å; F983-R1005 VanDerWaalsContact CD1-CD 3.48Å; F983-R1005 HydrophobicContact CD1-CG 3.49Å; F983-R1005 VanDerWaalsContact CD1-CG 3.49Å; F983-R1005 HydrophobicContact CE1-CG 3.87Å; F983-R1005 HydrophobicContact CG-CG 4.15Å; E984-R1005 CarbonylContact O-C 3.5Å; E984-R1005 WeakPolarHBondContact O-CA 3.46Å; E984-R1005 WeakPolarHBondContact O-CB 3.09Å; Y985-R1005 HydrophobicContact CD1-CB 3.63Å; Y985-R1005 HydrophobicContact CE1-CB 3.89Å; Y985-R1005 HydrophobicContact CE1-CG 4.39Å; Y985-R1005 HydrophobicContact CG-CB 4.26Å |
| 1006 | R | 92.6 | Very high | 84.8 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.8 | 175.5 | 69.7 | -175.9 | -175 | 176.2 | -0.5 | 110.8 | F926 Y927 N928 A947 F983 E984 Y994 | F926-R1006 HydrophobicContact CD1-CB 4.4Å; F926-R1006 VanDerWaalsContact CD1-CD 3.5Å; F926-R1006 HydrophobicContact CD1-CG 3.88Å; Y927-R1006 CarbonylContact O-C 3.33Å; Y927-R1006 WeakPolarHBondContact O-CA 3.25Å; N928-R1006 WeakPolarHBondContact OD1-CB 3.3Å; A947-R1006 PolarHBondContact O-NH1 3.45Å; A947-R1006 VanDerWaalsContact O-NH1 3.15Å; F983-R1006 CarbonylContact C-O 3.57Å; F983-R1006 WeakPolarHBondContact CA-O 3.35Å; E984-R1006 HydrophobicContact CB-CG 4.44Å; E984-R1006 PolarHBondContact N-O 2.89Å; E984-R1006 PolarHBondContact O-N 2.98Å; E984-R1006 IonicContact OE2-CZ 3.16Å; E984-R1006 IonicContact OE2-NE 2.7Å; E984-R1006 PolarHBondContact OE2-NE 2.8Å; E984-R1006 IonicContact OE2-NH2 2.71Å; E984-R1006 PolarHBondContact OE2-NH2 3.27Å; Y994-R1006 HydrophobicContact CD1-CG 3.9Å; Y994-R1006 VanDerWaalsContact CD2-CZ 3.42Å; Y994-R1006 HydrophobicContact CE1-CB 4.35Å; Y994-R1006 VanDerWaalsContact CE1-CD 3.46Å; Y994-R1006 HydrophobicContact CE1-CG 3.6Å |
| 1007 | R | 91.7 | Very high | 83.1 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 24% | 0.238 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.5 | 168.2 | 66.6 | -175 | 173.2 | -173.4 | -9.5 | 109.7 | F926 Y927 G982 F983 | F926-R1007 WeakPolarHBondContact CA-O 3.42Å; Y927-R1007 HydrophobicContact CD1-CG 3.88Å; Y927-R1007 VanDerWaalsContact CD1-CZ 3.47Å; Y927-R1007 HydrophobicContact CG-CG 4.35Å; Y927-R1007 PolarHBondContact N-O 3.26Å; Y927-R1007 PolarHBondContact O-N 2.66Å; G982-R1007 WeakPolarHBondContact O-CA 3.24Å; G982-R1007 WeakPolarHBondContact O-CB 3.38Å; F983-R1007 HydrophobicContact CD1-CB 3.98Å; F983-R1007 HydrophobicContact CE1-CB 4.12Å; F983-R1007 HydrophobicContact CE1-CG 4.19Å; F983-R1007 HydrophobicContact CG-CB 4.29Å; F983-R1007 HydrophobicContact CZ-CG 4.45Å |
| 1008 | R | 91.9 | Very high | 81 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.8 | 175.4 | -170.7 | 178.5 | -175.4 | -129.7 | 4.4 | 109.4 | E924 F926 D973 I1010 | E924-R1008 IonicContact OE2-CZ 3.18Å; E924-R1008 VanDerWaalsContact OE2-CZ 3.25Å; E924-R1008 IonicContact OE2-NE 3.41Å; E924-R1008 PolarHBondContact OE2-NE 2.95Å; E924-R1008 IonicContact OE2-NH2 2.76Å; E924-R1008 PolarHBondContact OE2-NH2 3.24Å; F926-R1008 HydrophobicContact CD1-CB 4.04Å; F926-R1008 HydrophobicContact CD1-CG 4.41Å; F926-R1008 HydrophobicContact CE1-CB 3.63Å; F926-R1008 HydrophobicContact CE1-CG 3.82Å; F926-R1008 HydrophobicContact CE2-CG 3.95Å; F926-R1008 HydrophobicContact CZ-CB 3.94Å; F926-R1008 HydrophobicContact CZ-CG 3.57Å; D973-R1008 HydrophobicContact CB-CB 4.22Å; D973-R1008 HydrophobicContact CB-CG 4.26Å; D973-R1008 PolarHBondContact N-O 2.9Å; D973-R1008 WeakPolarHBondContact OD2-CD 3.08Å; D973-R1008 IonicContact OD2-CZ 3.6Å; D973-R1008 IonicContact OD2-NE 3.95Å; D973-R1008 IonicContact OD2-NH1 3.39Å; D973-R1008 PolarHBondContact OD2-NH1 3.01Å; R1008-I1010 HydrophobicContact CG-CG2 4.13Å |
| 1009 | L | 91.3 | Very high | 79 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.7 | 167.3 | -56.6 | 172.4 | 0 | 0 | 0 | 108 | E924 L925 Y944 P955 W970 K971 I972 | E924-L1009 WeakPolarHBondContact CA-O 3.17Å; L925-L1009 HydrophobicContact CD2-CD1 4.45Å; L925-L1009 PolarHBondContact N-O 2.78Å; L925-L1009 WeakPolarHBondContact O-CA 3.21Å; L925-L1009 WeakPolarHBondContact O-CB 3.29Å; L925-L1009 PolarHBondContact O-N 2.9Å; Y944-L1009 HydrophobicContact CE1-CD1 4.31Å; P955-L1009 HydrophobicContact CG-CD1 3.93Å; W970-L1009 HydrophobicContact CE3-CB 3.75Å; W970-L1009 HydrophobicContact CZ3-CB 4.21Å; K971-L1009 CarbonylContact O-C 3.59Å; K971-L1009 WeakPolarHBondContact O-CA 3.19Å; I972-L1009 HydrophobicContact CG1-CD2 3.87Å |
| 1010 | I | 88.8 | Confident | 76.8 | Confident | 41 Ų | 41 | 54 Ų | 54 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146 | 176.9 | 55.9 | 171.2 | 0 | 0 | 0 | 111 | V922 E923 E924 W970 K971 D973 R1008 | V922-I1010 HydrophobicContact CG1-CB 3.71Å; V922-I1010 HydrophobicContact CG1-CG2 3.86Å; E923-I1010 WeakPolarHBondContact O-CA 3.4Å; E924-I1010 HydrophobicContact CB-CG2 4.4Å; W970-I1010 WeakPolarHBondContact CA-O 3.16Å; W970-I1010 VanDerWaalsContact CE3-C 3.47Å; K971-I1010 PolarHBondContact N-O 2.76Å; K971-I1010 PolarHBondContact O-N 2.92Å; D973-I1010 HydrophobicContact CB-CD1 3.89Å; D973-I1010 HydrophobicContact CB-CG1 4.05Å; D973-I1010 HydrophobicContact CB-CG2 4.11Å; R1008-I1010 HydrophobicContact CG-CG2 4.13Å |
| 1011 | R | 89.1 | Confident | 74.8 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 132.2 | 172.2 | -175.4 | 171.4 | 63.6 | 178.6 | -5.2 | 110.5 | E923 W966 D968 W970 | E923-R1011 PolarHBondContact N-O 3.05Å; E923-R1011 PolarHBondContact O-N 3.09Å; W966-R1011 HydrophobicContact CD2-CG 4.48Å; W966-R1011 VanDerWaalsContact CD2-CZ 3.47Å; W966-R1011 VanDerWaalsContact CD2-NE 3.32Å; W966-R1011 HydrophobicContact CE3-CG 3.81Å; W966-R1011 HydrophobicContact CZ3-CG 4.26Å; D968-R1011 HydrophobicContact CB-CG 4.47Å; D968-R1011 WeakPolarHBondContact O-CD 3.33Å; D968-R1011 WeakPolarHBondContact O-CG 3.25Å; W970-R1011 HydrophobicContact CD2-CB 3.62Å; W970-R1011 HydrophobicContact CE3-CB 3.67Å; W970-R1011 HydrophobicContact CG-CB 4.07Å; W970-R1011 HydrophobicContact CH2-CB 4.38Å; W970-R1011 HydrophobicContact CZ2-CB 4.36Å; W970-R1011 HydrophobicContact CZ3-CB 4.05Å |
| 1012 | S | 83.8 | Confident | 72.8 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.5 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 112 | A967 | A967-S1012 PolarHBondContact N-O 3.21Å |
| 1013 | R | 82.4 | Confident | 70.6 | Confident | 9 Ų | 9 | 54 Ų | 54 | 3% | 0.034 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.8 | 163.7 | 50.6 | 176.8 | 171 | 109.3 | -4.9 | 110.8 | D915 S920 F921 E923 L960 W964 T965 W966 | D915-R1013 IonicContact OD2-CZ 3.82Å; D915-R1013 VanDerWaalsContact OD2-CZ 3.25Å; D915-R1013 IonicContact OD2-NH1 3.74Å; D915-R1013 PolarHBondContact OD2-NH1 3.25Å; D915-R1013 IonicContact OD2-NH2 2.69Å; D915-R1013 PolarHBondContact OD2-NH2 2.84Å; S920-R1013 CarbonylContact C-O 3.57Å; S920-R1013 WeakPolarHBondContact CA-O 3.2Å; F921-R1013 HydrophobicContact CB-CG 4.09Å; F921-R1013 VanDerWaalsContact CD1-NH2 3.3Å; F921-R1013 PolarHBondContact N-O 2.86Å; F921-R1013 WeakPolarHBondContact O-CG 3.22Å; F921-R1013 PolarHBondContact O-N 3.32Å; E923-R1013 IonicContact OE2-CZ 3.25Å; E923-R1013 IonicContact OE2-NE 2.85Å; E923-R1013 PolarHBondContact OE2-NE 3.27Å; E923-R1013 IonicContact OE2-NH2 3.95Å; E923-R1013 PolarHBondContact OE2-NH2 3.42Å; L960-R1013 HydrophobicContact CD2-CB 4.18Å; W964-R1013 HydrophobicContact CD2-CG 4.27Å; W964-R1013 VanDerWaalsContact CD2-NH1 3.26Å; W964-R1013 HydrophobicContact CE3-CB 3.81Å; W964-R1013 HydrophobicContact CE3-CG 3.57Å; W964-R1013 HydrophobicContact CZ3-CB 4.48Å; W964-R1013 HydrophobicContact CZ3-CG 3.98Å; W964-R1013 WeakPolarHBondContact CZ3-O 3.41Å; T965-R1013 CarbonylContact O-C 3.57Å; T965-R1013 WeakPolarHBondContact O-CA 3.49Å; T965-R1013 VanDerWaalsContact O-CB 3.27Å; T965-R1013 WeakPolarHBondContact O-CB 3.1Å; W966-R1013 HydrophobicContact CE3-CB 3.68Å; W966-R1013 HydrophobicContact CE3-CG 4.4Å; W966-R1013 HydrophobicContact CZ3-CB 3.75Å; W966-R1013 HydrophobicContact CZ3-CG 3.96Å |
| 1014 | I | 71.2 | Confident | 68.6 | Low | 47 Ų | 47 | 55.3 Ų | 55.3 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.9 | 176.8 | -65.1 | 167.3 | 0 | 0 | 0 | 108.7 | T919 W964 T965 A967 | T919-I1014 WeakPolarHBondContact O-CA 3.23Å; W964-I1014 CarbonylContact C-O 3.47Å; W964-I1014 WeakPolarHBondContact CA-O 3.28Å; T965-I1014 PolarHBondContact N-O 2.84Å; T965-I1014 PolarHBondContact O-N 2.9Å; T965-I1014 PolarHBondContact OG1-O 2.85Å; A967-I1014 HydrophobicContact CB-CD1 3.59Å; A967-I1014 HydrophobicContact CB-CG1 3.93Å |
| 1015 | L | 63.2 | Low | 66.4 | Low | 32 Ų | 32 | 61 Ų | 61 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 126.2 | 179.7 | -177.8 | 61.2 | 0 | 0 | 0 | 109.9 | T919 W964 V1022 | T919-L1015 PolarHBondContact O-N 2.79Å; W964-L1015 HydrophobicContact CD2-CB 3.99Å; W964-L1015 HydrophobicContact CD2-CD1 4.04Å; W964-L1015 HydrophobicContact CE3-CB 3.94Å; W964-L1015 HydrophobicContact CG-CD1 4.14Å; W964-L1015 HydrophobicContact CH2-CB 3.97Å; W964-L1015 HydrophobicContact CZ2-CB 4.01Å; W964-L1015 HydrophobicContact CZ2-CD1 4.24Å; W964-L1015 HydrophobicContact CZ2-CD2 4.22Å; W964-L1015 HydrophobicContact CZ2-CG 4.39Å; W964-L1015 HydrophobicContact CZ3-CB 3.93Å; L1015-V1022 HydrophobicContact CD1-CB 4.06Å; L1015-V1022 HydrophobicContact CD1-CG1 4.19Å; L1015-V1022 HydrophobicContact CD1-CG2 3.97Å; L1015-V1022 HydrophobicContact CD2-CB 3.85Å; L1015-V1022 HydrophobicContact CD2-CG2 4.3Å; L1015-V1022 HydrophobicContact CG-CB 3.77Å; L1015-V1022 HydrophobicContact CG-CG1 4.44Å; L1015-V1022 HydrophobicContact CG-CG2 3.67Å |
| 1016 | G | 59.2 | Low | 64.2 | Low | 15 Ų | 15 | 66.1 Ų | 66.1 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 79.5 | -171.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | G963 | G963-G1016 PolarHBondContact O-N 2.94Š|
| 1017 | D | 52 | Low | 62.4 | Low | 134 Ų | 134 | 66.3 Ų | 66.3 | 72% | 0.717 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -66.1 | 146.1 | 155.5 | -79.8 | -37.4 | 0 | 0 | 0 | 108.6 | G1019 V1020 | D1017-G1019 PolarHBondContact O-N 3.02Å; D1017-V1020 HydrophobicContact CB-CG2 4.33Å; D1017-V1020 PolarHBondContact O-N 2.92Å |
| 1018 | V | 43.8 | Very low | 60.8 | Low | 110 Ų | 110 | 67 Ų | 67 | 67% | 0.667 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 110.8 | -173.5 | -178 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1019 | G | 43.5 | Very low | 59.1 | Low | 38 Ų | 38 | 66 Ų | 66 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 21.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | D1017 | D1017-G1019 PolarHBondContact O-N 3.02Š|
| 1020 | V | 41.9 | Very low | 57.5 | Low | 69 Ų | 69 | 71.8 Ų | 71.8 | 42% | 0.418 | 40% | 0.397 | S | S | . | . | trans | -111.2 | 113.5 | 172.1 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | D1017 | D1017-V1020 HydrophobicContact CB-CG2 4.33Å; D1017-V1020 PolarHBondContact O-N 2.92Å | ||
| 1021 | P | 41.2 | Very low | 56 | Low | 61 Ų | 61 | 76.6 Ų | 76.6 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | trans | -58.6 | 137.9 | 170.1 | -22.2 | 33.6 | 0 | 0 | 0 | 111.3 | ||||
| 1022 | V | 42.2 | Very low | 54.4 | Low | 66 Ų | 66 | 78.4 Ų | 78.4 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | trans | -106.8 | 140.5 | -179.7 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | L1015 Q1024 | L1015-V1022 HydrophobicContact CD1-CB 4.06Å; L1015-V1022 HydrophobicContact CD1-CG1 4.19Å; L1015-V1022 HydrophobicContact CD1-CG2 3.97Å; L1015-V1022 HydrophobicContact CD2-CB 3.85Å; L1015-V1022 HydrophobicContact CD2-CG2 4.3Å; L1015-V1022 HydrophobicContact CG-CB 3.77Å; L1015-V1022 HydrophobicContact CG-CG1 4.44Å; L1015-V1022 HydrophobicContact CG-CG2 3.67Å; V1022-Q1024 PolarHBondContact O-N 3.27Å | ||
| 1023 | K | 42.4 | Very low | 53.2 | Low | 148 Ų | 148 | 82 Ų | 82 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | trans | -53.7 | 125.4 | 176.4 | -65.4 | -177.3 | 171.2 | -170.5 | 0 | 111.5 | E1025 | K1023-E1025 PolarHBondContact O-N 2.87Š| ||
| 1024 | Q | 46.4 | Very low | 52.8 | Low | 96 Ų | 96 | 87.1 Ų | 87.1 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -71.1 | 4.8 | -170.1 | -82.1 | -175.4 | -0.8 | 0 | 0 | 116.5 | V1022 Q1026 S1027 | V1022-Q1024 PolarHBondContact O-N 3.27Å; Q1024-Q1026 PolarHBondContact O-N 2.66Å; Q1024-S1027 PolarHBondContact O-N 3.39Å |
| 1025 | E | 42.7 | Very low | 53.3 | Low | 168 Ų | 168 | 85.5 Ų | 85.5 | 79% | 0.785 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 9.8 | -169.7 | -65.6 | -177.9 | 162.7 | 0 | 0 | 116.4 | K1023 | K1023-E1025 PolarHBondContact O-N 2.87Š|
| 1026 | Q | 46.6 | Very low | 54.6 | Low | 140 Ų | 140 | 84.6 Ų | 84.6 | 65% | 0.654 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.2 | 18.4 | -177.9 | -60.7 | -170.1 | 3.6 | 0 | 0 | 114.8 | K913 Q1024 | K913-Q1026 PolarHBondContact NZ-O 2.87Å; Q1024-Q1026 PolarHBondContact O-N 2.66Å |
| 1027 | S | 54.2 | Low | 56 | Low | 27 Ų | 27 | 84 Ų | 84 | 19% | 0.189 | 47% | 0.471 | C | S | . | . | trans | -73.6 | -28.4 | 179.5 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | K913 Q1024 | K913-S1027 WeakPolarHBondContact CD-O 3.24Å; K913-S1027 WeakPolarHBondContact CG-O 3.23Å; K913-S1027 PolarHBondContact N-O 2.92Å; Q1024-S1027 PolarHBondContact O-N 3.39Å | ||
| 1028 | L | 58 | Low | 57.7 | Low | 79 Ų | 79 | 78.7 Ų | 78.7 | 41% | 0.414 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -76.6 | 142.5 | 177.6 | -61.1 | 169.1 | 0 | 0 | 0 | 111.5 | L908 L911 Y912 K913 | L908-L1028 HydrophobicContact CD2-CD2 4.31Å; L911-L1028 HydrophobicContact CB-CD2 3.64Å; L911-L1028 CarbonylContact O-C 3.55Å; L911-L1028 WeakPolarHBondContact O-CA 3.47Å; Y912-L1028 HydrophobicContact CD2-CD2 3.9Å; Y912-L1028 HydrophobicContact CE2-CD2 3.84Å; K913-L1028 WeakPolarHBondContact CE-O 3.36Å |
| 1029 | S | 56.8 | Low | 59.8 | Low | 32 Ų | 32 | 73.5 Ų | 73.5 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 140.1 | 161.1 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | L911 E1031 | L911-S1029 PolarHBondContact O-N 2.72Å; L911-S1029 PolarHBondContact O-OG 3.01Å; S1029-E1031 PolarHBondContact O-N 3.34Å |
| 1030 | T | 59 | Low | 61.6 | Low | 138 Ų | 138 | 76.8 Ų | 76.8 | 85% | 0.847 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 130.8 | 165.8 | 16.1 | 0 | 0 | 0 | 0 | 110.2 | P1032 | T1030-P1032 WeakPolarHBondContact O-CD 3.34Š|
| 1031 | E | 56 | Low | 63.6 | Low | 141 Ų | 141 | 76.3 Ų | 76.3 | 66% | 0.659 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 119.4 | 178.9 | -64.2 | -173.9 | 147.1 | 0 | 0 | 110.2 | S1029 A1033 | S1029-E1031 PolarHBondContact O-N 3.34Å; E1031-A1033 PolarHBondContact O-N 3.25Å |
| 1032 | P | 56.7 | Low | 65.5 | Low | 58 Ų | 58 | 74.3 Ų | 74.3 | 38% | 0.377 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 132 | 167.5 | 27 | -29.6 | 0 | 0 | 0 | 107.7 | T1030 E1034 A1035 | T1030-P1032 WeakPolarHBondContact O-CD 3.34Å; P1032-E1034 PolarHBondContact O-N 2.89Å; P1032-A1035 PolarHBondContact O-N 3.03Å |
| 1033 | A | 58.3 | Low | 67.2 | Low | 114 Ų | 114 | 76.4 Ų | 76.4 | 94% | 0.942 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -15.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1031 | E1031-A1033 PolarHBondContact O-N 3.25Š|
| 1034 | E | 73 | Confident | 68.8 | Low | 116 Ų | 116 | 71.3 Ų | 71.3 | 54% | 0.542 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -14.3 | 174.8 | -72.4 | -163.5 | -148.4 | 0 | 0 | 115.4 | P1032 W1036 R1059 | P1032-E1034 PolarHBondContact O-N 2.89Å; E1034-W1036 PolarHBondContact O-N 3.07Å; E1034-W1036 PolarHBondContact OE2-NE1 3.11Å; E1034-R1059 WeakPolarHBondContact O-CD 3.42Å; E1034-R1059 PolarHBondContact O-NH1 3.21Å; E1034-R1059 VanDerWaalsContact O-NH1 3.13Å; E1034-R1059 IonicContact OE2-NH1 2.7Å; E1034-R1059 PolarHBondContact OE2-NH1 3.03Å |
| 1035 | A | 82.3 | Confident | 70.2 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 12% | 0.116 | 39% | 0.385 | C | S | . | . | trans | 41.9 | 56.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | V904 P906 P1032 | V904-A1035 HydrophobicContact CG1-CB 3.74Å; P906-A1035 HydrophobicContact CB-CB 4.19Å; P906-A1035 HydrophobicContact CG-CB 4.33Å; P1032-A1035 PolarHBondContact O-N 3.03Å | ||
| 1036 | W | 90.2 | Very high | 72.2 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 5% | 0.045 | 35% | 0.352 | C | S | . | . | trans | -79.7 | 141 | 167.4 | -72.1 | 102.7 | 0 | 0 | 0 | 112.1 | E855 Q857 E1034 Y1038 R1057 R1059 | E855-W1036 HydrophobicContact CB-CH2 4.49Å; E855-W1036 HydrophobicContact CG-CH2 3.94Å; E855-W1036 HydrophobicContact CG-CZ3 4.46Å; Q857-W1036 VanDerWaalsContact CD-CH2 3.46Å; Q857-W1036 HydrophobicContact CG-CH2 3.99Å; Q857-W1036 HydrophobicContact CG-CZ3 4.22Å; Q857-W1036 VanDerWaalsContact NE2-CH2 3.32Å; E1034-W1036 PolarHBondContact O-N 3.07Å; E1034-W1036 PolarHBondContact OE2-NE1 3.11Å; W1036-Y1038 HydrophobicContact CB-CD2 4.41Å; W1036-Y1038 HydrophobicContact CB-CE2 3.64Å; W1036-R1057 HydrophobicContact CD2-CG 4.28Å; W1036-R1057 HydrophobicContact CE3-CB 4.23Å; W1036-R1057 HydrophobicContact CE3-CG 3.64Å; W1036-R1057 HydrophobicContact CZ3-CG 4.01Å; W1036-R1059 HydrophobicContact CD2-CB 4.18Å; W1036-R1059 HydrophobicContact CE3-CB 3.7Å; W1036-R1059 HydrophobicContact CH2-CB 4.28Å; W1036-R1059 VanDerWaalsContact CZ2-CZ 3.46Å; W1036-R1059 HydrophobicContact CZ3-CB 3.76Å | ||
| 1037 | E | 89.2 | Confident | 73.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.019 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125 | 172.7 | -51.5 | 176 | -164.3 | 0 | 0 | 108.6 | L910 F1046 R1057 R1058 | L910-E1037 HydrophobicContact CD1-CB 4.26Å; L910-E1037 HydrophobicContact CD1-CG 3.58Å; E1037-F1046 HydrophobicContact CB-CB 4.16Å; E1037-F1046 HydrophobicContact CB-CD1 3.85Å; E1037-F1046 HydrophobicContact CB-CG 4.33Å; E1037-R1057 CarbonylContact O-C 3.52Å; E1037-R1057 WeakPolarHBondContact O-CA 3.49Å; E1037-R1057 VanDerWaalsContact O-CB 3.3Å; E1037-R1057 WeakPolarHBondContact O-CB 3.44Å; E1037-R1058 HydrophobicContact CB-CG 4.01Å; E1037-R1058 WeakPolarHBondContact CB-O 3.44Å; E1037-R1058 PolarHBondContact N-O 3.17Å; E1037-R1058 PolarHBondContact O-N 3.33Å; E1037-R1058 IonicContact OE2-CZ 3.76Å; E1037-R1058 VanDerWaalsContact OE2-CZ 3.28Å; E1037-R1058 IonicContact OE2-NE 3.27Å; E1037-R1058 PolarHBondContact OE2-NE 2.95Å; E1037-R1058 IonicContact OE2-NH2 3.58Å; E1037-R1058 PolarHBondContact OE2-NH2 3.01Å |
| 1038 | Y | 88.3 | Confident | 74.9 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 151.4 | -175.4 | -59.4 | -97.1 | 0 | 0 | 0 | 112.2 | W864 W1036 F1046 H1047 E1050 D1054 R1057 | W864-Y1038 AromaticContact CE2-CE1 3.99Å; W864-Y1038 HydrophobicContact CH2-CD1 4.01Å; W864-Y1038 HydrophobicContact CH2-CE1 4.44Å; W864-Y1038 AromaticContact CZ2-CD1 3.64Å; W864-Y1038 HydrophobicContact CZ2-CD1 3.64Å; W864-Y1038 AromaticContact CZ2-CE1 3.71Å; W864-Y1038 HydrophobicContact CZ2-CE1 3.71Å; W1036-Y1038 HydrophobicContact CB-CD2 4.41Å; W1036-Y1038 HydrophobicContact CB-CE2 3.64Å; Y1038-F1046 CarbonylContact O-C 3.49Å; Y1038-F1046 VanDerWaalsContact O-CA 3.24Å; Y1038-F1046 WeakPolarHBondContact O-CA 3.32Å; Y1038-H1047 PolarHBondContact N-O 3.2Å; Y1038-H1047 PolarHBondContact O-CD2 2.86Å; Y1038-H1047 PolarHBondContact O-N 3.03Å; Y1038-E1050 HydrophobicContact CD1-CB 3.77Å; Y1038-E1050 HydrophobicContact CD1-CG 3.68Å; Y1038-E1050 HydrophobicContact CD2-CB 4.18Å; Y1038-E1050 HydrophobicContact CE1-CB 3.61Å; Y1038-E1050 VanDerWaalsContact CE1-CD 3.46Å; Y1038-E1050 HydrophobicContact CE1-CG 3.55Å; Y1038-E1050 VanDerWaalsContact CE1-OE2 3.27Å; Y1038-E1050 WeakPolarHBondContact CE1-OE2 3.37Å; Y1038-E1050 HydrophobicContact CE2-CB 4.03Å; Y1038-E1050 HydrophobicContact CG-CB 4.06Å; Y1038-E1050 HydrophobicContact CG-CG 4.41Å; Y1038-E1050 PolarHBondContact OH-OE2 3.16Å; Y1038-D1054 VanDerWaalsContact CB-OD2 3.26Å; Y1038-D1054 WeakPolarHBondContact CB-OD2 3.32Å; Y1038-R1057 HydrophobicContact CD1-CB 3.67Å; Y1038-R1057 HydrophobicContact CD1-CG 4.49Å; Y1038-R1057 HydrophobicContact CE1-CB 3.98Å; Y1038-R1057 VanDerWaalsContact CE1-CD 3.47Å; Y1038-R1057 HydrophobicContact CE1-CG 4.37Å; Y1038-R1057 HydrophobicContact CG-CB 4.19Å; Y1038-R1057 PolarHBondContact OH-NH1 3.35Å |
| 1039 | A | 86.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 161.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1041 F1046 D1054 M1055 V1056 | A1039-N1041 WeakPolarHBondContact CB-O 3.06Å; A1039-F1046 HydrophobicContact CB-CD1 3.72Å; A1039-F1046 HydrophobicContact CB-CD2 4.34Å; A1039-F1046 HydrophobicContact CB-CE1 3.78Å; A1039-F1046 HydrophobicContact CB-CE2 4.39Å; A1039-F1046 HydrophobicContact CB-CG 4.02Å; A1039-F1046 HydrophobicContact CB-CZ 4.13Å; A1039-D1054 WeakPolarHBondContact O-CA 3.3Å; A1039-M1055 PolarHBondContact O-N 2.87Å; A1039-M1055 VanDerWaalsContact O-N 3.13Å; A1039-V1056 HydrophobicContact CB-CG2 3.97Å; A1039-V1056 PolarHBondContact N-O 2.8Å; A1039-V1056 WeakPolarHBondContact O-CG2 3.21Å; A1039-V1056 PolarHBondContact O-N 2.89Å; A1039-V1056 VanDerWaalsContact O-O 3.09Å |
| 1040 | F | 81.6 | Confident | 77.2 | Confident | 108 Ų | 108 | 67.1 Ų | 67.1 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -58.2 | -46.5 | 169.6 | 178.4 | -102.6 | 0 | 0 | 0 | 111.9 | V1053 M1055 | F1040-V1053 HydrophobicContact CD2-CB 4.36Å; F1040-V1053 VanDerWaalsContact CD2-O 3.27Å; F1040-V1053 WeakPolarHBondContact CD2-O 3.35Å; F1040-M1055 HydrophobicContact CE2-CG 4.5Å; F1040-M1055 HydrophobicContact CE2-SD 4.2Å; F1040-M1055 HydrophobicContact CZ-SD 4.39Å; F1040-M1055 WeakPolarHBondContact O-CB 3.43Å; F1040-M1055 WeakPolarHBondContact O-CG 3.42Å; F1040-M1055 PolarHBondContact O-N 2.87Å |
| 1041 | N | 83.3 | Confident | 78.1 | Confident | 58 Ų | 58 | 64 Ų | 64 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -149.2 | 171.5 | 171.6 | 66.2 | 39.3 | 0 | 0 | 0 | 110.7 | A1039 D1043 S1044 V1056 | A1039-N1041 WeakPolarHBondContact CB-O 3.06Å; N1041-D1043 PolarHBondContact O-N 2.9Å; N1041-D1043 VanDerWaalsContact O-N 3.14Å; N1041-D1043 PolarHBondContact OD1-N 3.13Å; N1041-S1044 VanDerWaalsContact CG-OG 3.3Å; N1041-S1044 WeakPolarHBondContact O-CB 3.24Å; N1041-S1044 PolarHBondContact O-N 3.2Å; N1041-S1044 VanDerWaalsContact O-N 3.1Å; N1041-S1044 PolarHBondContact OD1-N 2.79Å; N1041-S1044 PolarHBondContact OD1-OG 2.65Å; N1041-V1056 VanDerWaalsContact C-CG2 3.41Å |
| 1042 | F | 82.2 | Confident | 79 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.6 | -176.1 | -79.6 | -78.4 | 0 | 0 | 0 | 114.9 | N856 L871 R873 F1046 V1056 | N856-F1042 HydrophobicContact CB-CE1 4.11Å; N856-F1042 HydrophobicContact CB-CZ 3.94Å; L871-F1042 HydrophobicContact CD1-CE2 3.85Å; L871-F1042 HydrophobicContact CD1-CZ 3.79Å; R873-F1042 HydrophobicContact CB-CD2 4.14Å; R873-F1042 HydrophobicContact CB-CE1 4.32Å; R873-F1042 HydrophobicContact CB-CE2 3.89Å; R873-F1042 HydrophobicContact CB-CG 4.48Å; R873-F1042 HydrophobicContact CB-CZ 4.01Å; R873-F1042 HydrophobicContact CG-CB 4.16Å; R873-F1042 HydrophobicContact CG-CD1 3.91Å; R873-F1042 HydrophobicContact CG-CD2 3.35Å; R873-F1042 HydrophobicContact CG-CE1 4.17Å; R873-F1042 HydrophobicContact CG-CE2 3.63Å; R873-F1042 HydrophobicContact CG-CG 3.52Å; R873-F1042 HydrophobicContact CG-CZ 4.06Å; F1042-F1046 HydrophobicContact CD1-CZ 4Å; F1042-F1046 HydrophobicContact CE1-CZ 4.47Å; F1042-V1056 HydrophobicContact CD1-CG2 4.47Å; F1042-V1056 HydrophobicContact CD2-CB 4.08Å; F1042-V1056 HydrophobicContact CD2-CG1 3.6Å; F1042-V1056 HydrophobicContact CD2-CG2 4.24Å; F1042-V1056 HydrophobicContact CE1-CB 4.41Å; F1042-V1056 HydrophobicContact CE2-CB 3.73Å; F1042-V1056 HydrophobicContact CE2-CG1 3.39Å; F1042-V1056 HydrophobicContact CE2-CG2 4.34Å; F1042-V1056 HydrophobicContact CG-CG1 4.44Å; F1042-V1056 HydrophobicContact CG-CG2 4.29Å; F1042-V1056 HydrophobicContact CZ-CB 3.89Å; F1042-V1056 HydrophobicContact CZ-CG1 4.08Å; F1042-V1056 HydrophobicContact CZ-CG2 4.47Å |
| 1043 | D | 76.6 | Confident | 80 | Confident | 110 Ų | 110 | 64.9 Ų | 64.9 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.7 | -178 | -50.4 | -59.7 | 0 | 0 | 0 | 111.2 | R873 N1041 | R873-D1043 VanDerWaalsContact NH2-CG 3.26Å; R873-D1043 IonicContact NH2-OD1 2.71Å; R873-D1043 PolarHBondContact NH2-OD1 3.17Å; R873-D1043 IonicContact NH2-OD2 2.85Å; R873-D1043 PolarHBondContact NH2-OD2 3.15Å; N1041-D1043 PolarHBondContact O-N 2.9Å; N1041-D1043 VanDerWaalsContact O-N 3.14Å; N1041-D1043 PolarHBondContact OD1-N 3.13Å |
| 1044 | S | 75.6 | Confident | 81.2 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -97.5 | 157.8 | 175.3 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | N1041 F1046 | N1041-S1044 VanDerWaalsContact CG-OG 3.3Å; N1041-S1044 WeakPolarHBondContact O-CB 3.24Å; N1041-S1044 PolarHBondContact O-N 3.2Å; N1041-S1044 VanDerWaalsContact O-N 3.1Å; N1041-S1044 PolarHBondContact OD1-N 2.79Å; N1041-S1044 PolarHBondContact OD1-OG 2.65Å; S1044-F1046 PolarHBondContact O-N 3.12Å |
| 1045 | K | 77.4 | Confident | 81.9 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 123 | 173.9 | -68.3 | -169.2 | -176 | -176.8 | 0 | 110.9 | S574 D575 | S574-K1045 PolarHBondContact O-NZ 3.47Å; D575-K1045 WeakPolarHBondContact O-CE 3.32Å |
| 1046 | F | 84.4 | Confident | 82.3 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 158 | 177.4 | -77.6 | -92.4 | 0 | 0 | 0 | 112.7 | L910 E1037 Y1038 A1039 F1042 S1044 V1056 R1058 | L910-F1046 VanDerWaalsContact CD2-O 3.29Å; L910-F1046 WeakPolarHBondContact CD2-O 3.44Å; E1037-F1046 HydrophobicContact CB-CB 4.16Å; E1037-F1046 HydrophobicContact CB-CD1 3.85Å; E1037-F1046 HydrophobicContact CB-CG 4.33Å; Y1038-F1046 CarbonylContact O-C 3.49Å; Y1038-F1046 VanDerWaalsContact O-CA 3.24Å; Y1038-F1046 WeakPolarHBondContact O-CA 3.32Å; A1039-F1046 HydrophobicContact CB-CD1 3.72Å; A1039-F1046 HydrophobicContact CB-CD2 4.34Å; A1039-F1046 HydrophobicContact CB-CE1 3.78Å; A1039-F1046 HydrophobicContact CB-CE2 4.39Å; A1039-F1046 HydrophobicContact CB-CG 4.02Å; A1039-F1046 HydrophobicContact CB-CZ 4.13Å; F1042-F1046 HydrophobicContact CD1-CZ 4Å; F1042-F1046 HydrophobicContact CE1-CZ 4.47Å; S1044-F1046 PolarHBondContact O-N 3.12Å; F1046-V1056 HydrophobicContact CE1-CG2 4.15Å; F1046-V1056 HydrophobicContact CZ-CG2 4.17Å; F1046-R1058 HydrophobicContact CD1-CG 4Å; F1046-R1058 HydrophobicContact CE1-CB 4.32Å; F1046-R1058 HydrophobicContact CE1-CG 3.63Å; F1046-R1058 HydrophobicContact CZ-CG 4.03Å |
| 1047 | H | 79.4 | Confident | 82.4 | Confident | 26 Ų | 26 | 60 Ų | 60 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -151.6 | 156.5 | 178 | 42.4 | 85.5 | 0 | 0 | 0 | 113 | Y1038 K1049 R1051 D1054 | Y1038-H1047 PolarHBondContact N-O 3.2Å; Y1038-H1047 PolarHBondContact O-CD2 2.86Å; Y1038-H1047 PolarHBondContact O-N 3.03Å; H1047-K1049 PolarHBondContact ND1-O 2.98Å; H1047-R1051 VanDerWaalsContact CD2-CZ 3.46Å; H1047-R1051 PolarHBondContact CD2-NH1 2.63Å; H1047-R1051 PolarHBondContact CD2-NH2 3.34Å; H1047-R1051 VanDerWaalsContact CE1-CD 3.49Å; H1047-R1051 WeakPolarHBondContact CE1-CD 3.24Å; H1047-R1051 VanDerWaalsContact CE1-CZ 3.42Å; H1047-R1051 PolarHBondContact CE1-NE 2.6Å; H1047-R1051 PolarHBondContact NE2-NH1 3.38Å; H1047-D1054 IonicContact CE1-OD1 3.9Å; H1047-D1054 PolarHBondContact CE1-OD1 2.81Å; H1047-D1054 VanDerWaalsContact CE1-OD1 3.25Å; H1047-D1054 IonicContact CE1-OD2 2.87Å; H1047-D1054 PolarHBondContact CE1-OD2 2.87Å; H1047-D1054 VanDerWaalsContact CE1-OD2 3.24Å; H1047-D1054 IonicContact NE2-OD1 3.78Å |
| 1048 | T | 78.6 | Confident | 82.6 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -75.4 | -22.8 | -174 | 43.4 | 0 | 0 | 0 | 0 | 115.7 | L910 L911 | L910-T1048 HydrophobicContact CB-CG2 4.05Å; L910-T1048 VanDerWaalsContact O-CG2 3.22Å; L910-T1048 WeakPolarHBondContact O-CG2 3.36Å; L910-T1048 PolarHBondContact O-OG1 3.3Å; L911-T1048 HydrophobicContact CD2-CG2 4.28Å |
| 1049 | K | 79.1 | Confident | 82.7 | Confident | 167 Ų | 167 | 62.1 Ų | 62.1 | 73% | 0.726 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -102.6 | 129.2 | 178.6 | -66.8 | -172.7 | 178.6 | -176 | 0 | 111 | H1047 | H1047-K1049 PolarHBondContact ND1-O 2.98Š|
| 1050 | E | 82.6 | Confident | 83 | Confident | 102 Ų | 102 | 62.9 Ų | 62.9 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | trans | -64.1 | 137.3 | 172.7 | -169.9 | 167.3 | 173.8 | 0 | 0 | 111.1 | W864 Y1038 | W864-E1050 HydrophobicContact CZ2-CG 4.21Å; W864-E1050 WeakPolarHBondContact CZ2-OE1 3.34Å; W864-E1050 PolarHBondContact NE1-OE1 2.96Å; Y1038-E1050 HydrophobicContact CD1-CB 3.77Å; Y1038-E1050 HydrophobicContact CD1-CG 3.68Å; Y1038-E1050 HydrophobicContact CD2-CB 4.18Å; Y1038-E1050 HydrophobicContact CE1-CB 3.61Å; Y1038-E1050 VanDerWaalsContact CE1-CD 3.46Å; Y1038-E1050 HydrophobicContact CE1-CG 3.55Å; Y1038-E1050 VanDerWaalsContact CE1-OE2 3.27Å; Y1038-E1050 WeakPolarHBondContact CE1-OE2 3.37Å; Y1038-E1050 HydrophobicContact CE2-CB 4.03Å; Y1038-E1050 HydrophobicContact CG-CB 4.06Å; Y1038-E1050 HydrophobicContact CG-CG 4.41Å; Y1038-E1050 PolarHBondContact OH-OE2 3.16Å | ||
| 1051 | R | 78.3 | Confident | 83.6 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 27% | 0.272 | 28% | 0.28 | S | S | . | . | trans | -124.8 | 153.1 | 176 | -54.8 | 176.2 | -174.3 | 154.7 | 5.6 | 108.9 | H1047 V1053 D1054 | H1047-R1051 VanDerWaalsContact CD2-CZ 3.46Å; H1047-R1051 PolarHBondContact CD2-NH1 2.63Å; H1047-R1051 PolarHBondContact CD2-NH2 3.34Å; H1047-R1051 VanDerWaalsContact CE1-CD 3.49Å; H1047-R1051 WeakPolarHBondContact CE1-CD 3.24Å; H1047-R1051 VanDerWaalsContact CE1-CZ 3.42Å; H1047-R1051 PolarHBondContact CE1-NE 2.6Å; H1047-R1051 PolarHBondContact NE2-NH1 3.38Å; R1051-V1053 HydrophobicContact CB-CG2 4.12Å; R1051-V1053 PolarHBondContact O-N 3.33Å; R1051-V1053 VanDerWaalsContact O-N 3.08Å; R1051-D1054 WeakPolarHBondContact CB-OD2 3.09Å; R1051-D1054 PolarHBondContact N-OD2 2.72Å; R1051-D1054 WeakPolarHBondContact O-CB 3.13Å; R1051-D1054 PolarHBondContact O-N 2.57Å | ||
| 1052 | K | 74.4 | Confident | 84 | Confident | 154 Ų | 154 | 56.9 Ų | 56.9 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.1 | 179.8 | -70.4 | 164.9 | -171.6 | 141.3 | 0 | 114.6 | E950 | E950-K1052 WeakPolarHBondContact OE1-CB 3.44Å; E950-K1052 VanDerWaalsContact OE1-CG 3.25Å; E950-K1052 WeakPolarHBondContact OE1-CG 3.34Å; E950-K1052 PolarHBondContact OE1-N 2.95Å; E950-K1052 WeakPolarHBondContact OE2-CE 3.31Å; E950-K1052 IonicContact OE2-NZ 3.22Å; E950-K1052 PolarHBondContact OE2-NZ 2.98Å |
| 1053 | V | 77.8 | Confident | 84.5 | Confident | 63 Ų | 63 | 58 Ų | 58 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -10 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | F1040 R1051 M1055 | F1040-V1053 HydrophobicContact CD2-CB 4.36Å; F1040-V1053 VanDerWaalsContact CD2-O 3.27Å; F1040-V1053 WeakPolarHBondContact CD2-O 3.35Å; R1051-V1053 HydrophobicContact CB-CG2 4.12Å; R1051-V1053 PolarHBondContact O-N 3.33Å; R1051-V1053 VanDerWaalsContact O-N 3.08Å; V1053-M1055 PolarHBondContact O-N 3.33Å |
| 1054 | D | 85.1 | Confident | 85.2 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.043 | 25% | 0.247 | C | C | . | . | trans | -71.8 | 118.7 | -175.5 | -63.2 | -28.3 | 0 | 0 | 0 | 111.1 | W864 Y1038 A1039 H1047 R1051 | W864-D1054 HydrophobicContact CH2-CB 4.2Å; Y1038-D1054 VanDerWaalsContact CB-OD2 3.26Å; Y1038-D1054 WeakPolarHBondContact CB-OD2 3.32Å; A1039-D1054 WeakPolarHBondContact O-CA 3.3Å; H1047-D1054 IonicContact CE1-OD1 3.9Å; H1047-D1054 PolarHBondContact CE1-OD1 2.81Å; H1047-D1054 VanDerWaalsContact CE1-OD1 3.25Å; H1047-D1054 IonicContact CE1-OD2 2.87Å; H1047-D1054 PolarHBondContact CE1-OD2 2.87Å; H1047-D1054 VanDerWaalsContact CE1-OD2 3.24Å; H1047-D1054 IonicContact NE2-OD1 3.78Å; R1051-D1054 WeakPolarHBondContact CB-OD2 3.09Å; R1051-D1054 PolarHBondContact N-OD2 2.72Å; R1051-D1054 WeakPolarHBondContact O-CB 3.13Å; R1051-D1054 PolarHBondContact O-N 2.57Å | ||
| 1055 | M | 87.6 | Confident | 85.9 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 50% | 0.502 | 24% | 0.235 | S | C | . | . | trans | -98.3 | -12.7 | 176.3 | -46.9 | -173.9 | 67.4 | 0 | 0 | 112.3 | A858 S859 A1039 F1040 V1053 | A858-M1055 CarbonylContact C-O 3.55Å; A858-M1055 WeakPolarHBondContact CA-O 3.05Å; S859-M1055 PolarHBondContact N-O 2.71Å; A1039-M1055 PolarHBondContact O-N 2.87Å; A1039-M1055 VanDerWaalsContact O-N 3.13Å; F1040-M1055 HydrophobicContact CE2-CG 4.5Å; F1040-M1055 HydrophobicContact CE2-SD 4.2Å; F1040-M1055 HydrophobicContact CZ-SD 4.39Å; F1040-M1055 WeakPolarHBondContact O-CB 3.43Å; F1040-M1055 WeakPolarHBondContact O-CG 3.42Å; F1040-M1055 PolarHBondContact O-N 2.87Å; V1053-M1055 PolarHBondContact O-N 3.33Å | ||
| 1056 | V | 90.1 | Very high | 86.2 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149.2 | -178.6 | -52 | 0 | 0 | 0 | 0 | 111.5 | Q857 W864 A1039 N1041 F1042 F1046 | Q857-V1056 WeakPolarHBondContact O-CA 3.41Å; W864-V1056 VanDerWaalsContact CZ3-C 3.43Å; A1039-V1056 HydrophobicContact CB-CG2 3.97Å; A1039-V1056 PolarHBondContact N-O 2.8Å; A1039-V1056 WeakPolarHBondContact O-CG2 3.21Å; A1039-V1056 PolarHBondContact O-N 2.89Å; A1039-V1056 VanDerWaalsContact O-O 3.09Å; N1041-V1056 VanDerWaalsContact C-CG2 3.41Å; F1042-V1056 HydrophobicContact CD1-CG2 4.47Å; F1042-V1056 HydrophobicContact CD2-CB 4.08Å; F1042-V1056 HydrophobicContact CD2-CG1 3.6Å; F1042-V1056 HydrophobicContact CD2-CG2 4.24Å; F1042-V1056 HydrophobicContact CE1-CB 4.41Å; F1042-V1056 HydrophobicContact CE2-CB 3.73Å; F1042-V1056 HydrophobicContact CE2-CG1 3.39Å; F1042-V1056 HydrophobicContact CE2-CG2 4.34Å; F1042-V1056 HydrophobicContact CG-CG1 4.44Å; F1042-V1056 HydrophobicContact CG-CG2 4.29Å; F1042-V1056 HydrophobicContact CZ-CB 3.89Å; F1042-V1056 HydrophobicContact CZ-CG1 4.08Å; F1042-V1056 HydrophobicContact CZ-CG2 4.47Å; F1046-V1056 HydrophobicContact CE1-CG2 4.15Å; F1046-V1056 HydrophobicContact CZ-CG2 4.17Å |
| 1057 | R | 92.1 | Very high | 85.8 | Confident | 35 Ų | 35 | 50 Ų | 50 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.5 | 165.5 | 71.9 | -180 | -174.4 | 176.5 | 1.1 | 110.9 | Q857 W864 W1036 E1037 Y1038 | Q857-R1057 HydrophobicContact CB-CG 3.94Å; Q857-R1057 PolarHBondContact N-O 2.91Å; Q857-R1057 PolarHBondContact O-N 3.24Å; Q857-R1057 VanDerWaalsContact O-O 3.09Å; W864-R1057 VanDerWaalsContact CD1-CZ 3.48Å; W864-R1057 HydrophobicContact CD2-CG 3.92Å; W864-R1057 HydrophobicContact CE3-CB 4.28Å; W864-R1057 HydrophobicContact CE3-CG 3.61Å; W864-R1057 VanDerWaalsContact CG-CZ 3.45Å; W864-R1057 HydrophobicContact CH2-CB 4.11Å; W864-R1057 HydrophobicContact CH2-CG 4.29Å; W864-R1057 HydrophobicContact CZ3-CB 3.96Å; W864-R1057 HydrophobicContact CZ3-CG 3.81Å; W1036-R1057 HydrophobicContact CD2-CG 4.28Å; W1036-R1057 HydrophobicContact CE3-CB 4.23Å; W1036-R1057 HydrophobicContact CE3-CG 3.64Å; W1036-R1057 HydrophobicContact CZ3-CG 4.01Å; E1037-R1057 CarbonylContact O-C 3.52Å; E1037-R1057 WeakPolarHBondContact O-CA 3.49Å; E1037-R1057 VanDerWaalsContact O-CB 3.3Å; E1037-R1057 WeakPolarHBondContact O-CB 3.44Å; Y1038-R1057 HydrophobicContact CD1-CB 3.67Å; Y1038-R1057 HydrophobicContact CD1-CG 4.49Å; Y1038-R1057 HydrophobicContact CE1-CB 3.98Å; Y1038-R1057 VanDerWaalsContact CE1-CD 3.47Å; Y1038-R1057 HydrophobicContact CE1-CG 4.37Å; Y1038-R1057 HydrophobicContact CG-CB 4.19Å; Y1038-R1057 PolarHBondContact OH-NH1 3.35Å |
| 1058 | R | 92.5 | Very high | 85.6 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 164.6 | 175 | 71.8 | -176.5 | -172.6 | 178.4 | 3 | 111.7 | Y854 E855 N856 N879 E1037 F1046 | Y854-R1058 HydrophobicContact CD1-CG 4.27Å; E855-R1058 CarbonylContact O-C 3.58Å; E855-R1058 WeakPolarHBondContact O-CA 3.33Å; N856-R1058 VanDerWaalsContact OD1-CB 3.23Å; N856-R1058 WeakPolarHBondContact OD1-CB 3.39Å; N879-R1058 PolarHBondContact O-NH1 2.8Å; E1037-R1058 HydrophobicContact CB-CG 4.01Å; E1037-R1058 WeakPolarHBondContact CB-O 3.44Å; E1037-R1058 PolarHBondContact N-O 3.17Å; E1037-R1058 PolarHBondContact O-N 3.33Å; E1037-R1058 IonicContact OE2-CZ 3.76Å; E1037-R1058 VanDerWaalsContact OE2-CZ 3.28Å; E1037-R1058 IonicContact OE2-NE 3.27Å; E1037-R1058 PolarHBondContact OE2-NE 2.95Å; E1037-R1058 IonicContact OE2-NH2 3.58Å; E1037-R1058 PolarHBondContact OE2-NH2 3.01Å; F1046-R1058 HydrophobicContact CD1-CG 4Å; F1046-R1058 HydrophobicContact CE1-CB 4.32Å; F1046-R1058 HydrophobicContact CE1-CG 3.63Å; F1046-R1058 HydrophobicContact CZ-CG 4.03Å |
| 1059 | R | 92.2 | Very high | 84.9 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 126.8 | 175.3 | 172.6 | 163.5 | 65.4 | -169.6 | -2.3 | 110.7 | Y854 E855 V904 E1034 W1036 W1061 | Y854-R1059 CarbonylContact C-O 3.6Å; Y854-R1059 WeakPolarHBondContact CA-O 3.34Å; E855-R1059 HydrophobicContact CB-CB 4.38Å; E855-R1059 PolarHBondContact N-O 3.46Å; E855-R1059 PolarHBondContact O-N 2.93Å; E855-R1059 IonicContact OE1-NH2 2.78Å; E855-R1059 PolarHBondContact OE1-NH2 3.27Å; E855-R1059 IonicContact OE2-CZ 3.23Å; E855-R1059 IonicContact OE2-NE 2.73Å; E855-R1059 PolarHBondContact OE2-NE 3.35Å; E855-R1059 IonicContact OE2-NH2 2.69Å; E855-R1059 PolarHBondContact OE2-NH2 2.83Å; V904-R1059 HydrophobicContact CG1-CG 3.74Å; V904-R1059 HydrophobicContact CG2-CG 4.31Å; E1034-R1059 WeakPolarHBondContact O-CD 3.42Å; E1034-R1059 PolarHBondContact O-NH1 3.21Å; E1034-R1059 VanDerWaalsContact O-NH1 3.13Å; E1034-R1059 IonicContact OE2-NH1 2.7Å; E1034-R1059 PolarHBondContact OE2-NH1 3.03Å; W1036-R1059 HydrophobicContact CD2-CB 4.18Å; W1036-R1059 HydrophobicContact CE3-CB 3.7Å; W1036-R1059 HydrophobicContact CH2-CB 4.28Å; W1036-R1059 VanDerWaalsContact CZ2-CZ 3.46Å; W1036-R1059 HydrophobicContact CZ3-CB 3.76Å; R1059-W1061 VanDerWaalsContact O-CD1 3.29Å |
| 1060 | R | 92.9 | Very high | 83.8 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 6% | 0.064 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.5 | -178 | -168.5 | 171.9 | 77.4 | 169.5 | 1.7 | 111.7 | E852 Y854 S905 P906 | E852-R1060 HydrophobicContact CG-CG 4.38Å; E852-R1060 WeakPolarHBondContact OE2-CD 3.23Å; Y854-R1060 HydrophobicContact CD1-CB 3.95Å; Y854-R1060 HydrophobicContact CD1-CG 4.23Å; Y854-R1060 HydrophobicContact CE1-CB 3.63Å; Y854-R1060 HydrophobicContact CE1-CG 3.64Å; Y854-R1060 HydrophobicContact CE2-CG 4.14Å; Y854-R1060 VanDerWaalsContact CZ-CD 3.47Å; Y854-R1060 WeakPolarHBondContact OH-CD 3.28Å; S905-R1060 PolarHBondContact N-O 3.43Å; S905-R1060 WeakPolarHBondContact O-CB 3.49Å; S905-R1060 PolarHBondContact O-NE 2.81Å; S905-R1060 PolarHBondContact O-NH2 3.07Å; S905-R1060 VanDerWaalsContact O-NH2 3.17Å; P906-R1060 PolarHBondContact O-NH2 2.66Å |
| 1061 | W | 93.1 | Very high | 82.3 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.2 | 179.1 | -70 | 89 | 0 | 0 | 0 | 110.4 | E852 T853 E855 W876 K887 W902 Y903 V904 R1059 | E852-W1061 WeakPolarHBondContact CA-O 3.46Å; T853-W1061 HydrophobicContact CG2-CB 4.06Å; T853-W1061 PolarHBondContact N-O 3.03Å; T853-W1061 PolarHBondContact O-N 2.85Å; E855-W1061 PolarHBondContact OE2-NE1 3.03Å; W876-W1061 AromaticContact CH2-CD1 3.8Å; W876-W1061 AromaticContact CH2-CE2 3.97Å; W876-W1061 HydrophobicContact CH2-CG 4.39Å; W876-W1061 AromaticContact CH2-NE1 3.48Å; W876-W1061 AromaticContact CZ3-CD1 3.44Å; W876-W1061 VanDerWaalsContact CZ3-CD1 3.44Å; W876-W1061 AromaticContact CZ3-CG 3.98Å; W876-W1061 HydrophobicContact CZ3-CG 3.98Å; W876-W1061 AromaticContact CZ3-NE1 3.65Å; K887-W1061 HydrophobicContact CD-CD2 4.47Å; W902-W1061 HydrophobicContact CB-CE3 3.98Å; W902-W1061 HydrophobicContact CB-CZ3 4.37Å; W902-W1061 HydrophobicContact CE3-CB 3.95Å; W902-W1061 HydrophobicContact CZ3-CB 4.36Å; Y903-W1061 WeakPolarHBondContact O-CA 3.25Å; V904-W1061 HydrophobicContact CG2-CD2 4.07Å; V904-W1061 HydrophobicContact CG2-CE3 3.92Å; V904-W1061 HydrophobicContact CG2-CH2 3.81Å; V904-W1061 HydrophobicContact CG2-CZ2 3.95Å; V904-W1061 HydrophobicContact CG2-CZ3 3.79Å; R1059-W1061 VanDerWaalsContact O-CD1 3.29Å |
| 1062 | H | 92.3 | Very high | 80.6 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.2 | 175.1 | -74.6 | 175.4 | 0 | 0 | 0 | 111.1 | V850 A851 E852 W902 Y903 S905 | V850-H1062 HydrophobicContact CB-CB 4.42Å; A851-H1062 CarbonylContact O-C 3.54Å; A851-H1062 VanDerWaalsContact O-CA 3.3Å; A851-H1062 WeakPolarHBondContact O-CA 3.39Å; E852-H1062 IonicContact OE2-CD2 3.49Å; E852-H1062 IonicContact OE2-CE1 3.19Å; E852-H1062 IonicContact OE2-NE2 3.63Å; E852-H1062 PolarHBondContact OE2-NE2 3.3Å; W902-H1062 WeakPolarHBondContact CA-O 3.33Å; W902-H1062 VanDerWaalsContact CE3-C 3.46Å; Y903-H1062 VanDerWaalsContact CD1-O 3.31Å; Y903-H1062 WeakPolarHBondContact CD1-O 3.49Å; Y903-H1062 HydrophobicContact CD2-CB 4.47Å; Y903-H1062 HydrophobicContact CE1-CB 4.05Å; Y903-H1062 HydrophobicContact CE2-CB 3.89Å; Y903-H1062 PolarHBondContact N-O 2.95Å; Y903-H1062 PolarHBondContact O-N 2.9Å; S905-H1062 VanDerWaalsContact CB-ND1 3.34Å; S905-H1062 WeakPolarHBondContact CB-ND1 3.18Å; S905-H1062 PolarHBondContact OG-CE1 3.29Å; S905-H1062 PolarHBondContact OG-ND1 3.22Å |
| 1063 | R | 93.2 | Very high | 79.1 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 126.3 | 166.7 | -171.8 | 177.7 | -169.4 | 158.6 | 14.8 | 110 | V850 A851 W898 G900 D901 W902 | V850-R1063 CarbonylContact C-O 3.43Å; V850-R1063 VanDerWaalsContact CA-O 3.31Å; V850-R1063 WeakPolarHBondContact CA-O 3.29Å; A851-R1063 PolarHBondContact N-O 2.76Å; A851-R1063 PolarHBondContact O-N 3.02Å; W898-R1063 HydrophobicContact CD2-CG 4.29Å; W898-R1063 HydrophobicContact CE3-CB 4.22Å; W898-R1063 VanDerWaalsContact CE3-CD 3.47Å; W898-R1063 HydrophobicContact CE3-CG 3.6Å; W898-R1063 HydrophobicContact CZ3-CB 4.02Å; W898-R1063 HydrophobicContact CZ3-CG 3.92Å; G900-R1063 VanDerWaalsContact O-CZ 3.28Å; G900-R1063 PolarHBondContact O-NE 2.65Å; G900-R1063 PolarHBondContact O-NH2 3.03Å; D901-R1063 IonicContact OD1-CZ 2.87Å; D901-R1063 IonicContact OD1-NH1 2.6Å; D901-R1063 IonicContact OD1-NH2 3.33Å; D901-R1063 PolarHBondContact OD1-NH2 2.86Å; W902-R1063 HydrophobicContact CD2-CB 3.6Å; W902-R1063 HydrophobicContact CD2-CG 4.4Å; W902-R1063 HydrophobicContact CE3-CB 3.59Å; W902-R1063 HydrophobicContact CG-CB 4.11Å; W902-R1063 HydrophobicContact CH2-CB 4.21Å; W902-R1063 HydrophobicContact CZ2-CB 4.24Å; W902-R1063 HydrophobicContact CZ3-CB 3.89Å |
| 1064 | A | 90.9 | Very high | 77.9 | Confident | 14 Ų | 14 | 57 Ų | 57 | 12% | 0.116 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 147.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V849 V850 V899 | V849-A1064 WeakPolarHBondContact O-CA 3.36Å; V850-A1064 HydrophobicContact CG1-CB 4.29Å; V899-A1064 HydrophobicContact CB-CB 4.16Å; V899-A1064 PolarHBondContact N-O 2.62Å |
| 1065 | L | 89.5 | Confident | 76.5 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 150.7 | 173.7 | 56.8 | 152 | 0 | 0 | 0 | 110.5 | V849 A851 L892 W896 E897 W898 L1079 | V849-L1065 HydrophobicContact CB-CD2 4.48Å; V849-L1065 HydrophobicContact CB-CG 4.16Å; V849-L1065 HydrophobicContact CG1-CD1 4.1Å; V849-L1065 HydrophobicContact CG1-CD2 4.01Å; V849-L1065 HydrophobicContact CG1-CG 3.89Å; V849-L1065 WeakPolarHBondContact O-CD2 3.31Å; V849-L1065 PolarHBondContact O-N 2.92Å; A851-L1065 HydrophobicContact CB-CD2 4.3Å; L892-L1065 HydrophobicContact CD2-CB 3.82Å; L892-L1065 HydrophobicContact CD2-CD1 3.69Å; L892-L1065 HydrophobicContact CD2-CG 4.29Å; W896-L1065 HydrophobicContact CD2-CD1 4.16Å; W896-L1065 HydrophobicContact CE3-CB 4.22Å; W896-L1065 HydrophobicContact CE3-CD1 3.62Å; W896-L1065 HydrophobicContact CE3-CG 4.02Å; W896-L1065 HydrophobicContact CZ3-CD1 4.09Å; W896-L1065 HydrophobicContact CZ3-CG 4.27Å; E897-L1065 VanDerWaalsContact O-CA 3.25Å; E897-L1065 WeakPolarHBondContact O-CA 3.25Å; E897-L1065 WeakPolarHBondContact O-CB 3.33Å; W898-L1065 HydrophobicContact CE3-CB 4.05Å; W898-L1065 HydrophobicContact CZ3-CB 4.24Å; W898-L1065 HydrophobicContact CZ3-CD2 3.94Å; L1065-L1079 HydrophobicContact CD1-CD2 3.83Å |
| 1066 | A | 83.8 | Confident | 75.4 | Confident | 31 Ų | 31 | 56 Ų | 56 | 26% | 0.256 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | W896 E897 V899 | W896-A1066 CarbonylContact C-O 3.43Å; W896-A1066 WeakPolarHBondContact CA-O 3.37Å; E897-A1066 PolarHBondContact N-O 3.35Å; E897-A1066 PolarHBondContact O-N 2.73Å; V899-A1066 HydrophobicContact CG2-CB 3.66Å |
| 1067 | P | 77.2 | Confident | 74.4 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140.5 | 169.4 | 30 | -34.4 | 0 | 0 | 0 | 110.3 | E1069 T1074 | P1067-E1069 VanDerWaalsContact C-N 3.31Å; P1067-E1069 PolarHBondContact O-N 3.2Å; P1067-T1074 HydrophobicContact CB-CG2 4.28Å |
| 1068 | K | 73.9 | Confident | 73.6 | Confident | 129 Ų | 129 | 54.7 Ų | 54.7 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -68.3 | -28.8 | -177.8 | -71.9 | 180 | 171.5 | 179.9 | 0 | 113.9 | G895 W896 E897 | G895-K1068 WeakPolarHBondContact O-CB 3.49Å; G895-K1068 WeakPolarHBondContact O-CG 3.47Å; G895-K1068 PolarHBondContact O-N 3.02Å; W896-K1068 VanDerWaalsContact O-CE 3.3Å; W896-K1068 WeakPolarHBondContact O-CE 3.44Å; E897-K1068 HydrophobicContact CB-CG 3.99Å; E897-K1068 HydrophobicContact CG-CG 3.85Å |
| 1069 | E | 64.1 | Low | 73 | Confident | 114 Ų | 114 | 52.8 Ų | 52.8 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | trans | -137.1 | 139.5 | 176.9 | -68.6 | 175 | 160.5 | 0 | 0 | 107.7 | P1067 S1071 S1072 | P1067-E1069 VanDerWaalsContact C-N 3.31Å; P1067-E1069 PolarHBondContact O-N 3.2Å; E1069-S1071 VanDerWaalsContact C-N 3.27Å; E1069-S1071 PolarHBondContact O-N 3.3Å; E1069-S1072 WeakPolarHBondContact CB-OG 3.41Å; E1069-S1072 VanDerWaalsContact OE2-CB 3.22Å; E1069-S1072 WeakPolarHBondContact OE2-CB 3.34Å; E1069-S1072 PolarHBondContact OE2-OG 3.15Å | ||
| 1070 | L | 56.1 | Low | 72.3 | Confident | 165 Ų | 165 | 56.5 Ų | 56.5 | 86% | 0.864 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -72 | -22.6 | 176.7 | -79 | 85 | 0 | 0 | 0 | 112.8 | ||
| 1071 | S | 51.4 | Low | 71.4 | Confident | 114 Ų | 114 | 56.3 Ų | 56.3 | 80% | 0.797 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -105.1 | -9.6 | -165.5 | 56.3 | 0 | 0 | 0 | 0 | 115.9 | E1069 | E1069-S1071 VanDerWaalsContact C-N 3.27Å; E1069-S1071 PolarHBondContact O-N 3.3Å |
| 1072 | S | 41.6 | Very low | 70.4 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -97.5 | 163.4 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | E1069 T1074 | E1069-S1072 WeakPolarHBondContact CB-OG 3.41Å; E1069-S1072 VanDerWaalsContact OE2-CB 3.22Å; E1069-S1072 WeakPolarHBondContact OE2-CB 3.34Å; E1069-S1072 PolarHBondContact OE2-OG 3.15Å; S1072-T1074 PolarHBondContact O-N 3.07Å; S1072-T1074 PolarHBondContact O-OG1 3.32Å |
| 1073 | E | 44.2 | Very low | 68.6 | Low | 189 Ų | 189 | 64.9 Ų | 64.9 | 88% | 0.883 | 35% | 0.348 | S | S | * | . | trans | -64.4 | 53 | -164.2 | -55.8 | 174 | 143.8 | 0 | 0 | 115.4 | S1075 | E1073-S1075 PolarHBondContact O-N 3.44Š| ||
| 1074 | T | 52.2 | Low | 66.5 | Low | 19 Ų | 19 | 68.2 Ų | 68.2 | 12% | 0.117 | 38% | 0.378 | C | S | . | . | trans | -79.3 | 79.2 | 178.5 | 33.9 | 0 | 0 | 0 | 0 | 110.7 | R835 P1067 S1072 | R835-T1074 PolarHBondContact NH1-O 3.01Å; P1067-T1074 HydrophobicContact CB-CG2 4.28Å; S1072-T1074 PolarHBondContact O-N 3.07Å; S1072-T1074 PolarHBondContact O-OG1 3.32Å | ||
| 1075 | S | 55.9 | Low | 64.3 | Low | 42 Ų | 42 | 71.6 Ų | 71.6 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | trans | -81.4 | -2.7 | -176.5 | -69.5 | 0 | 0 | 0 | 0 | 116.5 | K557 E832 E1073 | K557-S1075 PolarHBondContact NZ-OG 3.02Å; E832-S1075 VanDerWaalsContact OE1-CA 3.3Å; E832-S1075 WeakPolarHBondContact OE1-CA 2.82Å; E832-S1075 WeakPolarHBondContact OE1-CB 3.34Å; E832-S1075 PolarHBondContact OE1-OG 2.83Å; E1073-S1075 PolarHBondContact O-N 3.44Å | ||
| 1076 | S | 63.8 | Low | 61.8 | Low | 45 Ų | 45 | 81.3 Ų | 81.3 | 32% | 0.315 | 44% | 0.443 | S | S | . | . | trans | -156.6 | 142.4 | -179.5 | -166.8 | 0 | 0 | 0 | 0 | 112.8 | W896 V1078 | W896-S1076 PolarHBondContact NE1-O 3.14Å; S1076-V1078 WeakPolarHBondContact OG-CG2 3.19Å; S1076-V1078 PolarHBondContact OG-N 3.33Å | ||
| 1077 | C | 69.6 | Low | 59.5 | Low | 5 Ų | 5 | 87.9 Ų | 87.9 | 3% | 0.034 | 47% | 0.468 | C | S | . | . | trans | -101.5 | 3.9 | 170.7 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | M627 W896 L1079 P1103 | M627-C1077 HydrophobicContact CE-CB 4.44Å; M627-C1077 VanDerWaalsContact CE-SG 3.51Å; W896-C1077 HydrophobicContact CH2-CB 4.13Å; W896-C1077 HydrophobicContact CZ2-CB 3.75Å; C1077-L1079 PolarHBondContact O-N 3.26Å; C1077-P1103 HydrophobicContact CB-CG 3.96Å; C1077-P1103 VanDerWaalsContact O-CD 3.31Å; C1077-P1103 WeakPolarHBondContact O-CD 3.03Å; C1077-P1103 WeakPolarHBondContact O-CG 3.4Å; C1077-P1103 VanDerWaalsContact SG-CG 3.55Å | ||
| 1078 | V | 76.3 | Confident | 57.4 | Low | 13 Ų | 13 | 90.6 Ų | 90.6 | 8% | 0.079 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 129.1 | -177.4 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | T596 P597 P893 S1076 L1100 V1102 | T596-V1078 HydrophobicContact CG2-CG2 4.43Å; P597-V1078 VanDerWaalsContact O-CG2 3.24Å; P597-V1078 WeakPolarHBondContact O-CG2 3.5Å; P893-V1078 WeakPolarHBondContact CB-O 3.39Å; P893-V1078 WeakPolarHBondContact CG-O 3.49Å; S1076-V1078 WeakPolarHBondContact OG-CG2 3.19Å; S1076-V1078 PolarHBondContact OG-N 3.33Å; V1078-L1100 HydrophobicContact CG1-CB 4.3Å; V1078-L1100 HydrophobicContact CG1-CD2 4.14Å; V1078-V1102 HydrophobicContact CG2-CG1 4.49Å |
| 1079 | L | 79.4 | Confident | 55.6 | Low | 1 Ų | 1 | 92.9 Ų | 92.9 | 1% | 0.005 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 147.1 | -175.8 | -50.8 | 175.9 | 0 | 0 | 0 | 110.3 | A851 I890 L892 L1065 C1077 L1100 T1101 P1103 | A851-L1079 HydrophobicContact CB-CD1 3.71Å; I890-L1079 HydrophobicContact CG2-CB 4.12Å; I890-L1079 HydrophobicContact CG2-CD1 3.87Å; I890-L1079 HydrophobicContact CG2-CG 4.47Å; L892-L1079 HydrophobicContact CD2-CD2 4.2Å; L1065-L1079 HydrophobicContact CD1-CD2 3.83Å; C1077-L1079 PolarHBondContact O-N 3.26Å; L1079-L1100 WeakPolarHBondContact O-CA 3.35Å; L1079-T1101 HydrophobicContact CB-CG2 3.76Å; L1079-T1101 HydrophobicContact CD1-CG2 4.2Å; L1079-T1101 HydrophobicContact CG-CG2 4.49Å; L1079-T1101 PolarHBondContact N-O 3.42Å; L1079-T1101 PolarHBondContact O-N 3.28Å; L1079-P1103 HydrophobicContact CD1-CB 4.34Å |
| 1080 | Q | 76.4 | Confident | 54.1 | Low | 106 Ų | 106 | 92.5 Ų | 92.5 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 146.9 | 175.4 | -70.2 | -179.5 | -5.8 | 0 | 0 | 111 | Q891 N1099 L1100 | Q891-Q1080 HydrophobicContact CB-CB 4.25Å; Q891-Q1080 PolarHBondContact N-O 2.95Å; Q891-Q1080 PolarHBondContact O-N 3.42Å; Q1080-N1099 CarbonylContact C-O 3.14Å; Q1080-N1099 WeakPolarHBondContact CA-O 3.21Å; Q1080-L1100 HydrophobicContact CG-CD2 3.9Å |
| 1081 | I | 73.7 | Confident | 52.8 | Low | 14 Ų | 14 | 88.3 Ų | 88.3 | 7% | 0.072 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129 | 175.7 | -50.9 | 172.1 | 0 | 0 | 0 | 108.8 | L885 S889 S1083 N1099 T1101 | L885-I1081 HydrophobicContact CD1-CD1 4.45Å; L885-I1081 HydrophobicContact CD2-CD1 3.88Å; L885-I1081 HydrophobicContact CD2-CG1 4.17Å; L885-I1081 HydrophobicContact CG-CD1 3.94Å; S889-I1081 WeakPolarHBondContact O-CA 3.29Å; I1081-S1083 PolarHBondContact O-N 3Å; I1081-N1099 PolarHBondContact N-O 3.04Å; I1081-N1099 WeakPolarHBondContact O-CB 3.04Å; I1081-T1101 HydrophobicContact CD1-CG2 4.37Å; I1081-T1101 HydrophobicContact CG1-CG2 4.2Å |
| 1082 | R | 72.1 | Confident | 51.9 | Low | 144 Ų | 144 | 90.2 Ų | 90.2 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | trans | -71.3 | 119.1 | 169.6 | -72.4 | 175.2 | 171.8 | 168.9 | -0.8 | 110.7 | S889 Q891 S1084 | S889-R1082 PolarHBondContact O-N 3.02Å; Q891-R1082 HydrophobicContact CG-CG 3.87Å; R1082-S1084 PolarHBondContact O-N 3.23Å | ||
| 1083 | S | 55 | Low | 51.6 | Low | 76 Ų | 76 | 97.7 Ų | 97.7 | 53% | 0.531 | 52% | 0.518 | S | S | . | . | trans | -70.4 | 126.6 | 166.3 | 67.6 | 0 | 0 | 0 | 0 | 110.3 | I1081 | I1081-S1083 PolarHBondContact O-N 3Š| ||
| 1084 | S | 48.7 | Very low | 51.2 | Low | 112 Ų | 112 | 95.7 Ų | 95.7 | 78% | 0.783 | 51% | 0.513 | S | S | * | . | trans | -90.4 | -11.1 | 178.9 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | R1082 K1086 | R1082-S1084 PolarHBondContact O-N 3.23Å; S1084-K1086 PolarHBondContact O-N 3.05Å | ||
| 1085 | S | 44.9 | Very low | 50.4 | Low | 85 Ų | 85 | 100.3 Ų | 100.3 | 59% | 0.594 | 53% | 0.531 | S | S | * | . | trans | -86 | 99.7 | -171.7 | 54 | 0 | 0 | 0 | 0 | 113.5 | Q1087 | S1085-Q1087 PolarHBondContact O-N 2.93Š| ||
| 1086 | K | 37.3 | Very low | 49.7 | Very low | 212 Ų | 212 | 107.5 Ų | 107.5 | 92% | 0.922 | 56% | 0.557 | S | S | * | * | trans | -69.2 | 73.2 | 159.3 | -72.1 | -176.3 | 175.4 | -179.4 | 0 | 111 | S1084 | S1084-K1086 PolarHBondContact O-N 3.05Š| ||
| 1087 | Q | 34.9 | Very low | 49 | Very low | 168 Ų | 168 | 109.7 Ų | 109.7 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | trans | -140.6 | 121.4 | 174.2 | -79.3 | -162.6 | -18.8 | 0 | 0 | 114.1 | S1085 | S1085-Q1087 PolarHBondContact O-N 2.93Š| ||
| 1088 | V | 34.9 | Very low | 48 | Very low | 108 Ų | 108 | 115 Ų | 115 | 66% | 0.655 | 59% | 0.585 | S | S | * | * | trans | 59.4 | 106 | 156.8 | -161.7 | 0 | 0 | 0 | 0 | 117.8 | S1090 | V1088-S1090 VanDerWaalsContact CG1-OG 3.31Å; V1088-S1090 WeakPolarHBondContact CG1-OG 3.44Å; V1088-S1090 PolarHBondContact O-N 3.48Å; V1088-S1090 VanDerWaalsContact O-N 3.08Å | ||
| 1089 | E | 34.5 | Very low | 47.5 | Very low | 177 Ų | 177 | 116.9 Ų | 116.9 | 83% | 0.827 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 6.6 | 179.8 | -65.3 | 175.6 | 125.5 | 0 | 0 | 115.6 | L1092 | E1089-L1092 WeakPolarHBondContact O-CD1 3.04Š|
| 1090 | S | 32.4 | Very low | 47.3 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 74% | 0.741 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 4.9 | -168.5 | 70.2 | 0 | 0 | 0 | 0 | 116.2 | V1088 | V1088-S1090 VanDerWaalsContact CG1-OG 3.31Å; V1088-S1090 WeakPolarHBondContact CG1-OG 3.44Å; V1088-S1090 PolarHBondContact O-N 3.48Å; V1088-S1090 VanDerWaalsContact O-N 3.08Å |
| 1091 | S | 30.3 | Very low | 47.5 | Very low | 76 Ų | 76 | 115.7 Ų | 115.7 | 53% | 0.531 | 59% | 0.593 | S | S | . | * | trans | -134.2 | 53.5 | -179.7 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | K1093 | S1091-K1093 VanDerWaalsContact C-N 3.31Å; S1091-K1093 PolarHBondContact O-N 3.01Å | ||
| 1092 | L | 32.5 | Very low | 48 | Very low | 155 Ų | 155 | 117.2 Ų | 117.2 | 81% | 0.812 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 11.1 | -166.7 | -85.9 | 166.5 | 0 | 0 | 0 | 117.2 | E1089 | E1089-L1092 WeakPolarHBondContact O-CD1 3.04Š|
| 1093 | K | 34 | Very low | 48.8 | Very low | 198 Ų | 198 | 110.5 Ų | 110.5 | 86% | 0.861 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -36 | -177.4 | -74.4 | -169 | 175.7 | -176.4 | 0 | 117.2 | S1091 | S1091-K1093 VanDerWaalsContact C-N 3.31Å; S1091-K1093 PolarHBondContact O-N 3.01Å |
| 1094 | L | 35.6 | Very low | 50.5 | Low | 147 Ų | 147 | 108 Ų | 108 | 77% | 0.77 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -30.2 | -174.1 | -102.5 | 77.9 | 0 | 0 | 0 | 115.5 | K1096 | L1094-K1096 PolarHBondContact O-N 3.04Š|
| 1095 | K | 36 | Very low | 52.5 | Low | 116 Ų | 116 | 103 Ų | 103 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 19.8 | -163.2 | -70.4 | -174.2 | 165.2 | -87.2 | 0 | 117.1 | E1098 | K1095-E1098 WeakPolarHBondContact CD-OE2 3.46Å; K1095-E1098 WeakPolarHBondContact CG-OE2 3.31Å; K1095-E1098 IonicContact NZ-OE1 3.33Å; K1095-E1098 PolarHBondContact NZ-OE1 3.28Å; K1095-E1098 IonicContact NZ-OE2 3.5Å; K1095-E1098 PolarHBondContact NZ-OE2 3.48Å |
| 1096 | K | 42 | Very low | 54.6 | Low | 193 Ų | 193 | 99.9 Ų | 99.9 | 84% | 0.839 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.6 | 178.8 | -99.2 | -173.8 | 177.1 | -178.6 | 0 | 114.5 | L1094 | L1094-K1096 PolarHBondContact O-N 3.04Š|
| 1097 | K | 47.9 | Very low | 57 | Low | 91 Ų | 91 | 89.9 Ų | 89.9 | 40% | 0.396 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -88.3 | -20.9 | -179.4 | -75.4 | -165.4 | 177 | -174 | 0 | 115.1 | E593 S594 V595 N1099 L1100 | E593-K1097 PolarHBondContact O-NZ 2.92Å; S594-K1097 VanDerWaalsContact C-NZ 3.3Å; S594-K1097 PolarHBondContact O-NZ 2.91Å; V595-K1097 PolarHBondContact O-NZ 2.88Å; K1097-N1099 PolarHBondContact O-N 3.21Å; K1097-L1100 PolarHBondContact O-N 2.97Å |
| 1098 | E | 49.3 | Very low | 59.4 | Low | 116 Ų | 116 | 87 Ų | 87 | 54% | 0.542 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -15.4 | 173.9 | -71.2 | -179.4 | 154.5 | 0 | 0 | 113.6 | K1095 | K1095-E1098 WeakPolarHBondContact CD-OE2 3.46Å; K1095-E1098 WeakPolarHBondContact CG-OE2 3.31Å; K1095-E1098 IonicContact NZ-OE1 3.33Å; K1095-E1098 PolarHBondContact NZ-OE1 3.28Å; K1095-E1098 IonicContact NZ-OE2 3.5Å; K1095-E1098 PolarHBondContact NZ-OE2 3.48Å |
| 1099 | N | 66.7 | Low | 61.7 | Low | 53 Ų | 53 | 82.8 Ų | 82.8 | 28% | 0.283 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 19.5 | -177.5 | -71 | -14.8 | 0 | 0 | 0 | 114.4 | Q1080 I1081 K1097 | Q1080-N1099 CarbonylContact C-O 3.14Å; Q1080-N1099 WeakPolarHBondContact CA-O 3.21Å; I1081-N1099 PolarHBondContact N-O 3.04Å; I1081-N1099 WeakPolarHBondContact O-CB 3.04Å; K1097-N1099 PolarHBondContact O-N 3.21Å |
| 1100 | L | 74.6 | Confident | 63.6 | Low | 56 Ų | 56 | 83.4 Ų | 83.4 | 29% | 0.293 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.7 | 177.3 | -63.2 | 176.8 | 0 | 0 | 0 | 111.6 | V1078 L1079 Q1080 K1097 | V1078-L1100 HydrophobicContact CG1-CB 4.3Å; V1078-L1100 HydrophobicContact CG1-CD2 4.14Å; L1079-L1100 WeakPolarHBondContact O-CA 3.35Å; Q1080-L1100 HydrophobicContact CG-CD2 3.9Å; K1097-L1100 PolarHBondContact O-N 2.97Å |
| 1101 | T | 80 | Confident | 65.7 | Low | 27 Ų | 27 | 81.4 Ų | 81.4 | 17% | 0.166 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160.5 | 169.6 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | L885 L1079 I1081 | L885-T1101 HydrophobicContact CD2-CG2 3.91Å; L1079-T1101 HydrophobicContact CB-CG2 3.76Å; L1079-T1101 HydrophobicContact CD1-CG2 4.2Å; L1079-T1101 HydrophobicContact CG-CG2 4.49Å; L1079-T1101 PolarHBondContact N-O 3.42Å; L1079-T1101 PolarHBondContact O-N 3.28Å; I1081-T1101 HydrophobicContact CD1-CG2 4.37Å; I1081-T1101 HydrophobicContact CG1-CG2 4.2Å |
| 1102 | V | 84.2 | Confident | 68.2 | Low | 46 Ų | 46 | 79.5 Ų | 79.5 | 28% | 0.279 | 37% | 0.373 | S | S | . | . | trans | -111 | 141 | -177.2 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | P597 V1078 | P597-V1102 HydrophobicContact CB-CG1 3.63Å; V1078-V1102 HydrophobicContact CG2-CG1 4.49Å | ||
| 1103 | P | 88.6 | Confident | 70.8 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | trans | -74.3 | 164.6 | 173.9 | 32.9 | -34.7 | 0 | 0 | 0 | 111 | V849 V850 C1077 L1079 | V849-P1103 HydrophobicContact CG1-CB 3.53Å; V849-P1103 HydrophobicContact CG1-CG 3.6Å; V850-P1103 CarbonylContact O-C 3.49Å; V850-P1103 VanDerWaalsContact O-CA 3.31Å; V850-P1103 WeakPolarHBondContact O-CA 3.27Å; V850-P1103 VanDerWaalsContact O-CB 3.23Å; V850-P1103 WeakPolarHBondContact O-CB 3.22Å; C1077-P1103 HydrophobicContact CB-CG 3.96Å; C1077-P1103 VanDerWaalsContact O-CD 3.31Å; C1077-P1103 WeakPolarHBondContact O-CD 3.03Å; C1077-P1103 WeakPolarHBondContact O-CG 3.4Å; C1077-P1103 VanDerWaalsContact SG-CG 3.55Å; L1079-P1103 HydrophobicContact CD1-CB 4.34Å | ||
| 1104 | R | 90.3 | Very high | 73.3 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 143.4 | 161.6 | -60.7 | -61.9 | -171.9 | 171.6 | -0.5 | 109.2 | T601 T602 V849 V850 E852 N879 F1106 | T601-R1104 PolarHBondContact O-NH1 3.11Å; T602-R1104 VanDerWaalsContact C-NH1 3.29Å; T602-R1104 PolarHBondContact O-NH1 2.79Å; V849-R1104 WeakPolarHBondContact CA-O 3.45Å; V850-R1104 HydrophobicContact CG2-CB 3.83Å; V850-R1104 PolarHBondContact N-O 3.27Å; V850-R1104 PolarHBondContact O-N 2.85Å; E852-R1104 HydrophobicContact CB-CG 4.2Å; E852-R1104 IonicContact OE1-CZ 3.87Å; E852-R1104 IonicContact OE1-NE 2.81Å; E852-R1104 PolarHBondContact OE1-NE 3.13Å; E852-R1104 IonicContact OE1-NH2 2.86Å; E852-R1104 PolarHBondContact OE1-NH2 2.82Å; N879-R1104 PolarHBondContact ND2-NH2 2.98Å; N879-R1104 VanDerWaalsContact ND2-NH2 3.11Å; R1104-F1106 HydrophobicContact CB-CD2 4.31Å; R1104-F1106 HydrophobicContact CB-CE2 3.56Å; R1104-F1106 HydrophobicContact CB-CZ 4.03Å; R1104-F1106 HydrophobicContact CG-CE2 4.43Å |
| 1105 | I | 90.8 | Very high | 76 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.7 | 175.4 | -50.1 | 174.4 | 0 | 0 | 0 | 107.6 | A599 C625 M627 L847 Q848 V849 | A599-I1105 HydrophobicContact CB-CD1 3.8Å; A599-I1105 HydrophobicContact CB-CG1 4.17Å; C625-I1105 HydrophobicContact CB-CB 4.3Å; C625-I1105 HydrophobicContact CB-CG2 3.96Å; C625-I1105 PolarHBondContact N-O 3.32Å; C625-I1105 WeakPolarHBondContact O-CB 3.45Å; M627-I1105 HydrophobicContact CB-CD1 3.54Å; M627-I1105 HydrophobicContact SD-CD1 4.41Å; L847-I1105 HydrophobicContact CD1-CG2 4.1Å; L847-I1105 HydrophobicContact CD2-CG2 3.63Å; L847-I1105 HydrophobicContact CG-CG2 3.67Å; Q848-I1105 WeakPolarHBondContact O-CA 3.47Å; V849-I1105 HydrophobicContact CG1-CG1 4.45Å; V849-I1105 HydrophobicContact CG2-CG1 4.36Å; V849-I1105 HydrophobicContact CG2-CG2 4.42Å |
| 1106 | F | 90.4 | Very high | 78.5 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.9 | 177.3 | -63.1 | -79.6 | 0 | 0 | 0 | 110.1 | P603 D622 K623 L847 Q848 V850 R1104 | P603-F1106 HydrophobicContact CG-CE1 4.15Å; P603-F1106 HydrophobicContact CG-CZ 4.36Å; D622-F1106 HydrophobicContact CB-CB 4.34Å; D622-F1106 HydrophobicContact CB-CD1 4.21Å; D622-F1106 HydrophobicContact CB-CG 4.38Å; D622-F1106 VanDerWaalsContact O-CD1 3.29Å; D622-F1106 WeakPolarHBondContact O-CD1 3.18Å; K623-F1106 CarbonylContact O-C 3.53Å; K623-F1106 WeakPolarHBondContact O-CA 3.26Å; L847-F1106 WeakPolarHBondContact CA-O 3.16Å; Q848-F1106 PolarHBondContact N-O 2.78Å; Q848-F1106 PolarHBondContact O-N 3Å; V850-F1106 HydrophobicContact CG2-CD2 4.15Å; V850-F1106 HydrophobicContact CG2-CE2 3.83Å; R1104-F1106 HydrophobicContact CB-CD2 4.31Å; R1104-F1106 HydrophobicContact CB-CE2 3.56Å; R1104-F1106 HydrophobicContact CB-CZ 4.03Å; R1104-F1106 HydrophobicContact CG-CE2 4.43Å |
| 1107 | M | 87.9 | Confident | 80.9 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 94.3 | 170 | -79.1 | -81.8 | -78.8 | 0 | 0 | 107.2 | A563 K623 C625 W838 H842 A845 F1109 | A563-M1107 HydrophobicContact CB-CE 4.38Å; A563-M1107 HydrophobicContact CB-CG 4.12Å; K623-M1107 HydrophobicContact CB-CB 4.26Å; K623-M1107 PolarHBondContact N-O 3.24Å; K623-M1107 PolarHBondContact O-N 2.99Å; C625-M1107 HydrophobicContact CB-CG 3.78Å; W838-M1107 HydrophobicContact CZ2-CE 4.23Å; W838-M1107 HydrophobicContact CZ2-SD 4.43Å; H842-M1107 HydrophobicContact CB-CE 3.81Å; H842-M1107 WeakPolarHBondContact CD2-CE 3.34Å; A845-M1107 HydrophobicContact CB-CB 4.45Å; A845-M1107 HydrophobicContact CB-CE 3.77Å; A845-M1107 HydrophobicContact CB-SD 4.09Å; M1107-F1109 HydrophobicContact CB-CE2 4.15Å; M1107-F1109 WeakPolarHBondContact O-CD2 3.39Å; M1107-F1109 PolarHBondContact O-N 3.05Å |
| 1108 | R | 85.4 | Confident | 83 | Confident | 106 Ų | 106 | 41.4 Ų | 41.4 | 40% | 0.4 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 106.1 | -177.7 | -173.2 | 176.7 | -161.9 | 105 | 7.7 | 110.2 | D622 A845 K846 | D622-R1108 WeakPolarHBondContact OD1-CB 3.28Å; D622-R1108 WeakPolarHBondContact OD1-CD 3.04Å; D622-R1108 WeakPolarHBondContact OD1-CG 3.44Å; D622-R1108 IonicContact OD1-CZ 2.94Å; D622-R1108 IonicContact OD1-NE 3.13Å; D622-R1108 IonicContact OD1-NH1 2.88Å; D622-R1108 PolarHBondContact OD1-NH1 2.88Å; D622-R1108 IonicContact OD2-CZ 3.5Å; D622-R1108 IonicContact OD2-NH1 3.44Å; D622-R1108 PolarHBondContact OD2-NH1 3.01Å; D622-R1108 IonicContact OD2-NH2 3.56Å; A845-R1108 CarbonylContact C-O 3.57Å; A845-R1108 WeakPolarHBondContact CA-O 3.33Å; K846-R1108 PolarHBondContact N-O 3.21Å; K846-R1108 PolarHBondContact O-N 3.03Å |
| 1109 | F | 82.3 | Confident | 85.1 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 9% | 0.088 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 141.8 | 176.5 | -70.7 | -98.6 | 0 | 0 | 0 | 110.7 | L565 D621 K623 A845 M1107 C1174 | L565-F1109 HydrophobicContact CD2-CE2 4.32Å; L565-F1109 HydrophobicContact CD2-CZ 4.05Å; D621-F1109 PolarHBondContact O-N 3.44Å; K623-F1109 HydrophobicContact CB-CE2 4.14Å; K623-F1109 HydrophobicContact CG-CD2 3.82Å; K623-F1109 HydrophobicContact CG-CE2 3.61Å; A845-F1109 HydrophobicContact CB-CD1 4.03Å; A845-F1109 HydrophobicContact CB-CD2 4.24Å; A845-F1109 HydrophobicContact CB-CE1 3.98Å; A845-F1109 HydrophobicContact CB-CE2 4.17Å; A845-F1109 HydrophobicContact CB-CG 4.16Å; A845-F1109 HydrophobicContact CB-CZ 4.05Å; M1107-F1109 HydrophobicContact CB-CE2 4.15Å; M1107-F1109 WeakPolarHBondContact O-CD2 3.39Å; M1107-F1109 PolarHBondContact O-N 3.05Å; F1109-C1174 HydrophobicContact CB-CB 3.67Å; F1109-C1174 HydrophobicContact CD1-CB 3.84Å; F1109-C1174 HydrophobicContact CD2-CB 3.81Å; F1109-C1174 HydrophobicContact CE1-CB 4.46Å; F1109-C1174 HydrophobicContact CE2-CB 4.45Å; F1109-C1174 HydrophobicContact CG-CB 3.48Å; F1109-C1174 VanDerWaalsContact CG-CB 3.48Å |
| 1110 | R | 73.8 | Confident | 86.3 | Confident | 191 Ų | 191 | 33.4 Ų | 33.4 | 72% | 0.721 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -84.1 | -24.6 | 177.3 | -64.4 | -178.5 | -165.2 | 173.4 | 10.8 | 113.3 | E844 | E844-R1110 WeakPolarHBondContact O-CG 3.45Å; E844-R1110 PolarHBondContact O-N 2.87Å; E844-R1110 VanDerWaalsContact O-N 3.13Å |
| 1111 | T | 77.9 | Confident | 87.2 | Confident | 63 Ų | 63 | 30.8 Ų | 30.8 | 39% | 0.387 | 14% | 0.144 | S | C | . | . | trans | -129.7 | 138.8 | -177.9 | 47.9 | 0 | 0 | 0 | 0 | 109.3 | H1113 | T1111-H1113 PolarHBondContact OG1-NE2 2.85Š| ||
| 1112 | S | 81.5 | Confident | 87.7 | Confident | 36 Ų | 36 | 30.7 Ų | 30.7 | 25% | 0.252 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.2 | 173.3 | -168.5 | 0 | 0 | 0 | 0 | 107 | E1172 | S1112-E1172 VanDerWaalsContact CB-OE1 3.27Å; S1112-E1172 WeakPolarHBondContact CB-OE1 3.32Å; S1112-E1172 VanDerWaalsContact OG-CD 3.25Å; S1112-E1172 WeakPolarHBondContact OG-CG 3.44Å; S1112-E1172 PolarHBondContact OG-OE1 2.71Å |
| 1113 | H | 87.8 | Confident | 88 | Confident | 25 Ų | 25 | 28.6 Ų | 28.6 | 12% | 0.116 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138 | -169 | -68.9 | -80 | 0 | 0 | 0 | 109.8 | T1111 W1115 M1173 G1175 P1177 L1247 D1249 | T1111-H1113 PolarHBondContact OG1-NE2 2.85Å; H1113-W1115 VanDerWaalsContact O-CD1 3.28Å; H1113-M1173 PolarHBondContact N-O 3Å; H1113-M1173 PolarHBondContact O-N 2.79Å; H1113-G1175 PolarHBondContact CD2-O 2.85Å; H1113-G1175 VanDerWaalsContact CD2-O 3.3Å; H1113-P1177 HydrophobicContact CB-CG 4.47Å; H1113-L1247 HydrophobicContact CB-CD1 3.88Å; H1113-D1249 WeakPolarHBondContact CA-OD1 3.28Å; H1113-D1249 IonicContact CE1-OD2 2.86Å; H1113-D1249 IonicContact CG-OD1 3.02Å; H1113-D1249 IonicContact CG-OD2 2.8Å; H1113-D1249 IonicContact ND1-OD1 3.74Å; H1113-D1249 PolarHBondContact ND1-OD1 3.29Å; H1113-D1249 IonicContact ND1-OD2 3.63Å; H1113-D1249 PolarHBondContact ND1-OD2 2.87Å |
| 1114 | I | 87.2 | Confident | 88 | Confident | 55 Ų | 55 | 28.5 Ų | 28.5 | 28% | 0.282 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.8 | -176.1 | -58.4 | 178.6 | 0 | 0 | 0 | 109.1 | L1248 D1249 | I1114-L1248 HydrophobicContact CG2-CB 4.5Å; I1114-L1248 WeakPolarHBondContact O-CB 3.39Å; I1114-L1248 PolarHBondContact O-N 3.35Å; I1114-D1249 PolarHBondContact N-OD1 2.91Å |
| 1115 | W | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 161.7 | -177.3 | -61.1 | 83.4 | 0 | 0 | 0 | 112.5 | H1113 I1171 M1173 P1177 I1180 V1212 L1214 L1245 I1246 L1247 | H1113-W1115 VanDerWaalsContact O-CD1 3.28Å; W1115-I1171 HydrophobicContact CB-CB 4.22Å; W1115-I1171 WeakPolarHBondContact CB-O 3.35Å; W1115-I1171 PolarHBondContact N-O 3.5Å; W1115-I1171 PolarHBondContact O-N 3.45Å; W1115-M1173 HydrophobicContact CB-CE 3.9Å; W1115-M1173 HydrophobicContact CD2-CE 3.88Å; W1115-M1173 HydrophobicContact CG-CE 3.44Å; W1115-M1173 VanDerWaalsContact CG-CE 3.44Å; W1115-P1177 HydrophobicContact CH2-CB 3.9Å; W1115-P1177 HydrophobicContact CZ2-CB 3.74Å; W1115-P1177 HydrophobicContact CZ2-CG 4.24Å; W1115-I1180 HydrophobicContact CH2-CB 4.18Å; W1115-I1180 HydrophobicContact CH2-CG2 3.83Å; W1115-I1180 HydrophobicContact CZ2-CB 3.96Å; W1115-I1180 HydrophobicContact CZ2-CD1 3.64Å; W1115-I1180 HydrophobicContact CZ2-CG1 4.38Å; W1115-I1180 HydrophobicContact CZ2-CG2 3.82Å; W1115-I1180 HydrophobicContact CZ3-CG2 4.43Å; W1115-V1212 HydrophobicContact CH2-CG1 3.84Å; W1115-V1212 HydrophobicContact CZ3-CG1 3.6Å; W1115-L1214 HydrophobicContact CH2-CD2 3.79Å; W1115-L1214 HydrophobicContact CZ3-CD2 4.33Å; W1115-L1245 HydrophobicContact CB-CD1 3.94Å; W1115-L1245 HydrophobicContact CD2-CG 4.37Å; W1115-L1245 HydrophobicContact CE3-CD1 4.23Å; W1115-L1245 HydrophobicContact CE3-CD2 4.21Å; W1115-L1245 HydrophobicContact CE3-CG 3.71Å; W1115-L1245 HydrophobicContact CG-CD1 4.48Å; W1115-L1245 HydrophobicContact CZ3-CD2 4.47Å; W1115-L1245 HydrophobicContact CZ3-CG 4.22Å; W1115-I1246 CarbonylContact C-O 3.52Å; W1115-I1246 WeakPolarHBondContact CA-O 3.18Å; W1115-L1247 HydrophobicContact CD2-CB 4.47Å; W1115-L1247 HydrophobicContact CD2-CD1 3.98Å; W1115-L1247 HydrophobicContact CE3-CB 3.96Å; W1115-L1247 HydrophobicContact CE3-CD1 4.3Å; W1115-L1247 HydrophobicContact CH2-CB 4.16Å; W1115-L1247 HydrophobicContact CH2-CD1 4.19Å; W1115-L1247 HydrophobicContact CZ2-CD1 3.81Å; W1115-L1247 HydrophobicContact CZ3-CB 3.79Å; W1115-L1247 HydrophobicContact CZ3-CD1 4.4Å |
| 1116 | H | 89.4 | Confident | 87.3 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 109.8 | -179.2 | -173.5 | 96.4 | 0 | 0 | 0 | 108.7 | R1118 I1167 F1168 E1169 I1246 L1248 | H1116-R1118 WeakPolarHBondContact NE2-CD 3.39Å; H1116-R1118 WeakPolarHBondContact NE2-CG 3.11Å; H1116-R1118 PolarHBondContact NE2-NE 3.3Å; H1116-I1167 WeakPolarHBondContact CE1-CG2 3.38Å; H1116-I1167 WeakPolarHBondContact NE2-CG2 3.01Å; H1116-F1168 WeakPolarHBondContact CA-O 3.33Å; H1116-E1169 WeakPolarHBondContact CE1-CG 3.17Å; H1116-E1169 IonicContact CE1-OE1 2.78Å; H1116-E1169 PolarHBondContact CE1-OE1 2.78Å; H1116-I1246 HydrophobicContact CB-CB 4.48Å; H1116-I1246 PolarHBondContact N-O 3.02Å; H1116-I1246 PolarHBondContact O-N 2.91Å; H1116-L1248 HydrophobicContact CB-CD1 3.91Å; H1116-L1248 HydrophobicContact CB-CD2 4.06Å; H1116-L1248 HydrophobicContact CB-CG 3.95Å |
| 1117 | L | 92 | Very high | 87 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131 | 177.3 | 176.8 | 81.3 | 0 | 0 | 0 | 109.3 | F1144 F1168 I1171 V1187 P1210 E1244 L1245 | L1117-F1144 HydrophobicContact CD2-CB 3.7Å; L1117-F1144 HydrophobicContact CD2-CD1 3.85Å; L1117-F1144 HydrophobicContact CD2-CD2 4.07Å; L1117-F1144 HydrophobicContact CD2-CE1 4.47Å; L1117-F1144 HydrophobicContact CD2-CG 3.62Å; L1117-F1168 HydrophobicContact CB-CB 4.1Å; L1117-F1168 HydrophobicContact CB-CD2 4.4Å; L1117-F1168 HydrophobicContact CD2-CD2 3.88Å; L1117-F1168 HydrophobicContact CD2-CE2 4.24Å; L1117-F1168 HydrophobicContact CD2-CG 4.33Å; L1117-F1168 HydrophobicContact CG-CD2 4.31Å; L1117-F1168 PolarHBondContact N-O 3.09Å; L1117-F1168 VanDerWaalsContact N-O 3.08Å; L1117-F1168 PolarHBondContact O-N 3.13Å; L1117-I1171 HydrophobicContact CB-CD1 3.55Å; L1117-V1187 HydrophobicContact CD1-CG2 4.09Å; L1117-V1187 HydrophobicContact CD2-CG2 3.92Å; L1117-P1210 HydrophobicContact CD1-CB 3.92Å; L1117-E1244 CarbonylContact C-O 3.58Å; L1117-E1244 WeakPolarHBondContact CA-O 3.4Å; L1117-E1244 WeakPolarHBondContact CD1-O 3.26Å; L1117-L1245 HydrophobicContact CB-CD1 4.01Å; L1117-L1245 HydrophobicContact CD1-CB 4.12Å; L1117-L1245 HydrophobicContact CD1-CD1 4.3Å |
| 1118 | R | 91.6 | Very high | 86.8 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 5% | 0.053 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 119.5 | 169.4 | -68.3 | 162.4 | 169.7 | -140.4 | -6.7 | 108.5 | H1116 Y1120 T1165 F1243 E1244 P1254 P1255 | H1116-R1118 WeakPolarHBondContact NE2-CD 3.39Å; H1116-R1118 WeakPolarHBondContact NE2-CG 3.11Å; H1116-R1118 PolarHBondContact NE2-NE 3.3Å; R1118-Y1120 HydrophobicContact CB-CE1 4.35Å; R1118-Y1120 HydrophobicContact CB-CE2 4.15Å; R1118-Y1120 WeakPolarHBondContact CD-OH 3.39Å; R1118-T1165 HydrophobicContact CB-CG2 4.15Å; R1118-T1165 HydrophobicContact CG-CG2 4.48Å; R1118-F1243 WeakPolarHBondContact O-CA 3.2Å; R1118-E1244 HydrophobicContact CB-CG 3.9Å; R1118-E1244 WeakPolarHBondContact CD-OE1 3.45Å; R1118-E1244 PolarHBondContact N-O 2.84Å; R1118-E1244 IonicContact NH1-OE1 2.72Å; R1118-E1244 PolarHBondContact O-N 2.69Å; R1118-P1254 PolarHBondContact NH2-O 3.42Å; R1118-P1255 PolarHBondContact NH2-O 2.96Å |
| 1119 | A | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 108.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | I1121 T1165 L1166 F1168 F1243 | A1119-I1121 HydrophobicContact CB-CD1 4.32Å; A1119-I1121 PolarHBondContact O-N 2.69Å; A1119-T1165 CarbonylContact O-C 3.55Å; A1119-T1165 WeakPolarHBondContact O-CA 3.11Å; A1119-L1166 HydrophobicContact CB-CB 4.22Å; A1119-L1166 PolarHBondContact N-O 2.88Å; A1119-L1166 PolarHBondContact O-N 3.14Å; A1119-F1168 HydrophobicContact CB-CE2 4.45Å; A1119-F1243 HydrophobicContact CB-CD1 3.49Å; A1119-F1243 VanDerWaalsContact CB-CD1 3.49Å; A1119-F1243 HydrophobicContact CB-CE1 3.41Å; A1119-F1243 VanDerWaalsContact CB-CE1 3.41Å |
| 1120 | Y | 92.8 | Very high | 86.3 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 94.8 | 178.8 | -58.4 | -66.1 | 0 | 0 | 0 | 108.9 | R1118 T1165 A1241 A1242 E1244 V1266 P1267 I1270 | R1118-Y1120 HydrophobicContact CB-CE1 4.35Å; R1118-Y1120 HydrophobicContact CB-CE2 4.15Å; R1118-Y1120 WeakPolarHBondContact CD-OH 3.39Å; Y1120-T1165 HydrophobicContact CD1-CG2 3.63Å; Y1120-T1165 VanDerWaalsContact CD1-OG1 3.32Å; Y1120-T1165 WeakPolarHBondContact CD1-OG1 3.46Å; Y1120-T1165 HydrophobicContact CE1-CG2 3.51Å; Y1120-A1241 CarbonylContact O-C 3.58Å; Y1120-A1241 WeakPolarHBondContact O-CA 3.07Å; Y1120-A1241 WeakPolarHBondContact O-CB 3.37Å; Y1120-A1242 WeakPolarHBondContact CB-O 3.22Å; Y1120-A1242 HydrophobicContact CD2-CB 4.16Å; Y1120-A1242 PolarHBondContact N-O 2.87Å; Y1120-A1242 PolarHBondContact O-N 2.81Å; Y1120-E1244 HydrophobicContact CE2-CG 3.9Å; Y1120-E1244 PolarHBondContact OH-OE1 2.68Å; Y1120-V1266 HydrophobicContact CD1-CG1 4.2Å; Y1120-P1267 HydrophobicContact CD1-CG 4.47Å; Y1120-P1267 HydrophobicContact CE1-CG 3.69Å; Y1120-I1270 HydrophobicContact CD1-CD1 4.28Å; Y1120-I1270 HydrophobicContact CD2-CD1 3.83Å; Y1120-I1270 HydrophobicContact CE1-CD1 3.95Å; Y1120-I1270 HydrophobicContact CE2-CD1 3.44Å; Y1120-I1270 VanDerWaalsContact CE2-CD1 3.44Å; Y1120-I1270 HydrophobicContact CG-CD1 4.23Å |
| 1121 | I | 93.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 99.7 | -178.4 | -52.6 | -54 | 0 | 0 | 0 | 108.6 | A1119 V1140 T1151 W1162 D1163 E1164 L1166 I1189 I1239 A1241 F1243 | A1119-I1121 HydrophobicContact CB-CD1 4.32Å; A1119-I1121 PolarHBondContact O-N 2.69Å; I1121-V1140 HydrophobicContact CG2-CB 4.45Å; I1121-V1140 HydrophobicContact CG2-CG2 4.22Å; I1121-T1151 HydrophobicContact CB-CG2 4.09Å; I1121-T1151 HydrophobicContact CG1-CG2 4.3Å; I1121-T1151 HydrophobicContact CG2-CG2 3.89Å; I1121-W1162 HydrophobicContact CG2-CD2 4.21Å; I1121-W1162 HydrophobicContact CG2-CE3 3.7Å; I1121-W1162 HydrophobicContact CG2-CZ3 4.24Å; I1121-D1163 PolarHBondContact O-N 3.32Å; I1121-E1164 PolarHBondContact N-O 3.41Å; I1121-E1164 PolarHBondContact O-N 3.05Å; I1121-L1166 HydrophobicContact CG1-CD1 4.25Å; I1121-L1166 HydrophobicContact CG1-CG 4.45Å; I1121-I1189 HydrophobicContact CD1-CD1 4.42Å; I1121-I1239 HydrophobicContact CG2-CD1 4.19Å; I1121-A1241 HydrophobicContact CD1-CB 4.06Å; I1121-F1243 HydrophobicContact CD1-CE1 3.98Å; I1121-F1243 HydrophobicContact CD1-CZ 3.72Å |
| 1122 | F | 90.8 | Very high | 86 | Confident | 25 Ų | 25 | 27.9 Ų | 27.9 | 11% | 0.11 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -64.2 | -172.1 | -167.5 | -107.9 | 0 | 0 | 0 | 112.4 | W1162 D1163 L1224 L1240 V1266 R1271 P1272 | F1122-W1162 PolarHBondContact O-N 3.44Å; F1122-D1163 HydrophobicContact CD2-CB 4.17Å; F1122-D1163 HydrophobicContact CE2-CB 4.14Å; F1122-D1163 PolarHBondContact O-N 3.39Å; F1122-L1224 HydrophobicContact CB-CD1 3.95Å; F1122-L1224 HydrophobicContact CB-CD2 4.23Å; F1122-L1224 HydrophobicContact CD1-CD1 4.21Å; F1122-L1224 HydrophobicContact CD2-CD1 4.38Å; F1122-L1224 HydrophobicContact CG-CD1 3.92Å; F1122-L1240 WeakPolarHBondContact CB-O 3.36Å; F1122-L1240 HydrophobicContact CD1-CD2 3.95Å; F1122-L1240 PolarHBondContact N-O 3.41Å; F1122-L1240 VanDerWaalsContact N-O 3.14Å; F1122-V1266 HydrophobicContact CD2-CB 4.44Å; F1122-V1266 HydrophobicContact CD2-CG2 4.19Å; F1122-R1271 HydrophobicContact CE2-CG 4.34Å; F1122-P1272 HydrophobicContact CE1-CG 3.94Å; F1122-P1272 HydrophobicContact CZ-CG 4.09Å |
| 1123 | Q | 89.3 | Confident | 85.4 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 166.5 | -179.2 | 68.1 | -174.8 | -4.3 | 0 | 0 | 112.1 | P1160 I1161 W1226 L1240 Y1342 | Q1123-P1160 CarbonylContact C-O 3.53Å; Q1123-P1160 WeakPolarHBondContact CA-O 3.41Å; Q1123-P1160 VanDerWaalsContact CB-O 3.29Å; Q1123-P1160 WeakPolarHBondContact CB-O 3.44Å; Q1123-I1161 HydrophobicContact CB-CB 4.3Å; Q1123-I1161 HydrophobicContact CB-CG1 3.9Å; Q1123-I1161 HydrophobicContact CB-CG2 4.39Å; Q1123-W1226 HydrophobicContact CG-CH2 3.77Å; Q1123-W1226 HydrophobicContact CG-CZ2 4.37Å; Q1123-W1226 HydrophobicContact CG-CZ3 4.46Å; Q1123-L1240 HydrophobicContact CG-CB 3.82Å; Q1123-L1240 HydrophobicContact CG-CD2 4.01Å; Q1123-L1240 HydrophobicContact CG-CG 4.48Å; Q1123-L1240 PolarHBondContact N-O 3Å; Q1123-L1240 PolarHBondContact O-N 2.9Å; Q1123-Y1342 PolarHBondContact NE2-O 3.2Å |
| 1124 | A | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 162.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1127 C1159 P1160 W1162 E1238 I1239 | A1124-V1127 HydrophobicContact CB-CG2 3.85Å; A1124-C1159 CarbonylContact O-C 3.55Å; A1124-C1159 VanDerWaalsContact O-CA 3.22Å; A1124-C1159 WeakPolarHBondContact O-CA 3.49Å; A1124-P1160 HydrophobicContact CB-CG 3.97Å; A1124-P1160 PolarHBondContact N-O 2.94Å; A1124-W1162 HydrophobicContact CB-CH2 3.85Å; A1124-W1162 HydrophobicContact CB-CZ3 3.71Å; A1124-E1238 CarbonylContact C-O 3.53Å; A1124-E1238 WeakPolarHBondContact CA-O 3.32Å; A1124-E1238 WeakPolarHBondContact CB-O 3.47Å; A1124-I1239 HydrophobicContact CB-CB 4.43Å; A1124-I1239 HydrophobicContact CB-CG1 4.44Å |
| 1125 | R | 85.1 | Confident | 84.1 | Confident | 48 Ų | 48 | 25.5 Ų | 25.5 | 18% | 0.181 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.4 | 176.6 | 69.9 | -176.7 | -179.6 | -176.6 | 1 | 112.1 | V1127 W1226 G1237 E1238 P1345 | R1125-V1127 PolarHBondContact O-N 3.4Å; R1125-W1226 HydrophobicContact CB-CH2 4Å; R1125-W1226 HydrophobicContact CB-CZ3 4.15Å; R1125-W1226 HydrophobicContact CG-CE3 4.25Å; R1125-W1226 HydrophobicContact CG-CH2 3.69Å; R1125-W1226 HydrophobicContact CG-CZ2 4.46Å; R1125-W1226 HydrophobicContact CG-CZ3 3.57Å; R1125-G1237 WeakPolarHBondContact O-CA 3.35Å; R1125-E1238 HydrophobicContact CG-CB 4.16Å; R1125-E1238 IonicContact CZ-OE2 3.31Å; R1125-E1238 PolarHBondContact N-O 3.3Å; R1125-E1238 IonicContact NE-OE2 2.85Å; R1125-E1238 PolarHBondContact NE-OE2 3.48Å; R1125-E1238 IonicContact NH2-OE2 3.34Å; R1125-E1238 PolarHBondContact NH2-OE2 3.05Å; R1125-E1238 PolarHBondContact O-N 3.43Å; R1125-P1345 HydrophobicContact CB-CG 3.92Å |
| 1126 | S | 80 | Confident | 83.9 | Confident | 58 Ų | 58 | 25.5 Ų | 25.5 | 41% | 0.406 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 53.4 | 37.2 | 177.4 | -53 | 0 | 0 | 0 | 0 | 113.2 | L1158 G1237 | S1126-L1158 PolarHBondContact N-O 3.34Å; S1126-G1237 VanDerWaalsContact O-CA 3.24Å; S1126-G1237 WeakPolarHBondContact O-CA 3.01Å |
| 1127 | V | 86 | Confident | 84.1 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 148.3 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | A1124 R1125 A1129 L1158 L1191 L1203 | A1124-V1127 HydrophobicContact CB-CG2 3.85Å; R1125-V1127 PolarHBondContact O-N 3.4Å; V1127-A1129 PolarHBondContact O-N 3.18Å; V1127-L1158 VanDerWaalsContact CB-O 3.31Å; V1127-L1158 WeakPolarHBondContact CB-O 3.43Å; V1127-L1158 WeakPolarHBondContact CG2-O 3.35Å; V1127-L1158 PolarHBondContact N-O 3Å; V1127-L1158 WeakPolarHBondContact O-CD2 3.31Å; V1127-L1191 HydrophobicContact CB-CD2 4.27Å; V1127-L1191 HydrophobicContact CG1-CD2 3.56Å; V1127-L1191 HydrophobicContact CG2-CD2 3.72Å; V1127-L1203 HydrophobicContact CG1-CD1 3.42Å; V1127-L1203 VanDerWaalsContact CG1-CD1 3.42Å |
| 1128 | L | 82.9 | Confident | 84.2 | Confident | 62 Ų | 62 | 26.2 Ų | 26.2 | 33% | 0.325 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 131.5 | 176.5 | -62.3 | 178.6 | 0 | 0 | 0 | 111.8 | S1136 L1203 K1231 G1236 | L1128-S1136 PolarHBondContact O-OG 3.5Å; L1128-L1203 HydrophobicContact CB-CD2 4.35Å; L1128-K1231 HydrophobicContact CD1-CB 4.44Å; L1128-K1231 HydrophobicContact CD1-CD 3.71Å; L1128-G1236 PolarHBondContact N-O 3.49Å |
| 1129 | A | 76.4 | Confident | 84.4 | Confident | 22 Ų | 22 | 25.8 Ų | 25.8 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 125.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | V1127 G1134 L1135 S1136 L1158 K1490 | V1127-A1129 PolarHBondContact O-N 3.18Å; A1129-G1134 VanDerWaalsContact CB-O 3.24Å; A1129-G1134 WeakPolarHBondContact CB-O 3.37Å; A1129-L1135 WeakPolarHBondContact CA-O 3.46Å; A1129-S1136 WeakPolarHBondContact CA-OG 3.12Å; A1129-L1158 HydrophobicContact CB-CD1 4.23Å; A1129-L1158 HydrophobicContact CB-CD2 4Å; A1129-K1490 HydrophobicContact CB-CB 4.33Å |
| 1130 | A | 79.8 | Confident | 84.5 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | trans | -123.2 | -16.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1135 S1136 D1193 H1201 L1203 K1490 | A1130-L1135 PolarHBondContact N-O 2.98Å; A1130-S1136 PolarHBondContact N-OG 3.01Å; A1130-D1193 HydrophobicContact CB-CB 3.73Å; A1130-D1193 WeakPolarHBondContact CB-OD2 3.32Å; A1130-H1201 WeakPolarHBondContact CB-ND1 3.19Å; A1130-L1203 HydrophobicContact CB-CD2 3.72Å; A1130-K1490 WeakPolarHBondContact O-CD 3.04Å; A1130-K1490 VanDerWaalsContact O-CE 3.27Å; A1130-K1490 WeakPolarHBondContact O-CE 3.42Å; A1130-K1490 PolarHBondContact O-NZ 2.96Å | ||
| 1131 | D | 79.1 | Confident | 84.5 | Confident | 44 Ų | 44 | 26 Ų | 26 | 24% | 0.235 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -94.3 | 158.2 | -173.4 | -168.2 | 18.3 | 0 | 0 | 0 | 112.1 | S1133 G1134 L1135 K1490 | D1131-S1133 WeakPolarHBondContact CB-OG 3.27Å; D1131-S1133 PolarHBondContact O-N 2.88Å; D1131-S1133 WeakPolarHBondContact OD2-CB 3.39Å; D1131-S1133 PolarHBondContact OD2-OG 3.43Å; D1131-G1134 PolarHBondContact O-N 3.15Å; D1131-G1134 VanDerWaalsContact O-N 3.08Å; D1131-L1135 WeakPolarHBondContact CB-O 3.46Å; D1131-L1135 PolarHBondContact N-O 3.46Å; D1131-K1490 WeakPolarHBondContact O-CD 3.41Å |
| 1132 | Q | 67.5 | Low | 84.5 | Confident | 173 Ų | 173 | 26 Ų | 26 | 81% | 0.808 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -13.3 | 177.7 | -66.5 | -171.1 | 24.1 | 0 | 0 | 113.2 | G1134 | Q1132-G1134 PolarHBondContact O-N 3.37Š|
| 1133 | S | 67.6 | Low | 84.6 | Confident | 36 Ų | 36 | 25 Ų | 25 | 25% | 0.252 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.1 | 171.6 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | D1131 L1135 M1361 | D1131-S1133 WeakPolarHBondContact CB-OG 3.27Å; D1131-S1133 PolarHBondContact O-N 2.88Å; D1131-S1133 WeakPolarHBondContact OD2-CB 3.39Å; D1131-S1133 PolarHBondContact OD2-OG 3.43Å; S1133-L1135 VanDerWaalsContact C-N 3.31Å; S1133-L1135 WeakPolarHBondContact OG-CB 3.29Å; S1133-L1135 PolarHBondContact OG-N 3.33Å; S1133-L1135 VanDerWaalsContact OG-N 3.12Å; S1133-M1361 WeakPolarHBondContact O-CE 3.37Å |
| 1134 | G | 68.5 | Low | 84.8 | Confident | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 83 | 9.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1129 D1131 Q1132 | A1129-G1134 VanDerWaalsContact CB-O 3.24Å; A1129-G1134 WeakPolarHBondContact CB-O 3.37Å; D1131-G1134 PolarHBondContact O-N 3.15Å; D1131-G1134 VanDerWaalsContact O-N 3.08Å; Q1132-G1134 PolarHBondContact O-N 3.37Å |
| 1135 | L | 80.6 | Confident | 84.7 | Confident | 27 Ų | 27 | 26.6 Ų | 26.6 | 14% | 0.141 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -118.4 | -158 | 176.8 | -57.1 | 169.6 | 0 | 0 | 0 | 108.9 | A1129 A1130 D1131 S1133 Q1156 L1158 M1361 | A1129-L1135 WeakPolarHBondContact CA-O 3.46Å; A1130-L1135 PolarHBondContact N-O 2.98Å; D1131-L1135 WeakPolarHBondContact CB-O 3.46Å; D1131-L1135 PolarHBondContact N-O 3.46Å; S1133-L1135 VanDerWaalsContact C-N 3.31Å; S1133-L1135 WeakPolarHBondContact OG-CB 3.29Å; S1133-L1135 PolarHBondContact OG-N 3.33Å; S1133-L1135 VanDerWaalsContact OG-N 3.12Å; L1135-Q1156 HydrophobicContact CD1-CB 3.98Å; L1135-Q1156 WeakPolarHBondContact CD1-O 3.37Å; L1135-L1158 HydrophobicContact CD2-CD1 4.42Å; L1135-L1158 HydrophobicContact CD2-CG 4.02Å; L1135-M1361 HydrophobicContact CD1-CE 3.9Å; L1135-M1361 HydrophobicContact CD2-CE 3.91Å; L1135-M1361 HydrophobicContact CG-CE 3.75Å |
| 1136 | S | 86.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -150.1 | 164.9 | 171.2 | -61.4 | 0 | 0 | 0 | 0 | 108.8 | L1128 A1129 A1130 P1138 Q1156 T1157 D1193 | L1128-S1136 PolarHBondContact O-OG 3.5Å; A1129-S1136 WeakPolarHBondContact CA-OG 3.12Å; A1130-S1136 PolarHBondContact N-OG 3.01Å; S1136-P1138 WeakPolarHBondContact O-CD 3.31Å; S1136-Q1156 CarbonylContact O-C 3.53Å; S1136-Q1156 VanDerWaalsContact O-CA 3.28Å; S1136-Q1156 WeakPolarHBondContact O-CA 3.27Å; S1136-Q1156 PolarHBondContact O-N 2.92Å; S1136-Q1156 VanDerWaalsContact O-N 3.14Å; S1136-T1157 PolarHBondContact O-N 2.79Å; S1136-D1193 WeakPolarHBondContact CA-OD1 3.09Å; S1136-D1193 VanDerWaalsContact CB-OD1 3.25Å; S1136-D1193 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 1137 | D | 91.9 | Very high | 84.8 | Confident | 22 Ų | 22 | 24 Ų | 24 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | trans | -104.8 | 69 | 167.7 | -76.4 | 0.6 | 0 | 0 | 0 | 109.5 | I1153 I1154 Q1155 Q1156 D1193 Y1194 | D1137-I1153 HydrophobicContact CB-CG2 4.02Å; D1137-I1154 CarbonylContact C-O 3.58Å; D1137-I1154 WeakPolarHBondContact CA-O 3.4Å; D1137-Q1155 VanDerWaalsContact OD1-CA 3.24Å; D1137-Q1155 WeakPolarHBondContact OD1-CA 3.29Å; D1137-Q1156 PolarHBondContact OD1-N 3.45Å; D1137-D1193 PolarHBondContact N-OD1 3.12Å; D1137-Y1194 PolarHBondContact O-N 3.33Å | ||
| 1138 | P | 94.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 139.1 | -168.2 | 27.7 | -38.9 | 0 | 0 | 0 | 115.5 | S1136 I1154 T1157 P1160 W1162 L1191 F1192 | S1136-P1138 WeakPolarHBondContact O-CD 3.31Å; P1138-I1154 WeakPolarHBondContact CD-O 3.33Å; P1138-I1154 PolarHBondContact O-N 3.3Å; P1138-I1154 VanDerWaalsContact O-N 3.14Å; P1138-T1157 WeakPolarHBondContact CD-O 3.41Å; P1138-T1157 HydrophobicContact CG-CG2 3.86Å; P1138-P1160 HydrophobicContact CB-CG 4.07Å; P1138-P1160 HydrophobicContact CG-CB 3.74Å; P1138-P1160 HydrophobicContact CG-CG 3.58Å; P1138-W1162 HydrophobicContact CB-CZ2 4.25Å; P1138-L1191 HydrophobicContact CB-CD1 4.44Å; P1138-F1192 CarbonylContact C-O 3.43Å; P1138-F1192 VanDerWaalsContact CA-O 3.25Å; P1138-F1192 WeakPolarHBondContact CA-O 3.39Å |
| 1139 | F | 95.9 | Very high | 85.2 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.3 | 163.4 | 72.1 | -82.4 | 0 | 0 | 0 | 111.6 | E1150 I1153 L1191 F1192 D1200 | F1139-E1150 HydrophobicContact CD2-CB 4.4Å; F1139-E1150 HydrophobicContact CD2-CG 4.03Å; F1139-E1150 HydrophobicContact CE2-CG 3.99Å; F1139-I1153 HydrophobicContact CB-CG1 3.95Å; F1139-I1153 HydrophobicContact CD1-CG1 4.05Å; F1139-I1153 HydrophobicContact CG-CG1 4.16Å; F1139-L1191 WeakPolarHBondContact O-CD1 3.19Å; F1139-F1192 HydrophobicContact CD1-CB 4Å; F1139-F1192 HydrophobicContact CE1-CB 3.45Å; F1139-F1192 VanDerWaalsContact CE1-CB 3.45Å; F1139-F1192 HydrophobicContact CE1-CG 4.43Å; F1139-F1192 HydrophobicContact CE2-CB 4.18Å; F1139-F1192 HydrophobicContact CE2-CD2 4.25Å; F1139-F1192 HydrophobicContact CZ-CB 3.56Å; F1139-F1192 HydrophobicContact CZ-CD2 4.24Å; F1139-F1192 HydrophobicContact CZ-CG 4.08Å; F1139-F1192 PolarHBondContact N-O 2.9Å; F1139-F1192 PolarHBondContact O-N 2.86Å; F1139-D1200 HydrophobicContact CE1-CB 4.17Å; F1139-D1200 HydrophobicContact CZ-CB 4.26Å |
| 1140 | V | 95.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.6 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 109.6 | I1121 E1150 T1151 W1162 I1189 L1191 I1239 | I1121-V1140 HydrophobicContact CG2-CB 4.45Å; I1121-V1140 HydrophobicContact CG2-CG2 4.22Å; V1140-E1150 VanDerWaalsContact O-CA 3.28Å; V1140-E1150 WeakPolarHBondContact O-CA 3.44Å; V1140-T1151 HydrophobicContact CB-CG2 3.97Å; V1140-T1151 PolarHBondContact N-OG1 3.26Å; V1140-T1151 PolarHBondContact O-N 2.91Å; V1140-W1162 HydrophobicContact CG2-CE3 4.44Å; V1140-W1162 HydrophobicContact CG2-CH2 3.52Å; V1140-W1162 HydrophobicContact CG2-CZ2 3.79Å; V1140-W1162 HydrophobicContact CG2-CZ3 3.88Å; V1140-I1189 HydrophobicContact CG1-CD1 4.44Å; V1140-I1189 HydrophobicContact CG1-CG2 3.86Å; V1140-L1191 HydrophobicContact CG2-CD1 3.53Å; V1140-I1239 HydrophobicContact CG2-CD1 3.78Å |
| 1141 | R | 93.7 | Very high | 86.6 | Confident | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121 | 163.5 | -174.6 | 176.7 | -67.6 | 133.6 | 5.7 | 109.1 | H613 E1150 E1190 F1192 | H613-R1141 PolarHBondContact ND1-NH2 2.8Å; R1141-E1150 HydrophobicContact CB-CG 4.03Å; R1141-E1150 HydrophobicContact CG-CG 4.1Å; R1141-E1150 IonicContact CZ-OE1 2.87Å; R1141-E1150 IonicContact NE-OE1 2.66Å; R1141-E1150 PolarHBondContact NE-OE1 3.25Å; R1141-E1150 IonicContact NH2-OE1 2.87Å; R1141-E1150 PolarHBondContact NH2-OE1 3.09Å; R1141-E1190 PolarHBondContact N-O 2.88Å; R1141-E1190 PolarHBondContact O-N 3.06Å; R1141-F1192 HydrophobicContact CB-CD2 4.33Å; R1141-F1192 HydrophobicContact CB-CE2 4.15Å; R1141-F1192 VanDerWaalsContact NH1-CE2 3.31Å |
| 1142 | C | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.7 | 178 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | S1148 Q1149 L1166 F1168 V1187 M1188 I1189 | C1142-S1148 CarbonylContact O-C 3.57Å; C1142-S1148 WeakPolarHBondContact O-CA 3.41Å; C1142-S1148 WeakPolarHBondContact O-CB 3.35Å; C1142-Q1149 PolarHBondContact N-O 3.24Å; C1142-Q1149 PolarHBondContact O-N 3.18Å; C1142-L1166 HydrophobicContact CB-CD1 3.67Å; C1142-F1168 HydrophobicContact CB-CE2 4.47Å; C1142-F1168 HydrophobicContact CB-CZ 4.09Å; C1142-F1168 WeakPolarHBondContact O-CZ 3.35Å; C1142-V1187 WeakPolarHBondContact SG-CG1 3.44Å; C1142-M1188 CarbonylContact C-O 3.54Å; C1142-M1188 WeakPolarHBondContact CA-O 3.45Å; C1142-I1189 HydrophobicContact CB-CD1 3.84Å |
| 1143 | S | 92.5 | Very high | 88.4 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 4% | 0.035 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.3 | -179 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | M569 H1147 S1148 M1188 | M569-S1143 WeakPolarHBondContact SD-CB 3.14Å; S1143-H1147 CarbonylContact C-O 3.48Å; S1143-H1147 WeakPolarHBondContact CA-O 3.32Å; S1143-S1148 VanDerWaalsContact OG-CB 3.29Å; S1143-S1148 WeakPolarHBondContact OG-CB 3.29Å; S1143-M1188 PolarHBondContact N-O 3.03Å; S1143-M1188 PolarHBondContact O-N 2.95Å |
| 1144 | F | 93.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.013 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 129.1 | -179.3 | -175.8 | -99.5 | 0 | 0 | 0 | 110.6 | L1117 G1146 H1147 I1171 M1173 P1185 V1187 P1210 L1245 | L1117-F1144 HydrophobicContact CD2-CB 3.7Å; L1117-F1144 HydrophobicContact CD2-CD1 3.85Å; L1117-F1144 HydrophobicContact CD2-CD2 4.07Å; L1117-F1144 HydrophobicContact CD2-CE1 4.47Å; L1117-F1144 HydrophobicContact CD2-CG 3.62Å; F1144-G1146 PolarHBondContact O-N 3.12Å; F1144-H1147 PolarHBondContact N-O 3.38Å; F1144-H1147 WeakPolarHBondContact O-CB 3.21Å; F1144-H1147 PolarHBondContact O-N 2.67Å; F1144-I1171 HydrophobicContact CD1-CD1 3.75Å; F1144-I1171 HydrophobicContact CD1-CG2 4.36Å; F1144-I1171 HydrophobicContact CE1-CD1 3.89Å; F1144-I1171 HydrophobicContact CE1-CG2 4.11Å; F1144-M1173 HydrophobicContact CE1-CE 4.32Å; F1144-M1173 HydrophobicContact CZ-CE 4.42Å; F1144-P1185 HydrophobicContact CE2-CB 3.76Å; F1144-P1185 HydrophobicContact CE2-CG 4.14Å; F1144-P1185 WeakPolarHBondContact CE2-O 3.47Å; F1144-P1185 HydrophobicContact CZ-CB 4.11Å; F1144-P1185 HydrophobicContact CZ-CG 3.97Å; F1144-V1187 HydrophobicContact CD2-CB 4.45Å; F1144-V1187 HydrophobicContact CD2-CG2 3.79Å; F1144-V1187 HydrophobicContact CE2-CG2 4.23Å; F1144-P1210 HydrophobicContact CE2-CG 4.45Å; F1144-L1245 HydrophobicContact CE1-CD1 3.88Å; F1144-L1245 HydrophobicContact CZ-CD1 3.91Å; F1144-L1245 HydrophobicContact CZ-CD2 4.01Å |
| 1145 | Q | 87.4 | Confident | 90.3 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 16% | 0.159 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.2 | 55.8 | 170.2 | -68.8 | -63.6 | -25.2 | 0 | 0 | 115.1 | S566 H1147 I1171 M1173 P1185 | S566-Q1145 PolarHBondContact OG-OE1 3.2Å; Q1145-H1147 VanDerWaalsContact C-N 3.29Å; Q1145-H1147 PolarHBondContact O-N 3.08Å; Q1145-H1147 PolarHBondContact O-ND1 2.8Å; Q1145-I1171 HydrophobicContact CB-CG2 3.95Å; Q1145-M1173 HydrophobicContact CG-SD 3.77Å; Q1145-P1185 HydrophobicContact CG-CB 4.31Å; Q1145-P1185 HydrophobicContact CG-CG 4.23Å |
| 1146 | G | 82.4 | Confident | 90.3 | Very high | 11 Ų | 11 | 34 Ų | 34 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 6.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T568 D610 F1144 | T568-G1146 VanDerWaalsContact CG2-N 3.32Å; D610-G1146 WeakPolarHBondContact CB-O 3.25Å; F1144-G1146 PolarHBondContact O-N 3.12Å |
| 1147 | H | 85.9 | Confident | 90.2 | Very high | 39 Ų | 39 | 34.6 Ų | 34.6 | 18% | 0.181 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.6 | 176.6 | -59.3 | 80 | 0 | 0 | 0 | 110.1 | S1143 F1144 Q1145 F1168 | S1143-H1147 CarbonylContact C-O 3.48Å; S1143-H1147 WeakPolarHBondContact CA-O 3.32Å; F1144-H1147 PolarHBondContact N-O 3.38Å; F1144-H1147 WeakPolarHBondContact O-CB 3.21Å; F1144-H1147 PolarHBondContact O-N 2.67Å; Q1145-H1147 VanDerWaalsContact C-N 3.29Å; Q1145-H1147 PolarHBondContact O-N 3.08Å; Q1145-H1147 PolarHBondContact O-ND1 2.8Å; H1147-F1168 HydrophobicContact CB-CD1 3.7Å; H1147-F1168 HydrophobicContact CB-CE1 4.06Å |
| 1148 | S | 88.4 | Confident | 89.7 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.6 | 166.4 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | D610 C1142 S1143 | D610-S1148 VanDerWaalsContact OD2-CB 3.3Å; D610-S1148 WeakPolarHBondContact OD2-CB 3.39Å; D610-S1148 PolarHBondContact OD2-OG 3.11Å; C1142-S1148 CarbonylContact O-C 3.57Å; C1142-S1148 WeakPolarHBondContact O-CA 3.41Å; C1142-S1148 WeakPolarHBondContact O-CB 3.35Å; S1143-S1148 VanDerWaalsContact OG-CB 3.29Å; S1143-S1148 WeakPolarHBondContact OG-CB 3.29Å |
| 1149 | Q | 88.7 | Confident | 89.2 | Confident | 55 Ų | 55 | 35 Ų | 35 | 26% | 0.257 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 154.6 | 174.4 | -68 | -173.1 | 14.6 | 0 | 0 | 109.7 | C1142 L1166 I1167 F1168 | C1142-Q1149 PolarHBondContact N-O 3.24Å; C1142-Q1149 PolarHBondContact O-N 3.18Å; Q1149-L1166 HydrophobicContact CB-CB 4.27Å; Q1149-L1166 HydrophobicContact CB-CD1 4.11Å; Q1149-L1166 HydrophobicContact CB-CD2 4.33Å; Q1149-L1166 HydrophobicContact CB-CG 4.47Å; Q1149-I1167 PolarHBondContact NE2-O 3.27Å; Q1149-I1167 VanDerWaalsContact OE1-N 3.1Å; Q1149-F1168 HydrophobicContact CB-CE1 4.17Å; Q1149-F1168 HydrophobicContact CB-CE2 4.36Å; Q1149-F1168 HydrophobicContact CB-CZ 3.78Å; Q1149-F1168 HydrophobicContact CG-CD1 4.3Å; Q1149-F1168 HydrophobicContact CG-CE1 3.82Å; Q1149-F1168 HydrophobicContact CG-CE2 4.4Å; Q1149-F1168 HydrophobicContact CG-CZ 3.87Å |
| 1150 | E | 92.2 | Very high | 88.8 | Confident | 64 Ų | 64 | 34.8 Ų | 34.8 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 146.1 | 177.3 | -78.9 | 161.6 | -177.3 | 0 | 0 | 110.5 | L612 F1139 V1140 R1141 | L612-E1150 HydrophobicContact CD2-CB 4.35Å; L612-E1150 HydrophobicContact CD2-CG 3.82Å; F1139-E1150 HydrophobicContact CD2-CB 4.4Å; F1139-E1150 HydrophobicContact CD2-CG 4.03Å; F1139-E1150 HydrophobicContact CE2-CG 3.99Å; V1140-E1150 VanDerWaalsContact O-CA 3.28Å; V1140-E1150 WeakPolarHBondContact O-CA 3.44Å; R1141-E1150 HydrophobicContact CB-CG 4.03Å; R1141-E1150 HydrophobicContact CG-CG 4.1Å; R1141-E1150 IonicContact CZ-OE1 2.87Å; R1141-E1150 IonicContact NE-OE1 2.66Å; R1141-E1150 PolarHBondContact NE-OE1 3.25Å; R1141-E1150 IonicContact NH2-OE1 2.87Å; R1141-E1150 PolarHBondContact NH2-OE1 3.09Å |
| 1151 | T | 93.9 | Very high | 88.5 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 170.4 | 166.7 | 61.2 | 0 | 0 | 0 | 0 | 110.9 | I1121 V1140 W1162 E1164 L1166 | I1121-T1151 HydrophobicContact CB-CG2 4.09Å; I1121-T1151 HydrophobicContact CG1-CG2 4.3Å; I1121-T1151 HydrophobicContact CG2-CG2 3.89Å; V1140-T1151 HydrophobicContact CB-CG2 3.97Å; V1140-T1151 PolarHBondContact N-OG1 3.26Å; V1140-T1151 PolarHBondContact O-N 2.91Å; T1151-W1162 HydrophobicContact CG2-CB 4.47Å; T1151-W1162 HydrophobicContact CG2-CG 4.18Å; T1151-W1162 PolarHBondContact OG1-NE1 3.48Å; T1151-E1164 WeakPolarHBondContact CA-OE2 3.44Å; T1151-L1166 HydrophobicContact CG2-CD1 4.09Å; T1151-L1166 HydrophobicContact CG2-CD2 4.35Å; T1151-L1166 HydrophobicContact CG2-CG 4.4Å |
| 1152 | Q | 91.4 | Very high | 88.4 | Confident | 76 Ų | 76 | 37.9 Ų | 37.9 | 36% | 0.355 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 153.6 | 166.7 | 89.3 | -158.1 | -71.7 | 0 | 0 | 111.5 | I1154 W1162 E1164 L1263 | Q1152-I1154 HydrophobicContact CG-CD1 3.59Å; Q1152-I1154 HydrophobicContact CG-CG1 4.41Å; Q1152-W1162 PolarHBondContact O-NE1 2.9Å; Q1152-E1164 WeakPolarHBondContact CB-OE1 3.27Å; Q1152-E1164 WeakPolarHBondContact CG-OE1 3.5Å; Q1152-E1164 PolarHBondContact N-OE1 2.77Å; Q1152-E1164 PolarHBondContact N-OE2 2.91Å; Q1152-E1164 VanDerWaalsContact N-OE2 3.15Å; Q1152-E1164 PolarHBondContact NE2-OE1 3.48Å; Q1152-L1263 HydrophobicContact CB-CD1 4.33Å |
| 1153 | I | 92.1 | Very high | 88.2 | Confident | 68 Ų | 68 | 38.9 Ų | 38.9 | 35% | 0.349 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -79.6 | 123.6 | 171.9 | -62.2 | 154.8 | 0 | 0 | 0 | 108.2 | D1137 F1139 Q1155 Y1194 | D1137-I1153 HydrophobicContact CB-CG2 4.02Å; F1139-I1153 HydrophobicContact CB-CG1 3.95Å; F1139-I1153 HydrophobicContact CD1-CG1 4.05Å; F1139-I1153 HydrophobicContact CG-CG1 4.16Å; I1153-Q1155 HydrophobicContact CG2-CG 4.49Å; I1153-Y1194 HydrophobicContact CD1-CD1 4Å; I1153-Y1194 HydrophobicContact CD1-CD2 3.62Å; I1153-Y1194 HydrophobicContact CD1-CE1 4.41Å; I1153-Y1194 HydrophobicContact CD1-CE2 4.08Å; I1153-Y1194 HydrophobicContact CD1-CG 3.57Å; I1153-Y1194 HydrophobicContact CG1-CG 4.24Å; I1153-Y1194 HydrophobicContact CG2-CD1 4.29Å; I1153-Y1194 HydrophobicContact CG2-CG 4.22Å |
| 1154 | I | 89.2 | Confident | 88.2 | Confident | 40 Ų | 40 | 39 Ų | 39 | 21% | 0.205 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -100.5 | 116.5 | 173.2 | -53.3 | -64.3 | 0 | 0 | 0 | 107.8 | D1137 P1138 Q1152 T1157 P1160 W1162 | D1137-I1154 CarbonylContact C-O 3.58Å; D1137-I1154 WeakPolarHBondContact CA-O 3.4Å; P1138-I1154 WeakPolarHBondContact CD-O 3.33Å; P1138-I1154 PolarHBondContact O-N 3.3Å; P1138-I1154 VanDerWaalsContact O-N 3.14Å; Q1152-I1154 HydrophobicContact CG-CD1 3.59Å; Q1152-I1154 HydrophobicContact CG-CG1 4.41Å; I1154-T1157 HydrophobicContact CB-CG2 4.18Å; I1154-T1157 HydrophobicContact CG2-CG2 3.59Å; I1154-P1160 HydrophobicContact CB-CB 4Å; I1154-P1160 HydrophobicContact CG1-CB 4.09Å; I1154-P1160 HydrophobicContact CG2-CB 4.29Å; I1154-W1162 HydrophobicContact CG1-CG 4.41Å |
| 1155 | Q | 87.9 | Confident | 88.1 | Confident | 139 Ų | 139 | 39 Ų | 39 | 65% | 0.65 | 19% | 0.194 | S | C | * | . | P | Polyproline II helix | trans | -79.2 | 144.1 | -173.9 | -65 | -175.5 | -36.5 | 0 | 0 | 112.9 | D1137 I1153 | D1137-Q1155 VanDerWaalsContact OD1-CA 3.24Å; D1137-Q1155 WeakPolarHBondContact OD1-CA 3.29Å; I1153-Q1155 HydrophobicContact CG2-CG 4.49Å |
| 1156 | Q | 81 | Confident | 88.3 | Confident | 127 Ų | 127 | 37.9 Ų | 37.9 | 59% | 0.593 | 19% | 0.189 | S | C | * | . | S | Bend | trans | 52.1 | 56.7 | 169.3 | -60.5 | -171.7 | -7.5 | 0 | 0 | 114.2 | L1135 S1136 D1137 | L1135-Q1156 HydrophobicContact CD1-CB 3.98Å; L1135-Q1156 WeakPolarHBondContact CD1-O 3.37Å; S1136-Q1156 CarbonylContact O-C 3.53Å; S1136-Q1156 VanDerWaalsContact O-CA 3.28Å; S1136-Q1156 WeakPolarHBondContact O-CA 3.27Å; S1136-Q1156 PolarHBondContact O-N 2.92Å; S1136-Q1156 VanDerWaalsContact O-N 3.14Å; D1137-Q1156 PolarHBondContact OD1-N 3.45Å |
| 1157 | T | 83.5 | Confident | 88.5 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.08 | 19% | 0.185 | C | C | . | . | trans | -148.3 | 150.5 | 176 | -172.6 | 0 | 0 | 0 | 0 | 113.5 | S1136 P1138 I1154 C1159 P1160 | S1136-T1157 PolarHBondContact O-N 2.79Å; P1138-T1157 WeakPolarHBondContact CD-O 3.41Å; P1138-T1157 HydrophobicContact CG-CG2 3.86Å; I1154-T1157 HydrophobicContact CB-CG2 4.18Å; I1154-T1157 HydrophobicContact CG2-CG2 3.59Å; T1157-C1159 PolarHBondContact OG1-N 3.44Å; T1157-P1160 HydrophobicContact CG2-CB 3.78Å | ||
| 1158 | L | 81.3 | Confident | 88.6 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 9% | 0.094 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -104.1 | -0.2 | 167.8 | -56 | -176.2 | 0 | 0 | 0 | 112.5 | S1126 V1127 A1129 L1135 | S1126-L1158 PolarHBondContact N-O 3.34Å; V1127-L1158 VanDerWaalsContact CB-O 3.31Å; V1127-L1158 WeakPolarHBondContact CB-O 3.43Å; V1127-L1158 WeakPolarHBondContact CG2-O 3.35Å; V1127-L1158 PolarHBondContact N-O 3Å; V1127-L1158 WeakPolarHBondContact O-CD2 3.31Å; A1129-L1158 HydrophobicContact CB-CD1 4.23Å; A1129-L1158 HydrophobicContact CB-CD2 4Å; L1135-L1158 HydrophobicContact CD2-CD1 4.42Å; L1135-L1158 HydrophobicContact CD2-CG 4.02Å |
| 1159 | C | 82.9 | Confident | 88 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 9% | 0.088 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -136.1 | 61.4 | -178 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | A1124 T1157 P1345 V1366 | A1124-C1159 CarbonylContact O-C 3.55Å; A1124-C1159 VanDerWaalsContact O-CA 3.22Å; A1124-C1159 WeakPolarHBondContact O-CA 3.49Å; T1157-C1159 PolarHBondContact OG1-N 3.44Å; C1159-P1345 HydrophobicContact CB-CG 3.48Å; C1159-P1345 VanDerWaalsContact CB-CG 3.48Å; C1159-P1345 WeakPolarHBondContact SG-CG 3.28Å; C1159-V1366 VanDerWaalsContact SG-CG1 3.53Å |
| 1160 | P | 88.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | trans | -67.5 | 144.6 | -175.9 | 29.6 | -37.2 | 0 | 0 | 0 | 112.4 | Q1123 A1124 P1138 I1154 T1157 W1162 | Q1123-P1160 CarbonylContact C-O 3.53Å; Q1123-P1160 WeakPolarHBondContact CA-O 3.41Å; Q1123-P1160 VanDerWaalsContact CB-O 3.29Å; Q1123-P1160 WeakPolarHBondContact CB-O 3.44Å; A1124-P1160 HydrophobicContact CB-CG 3.97Å; A1124-P1160 PolarHBondContact N-O 2.94Å; P1138-P1160 HydrophobicContact CB-CG 4.07Å; P1138-P1160 HydrophobicContact CG-CB 3.74Å; P1138-P1160 HydrophobicContact CG-CG 3.58Å; I1154-P1160 HydrophobicContact CB-CB 4Å; I1154-P1160 HydrophobicContact CG1-CB 4.09Å; I1154-P1160 HydrophobicContact CG2-CB 4.29Å; T1157-P1160 HydrophobicContact CG2-CB 3.78Å; P1160-W1162 HydrophobicContact CB-CD2 4.38Å; P1160-W1162 HydrophobicContact CB-CH2 3.96Å; P1160-W1162 HydrophobicContact CB-CZ2 3.75Å; P1160-W1162 HydrophobicContact CB-CZ3 4.34Å; P1160-W1162 HydrophobicContact CG-CE3 4.44Å; P1160-W1162 HydrophobicContact CG-CH2 3.25Å; P1160-W1162 HydrophobicContact CG-CZ2 3.48Å; P1160-W1162 VanDerWaalsContact CG-CZ2 3.48Å; P1160-W1162 HydrophobicContact CG-CZ3 3.79Å | ||
| 1161 | I | 88.8 | Confident | 87.1 | Confident | 67 Ų | 67 | 36.6 Ų | 36.6 | 34% | 0.344 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 110.5 | 169.7 | -55 | 175.9 | 0 | 0 | 0 | 106.8 | Q1123 D1163 P1344 | Q1123-I1161 HydrophobicContact CB-CB 4.3Å; Q1123-I1161 HydrophobicContact CB-CG1 3.9Å; Q1123-I1161 HydrophobicContact CB-CG2 4.39Å; I1161-D1163 HydrophobicContact CG2-CB 4.32Å; I1161-P1344 HydrophobicContact CD1-CB 4.38Å |
| 1162 | W | 90.9 | Very high | 86.6 | Confident | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -45.8 | 176.6 | -62.7 | -80.5 | 0 | 0 | 0 | 110.9 | I1121 F1122 A1124 P1138 V1140 T1151 Q1152 I1154 P1160 E1164 L1191 I1239 | I1121-W1162 HydrophobicContact CG2-CD2 4.21Å; I1121-W1162 HydrophobicContact CG2-CE3 3.7Å; I1121-W1162 HydrophobicContact CG2-CZ3 4.24Å; F1122-W1162 PolarHBondContact O-N 3.44Å; A1124-W1162 HydrophobicContact CB-CH2 3.85Å; A1124-W1162 HydrophobicContact CB-CZ3 3.71Å; P1138-W1162 HydrophobicContact CB-CZ2 4.25Å; V1140-W1162 HydrophobicContact CG2-CE3 4.44Å; V1140-W1162 HydrophobicContact CG2-CH2 3.52Å; V1140-W1162 HydrophobicContact CG2-CZ2 3.79Å; V1140-W1162 HydrophobicContact CG2-CZ3 3.88Å; T1151-W1162 HydrophobicContact CG2-CB 4.47Å; T1151-W1162 HydrophobicContact CG2-CG 4.18Å; T1151-W1162 PolarHBondContact OG1-NE1 3.48Å; Q1152-W1162 PolarHBondContact O-NE1 2.9Å; I1154-W1162 HydrophobicContact CG1-CG 4.41Å; P1160-W1162 HydrophobicContact CB-CD2 4.38Å; P1160-W1162 HydrophobicContact CB-CH2 3.96Å; P1160-W1162 HydrophobicContact CB-CZ2 3.75Å; P1160-W1162 HydrophobicContact CB-CZ3 4.34Å; P1160-W1162 HydrophobicContact CG-CE3 4.44Å; P1160-W1162 HydrophobicContact CG-CH2 3.25Å; P1160-W1162 HydrophobicContact CG-CZ2 3.48Å; P1160-W1162 VanDerWaalsContact CG-CZ2 3.48Å; P1160-W1162 HydrophobicContact CG-CZ3 3.79Å; W1162-E1164 HydrophobicContact CB-CB 4.24Å; W1162-E1164 HydrophobicContact CB-CG 4.26Å; W1162-E1164 PolarHBondContact O-N 3.41Å; W1162-L1191 HydrophobicContact CH2-CD1 3.71Å; W1162-L1191 HydrophobicContact CZ2-CD1 4.05Å; W1162-I1239 HydrophobicContact CZ3-CD1 4.47Å |
| 1163 | D | 89.9 | Confident | 86.3 | Confident | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 39.6 | -175.2 | 171.7 | 44.6 | 0 | 0 | 0 | 111.7 | I1121 F1122 I1161 R1260 N1265 V1266 R1271 | I1121-D1163 PolarHBondContact O-N 3.32Å; F1122-D1163 HydrophobicContact CD2-CB 4.17Å; F1122-D1163 HydrophobicContact CE2-CB 4.14Å; F1122-D1163 PolarHBondContact O-N 3.39Å; I1161-D1163 HydrophobicContact CG2-CB 4.32Å; D1163-R1260 IonicContact OD2-CZ 2.76Å; D1163-R1260 IonicContact OD2-NH2 3.54Å; D1163-R1260 PolarHBondContact OD2-NH2 2.94Å; D1163-N1265 WeakPolarHBondContact O-CA 3.39Å; D1163-V1266 PolarHBondContact O-N 2.95Å; D1163-R1271 IonicContact OD1-CZ 3.14Å; D1163-R1271 VanDerWaalsContact OD1-CZ 3.27Å; D1163-R1271 IonicContact OD1-NE 3.69Å; D1163-R1271 PolarHBondContact OD1-NE 3.15Å; D1163-R1271 IonicContact OD1-NH2 2.95Å; D1163-R1271 PolarHBondContact OD1-NH2 2.65Å; D1163-R1271 IonicContact OD2-CZ 3.44Å; D1163-R1271 IonicContact OD2-NE 2.83Å; D1163-R1271 IonicContact OD2-NH2 3.27Å; D1163-R1271 PolarHBondContact OD2-NH2 3.48Å |
| 1164 | E | 92.8 | Very high | 85.9 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.8 | -174.4 | -78.9 | 173.3 | -118.3 | 0 | 0 | 112.3 | I1121 T1151 Q1152 W1162 L1263 F1264 | I1121-E1164 PolarHBondContact N-O 3.41Å; I1121-E1164 PolarHBondContact O-N 3.05Å; T1151-E1164 WeakPolarHBondContact CA-OE2 3.44Å; Q1152-E1164 WeakPolarHBondContact CB-OE1 3.27Å; Q1152-E1164 WeakPolarHBondContact CG-OE1 3.5Å; Q1152-E1164 PolarHBondContact N-OE1 2.77Å; Q1152-E1164 PolarHBondContact N-OE2 2.91Å; Q1152-E1164 VanDerWaalsContact N-OE2 3.15Å; Q1152-E1164 PolarHBondContact NE2-OE1 3.48Å; W1162-E1164 HydrophobicContact CB-CB 4.24Å; W1162-E1164 HydrophobicContact CB-CG 4.26Å; W1162-E1164 PolarHBondContact O-N 3.41Å; E1164-L1263 HydrophobicContact CG-CD1 4.34Å; E1164-F1264 CarbonylContact C-O 3.59Å; E1164-F1264 WeakPolarHBondContact CA-O 3.37Å |
| 1165 | T | 91.5 | Very high | 85.4 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.1 | 165 | -52.9 | 0 | 0 | 0 | 0 | 109.3 | R1118 A1119 Y1120 I1167 P1257 F1264 N1265 | R1118-T1165 HydrophobicContact CB-CG2 4.15Å; R1118-T1165 HydrophobicContact CG-CG2 4.48Å; A1119-T1165 CarbonylContact O-C 3.55Å; A1119-T1165 WeakPolarHBondContact O-CA 3.11Å; Y1120-T1165 HydrophobicContact CD1-CG2 3.63Å; Y1120-T1165 VanDerWaalsContact CD1-OG1 3.32Å; Y1120-T1165 WeakPolarHBondContact CD1-OG1 3.46Å; Y1120-T1165 HydrophobicContact CE1-CG2 3.51Å; T1165-I1167 HydrophobicContact CG2-CD1 4.36Å; T1165-I1167 HydrophobicContact CG2-CG1 3.82Å; T1165-P1257 HydrophobicContact CG2-CG 4.23Å; T1165-F1264 PolarHBondContact N-O 2.75Å; T1165-N1265 PolarHBondContact OG1-O 3.12Å |
| 1166 | L | 91 | Very high | 85.1 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.3 | 168.4 | -54.7 | 179.4 | 0 | 0 | 0 | 108.4 | A1119 I1121 C1142 Q1149 T1151 F1168 | A1119-L1166 HydrophobicContact CB-CB 4.22Å; A1119-L1166 PolarHBondContact N-O 2.88Å; A1119-L1166 PolarHBondContact O-N 3.14Å; I1121-L1166 HydrophobicContact CG1-CD1 4.25Å; I1121-L1166 HydrophobicContact CG1-CG 4.45Å; C1142-L1166 HydrophobicContact CB-CD1 3.67Å; Q1149-L1166 HydrophobicContact CB-CB 4.27Å; Q1149-L1166 HydrophobicContact CB-CD1 4.11Å; Q1149-L1166 HydrophobicContact CB-CD2 4.33Å; Q1149-L1166 HydrophobicContact CB-CG 4.47Å; T1151-L1166 HydrophobicContact CG2-CD1 4.09Å; T1151-L1166 HydrophobicContact CG2-CD2 4.35Å; T1151-L1166 HydrophobicContact CG2-CG 4.4Å; L1166-F1168 HydrophobicContact CB-CE2 4.04Å |
| 1167 | I | 86.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 107.2 | -170.2 | -57.5 | -173.8 | 0 | 0 | 0 | 109.6 | H1116 Q1149 T1165 E1169 P1257 F1264 | H1116-I1167 WeakPolarHBondContact CE1-CG2 3.38Å; H1116-I1167 WeakPolarHBondContact NE2-CG2 3.01Å; Q1149-I1167 PolarHBondContact NE2-O 3.27Å; Q1149-I1167 VanDerWaalsContact OE1-N 3.1Å; T1165-I1167 HydrophobicContact CG2-CD1 4.36Å; T1165-I1167 HydrophobicContact CG2-CG1 3.82Å; I1167-E1169 HydrophobicContact CG2-CG 3.84Å; I1167-P1257 HydrophobicContact CD1-CG 4.46Å; I1167-F1264 HydrophobicContact CD1-CB 4.24Å; I1167-F1264 HydrophobicContact CD1-CD1 3.74Å; I1167-F1264 HydrophobicContact CD1-CD2 3.67Å; I1167-F1264 HydrophobicContact CD1-CE1 3.83Å; I1167-F1264 HydrophobicContact CD1-CE2 3.78Å; I1167-F1264 HydrophobicContact CD1-CG 3.64Å; I1167-F1264 HydrophobicContact CD1-CZ 3.83Å; I1167-F1264 HydrophobicContact CG1-CD2 4.09Å; I1167-F1264 HydrophobicContact CG1-CE2 4.3Å; I1167-F1264 HydrophobicContact CG1-CG 4.4Å |
| 1168 | F | 87.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 103.7 | 176.9 | -60 | -104.4 | 0 | 0 | 0 | 108.7 | H1116 L1117 A1119 C1142 H1147 Q1149 L1166 I1171 | H1116-F1168 WeakPolarHBondContact CA-O 3.33Å; L1117-F1168 HydrophobicContact CB-CB 4.1Å; L1117-F1168 HydrophobicContact CB-CD2 4.4Å; L1117-F1168 HydrophobicContact CD2-CD2 3.88Å; L1117-F1168 HydrophobicContact CD2-CE2 4.24Å; L1117-F1168 HydrophobicContact CD2-CG 4.33Å; L1117-F1168 HydrophobicContact CG-CD2 4.31Å; L1117-F1168 PolarHBondContact N-O 3.09Å; L1117-F1168 VanDerWaalsContact N-O 3.08Å; L1117-F1168 PolarHBondContact O-N 3.13Å; A1119-F1168 HydrophobicContact CB-CE2 4.45Å; C1142-F1168 HydrophobicContact CB-CE2 4.47Å; C1142-F1168 HydrophobicContact CB-CZ 4.09Å; C1142-F1168 WeakPolarHBondContact O-CZ 3.35Å; H1147-F1168 HydrophobicContact CB-CD1 3.7Å; H1147-F1168 HydrophobicContact CB-CE1 4.06Å; Q1149-F1168 HydrophobicContact CB-CE1 4.17Å; Q1149-F1168 HydrophobicContact CB-CE2 4.36Å; Q1149-F1168 HydrophobicContact CB-CZ 3.78Å; Q1149-F1168 HydrophobicContact CG-CD1 4.3Å; Q1149-F1168 HydrophobicContact CG-CE1 3.82Å; Q1149-F1168 HydrophobicContact CG-CE2 4.4Å; Q1149-F1168 HydrophobicContact CG-CZ 3.87Å; L1166-F1168 HydrophobicContact CB-CE2 4.04Å; F1168-I1171 HydrophobicContact CB-CD1 3.61Å; F1168-I1171 HydrophobicContact CB-CG1 4.08Å |
| 1169 | E | 76.8 | Confident | 85.6 | Confident | 72 Ų | 72 | 33.8 Ų | 33.8 | 34% | 0.336 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 151.4 | -178.3 | -54.1 | -169.2 | 158.8 | 0 | 0 | 111.2 | H1116 I1167 I1171 | H1116-E1169 WeakPolarHBondContact CE1-CG 3.17Å; H1116-E1169 IonicContact CE1-OE1 2.78Å; H1116-E1169 PolarHBondContact CE1-OE1 2.78Å; I1167-E1169 HydrophobicContact CG2-CG 3.84Å; E1169-I1171 PolarHBondContact O-N 3.27Å |
| 1170 | H | 74.9 | Confident | 85.8 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 33% | 0.329 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.6 | 40.3 | 172.7 | -81.6 | -89.2 | 0 | 0 | 0 | 115.1 | E1172 | H1170-E1172 PolarHBondContact O-N 3.32Å; H1170-E1172 VanDerWaalsContact O-N 3.14Å |
| 1171 | I | 86 | Confident | 85.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 107.1 | 174.1 | -57 | 157.1 | 0 | 0 | 0 | 109.1 | W1115 L1117 F1144 Q1145 F1168 E1169 M1173 | W1115-I1171 HydrophobicContact CB-CB 4.22Å; W1115-I1171 WeakPolarHBondContact CB-O 3.35Å; W1115-I1171 PolarHBondContact N-O 3.5Å; W1115-I1171 PolarHBondContact O-N 3.45Å; L1117-I1171 HydrophobicContact CB-CD1 3.55Å; F1144-I1171 HydrophobicContact CD1-CD1 3.75Å; F1144-I1171 HydrophobicContact CD1-CG2 4.36Å; F1144-I1171 HydrophobicContact CE1-CD1 3.89Å; F1144-I1171 HydrophobicContact CE1-CG2 4.11Å; Q1145-I1171 HydrophobicContact CB-CG2 3.95Å; F1168-I1171 HydrophobicContact CB-CD1 3.61Å; F1168-I1171 HydrophobicContact CB-CG1 4.08Å; E1169-I1171 PolarHBondContact O-N 3.27Å; I1171-M1173 HydrophobicContact CG2-CE 4.29Å; I1171-M1173 HydrophobicContact CG2-CG 4.19Å; I1171-M1173 HydrophobicContact CG2-SD 4.5Å |
| 1172 | E | 83.7 | Confident | 85.6 | Confident | 122 Ų | 122 | 38.9 Ų | 38.9 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.7 | 179.1 | -173.5 | 167.9 | -163.7 | 0 | 0 | 111.8 | S1112 H1170 | S1112-E1172 VanDerWaalsContact CB-OE1 3.27Å; S1112-E1172 WeakPolarHBondContact CB-OE1 3.32Å; S1112-E1172 VanDerWaalsContact OG-CD 3.25Å; S1112-E1172 WeakPolarHBondContact OG-CG 3.44Å; S1112-E1172 PolarHBondContact OG-OE1 2.71Å; H1170-E1172 PolarHBondContact O-N 3.32Å; H1170-E1172 VanDerWaalsContact O-N 3.14Å |
| 1173 | M | 86.6 | Confident | 85.4 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 7% | 0.069 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136.2 | 177.5 | -69.2 | -173.2 | -73.1 | 0 | 0 | 111.7 | H1113 W1115 F1144 Q1145 I1171 I1180 P1185 L1245 | H1113-M1173 PolarHBondContact N-O 3Å; H1113-M1173 PolarHBondContact O-N 2.79Å; W1115-M1173 HydrophobicContact CB-CE 3.9Å; W1115-M1173 HydrophobicContact CD2-CE 3.88Å; W1115-M1173 HydrophobicContact CG-CE 3.44Å; W1115-M1173 VanDerWaalsContact CG-CE 3.44Å; F1144-M1173 HydrophobicContact CE1-CE 4.32Å; F1144-M1173 HydrophobicContact CZ-CE 4.42Å; Q1145-M1173 HydrophobicContact CG-SD 3.77Å; I1171-M1173 HydrophobicContact CG2-CE 4.29Å; I1171-M1173 HydrophobicContact CG2-CG 4.19Å; I1171-M1173 HydrophobicContact CG2-SD 4.5Å; M1173-I1180 HydrophobicContact CB-CD1 4.08Å; M1173-I1180 HydrophobicContact CE-CD1 4.33Å; M1173-I1180 HydrophobicContact SD-CD1 4.46Å; M1173-P1185 HydrophobicContact SD-CG 4.07Å; M1173-L1245 HydrophobicContact CE-CD1 4.25Å; M1173-L1245 HydrophobicContact CE-CD2 4.16Å |
| 1174 | C | 83.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 147.3 | -179.6 | -38.8 | 0 | 0 | 0 | 0 | 111.9 | K623 F1109 | K623-C1174 WeakPolarHBondContact CE-SG 3.5Å; F1109-C1174 HydrophobicContact CB-CB 3.67Å; F1109-C1174 HydrophobicContact CD1-CB 3.84Å; F1109-C1174 HydrophobicContact CD2-CB 3.81Å; F1109-C1174 HydrophobicContact CE1-CB 4.46Å; F1109-C1174 HydrophobicContact CE2-CB 4.45Å; F1109-C1174 HydrophobicContact CG-CB 3.48Å; F1109-C1174 VanDerWaalsContact CG-CB 3.48Å |
| 1175 | G | 77.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 41 Ų | 41 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 101.3 | 167.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | E844 H1113 P1177 | E844-G1175 WeakPolarHBondContact OE2-CA 3.46Å; H1113-G1175 PolarHBondContact CD2-O 2.85Å; H1113-G1175 VanDerWaalsContact CD2-O 3.3Å; G1175-P1177 WeakPolarHBondContact O-CD 3.49Å |
| 1176 | D | 83.3 | Confident | 85.7 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | trans | -55 | 124.3 | -171.3 | -165.1 | -24 | 0 | 0 | 0 | 110.3 | E844 K1178 T1179 I1180 | E844-D1176 WeakPolarHBondContact OE1-CA 3.48Å; E844-D1176 VanDerWaalsContact OE1-CB 3.24Å; E844-D1176 WeakPolarHBondContact OE1-CB 3.47Å; E844-D1176 PolarHBondContact OE1-N 2.66Å; E844-D1176 WeakPolarHBondContact OE2-CB 3.26Å; E844-D1176 PolarHBondContact OE2-N 2.94Å; D1176-K1178 PolarHBondContact O-N 3.24Å; D1176-K1178 VanDerWaalsContact O-N 3.08Å; D1176-K1178 WeakPolarHBondContact OD1-CB 3.34Å; D1176-K1178 WeakPolarHBondContact OD1-CG 3.29Å; D1176-K1178 PolarHBondContact OD1-N 3.27Å; D1176-T1179 WeakPolarHBondContact O-CA 3.24Å; D1176-T1179 WeakPolarHBondContact O-CB 3.09Å; D1176-T1179 PolarHBondContact O-N 3.08Å; D1176-I1180 PolarHBondContact O-N 3.25Å | ||
| 1177 | P | 87 | Confident | 85.8 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.2 | -26.2 | 169.7 | -27.7 | 36 | 0 | 0 | 0 | 114.1 | H1113 W1115 G1175 I1180 L1181 L1214 L1247 | H1113-P1177 HydrophobicContact CB-CG 4.47Å; W1115-P1177 HydrophobicContact CH2-CB 3.9Å; W1115-P1177 HydrophobicContact CZ2-CB 3.74Å; W1115-P1177 HydrophobicContact CZ2-CG 4.24Å; G1175-P1177 WeakPolarHBondContact O-CD 3.49Å; P1177-I1180 PolarHBondContact O-N 3.12Å; P1177-L1181 WeakPolarHBondContact O-CB 3.37Å; P1177-L1181 PolarHBondContact O-N 2.86Å; P1177-L1214 HydrophobicContact CB-CD2 3.64Å; P1177-L1214 WeakPolarHBondContact O-CD2 3.15Å; P1177-L1247 HydrophobicContact CB-CD1 4.48Å; P1177-L1247 HydrophobicContact CB-CD2 3.89Å; P1177-L1247 HydrophobicContact CG-CD1 4.17Å; P1177-L1247 HydrophobicContact CG-CD2 3.88Å |
| 1178 | K | 86 | Confident | 86.2 | Confident | 138 Ų | 138 | 41 Ų | 41 | 60% | 0.6 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -68.3 | -35.9 | 171.5 | -63.1 | 173.8 | -174.4 | 165.8 | 0 | 113.3 | D1176 I1180 L1181 S1182 L1214 | D1176-K1178 PolarHBondContact O-N 3.24Å; D1176-K1178 VanDerWaalsContact O-N 3.08Å; D1176-K1178 WeakPolarHBondContact OD1-CB 3.34Å; D1176-K1178 WeakPolarHBondContact OD1-CG 3.29Å; D1176-K1178 PolarHBondContact OD1-N 3.27Å; K1178-I1180 VanDerWaalsContact C-N 3.32Å; K1178-L1181 WeakPolarHBondContact O-CB 3.41Å; K1178-L1181 PolarHBondContact O-N 3.09Å; K1178-S1182 PolarHBondContact O-N 3.3Å; K1178-S1182 PolarHBondContact O-OG 3.22Å; K1178-L1214 HydrophobicContact CG-CD1 4.31Å |
| 1179 | T | 83 | Confident | 86.6 | Confident | 71 Ų | 71 | 40.9 Ų | 40.9 | 44% | 0.436 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.9 | -37 | 175.3 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | D1176 S1182 D1183 | D1176-T1179 WeakPolarHBondContact O-CA 3.24Å; D1176-T1179 WeakPolarHBondContact O-CB 3.09Å; D1176-T1179 PolarHBondContact O-N 3.08Å; T1179-S1182 WeakPolarHBondContact CA-OG 3.37Å; T1179-S1182 PolarHBondContact O-N 2.67Å; T1179-S1182 PolarHBondContact O-OG 2.81Å; T1179-D1183 PolarHBondContact O-N 2.78Å |
| 1180 | I | 87.7 | Confident | 87.4 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.6 | -33.5 | 172.1 | -66 | 170.5 | 0 | 0 | 0 | 111.5 | W1115 M1173 D1176 P1177 K1178 D1183 P1184 V1212 L1245 | W1115-I1180 HydrophobicContact CH2-CB 4.18Å; W1115-I1180 HydrophobicContact CH2-CG2 3.83Å; W1115-I1180 HydrophobicContact CZ2-CB 3.96Å; W1115-I1180 HydrophobicContact CZ2-CD1 3.64Å; W1115-I1180 HydrophobicContact CZ2-CG1 4.38Å; W1115-I1180 HydrophobicContact CZ2-CG2 3.82Å; W1115-I1180 HydrophobicContact CZ3-CG2 4.43Å; M1173-I1180 HydrophobicContact CB-CD1 4.08Å; M1173-I1180 HydrophobicContact CE-CD1 4.33Å; M1173-I1180 HydrophobicContact SD-CD1 4.46Å; D1176-I1180 PolarHBondContact O-N 3.25Å; P1177-I1180 PolarHBondContact O-N 3.12Å; K1178-I1180 VanDerWaalsContact C-N 3.32Å; I1180-D1183 CarbonylContact O-C 3.49Å; I1180-P1184 WeakPolarHBondContact O-CA 3.01Å; I1180-P1184 WeakPolarHBondContact O-CB 3Å; I1180-P1184 WeakPolarHBondContact O-CD 3.2Å; I1180-V1212 HydrophobicContact CG2-CG1 4.39Å; I1180-L1245 HydrophobicContact CG2-CD2 3.99Å |
| 1181 | L | 88.3 | Confident | 88.4 | Confident | 83 Ų | 83 | 34.2 Ų | 34.2 | 44% | 0.435 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.1 | -36 | 172.2 | 174.8 | 63.6 | 0 | 0 | 0 | 112.4 | P1177 K1178 V1212 L1214 | P1177-L1181 WeakPolarHBondContact O-CB 3.37Å; P1177-L1181 PolarHBondContact O-N 2.86Å; K1178-L1181 WeakPolarHBondContact O-CB 3.41Å; K1178-L1181 PolarHBondContact O-N 3.09Å; L1181-V1212 HydrophobicContact CB-CB 4.5Å; L1181-V1212 HydrophobicContact CB-CG1 4.23Å; L1181-V1212 HydrophobicContact CD1-CB 3.79Å; L1181-V1212 HydrophobicContact CD1-CG1 4.23Å; L1181-L1214 HydrophobicContact CB-CD2 4.42Å; L1181-L1214 HydrophobicContact CD2-CD1 3.93Å; L1181-L1214 HydrophobicContact CD2-CG 4.25Å |
| 1182 | S | 84.3 | Confident | 88.7 | Confident | 95 Ų | 95 | 34.2 Ų | 34.2 | 66% | 0.664 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -81 | -38 | 179.4 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | K1178 T1179 | K1178-S1182 PolarHBondContact O-N 3.3Å; K1178-S1182 PolarHBondContact O-OG 3.22Å; T1179-S1182 WeakPolarHBondContact CA-OG 3.37Å; T1179-S1182 PolarHBondContact O-N 2.67Å; T1179-S1182 PolarHBondContact O-OG 2.81Å |
| 1183 | D | 87.3 | Confident | 89.2 | Confident | 54 Ų | 54 | 28.6 Ų | 28.6 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -130.4 | 87.5 | 171.3 | 176.4 | 73.7 | 0 | 0 | 0 | 108.7 | A798 R824 T1179 I1180 | A798-D1183 WeakPolarHBondContact CB-OD2 3.38Å; R824-D1183 IonicContact CZ-OD2 3.67Å; R824-D1183 VanDerWaalsContact CZ-OD2 3.24Å; R824-D1183 IonicContact NH1-OD2 2.71Å; R824-D1183 PolarHBondContact NH1-OD2 3.35Å; R824-D1183 PolarHBondContact NH2-O 2.98Å; R824-D1183 IonicContact NH2-OD2 2.69Å; R824-D1183 PolarHBondContact NH2-OD2 2.97Å; T1179-D1183 PolarHBondContact O-N 2.78Å; I1180-D1183 CarbonylContact O-C 3.49Å |
| 1184 | P | 91.5 | Very high | 89.4 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 146.4 | 174.3 | 27.6 | -34.7 | 0 | 0 | 0 | 111.4 | I1180 T1209 P1210 V1212 | I1180-P1184 WeakPolarHBondContact O-CA 3.01Å; I1180-P1184 WeakPolarHBondContact O-CB 3Å; I1180-P1184 WeakPolarHBondContact O-CD 3.2Å; P1184-T1209 HydrophobicContact CG-CG2 3.39Å; P1184-P1210 HydrophobicContact CB-CG 4.17Å; P1184-V1212 HydrophobicContact CB-CG2 3.59Å; P1184-V1212 HydrophobicContact CG-CG2 4.18Å |
| 1185 | P | 92.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 140.3 | 168.5 | -9.4 | 21 | 0 | 0 | 0 | 110.4 | F1144 Q1145 M1173 P1210 | F1144-P1185 HydrophobicContact CE2-CB 3.76Å; F1144-P1185 HydrophobicContact CE2-CG 4.14Å; F1144-P1185 WeakPolarHBondContact CE2-O 3.47Å; F1144-P1185 HydrophobicContact CZ-CB 4.11Å; F1144-P1185 HydrophobicContact CZ-CG 3.97Å; Q1145-P1185 HydrophobicContact CG-CB 4.31Å; Q1145-P1185 HydrophobicContact CG-CG 4.23Å; M1173-P1185 HydrophobicContact SD-CG 4.07Å; P1185-P1210 WeakPolarHBondContact O-CD 3.44Å |
| 1186 | P | 94.5 | Very high | 89.3 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 13% | 0.13 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 143.3 | 173.4 | 29.9 | -33.7 | 0 | 0 | 0 | 110.9 | T800 Q1207 I1208 | T800-P1186 HydrophobicContact CG2-CG 3.79Å; T800-P1186 WeakPolarHBondContact OG1-CD 3.38Å; P1186-Q1207 HydrophobicContact CB-CB 4.18Å; P1186-I1208 CarbonylContact C-O 3.22Å; P1186-I1208 WeakPolarHBondContact CA-O 3.28Å |
| 1187 | V | 95 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 128.6 | 165 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | L1117 C1142 F1144 I1189 Q1207 I1208 P1210 F1243 | L1117-V1187 HydrophobicContact CD1-CG2 4.09Å; L1117-V1187 HydrophobicContact CD2-CG2 3.92Å; C1142-V1187 WeakPolarHBondContact SG-CG1 3.44Å; F1144-V1187 HydrophobicContact CD2-CB 4.45Å; F1144-V1187 HydrophobicContact CD2-CG2 3.79Å; F1144-V1187 HydrophobicContact CE2-CG2 4.23Å; V1187-I1189 HydrophobicContact CG1-CD1 3.97Å; V1187-I1189 HydrophobicContact CG1-CG1 4.45Å; V1187-Q1207 WeakPolarHBondContact O-CA 3.4Å; V1187-I1208 PolarHBondContact N-O 3.33Å; V1187-I1208 PolarHBondContact O-N 2.63Å; V1187-P1210 HydrophobicContact CG2-CB 4.24Å; V1187-P1210 HydrophobicContact CG2-CG 4.28Å; V1187-F1243 HydrophobicContact CB-CD1 4.22Å; V1187-F1243 HydrophobicContact CB-CE1 4.39Å; V1187-F1243 HydrophobicContact CG1-CD1 3.99Å; V1187-F1243 HydrophobicContact CG1-CE1 3.85Å; V1187-F1243 HydrophobicContact CG2-CD1 3.98Å; V1187-F1243 HydrophobicContact CG2-CG 4.41Å |
| 1188 | M | 94.7 | Very high | 88 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 126.1 | 172.2 | -75.4 | -60.3 | -48.1 | 0 | 0 | 109.8 | M569 I819 Q822 C1142 S1143 Q1207 | M569-M1188 HydrophobicContact CG-CG 4.5Å; I819-M1188 HydrophobicContact CD1-CE 4Å; Q822-M1188 PolarHBondContact NE2-SD 3.35Å; C1142-M1188 CarbonylContact C-O 3.54Å; C1142-M1188 WeakPolarHBondContact CA-O 3.45Å; S1143-M1188 PolarHBondContact N-O 3.03Å; S1143-M1188 PolarHBondContact O-N 2.95Å; M1188-Q1207 HydrophobicContact CE-CG 4.3Å; M1188-Q1207 HydrophobicContact SD-CG 3.63Å; M1188-Q1207 PolarHBondContact SD-NE2 3.34Å |
| 1189 | I | 95 | Very high | 87.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.9 | 173.2 | -58.4 | -62.4 | 0 | 0 | 0 | 108.5 | I1121 V1140 C1142 V1187 R1205 L1206 I1208 I1239 F1243 | I1121-I1189 HydrophobicContact CD1-CD1 4.42Å; V1140-I1189 HydrophobicContact CG1-CD1 4.44Å; V1140-I1189 HydrophobicContact CG1-CG2 3.86Å; C1142-I1189 HydrophobicContact CB-CD1 3.84Å; V1187-I1189 HydrophobicContact CG1-CD1 3.97Å; V1187-I1189 HydrophobicContact CG1-CG1 4.45Å; I1189-R1205 CarbonylContact O-C 3.6Å; I1189-R1205 VanDerWaalsContact O-CA 3.25Å; I1189-R1205 WeakPolarHBondContact O-CA 3.46Å; I1189-L1206 HydrophobicContact CB-CD2 3.71Å; I1189-L1206 HydrophobicContact CB-CG 3.99Å; I1189-L1206 HydrophobicContact CG2-CD2 3.61Å; I1189-L1206 HydrophobicContact CG2-CG 4.36Å; I1189-L1206 PolarHBondContact N-O 2.97Å; I1189-L1206 PolarHBondContact O-N 2.79Å; I1189-I1208 HydrophobicContact CG1-CD1 4.23Å; I1189-I1239 HydrophobicContact CG2-CD1 4.15Å; I1189-F1243 HydrophobicContact CD1-CE1 3.75Å; I1189-F1243 HydrophobicContact CD1-CZ 3.69Å; I1189-F1243 HydrophobicContact CG1-CE1 4.38Å; I1189-F1243 HydrophobicContact CG1-CZ 3.94Å |
| 1190 | E | 94.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.8 | 174.7 | -62.1 | -179.5 | 140.4 | 0 | 0 | 109.4 | Y614 R1141 F1192 F1202 R1205 | Y614-E1190 PolarHBondContact OH-OE1 2.89Å; Y614-E1190 PolarHBondContact OH-OE2 3.02Å; R1141-E1190 PolarHBondContact N-O 2.88Å; R1141-E1190 PolarHBondContact O-N 3.06Å; E1190-F1192 HydrophobicContact CB-CD2 4.25Å; E1190-F1192 HydrophobicContact CB-CE2 3.48Å; E1190-F1192 VanDerWaalsContact CB-CE2 3.48Å; E1190-F1192 HydrophobicContact CB-CZ 4.1Å; E1190-F1192 HydrophobicContact CG-CE2 4.48Å; E1190-F1202 HydrophobicContact CB-CE2 4.39Å; E1190-F1202 HydrophobicContact CG-CE2 4.5Å; E1190-R1205 HydrophobicContact CG-CB 4.21Å; E1190-R1205 IonicContact OE1-CZ 3.06Å; E1190-R1205 IonicContact OE1-NH1 2.87Å; E1190-R1205 PolarHBondContact OE1-NH1 3.39Å; E1190-R1205 IonicContact OE1-NH2 2.7Å; E1190-R1205 PolarHBondContact OE1-NH2 3.37Å |
| 1191 | L | 94.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.7 | 178.7 | -168.2 | 76.9 | 0 | 0 | 0 | 109.8 | V1127 P1138 F1139 V1140 W1162 L1203 G1204 I1229 | V1127-L1191 HydrophobicContact CB-CD2 4.27Å; V1127-L1191 HydrophobicContact CG1-CD2 3.56Å; V1127-L1191 HydrophobicContact CG2-CD2 3.72Å; P1138-L1191 HydrophobicContact CB-CD1 4.44Å; F1139-L1191 WeakPolarHBondContact O-CD1 3.19Å; V1140-L1191 HydrophobicContact CG2-CD1 3.53Å; W1162-L1191 HydrophobicContact CH2-CD1 3.71Å; W1162-L1191 HydrophobicContact CZ2-CD1 4.05Å; L1191-L1203 HydrophobicContact CB-CB 4.28Å; L1191-L1203 HydrophobicContact CD2-CB 4.05Å; L1191-L1203 HydrophobicContact CD2-CD1 4.09Å; L1191-L1203 HydrophobicContact CG-CB 4.21Å; L1191-L1203 HydrophobicContact CG-CD1 4.21Å; L1191-L1203 WeakPolarHBondContact O-CB 3.34Å; L1191-L1203 PolarHBondContact O-N 2.91Å; L1191-G1204 PolarHBondContact N-O 2.88Å; L1191-G1204 PolarHBondContact O-N 2.86Å; L1191-I1229 HydrophobicContact CD2-CD1 3.86Å |
| 1192 | F | 93.1 | Very high | 87.8 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.9 | -177.5 | -68.2 | -84.8 | 0 | 0 | 0 | 111.3 | W817 P1138 F1139 R1141 E1190 D1200 F1202 | W817-F1192 AromaticContact CH2-CE1 3.43Å; W817-F1192 HydrophobicContact CH2-CE1 3.43Å; W817-F1192 VanDerWaalsContact CH2-CE1 3.43Å; W817-F1192 AromaticContact CH2-CZ 3.66Å; W817-F1192 HydrophobicContact CH2-CZ 3.66Å; W817-F1192 AromaticContact CZ2-CE1 3.89Å; W817-F1192 HydrophobicContact CZ2-CE1 3.89Å; W817-F1192 AromaticContact CZ3-CE1 3.84Å; W817-F1192 HydrophobicContact CZ3-CE1 3.84Å; W817-F1192 AromaticContact CZ3-CZ 3.7Å; W817-F1192 HydrophobicContact CZ3-CZ 3.7Å; P1138-F1192 CarbonylContact C-O 3.43Å; P1138-F1192 VanDerWaalsContact CA-O 3.25Å; P1138-F1192 WeakPolarHBondContact CA-O 3.39Å; F1139-F1192 HydrophobicContact CD1-CB 4Å; F1139-F1192 HydrophobicContact CE1-CB 3.45Å; F1139-F1192 VanDerWaalsContact CE1-CB 3.45Å; F1139-F1192 HydrophobicContact CE1-CG 4.43Å; F1139-F1192 HydrophobicContact CE2-CB 4.18Å; F1139-F1192 HydrophobicContact CE2-CD2 4.25Å; F1139-F1192 HydrophobicContact CZ-CB 3.56Å; F1139-F1192 HydrophobicContact CZ-CD2 4.24Å; F1139-F1192 HydrophobicContact CZ-CG 4.08Å; F1139-F1192 PolarHBondContact N-O 2.9Å; F1139-F1192 PolarHBondContact O-N 2.86Å; R1141-F1192 HydrophobicContact CB-CD2 4.33Å; R1141-F1192 HydrophobicContact CB-CE2 4.15Å; R1141-F1192 VanDerWaalsContact NH1-CE2 3.31Å; E1190-F1192 HydrophobicContact CB-CD2 4.25Å; E1190-F1192 HydrophobicContact CB-CE2 3.48Å; E1190-F1192 VanDerWaalsContact CB-CE2 3.48Å; E1190-F1192 HydrophobicContact CB-CZ 4.1Å; E1190-F1192 HydrophobicContact CG-CE2 4.48Å; F1192-D1200 HydrophobicContact CB-CB 4.22Å; F1192-D1200 HydrophobicContact CD1-CB 4.22Å; F1192-F1202 HydrophobicContact CD1-CB 4.13Å; F1192-F1202 HydrophobicContact CD1-CD2 4.33Å; F1192-F1202 HydrophobicContact CE1-CB 3.87Å; F1192-F1202 AromaticContact CE1-CD2 3.73Å; F1192-F1202 HydrophobicContact CE1-CD2 3.73Å; F1192-F1202 HydrophobicContact CE1-CG 4.3Å; F1192-F1202 AromaticContact CZ-CD2 3.89Å; F1192-F1202 HydrophobicContact CZ-CD2 3.89Å |
| 1193 | D | 93 | Very high | 88.1 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.2 | 164.8 | 175.3 | 51.3 | 0 | 0 | 0 | 108.4 | A1130 S1136 D1137 D1200 H1201 L1203 | A1130-D1193 HydrophobicContact CB-CB 3.73Å; A1130-D1193 WeakPolarHBondContact CB-OD2 3.32Å; S1136-D1193 WeakPolarHBondContact CA-OD1 3.09Å; S1136-D1193 VanDerWaalsContact CB-OD1 3.25Å; S1136-D1193 WeakPolarHBondContact CB-OD1 3.46Å; D1137-D1193 PolarHBondContact N-OD1 3.12Å; D1193-D1200 CarbonylContact O-C 2.99Å; D1193-D1200 VanDerWaalsContact O-CA 3.23Å; D1193-D1200 WeakPolarHBondContact O-CA 3.44Å; D1193-D1200 WeakPolarHBondContact O-CB 3.19Å; D1193-H1201 HydrophobicContact CB-CB 4.21Å; D1193-H1201 PolarHBondContact N-O 2.88Å; D1193-H1201 PolarHBondContact O-N 3.14Å; D1193-L1203 HydrophobicContact CB-CD1 4.01Å; D1193-L1203 HydrophobicContact CB-CD2 3.92Å; D1193-L1203 HydrophobicContact CB-CG 4.1Å |
| 1194 | Y | 91.1 | Very high | 88.3 | Confident | 88 Ų | 88 | 39.2 Ų | 39.2 | 35% | 0.345 | 21% | 0.21 | S | C | . | . | trans | -76.7 | 128.7 | -178.1 | 172.7 | -103.7 | 0 | 0 | 0 | 111.9 | D1137 I1153 D1200 | D1137-Y1194 PolarHBondContact O-N 3.33Å; I1153-Y1194 HydrophobicContact CD1-CD1 4Å; I1153-Y1194 HydrophobicContact CD1-CD2 3.62Å; I1153-Y1194 HydrophobicContact CD1-CE1 4.41Å; I1153-Y1194 HydrophobicContact CD1-CE2 4.08Å; I1153-Y1194 HydrophobicContact CD1-CG 3.57Å; I1153-Y1194 HydrophobicContact CG1-CG 4.24Å; I1153-Y1194 HydrophobicContact CG2-CD1 4.29Å; I1153-Y1194 HydrophobicContact CG2-CG 4.22Å; Y1194-D1200 WeakPolarHBondContact CD2-OD1 3.38Å | ||
| 1195 | D | 83.7 | Confident | 88.4 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | trans | -118.6 | 120.7 | -176.7 | -115.2 | -27.9 | 0 | 0 | 0 | 110.6 | L1197 S1198 D1200 | D1195-L1197 VanDerWaalsContact C-N 3.34Å; D1195-L1197 PolarHBondContact O-N 2.69Å; D1195-S1198 PolarHBondContact OD1-OG 3.04Å; D1195-S1198 VanDerWaalsContact OD2-CB 3.31Å; D1195-S1198 WeakPolarHBondContact OD2-CB 3.32Å; D1195-S1198 PolarHBondContact OD2-OG 2.84Å; D1195-D1200 PolarHBondContact N-OD1 2.88Å | ||
| 1196 | Q | 76.2 | Confident | 88.4 | Confident | 166 Ų | 166 | 41.2 Ų | 41.2 | 78% | 0.776 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -70.7 | -28.3 | -177.8 | -167.7 | -179.5 | 20 | 0 | 0 | 113.5 | ||
| 1197 | L | 73.9 | Confident | 88.3 | Confident | 172 Ų | 172 | 44.6 Ų | 44.6 | 90% | 0.901 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -121.8 | -0.8 | -172.8 | -65.6 | 175.3 | 0 | 0 | 0 | 113.9 | D1195 | D1195-L1197 VanDerWaalsContact C-N 3.34Å; D1195-L1197 PolarHBondContact O-N 2.69Å |
| 1198 | S | 68.2 | Low | 88.1 | Confident | 69 Ų | 69 | 44.8 Ų | 44.8 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -129.4 | 179.7 | 177.5 | 10.4 | 0 | 0 | 0 | 0 | 110.4 | D1195 | D1195-S1198 PolarHBondContact OD1-OG 3.04Å; D1195-S1198 VanDerWaalsContact OD2-CB 3.31Å; D1195-S1198 WeakPolarHBondContact OD2-CB 3.32Å; D1195-S1198 PolarHBondContact OD2-OG 2.84Å |
| 1199 | S | 78.7 | Confident | 87.8 | Confident | 104 Ų | 104 | 49.5 Ų | 49.5 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | trans | -79.4 | 132.5 | 166.6 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | H1201 | S1199-H1201 PolarHBondContact O-N 2.9Š| ||
| 1200 | D | 85 | Confident | 87.7 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | trans | -39.7 | 130.2 | 177.5 | -47.9 | -43.8 | 0 | 0 | 0 | 113.4 | F1139 F1192 D1193 Y1194 D1195 | F1139-D1200 HydrophobicContact CE1-CB 4.17Å; F1139-D1200 HydrophobicContact CZ-CB 4.26Å; F1192-D1200 HydrophobicContact CB-CB 4.22Å; F1192-D1200 HydrophobicContact CD1-CB 4.22Å; D1193-D1200 CarbonylContact O-C 2.99Å; D1193-D1200 VanDerWaalsContact O-CA 3.23Å; D1193-D1200 WeakPolarHBondContact O-CA 3.44Å; D1193-D1200 WeakPolarHBondContact O-CB 3.19Å; Y1194-D1200 WeakPolarHBondContact CD2-OD1 3.38Å; D1195-D1200 PolarHBondContact N-OD1 2.88Å | ||
| 1201 | H | 87.5 | Confident | 87.4 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 36% | 0.356 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 119.4 | -173.1 | 171.4 | -101.3 | 0 | 0 | 0 | 111.4 | A1130 D1193 S1199 L1203 K1231 | A1130-H1201 WeakPolarHBondContact CB-ND1 3.19Å; D1193-H1201 HydrophobicContact CB-CB 4.21Å; D1193-H1201 PolarHBondContact N-O 2.88Å; D1193-H1201 PolarHBondContact O-N 3.14Å; S1199-H1201 PolarHBondContact O-N 2.9Å; H1201-L1203 PolarHBondContact O-N 3.07Å; H1201-K1231 PolarHBondContact CE1-NZ 3.43Å; H1201-K1231 VanDerWaalsContact CE1-NZ 3.27Å; H1201-K1231 PolarHBondContact NE2-NZ 2.83Å |
| 1202 | F | 90.5 | Very high | 87.2 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 123.2 | -176.8 | 176.5 | -104.7 | 0 | 0 | 0 | 112.8 | W817 E1190 F1192 G1204 R1205 K1231 | W817-F1202 HydrophobicContact CB-CD1 3.38Å; W817-F1202 HydrophobicContact CB-CE1 3.53Å; W817-F1202 HydrophobicContact CB-CG 3.97Å; W817-F1202 HydrophobicContact CB-CZ 4.23Å; W817-F1202 HydrophobicContact CD2-CB 3.72Å; W817-F1202 HydrophobicContact CD2-CD1 4.05Å; W817-F1202 HydrophobicContact CD2-CD2 4.01Å; W817-F1202 AromaticContact CD2-CG 3.65Å; W817-F1202 HydrophobicContact CD2-CG 3.65Å; W817-F1202 HydrophobicContact CE3-CB 4.32Å; W817-F1202 AromaticContact CE3-CD2 3.82Å; W817-F1202 HydrophobicContact CE3-CD2 3.82Å; W817-F1202 HydrophobicContact CE3-CE2 4.23Å; W817-F1202 AromaticContact CE3-CG 3.97Å; W817-F1202 HydrophobicContact CE3-CG 3.97Å; W817-F1202 HydrophobicContact CG-CB 3.85Å; W817-F1202 AromaticContact CG-CD1 3.56Å; W817-F1202 HydrophobicContact CG-CD1 3.56Å; W817-F1202 HydrophobicContact CG-CD2 4.4Å; W817-F1202 HydrophobicContact CG-CE1 4.18Å; W817-F1202 AromaticContact CG-CG 3.68Å; W817-F1202 HydrophobicContact CG-CG 3.68Å; W817-F1202 HydrophobicContact CZ2-CB 4.17Å; W817-F1202 HydrophobicContact CZ3-CD2 4.24Å; E1190-F1202 HydrophobicContact CB-CE2 4.39Å; E1190-F1202 HydrophobicContact CG-CE2 4.5Å; F1192-F1202 HydrophobicContact CD1-CB 4.13Å; F1192-F1202 HydrophobicContact CD1-CD2 4.33Å; F1192-F1202 HydrophobicContact CE1-CB 3.87Å; F1192-F1202 AromaticContact CE1-CD2 3.73Å; F1192-F1202 HydrophobicContact CE1-CD2 3.73Å; F1192-F1202 HydrophobicContact CE1-CG 4.3Å; F1192-F1202 AromaticContact CZ-CD2 3.89Å; F1192-F1202 HydrophobicContact CZ-CD2 3.89Å; F1202-G1204 WeakPolarHBondContact CE2-O 3.21Å; F1202-G1204 WeakPolarHBondContact CZ-O 3.32Å; F1202-R1205 HydrophobicContact CE2-CB 4.07Å; F1202-R1205 HydrophobicContact CZ-CB 3.8Å; F1202-R1205 HydrophobicContact CZ-CG 4.02Å; F1202-R1205 VanDerWaalsContact CZ-NH2 3.35Å; F1202-K1231 HydrophobicContact CD1-CG 4.46Å; F1202-K1231 HydrophobicContact CE1-CG 4.31Å; F1202-K1231 WeakPolarHBondContact O-CE 3.41Å; F1202-K1231 PolarHBondContact O-NZ 2.83Å |
| 1203 | L | 88.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -29.1 | -178.6 | -54.7 | -176 | 0 | 0 | 0 | 112.7 | V1127 L1128 A1130 L1191 D1193 H1201 K1231 | V1127-L1203 HydrophobicContact CG1-CD1 3.42Å; V1127-L1203 VanDerWaalsContact CG1-CD1 3.42Å; L1128-L1203 HydrophobicContact CB-CD2 4.35Å; A1130-L1203 HydrophobicContact CB-CD2 3.72Å; L1191-L1203 HydrophobicContact CB-CB 4.28Å; L1191-L1203 HydrophobicContact CD2-CB 4.05Å; L1191-L1203 HydrophobicContact CD2-CD1 4.09Å; L1191-L1203 HydrophobicContact CG-CB 4.21Å; L1191-L1203 HydrophobicContact CG-CD1 4.21Å; L1191-L1203 WeakPolarHBondContact O-CB 3.34Å; L1191-L1203 PolarHBondContact O-N 2.91Å; D1193-L1203 HydrophobicContact CB-CD1 4.01Å; D1193-L1203 HydrophobicContact CB-CD2 3.92Å; D1193-L1203 HydrophobicContact CB-CG 4.1Å; H1201-L1203 PolarHBondContact O-N 3.07Å; L1203-K1231 WeakPolarHBondContact O-CD 3.14Å |
| 1204 | G | 91.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1191 F1202 E1230 | L1191-G1204 PolarHBondContact N-O 2.88Å; L1191-G1204 PolarHBondContact O-N 2.86Å; F1202-G1204 WeakPolarHBondContact CE2-O 3.21Å; F1202-G1204 WeakPolarHBondContact CZ-O 3.32Å; G1204-E1230 CarbonylContact C-O 3.6Å; G1204-E1230 WeakPolarHBondContact CA-O 3.5Å |
| 1205 | R | 93.5 | Very high | 86.1 | Confident | 42 Ų | 42 | 53 Ų | 53 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 164.5 | -179.6 | 67.2 | -178.6 | 61.1 | -103.4 | -26.5 | 112.5 | W817 I819 I1189 E1190 F1202 E1230 | W817-R1205 VanDerWaalsContact O-CZ 3.3Å; W817-R1205 PolarHBondContact O-NE 2.84Å; W817-R1205 PolarHBondContact O-NH2 3.38Å; W817-R1205 VanDerWaalsContact O-NH2 3.12Å; I819-R1205 VanDerWaalsContact CD1-NH1 3.3Å; I1189-R1205 CarbonylContact O-C 3.6Å; I1189-R1205 VanDerWaalsContact O-CA 3.25Å; I1189-R1205 WeakPolarHBondContact O-CA 3.46Å; E1190-R1205 HydrophobicContact CG-CB 4.21Å; E1190-R1205 IonicContact OE1-CZ 3.06Å; E1190-R1205 IonicContact OE1-NH1 2.87Å; E1190-R1205 PolarHBondContact OE1-NH1 3.39Å; E1190-R1205 IonicContact OE1-NH2 2.7Å; E1190-R1205 PolarHBondContact OE1-NH2 3.37Å; F1202-R1205 HydrophobicContact CE2-CB 4.07Å; F1202-R1205 HydrophobicContact CZ-CB 3.8Å; F1202-R1205 HydrophobicContact CZ-CG 4.02Å; F1202-R1205 VanDerWaalsContact CZ-NH2 3.35Å; R1205-E1230 PolarHBondContact N-O 2.89Å; R1205-E1230 PolarHBondContact O-N 3.03Å |
| 1206 | L | 93.3 | Very high | 85.7 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 165.9 | 168.1 | 60.8 | 166.1 | 0 | 0 | 0 | 111.2 | I1189 I1208 Y1227 I1229 I1239 | I1189-L1206 HydrophobicContact CB-CD2 3.71Å; I1189-L1206 HydrophobicContact CB-CG 3.99Å; I1189-L1206 HydrophobicContact CG2-CD2 3.61Å; I1189-L1206 HydrophobicContact CG2-CG 4.36Å; I1189-L1206 PolarHBondContact N-O 2.97Å; I1189-L1206 PolarHBondContact O-N 2.79Å; L1206-I1208 HydrophobicContact CD1-CD1 3.74Å; L1206-I1208 HydrophobicContact CD1-CG1 3.99Å; L1206-I1208 HydrophobicContact CG-CD1 4.36Å; L1206-I1208 HydrophobicContact CG-CG1 4.41Å; L1206-Y1227 HydrophobicContact CD1-CG 4.19Å; L1206-I1229 HydrophobicContact CD2-CG1 4.07Å; L1206-I1229 HydrophobicContact CD2-CG2 4.4Å; L1206-I1239 HydrophobicContact CD1-CG2 3.78Å; L1206-I1239 HydrophobicContact CD2-CG2 4.2Å |
| 1207 | Q | 91.9 | Very high | 85.4 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.6 | 174.6 | -52.4 | -161.4 | -101.3 | 0 | 0 | 108.6 | N802 P1186 V1187 M1188 | N802-Q1207 PolarHBondContact ND2-NE2 3.06Å; N802-Q1207 PolarHBondContact ND2-OE1 2.73Å; N802-Q1207 VanDerWaalsContact ND2-OE1 3.12Å; P1186-Q1207 HydrophobicContact CB-CB 4.18Å; V1187-Q1207 WeakPolarHBondContact O-CA 3.4Å; M1188-Q1207 HydrophobicContact CE-CG 4.3Å; M1188-Q1207 HydrophobicContact SD-CG 3.63Å; M1188-Q1207 PolarHBondContact SD-NE2 3.34Å |
| 1208 | I | 90.5 | Very high | 84.9 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.9 | -177.4 | -59.3 | 172.3 | 0 | 0 | 0 | 110.6 | P1186 V1187 I1189 L1206 Y1227 F1243 | P1186-I1208 CarbonylContact C-O 3.22Å; P1186-I1208 WeakPolarHBondContact CA-O 3.28Å; V1187-I1208 PolarHBondContact N-O 3.33Å; V1187-I1208 PolarHBondContact O-N 2.63Å; I1189-I1208 HydrophobicContact CG1-CD1 4.23Å; L1206-I1208 HydrophobicContact CD1-CD1 3.74Å; L1206-I1208 HydrophobicContact CD1-CG1 3.99Å; L1206-I1208 HydrophobicContact CG-CD1 4.36Å; L1206-I1208 HydrophobicContact CG-CG1 4.41Å; I1208-Y1227 HydrophobicContact CD1-CD1 4.12Å; I1208-Y1227 HydrophobicContact CD1-CD2 3.52Å; I1208-Y1227 HydrophobicContact CD1-CE1 4.42Å; I1208-Y1227 HydrophobicContact CD1-CE2 3.83Å; I1208-Y1227 HydrophobicContact CD1-CG 3.67Å; I1208-Y1227 HydrophobicContact CG1-CD1 4.08Å; I1208-Y1227 HydrophobicContact CG1-CD2 4.37Å; I1208-Y1227 HydrophobicContact CG1-CE1 4.32Å; I1208-Y1227 HydrophobicContact CG1-CG 4.11Å; I1208-Y1227 HydrophobicContact CG2-CE1 4.04Å; I1208-Y1227 HydrophobicContact CG2-CE2 4.33Å; I1208-F1243 HydrophobicContact CB-CD2 4.27Å; I1208-F1243 HydrophobicContact CB-CE2 4.23Å; I1208-F1243 HydrophobicContact CD1-CD2 4.2Å; I1208-F1243 HydrophobicContact CD1-CE2 3.4Å; I1208-F1243 HydrophobicContact CD1-CZ 3.95Å; I1208-F1243 HydrophobicContact CG1-CE2 4.41Å; I1208-F1243 HydrophobicContact CG2-CD2 3.64Å; I1208-F1243 HydrophobicContact CG2-CE2 3.97Å; I1208-F1243 HydrophobicContact CG2-CG 4.46Å |
| 1209 | T | 89.8 | Confident | 84.5 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 61% | 0.613 | 27% | 0.273 | S | S | * | . | trans | -75.2 | 119.5 | 173.1 | -61.9 | 0 | 0 | 0 | 0 | 110 | P1184 | P1184-T1209 HydrophobicContact CG-CG2 3.39Š| ||
| 1210 | P | 92.4 | Very high | 83.4 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | trans | -77.5 | 150.4 | 179.1 | 32.2 | -35.1 | 0 | 0 | 0 | 112.4 | L1117 F1144 P1184 P1185 V1187 V1212 F1243 L1245 | L1117-P1210 HydrophobicContact CD1-CB 3.92Å; F1144-P1210 HydrophobicContact CE2-CG 4.45Å; P1184-P1210 HydrophobicContact CB-CG 4.17Å; P1185-P1210 WeakPolarHBondContact O-CD 3.44Å; V1187-P1210 HydrophobicContact CG2-CB 4.24Å; V1187-P1210 HydrophobicContact CG2-CG 4.28Å; P1210-V1212 PolarHBondContact O-N 2.87Å; P1210-F1243 HydrophobicContact CB-CB 3.92Å; P1210-L1245 HydrophobicContact CB-CB 4.14Å; P1210-L1245 HydrophobicContact CG-CB 4.23Å; P1210-L1245 HydrophobicContact CG-CD2 4.38Å | ||
| 1211 | A | 88.8 | Confident | 82.1 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 111.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | F1243 E1244 L1245 | A1211-F1243 WeakPolarHBondContact CB-O 3.4Å; A1211-F1243 PolarHBondContact N-O 3.39Å; A1211-E1244 CarbonylContact O-C 3.54Å; A1211-E1244 WeakPolarHBondContact O-CA 3.31Å; A1211-L1245 PolarHBondContact O-N 3.38Å |
| 1212 | V | 90.1 | Very high | 81.2 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 133.6 | -175.1 | -172 | 0 | 0 | 0 | 0 | 111.7 | W1115 I1180 L1181 P1184 P1210 L1214 W1220 L1245 | W1115-V1212 HydrophobicContact CH2-CG1 3.84Å; W1115-V1212 HydrophobicContact CZ3-CG1 3.6Å; I1180-V1212 HydrophobicContact CG2-CG1 4.39Å; L1181-V1212 HydrophobicContact CB-CB 4.5Å; L1181-V1212 HydrophobicContact CB-CG1 4.23Å; L1181-V1212 HydrophobicContact CD1-CB 3.79Å; L1181-V1212 HydrophobicContact CD1-CG1 4.23Å; P1184-V1212 HydrophobicContact CB-CG2 3.59Å; P1184-V1212 HydrophobicContact CG-CG2 4.18Å; P1210-V1212 PolarHBondContact O-N 2.87Å; V1212-L1214 HydrophobicContact CG1-CD2 4.29Å; V1212-W1220 WeakPolarHBondContact O-CH2 3.43Å; V1212-W1220 WeakPolarHBondContact O-CZ3 3.41Å; V1212-L1245 CarbonylContact C-O 3.56Å; V1212-L1245 WeakPolarHBondContact CA-O 3.11Å; V1212-L1245 HydrophobicContact CG2-CD2 4.18Å |
| 1213 | R | 86.7 | Confident | 80.5 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.3 | 177.6 | -71.6 | 174.7 | 53.6 | -161.6 | -8 | 110.3 | D1215 T1216 T1218 W1220 E1244 L1245 I1246 L1247 | R1213-D1215 VanDerWaalsContact C-N 3.28Å; R1213-D1215 PolarHBondContact NH2-O 2.96Å; R1213-T1216 PolarHBondContact NH2-O 2.82Å; R1213-T1218 PolarHBondContact NE-O 2.78Å; R1213-T1218 PolarHBondContact NH2-O 2.6Å; R1213-W1220 HydrophobicContact CG-CD2 4.46Å; R1213-W1220 HydrophobicContact CG-CE3 3.61Å; R1213-W1220 HydrophobicContact CG-CH2 4.01Å; R1213-W1220 HydrophobicContact CG-CZ3 3.36Å; R1213-E1244 IonicContact NH1-OE2 3.26Å; R1213-E1244 PolarHBondContact NH1-OE2 2.93Å; R1213-L1245 PolarHBondContact N-O 2.86Å; R1213-I1246 HydrophobicContact CB-CG1 4.47Å; R1213-I1246 HydrophobicContact CB-CG2 4.46Å; R1213-L1247 PolarHBondContact O-N 3.34Å |
| 1214 | L | 87.1 | Confident | 80.3 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -86.4 | -0.5 | 177.1 | -55.7 | -170.1 | 0 | 0 | 0 | 113 | W1115 P1177 K1178 L1181 V1212 | W1115-L1214 HydrophobicContact CH2-CD2 3.79Å; W1115-L1214 HydrophobicContact CZ3-CD2 4.33Å; P1177-L1214 HydrophobicContact CB-CD2 3.64Å; P1177-L1214 WeakPolarHBondContact O-CD2 3.15Å; K1178-L1214 HydrophobicContact CG-CD1 4.31Å; L1181-L1214 HydrophobicContact CB-CD2 4.42Å; L1181-L1214 HydrophobicContact CD2-CD1 3.93Å; L1181-L1214 HydrophobicContact CD2-CG 4.25Å; V1212-L1214 HydrophobicContact CG1-CD2 4.29Å |
| 1215 | D | 80.7 | Confident | 80 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | trans | -144.2 | 150.2 | -178.7 | 78.6 | -58.4 | 0 | 0 | 0 | 113.5 | R1213 E1217 T1218 | R1213-D1215 VanDerWaalsContact C-N 3.28Å; R1213-D1215 PolarHBondContact NH2-O 2.96Å; D1215-E1217 PolarHBondContact OD2-N 3.09Å; D1215-T1218 VanDerWaalsContact CG-OG1 3.32Å; D1215-T1218 WeakPolarHBondContact OD1-CB 3.39Å; D1215-T1218 PolarHBondContact OD1-OG1 3.02Å; D1215-T1218 WeakPolarHBondContact OD2-CB 3.13Å; D1215-T1218 PolarHBondContact OD2-N 2.88Å; D1215-T1218 PolarHBondContact OD2-OG1 3.03Å | ||
| 1216 | T | 73.7 | Confident | 79.7 | Confident | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -81.5 | -16.8 | -179.3 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | R1213 I1246 L1248 K1251 | R1213-T1216 PolarHBondContact NH2-O 2.82Å; T1216-I1246 HydrophobicContact CG2-CG2 4.36Å; T1216-L1248 HydrophobicContact CG2-CD2 4.12Å; T1216-K1251 HydrophobicContact CG2-CB 4.18Å; T1216-K1251 HydrophobicContact CG2-CD 4.05Å; T1216-K1251 WeakPolarHBondContact OG1-CD 3.41Å |
| 1217 | E | 70.2 | Confident | 79.5 | Confident | 158 Ų | 158 | 60.9 Ų | 60.9 | 74% | 0.738 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -93.4 | -36.4 | -168.2 | -68.8 | 176.2 | -149.7 | 0 | 0 | 113.3 | D1215 T1219 | D1215-E1217 PolarHBondContact OD2-N 3.09Å; E1217-T1219 PolarHBondContact O-N 3.44Å |
| 1218 | T | 64.7 | Low | 79.4 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 37% | 0.368 | 32% | 0.322 | S | S | . | . | trans | -70.1 | 102.8 | -177.7 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | R1213 D1215 W1220 | R1213-T1218 PolarHBondContact NE-O 2.78Å; R1213-T1218 PolarHBondContact NH2-O 2.6Å; D1215-T1218 VanDerWaalsContact CG-OG1 3.32Å; D1215-T1218 WeakPolarHBondContact OD1-CB 3.39Å; D1215-T1218 PolarHBondContact OD1-OG1 3.02Å; D1215-T1218 WeakPolarHBondContact OD2-CB 3.13Å; D1215-T1218 PolarHBondContact OD2-N 2.88Å; D1215-T1218 PolarHBondContact OD2-OG1 3.03Å; T1218-W1220 PolarHBondContact O-N 2.68Å | ||
| 1219 | T | 58.6 | Low | 79.4 | Confident | 128 Ų | 128 | 59 Ų | 59 | 79% | 0.785 | 32% | 0.321 | S | S | * | . | trans | -81.1 | 100.9 | 173.3 | 55 | 0 | 0 | 0 | 0 | 110.8 | E1217 | E1217-T1219 PolarHBondContact O-N 3.44Š| ||
| 1220 | W | 55.4 | Low | 79.3 | Confident | 135 Ų | 135 | 59.5 Ų | 59.5 | 51% | 0.511 | 32% | 0.317 | S | S | . | . | trans | -80.7 | 144.2 | 161.8 | -65.2 | -30.9 | 0 | 0 | 0 | 110.7 | V1212 R1213 T1218 N1222 | V1212-W1220 WeakPolarHBondContact O-CH2 3.43Å; V1212-W1220 WeakPolarHBondContact O-CZ3 3.41Å; R1213-W1220 HydrophobicContact CG-CD2 4.46Å; R1213-W1220 HydrophobicContact CG-CE3 3.61Å; R1213-W1220 HydrophobicContact CG-CH2 4.01Å; R1213-W1220 HydrophobicContact CG-CZ3 3.36Å; T1218-W1220 PolarHBondContact O-N 2.68Å; W1220-N1222 VanDerWaalsContact C-N 3.34Å; W1220-N1222 PolarHBondContact O-N 3.43Å; W1220-N1222 VanDerWaalsContact O-N 3.1Å | ||
| 1221 | A | 58.8 | Low | 78.8 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | trans | -74.9 | 91.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | V1223 | A1221-V1223 WeakPolarHBondContact O-CG2 3.35Å; A1221-V1223 PolarHBondContact O-N 2.69Å | ||
| 1222 | N | 67.7 | Low | 78.1 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 121.4 | 168.7 | -78.8 | -46 | 0 | 0 | 0 | 108.4 | W1220 E1244 I1270 | W1220-N1222 VanDerWaalsContact C-N 3.34Å; W1220-N1222 PolarHBondContact O-N 3.43Å; W1220-N1222 VanDerWaalsContact O-N 3.1Å; N1222-E1244 PolarHBondContact ND2-OE2 2.93Å; N1222-E1244 VanDerWaalsContact ND2-OE2 3.14Å; N1222-I1270 HydrophobicContact CB-CD1 4.23Å |
| 1223 | V | 76.2 | Confident | 77.1 | Confident | 82 Ų | 82 | 75.2 Ų | 75.2 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -99 | 130.4 | -174.5 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | A1221 Y1342 | A1221-V1223 WeakPolarHBondContact O-CG2 3.35Å; A1221-V1223 PolarHBondContact O-N 2.69Å; V1223-Y1342 WeakPolarHBondContact CG1-OH 3.34Å |
| 1224 | L | 85.2 | Confident | 76.5 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 142.5 | 177.7 | -67.8 | 168.3 | 0 | 0 | 0 | 110.2 | F1122 L1240 A1242 I1270 P1272 Y1342 | F1122-L1224 HydrophobicContact CB-CD1 3.95Å; F1122-L1224 HydrophobicContact CB-CD2 4.23Å; F1122-L1224 HydrophobicContact CD1-CD1 4.21Å; F1122-L1224 HydrophobicContact CD2-CD1 4.38Å; F1122-L1224 HydrophobicContact CG-CD1 3.92Å; L1224-L1240 HydrophobicContact CB-CD1 3.64Å; L1224-L1240 HydrophobicContact CB-CG 3.98Å; L1224-L1240 HydrophobicContact CD1-CG 4.43Å; L1224-A1242 HydrophobicContact CD2-CB 3.94Å; L1224-I1270 HydrophobicContact CD1-CG2 4.49Å; L1224-I1270 HydrophobicContact CD2-CG2 4.03Å; L1224-I1270 HydrophobicContact CG-CG2 3.92Å; L1224-P1272 HydrophobicContact CD1-CG 4.21Å; L1224-Y1342 HydrophobicContact CB-CD1 4.42Å; L1224-Y1342 HydrophobicContact CB-CE1 3.66Å; L1224-Y1342 PolarHBondContact N-OH 2.87Å; L1224-Y1342 WeakPolarHBondContact O-CE1 3.43Å; L1224-Y1342 PolarHBondContact O-OH 2.94Å |
| 1225 | Q | 84.2 | Confident | 76 | Confident | 107 Ų | 107 | 84.6 Ų | 84.6 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.8 | 179.6 | -65.7 | -176.6 | 0.9 | 0 | 0 | 111.8 | Y1227 L1240 A1241 | Q1225-Y1227 HydrophobicContact CB-CE1 4.46Å; Q1225-Y1227 HydrophobicContact CB-CE2 3.76Å; Q1225-Y1227 VanDerWaalsContact O-CD2 3.27Å; Q1225-Y1227 WeakPolarHBondContact O-CD2 3.46Å; Q1225-Y1227 WeakPolarHBondContact O-CE2 3.5Å; Q1225-Y1227 PolarHBondContact OE1-OH 2.93Å; Q1225-Y1227 VanDerWaalsContact OE1-OH 3.09Å; Q1225-L1240 VanDerWaalsContact C-CD1 3.47Å; Q1225-L1240 WeakPolarHBondContact O-CA 3.23Å; Q1225-A1241 PolarHBondContact N-O 2.7Å; Q1225-A1241 PolarHBondContact O-N 2.85Å |
| 1226 | W | 86.8 | Confident | 76 | Confident | 54 Ų | 54 | 82.5 Ų | 82.5 | 21% | 0.205 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.6 | 172.3 | -73.9 | 105.6 | 0 | 0 | 0 | 110.7 | Q1123 R1125 E1238 I1239 L1240 I1341 | Q1123-W1226 HydrophobicContact CG-CH2 3.77Å; Q1123-W1226 HydrophobicContact CG-CZ2 4.37Å; Q1123-W1226 HydrophobicContact CG-CZ3 4.46Å; R1125-W1226 HydrophobicContact CB-CH2 4Å; R1125-W1226 HydrophobicContact CB-CZ3 4.15Å; R1125-W1226 HydrophobicContact CG-CE3 4.25Å; R1125-W1226 HydrophobicContact CG-CH2 3.69Å; R1125-W1226 HydrophobicContact CG-CZ2 4.46Å; R1125-W1226 HydrophobicContact CG-CZ3 3.57Å; W1226-E1238 HydrophobicContact CE3-CB 3.74Å; W1226-E1238 HydrophobicContact CZ3-CB 4.26Å; W1226-E1238 WeakPolarHBondContact CZ3-O 3.42Å; W1226-I1239 CarbonylContact C-O 3.44Å; W1226-I1239 WeakPolarHBondContact CA-O 3.27Å; W1226-I1239 VanDerWaalsContact CE3-C 3.48Å; W1226-L1240 HydrophobicContact CD2-CB 3.89Å; W1226-L1240 HydrophobicContact CD2-CD1 4.18Å; W1226-L1240 HydrophobicContact CE3-CB 3.74Å; W1226-L1240 HydrophobicContact CG-CD1 4.17Å; W1226-L1240 HydrophobicContact CH2-CB 3.84Å; W1226-L1240 HydrophobicContact CZ2-CB 3.98Å; W1226-L1240 HydrophobicContact CZ2-CD2 4Å; W1226-L1240 HydrophobicContact CZ2-CG 4.47Å; W1226-L1240 HydrophobicContact CZ3-CB 3.71Å; W1226-I1341 PolarHBondContact NE1-O 2.79Å |
| 1227 | Y | 89.1 | Confident | 76.7 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.9 | 173.9 | -56.3 | -85.1 | 0 | 0 | 0 | 110.2 | L1206 I1208 Q1225 E1238 I1239 | L1206-Y1227 HydrophobicContact CD1-CG 4.19Å; I1208-Y1227 HydrophobicContact CD1-CD1 4.12Å; I1208-Y1227 HydrophobicContact CD1-CD2 3.52Å; I1208-Y1227 HydrophobicContact CD1-CE1 4.42Å; I1208-Y1227 HydrophobicContact CD1-CE2 3.83Å; I1208-Y1227 HydrophobicContact CD1-CG 3.67Å; I1208-Y1227 HydrophobicContact CG1-CD1 4.08Å; I1208-Y1227 HydrophobicContact CG1-CD2 4.37Å; I1208-Y1227 HydrophobicContact CG1-CE1 4.32Å; I1208-Y1227 HydrophobicContact CG1-CG 4.11Å; I1208-Y1227 HydrophobicContact CG2-CE1 4.04Å; I1208-Y1227 HydrophobicContact CG2-CE2 4.33Å; Q1225-Y1227 HydrophobicContact CB-CE1 4.46Å; Q1225-Y1227 HydrophobicContact CB-CE2 3.76Å; Q1225-Y1227 VanDerWaalsContact O-CD2 3.27Å; Q1225-Y1227 WeakPolarHBondContact O-CD2 3.46Å; Q1225-Y1227 WeakPolarHBondContact O-CE2 3.5Å; Q1225-Y1227 PolarHBondContact OE1-OH 2.93Å; Q1225-Y1227 VanDerWaalsContact OE1-OH 3.09Å; Y1227-E1238 CarbonylContact O-C 3.52Å; Y1227-E1238 VanDerWaalsContact O-CA 3.28Å; Y1227-E1238 WeakPolarHBondContact O-CA 3.42Å; Y1227-I1239 PolarHBondContact N-O 2.83Å; Y1227-I1239 PolarHBondContact O-N 2.92Å |
| 1228 | T | 90.1 | Very high | 77.6 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 34% | 0.337 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 134.5 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | K1235 | T1228-K1235 HydrophobicContact CG2-CD 4.41Å; T1228-K1235 HydrophobicContact CG2-CG 4.12Å |
| 1229 | I | 91.5 | Very high | 78.9 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 133.5 | 176.3 | -50.3 | 177.9 | 0 | 0 | 0 | 108.2 | L1191 L1206 G1236 G1237 I1239 | L1191-I1229 HydrophobicContact CD2-CD1 3.86Å; L1206-I1229 HydrophobicContact CD2-CG1 4.07Å; L1206-I1229 HydrophobicContact CD2-CG2 4.4Å; I1229-G1236 PolarHBondContact O-N 3.03Å; I1229-G1237 WeakPolarHBondContact CB-O 3.38Å; I1229-G1237 PolarHBondContact N-O 2.92Å; I1229-I1239 HydrophobicContact CD1-CB 4.17Å; I1229-I1239 HydrophobicContact CG1-CB 4.4Å; I1229-I1239 HydrophobicContact CG1-CG2 4.3Å |
| 1230 | E | 86.8 | Confident | 80.4 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.8 | -179.8 | -63.8 | -163.2 | 167.7 | 0 | 0 | 113.7 | G1204 R1205 | G1204-E1230 CarbonylContact C-O 3.6Å; G1204-E1230 WeakPolarHBondContact CA-O 3.5Å; R1205-E1230 PolarHBondContact N-O 2.89Å; R1205-E1230 PolarHBondContact O-N 3.03Å |
| 1231 | K | 83.5 | Confident | 82.2 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 114.2 | 169.6 | -177.6 | 173.1 | 177.3 | 171.5 | 0 | 108.7 | L1128 H1201 F1202 L1203 R1233 K1234 | L1128-K1231 HydrophobicContact CD1-CB 4.44Å; L1128-K1231 HydrophobicContact CD1-CD 3.71Å; H1201-K1231 PolarHBondContact CE1-NZ 3.43Å; H1201-K1231 VanDerWaalsContact CE1-NZ 3.27Å; H1201-K1231 PolarHBondContact NE2-NZ 2.83Å; F1202-K1231 HydrophobicContact CD1-CG 4.46Å; F1202-K1231 HydrophobicContact CE1-CG 4.31Å; F1202-K1231 WeakPolarHBondContact O-CE 3.41Å; F1202-K1231 PolarHBondContact O-NZ 2.83Å; L1203-K1231 WeakPolarHBondContact O-CD 3.14Å; K1231-R1233 VanDerWaalsContact C-N 3.31Å; K1231-R1233 PolarHBondContact O-N 2.95Å; K1231-K1234 PolarHBondContact N-O 2.95Å; K1231-K1234 WeakPolarHBondContact O-CB 3.35Å; K1231-K1234 PolarHBondContact O-N 3.45Å |
| 1232 | N | 73 | Confident | 83.8 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 51% | 0.508 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.4 | 179.2 | -55.6 | -10.5 | 0 | 0 | 0 | 113.9 | K1234 | N1232-K1234 PolarHBondContact O-N 3.37Š|
| 1233 | R | 70.2 | Confident | 84.9 | Confident | 241 Ų | 241 | 56.6 Ų | 56.6 | 91% | 0.909 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 11.8 | -174 | -51 | 177.6 | 180 | 162.2 | 0.1 | 115.5 | K1231 | K1231-R1233 VanDerWaalsContact C-N 3.31Å; K1231-R1233 PolarHBondContact O-N 2.95Å |
| 1234 | K | 73.2 | Confident | 85.6 | Confident | 113 Ų | 113 | 53 Ų | 53 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 151.3 | 167.8 | -58.9 | -176.7 | -178.6 | -177.2 | 0 | 109.7 | K1231 N1232 G1236 E1494 | K1231-K1234 PolarHBondContact N-O 2.95Å; K1231-K1234 WeakPolarHBondContact O-CB 3.35Å; K1231-K1234 PolarHBondContact O-N 3.45Å; N1232-K1234 PolarHBondContact O-N 3.37Å; K1234-G1236 PolarHBondContact O-N 3.36Å; K1234-E1494 IonicContact NZ-OE1 3.5Å; K1234-E1494 PolarHBondContact NZ-OE1 2.98Å; K1234-E1494 IonicContact NZ-OE2 3.4Å; K1234-E1494 PolarHBondContact NZ-OE2 3.2Å |
| 1235 | K | 76.7 | Confident | 86 | Confident | 160 Ų | 160 | 53 Ų | 53 | 70% | 0.696 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126 | 173.6 | -68.6 | -169.2 | 173.8 | -166.2 | 0 | 110.2 | T1228 | T1228-K1235 HydrophobicContact CG2-CD 4.41Å; T1228-K1235 HydrophobicContact CG2-CG 4.12Å |
| 1236 | G | 81.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 4 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | L1128 I1229 K1234 | L1128-G1236 PolarHBondContact N-O 3.49Å; I1229-G1236 PolarHBondContact O-N 3.03Å; K1234-G1236 PolarHBondContact O-N 3.36Å |
| 1237 | G | 86.6 | Confident | 86.5 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129 | -170.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1125 S1126 I1229 | R1125-G1237 WeakPolarHBondContact O-CA 3.35Å; S1126-G1237 VanDerWaalsContact O-CA 3.24Å; S1126-G1237 WeakPolarHBondContact O-CA 3.01Å; I1229-G1237 WeakPolarHBondContact CB-O 3.38Å; I1229-G1237 PolarHBondContact N-O 2.92Å |
| 1238 | E | 90 | Very high | 86.2 | Confident | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145 | 173.6 | -59.3 | -177.2 | 143.8 | 0 | 0 | 110.1 | A1124 R1125 W1226 Y1227 | A1124-E1238 CarbonylContact C-O 3.53Å; A1124-E1238 WeakPolarHBondContact CA-O 3.32Å; A1124-E1238 WeakPolarHBondContact CB-O 3.47Å; R1125-E1238 HydrophobicContact CG-CB 4.16Å; R1125-E1238 IonicContact CZ-OE2 3.31Å; R1125-E1238 PolarHBondContact N-O 3.3Å; R1125-E1238 IonicContact NE-OE2 2.85Å; R1125-E1238 PolarHBondContact NE-OE2 3.48Å; R1125-E1238 IonicContact NH2-OE2 3.34Å; R1125-E1238 PolarHBondContact NH2-OE2 3.05Å; R1125-E1238 PolarHBondContact O-N 3.43Å; W1226-E1238 HydrophobicContact CE3-CB 3.74Å; W1226-E1238 HydrophobicContact CZ3-CB 4.26Å; W1226-E1238 WeakPolarHBondContact CZ3-O 3.42Å; Y1227-E1238 CarbonylContact O-C 3.52Å; Y1227-E1238 VanDerWaalsContact O-CA 3.28Å; Y1227-E1238 WeakPolarHBondContact O-CA 3.42Å |
| 1239 | I | 92.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.7 | 177.2 | -169.8 | 170.6 | 0 | 0 | 0 | 110.6 | I1121 A1124 V1140 W1162 I1189 L1206 W1226 Y1227 I1229 | I1121-I1239 HydrophobicContact CG2-CD1 4.19Å; A1124-I1239 HydrophobicContact CB-CB 4.43Å; A1124-I1239 HydrophobicContact CB-CG1 4.44Å; V1140-I1239 HydrophobicContact CG2-CD1 3.78Å; W1162-I1239 HydrophobicContact CZ3-CD1 4.47Å; I1189-I1239 HydrophobicContact CG2-CD1 4.15Å; L1206-I1239 HydrophobicContact CD1-CG2 3.78Å; L1206-I1239 HydrophobicContact CD2-CG2 4.2Å; W1226-I1239 CarbonylContact C-O 3.44Å; W1226-I1239 WeakPolarHBondContact CA-O 3.27Å; W1226-I1239 VanDerWaalsContact CE3-C 3.48Å; Y1227-I1239 PolarHBondContact N-O 2.83Å; Y1227-I1239 PolarHBondContact O-N 2.92Å; I1229-I1239 HydrophobicContact CD1-CB 4.17Å; I1229-I1239 HydrophobicContact CG1-CB 4.4Å; I1229-I1239 HydrophobicContact CG1-CG2 4.3Å |
| 1240 | L | 90.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 108.7 | 175.3 | -177.3 | 58.5 | 0 | 0 | 0 | 109 | F1122 Q1123 L1224 Q1225 W1226 Y1342 | F1122-L1240 WeakPolarHBondContact CB-O 3.36Å; F1122-L1240 HydrophobicContact CD1-CD2 3.95Å; F1122-L1240 PolarHBondContact N-O 3.41Å; F1122-L1240 VanDerWaalsContact N-O 3.14Å; Q1123-L1240 HydrophobicContact CG-CB 3.82Å; Q1123-L1240 HydrophobicContact CG-CD2 4.01Å; Q1123-L1240 HydrophobicContact CG-CG 4.48Å; Q1123-L1240 PolarHBondContact N-O 3Å; Q1123-L1240 PolarHBondContact O-N 2.9Å; L1224-L1240 HydrophobicContact CB-CD1 3.64Å; L1224-L1240 HydrophobicContact CB-CG 3.98Å; L1224-L1240 HydrophobicContact CD1-CG 4.43Å; Q1225-L1240 VanDerWaalsContact C-CD1 3.47Å; Q1225-L1240 WeakPolarHBondContact O-CA 3.23Å; W1226-L1240 HydrophobicContact CD2-CB 3.89Å; W1226-L1240 HydrophobicContact CD2-CD1 4.18Å; W1226-L1240 HydrophobicContact CE3-CB 3.74Å; W1226-L1240 HydrophobicContact CG-CD1 4.17Å; W1226-L1240 HydrophobicContact CH2-CB 3.84Å; W1226-L1240 HydrophobicContact CZ2-CB 3.98Å; W1226-L1240 HydrophobicContact CZ2-CD2 4Å; W1226-L1240 HydrophobicContact CZ2-CG 4.47Å; W1226-L1240 HydrophobicContact CZ3-CB 3.71Å; L1240-Y1342 HydrophobicContact CD1-CD1 4.01Å; L1240-Y1342 HydrophobicContact CD1-CE1 4.02Å; L1240-Y1342 HydrophobicContact CD2-CD1 3.68Å; L1240-Y1342 HydrophobicContact CD2-CE1 4.41Å; L1240-Y1342 HydrophobicContact CD2-CG 4.5Å; L1240-Y1342 HydrophobicContact CG-CD1 4.45Å |
| 1241 | A | 92.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 168.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1120 I1121 Q1225 F1243 | Y1120-A1241 CarbonylContact O-C 3.58Å; Y1120-A1241 WeakPolarHBondContact O-CA 3.07Å; Y1120-A1241 WeakPolarHBondContact O-CB 3.37Å; I1121-A1241 HydrophobicContact CD1-CB 4.06Å; Q1225-A1241 PolarHBondContact N-O 2.7Å; Q1225-A1241 PolarHBondContact O-N 2.85Å; A1241-F1243 HydrophobicContact CB-CE2 3.58Å; A1241-F1243 HydrophobicContact CB-CZ 3.89Å |
| 1242 | A | 91.3 | Very high | 84.1 | Confident | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 154.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y1120 L1224 | Y1120-A1242 WeakPolarHBondContact CB-O 3.22Å; Y1120-A1242 HydrophobicContact CD2-CB 4.16Å; Y1120-A1242 PolarHBondContact N-O 2.87Å; Y1120-A1242 PolarHBondContact O-N 2.81Å; L1224-A1242 HydrophobicContact CD2-CB 3.94Å |
| 1243 | F | 92.5 | Very high | 84.3 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 127.2 | -173.8 | -59.9 | -94.6 | 0 | 0 | 0 | 110 | R1118 A1119 I1121 V1187 I1189 I1208 P1210 A1211 A1241 | R1118-F1243 WeakPolarHBondContact O-CA 3.2Å; A1119-F1243 HydrophobicContact CB-CD1 3.49Å; A1119-F1243 VanDerWaalsContact CB-CD1 3.49Å; A1119-F1243 HydrophobicContact CB-CE1 3.41Å; A1119-F1243 VanDerWaalsContact CB-CE1 3.41Å; I1121-F1243 HydrophobicContact CD1-CE1 3.98Å; I1121-F1243 HydrophobicContact CD1-CZ 3.72Å; V1187-F1243 HydrophobicContact CB-CD1 4.22Å; V1187-F1243 HydrophobicContact CB-CE1 4.39Å; V1187-F1243 HydrophobicContact CG1-CD1 3.99Å; V1187-F1243 HydrophobicContact CG1-CE1 3.85Å; V1187-F1243 HydrophobicContact CG2-CD1 3.98Å; V1187-F1243 HydrophobicContact CG2-CG 4.41Å; I1189-F1243 HydrophobicContact CD1-CE1 3.75Å; I1189-F1243 HydrophobicContact CD1-CZ 3.69Å; I1189-F1243 HydrophobicContact CG1-CE1 4.38Å; I1189-F1243 HydrophobicContact CG1-CZ 3.94Å; I1208-F1243 HydrophobicContact CB-CD2 4.27Å; I1208-F1243 HydrophobicContact CB-CE2 4.23Å; I1208-F1243 HydrophobicContact CD1-CD2 4.2Å; I1208-F1243 HydrophobicContact CD1-CE2 3.4Å; I1208-F1243 HydrophobicContact CD1-CZ 3.95Å; I1208-F1243 HydrophobicContact CG1-CE2 4.41Å; I1208-F1243 HydrophobicContact CG2-CD2 3.64Å; I1208-F1243 HydrophobicContact CG2-CE2 3.97Å; I1208-F1243 HydrophobicContact CG2-CG 4.46Å; P1210-F1243 HydrophobicContact CB-CB 3.92Å; A1211-F1243 WeakPolarHBondContact CB-O 3.4Å; A1211-F1243 PolarHBondContact N-O 3.39Å; A1241-F1243 HydrophobicContact CB-CE2 3.58Å; A1241-F1243 HydrophobicContact CB-CZ 3.89Å |
| 1244 | E | 90.1 | Very high | 84.6 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.7 | 173.2 | 68.2 | 176.6 | 166.9 | 0 | 0 | 111.9 | L1117 R1118 Y1120 A1211 R1213 N1222 I1246 | L1117-E1244 CarbonylContact C-O 3.58Å; L1117-E1244 WeakPolarHBondContact CA-O 3.4Å; L1117-E1244 WeakPolarHBondContact CD1-O 3.26Å; R1118-E1244 HydrophobicContact CB-CG 3.9Å; R1118-E1244 WeakPolarHBondContact CD-OE1 3.45Å; R1118-E1244 PolarHBondContact N-O 2.84Å; R1118-E1244 IonicContact NH1-OE1 2.72Å; R1118-E1244 PolarHBondContact O-N 2.69Å; Y1120-E1244 HydrophobicContact CE2-CG 3.9Å; Y1120-E1244 PolarHBondContact OH-OE1 2.68Å; A1211-E1244 CarbonylContact O-C 3.54Å; A1211-E1244 WeakPolarHBondContact O-CA 3.31Å; R1213-E1244 IonicContact NH1-OE2 3.26Å; R1213-E1244 PolarHBondContact NH1-OE2 2.93Å; N1222-E1244 PolarHBondContact ND2-OE2 2.93Å; N1222-E1244 VanDerWaalsContact ND2-OE2 3.14Å; E1244-I1246 HydrophobicContact CG-CD1 4.13Å; E1244-I1246 HydrophobicContact CG-CG1 4.2Å |
| 1245 | L | 92.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 110.3 | -179.7 | 179.3 | 68.5 | 0 | 0 | 0 | 108.7 | W1115 L1117 F1144 M1173 I1180 P1210 A1211 V1212 R1213 | W1115-L1245 HydrophobicContact CB-CD1 3.94Å; W1115-L1245 HydrophobicContact CD2-CG 4.37Å; W1115-L1245 HydrophobicContact CE3-CD1 4.23Å; W1115-L1245 HydrophobicContact CE3-CD2 4.21Å; W1115-L1245 HydrophobicContact CE3-CG 3.71Å; W1115-L1245 HydrophobicContact CG-CD1 4.48Å; W1115-L1245 HydrophobicContact CZ3-CD2 4.47Å; W1115-L1245 HydrophobicContact CZ3-CG 4.22Å; L1117-L1245 HydrophobicContact CB-CD1 4.01Å; L1117-L1245 HydrophobicContact CD1-CB 4.12Å; L1117-L1245 HydrophobicContact CD1-CD1 4.3Å; F1144-L1245 HydrophobicContact CE1-CD1 3.88Å; F1144-L1245 HydrophobicContact CZ-CD1 3.91Å; F1144-L1245 HydrophobicContact CZ-CD2 4.01Å; M1173-L1245 HydrophobicContact CE-CD1 4.25Å; M1173-L1245 HydrophobicContact CE-CD2 4.16Å; I1180-L1245 HydrophobicContact CG2-CD2 3.99Å; P1210-L1245 HydrophobicContact CB-CB 4.14Å; P1210-L1245 HydrophobicContact CG-CB 4.23Å; P1210-L1245 HydrophobicContact CG-CD2 4.38Å; A1211-L1245 PolarHBondContact O-N 3.38Å; V1212-L1245 CarbonylContact C-O 3.56Å; V1212-L1245 WeakPolarHBondContact CA-O 3.11Å; V1212-L1245 HydrophobicContact CG2-CD2 4.18Å; R1213-L1245 PolarHBondContact N-O 2.86Å |
| 1246 | I | 90.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.2 | -168.1 | -47.8 | 177 | 0 | 0 | 0 | 110.4 | W1115 H1116 R1213 T1216 E1244 L1248 P1254 | W1115-I1246 CarbonylContact C-O 3.52Å; W1115-I1246 WeakPolarHBondContact CA-O 3.18Å; H1116-I1246 HydrophobicContact CB-CB 4.48Å; H1116-I1246 PolarHBondContact N-O 3.02Å; H1116-I1246 PolarHBondContact O-N 2.91Å; R1213-I1246 HydrophobicContact CB-CG1 4.47Å; R1213-I1246 HydrophobicContact CB-CG2 4.46Å; T1216-I1246 HydrophobicContact CG2-CG2 4.36Å; E1244-I1246 HydrophobicContact CG-CD1 4.13Å; E1244-I1246 HydrophobicContact CG-CG1 4.2Å; I1246-L1248 HydrophobicContact CG2-CD2 4.44Å; I1246-P1254 HydrophobicContact CD1-CG 3.78Å |
| 1247 | L | 91.5 | Very high | 84.7 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.5 | 172.4 | -174 | 67.2 | 0 | 0 | 0 | 111 | H1113 W1115 P1177 R1213 | H1113-L1247 HydrophobicContact CB-CD1 3.88Å; W1115-L1247 HydrophobicContact CD2-CB 4.47Å; W1115-L1247 HydrophobicContact CD2-CD1 3.98Å; W1115-L1247 HydrophobicContact CE3-CB 3.96Å; W1115-L1247 HydrophobicContact CE3-CD1 4.3Å; W1115-L1247 HydrophobicContact CH2-CB 4.16Å; W1115-L1247 HydrophobicContact CH2-CD1 4.19Å; W1115-L1247 HydrophobicContact CZ2-CD1 3.81Å; W1115-L1247 HydrophobicContact CZ3-CB 3.79Å; W1115-L1247 HydrophobicContact CZ3-CD1 4.4Å; P1177-L1247 HydrophobicContact CB-CD1 4.48Å; P1177-L1247 HydrophobicContact CB-CD2 3.89Å; P1177-L1247 HydrophobicContact CG-CD1 4.17Å; P1177-L1247 HydrophobicContact CG-CD2 3.88Å; R1213-L1247 PolarHBondContact O-N 3.34Å |
| 1248 | L | 84.2 | Confident | 84.5 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | trans | -105.2 | -51.4 | -179.5 | -60.4 | -168.8 | 0 | 0 | 0 | 113.7 | I1114 H1116 T1216 I1246 G1250 K1251 P1253 | I1114-L1248 HydrophobicContact CG2-CB 4.5Å; I1114-L1248 WeakPolarHBondContact O-CB 3.39Å; I1114-L1248 PolarHBondContact O-N 3.35Å; H1116-L1248 HydrophobicContact CB-CD1 3.91Å; H1116-L1248 HydrophobicContact CB-CD2 4.06Å; H1116-L1248 HydrophobicContact CB-CG 3.95Å; T1216-L1248 HydrophobicContact CG2-CD2 4.12Å; I1246-L1248 HydrophobicContact CG2-CD2 4.44Å; L1248-G1250 PolarHBondContact O-N 3.48Å; L1248-K1251 WeakPolarHBondContact O-CA 3.34Å; L1248-K1251 WeakPolarHBondContact O-CB 3.36Å; L1248-K1251 WeakPolarHBondContact O-CG 3.18Å; L1248-K1251 PolarHBondContact O-N 3.43Å; L1248-P1253 HydrophobicContact CD1-CB 3.99Å; L1248-P1253 HydrophobicContact CD1-CG 4.48Å; L1248-P1253 HydrophobicContact CD2-CB 4.06Å | ||
| 1249 | D | 78.2 | Confident | 83.8 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 36.8 | 59.5 | 178 | -71.5 | -1.7 | 0 | 0 | 0 | 115.3 | H1113 I1114 K1251 | H1113-D1249 WeakPolarHBondContact CA-OD1 3.28Å; H1113-D1249 IonicContact CE1-OD2 2.86Å; H1113-D1249 IonicContact CG-OD1 3.02Å; H1113-D1249 IonicContact CG-OD2 2.8Å; H1113-D1249 IonicContact ND1-OD1 3.74Å; H1113-D1249 PolarHBondContact ND1-OD1 3.29Å; H1113-D1249 IonicContact ND1-OD2 3.63Å; H1113-D1249 PolarHBondContact ND1-OD2 2.87Å; I1114-D1249 PolarHBondContact N-OD1 2.91Å; D1249-K1251 VanDerWaalsContact C-N 3.28Å; D1249-K1251 PolarHBondContact O-N 2.87Å |
| 1250 | G | 73.5 | Confident | 82.9 | Confident | 83 Ų | 83 | 49.3 Ų | 49.3 | 86% | 0.856 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1248 | L1248-G1250 PolarHBondContact O-N 3.48Š|
| 1251 | K | 79 | Confident | 82.2 | Confident | 107 Ų | 107 | 52.9 Ų | 52.9 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -78.3 | 155.1 | 166.3 | -54.7 | 179.5 | -177.6 | -179.5 | 0 | 110.3 | T1216 L1248 D1249 | T1216-K1251 HydrophobicContact CG2-CB 4.18Å; T1216-K1251 HydrophobicContact CG2-CD 4.05Å; T1216-K1251 WeakPolarHBondContact OG1-CD 3.41Å; L1248-K1251 WeakPolarHBondContact O-CA 3.34Å; L1248-K1251 WeakPolarHBondContact O-CB 3.36Å; L1248-K1251 WeakPolarHBondContact O-CG 3.18Å; L1248-K1251 PolarHBondContact O-N 3.43Å; D1249-K1251 VanDerWaalsContact C-N 3.28Å; D1249-K1251 PolarHBondContact O-N 2.87Å |
| 1252 | S | 76.5 | Confident | 81.1 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 67% | 0.671 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 142.3 | 168 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1253 | P | 76.6 | Confident | 80.7 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 155.7 | 169 | 25.9 | -33.7 | 0 | 0 | 0 | 110.9 | L1248 | L1248-P1253 HydrophobicContact CD1-CB 3.99Å; L1248-P1253 HydrophobicContact CD1-CG 4.48Å; L1248-P1253 HydrophobicContact CD2-CB 4.06Å |
| 1254 | P | 76.8 | Confident | 80.3 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 14% | 0.143 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 150.4 | 171 | -20.4 | 31.2 | 0 | 0 | 0 | 110 | R1118 I1246 | R1118-P1254 PolarHBondContact NH2-O 3.42Å; I1246-P1254 HydrophobicContact CD1-CG 3.78Å |
| 1255 | P | 78.3 | Confident | 80.1 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 72% | 0.721 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 139.3 | -179.7 | 23 | -33.6 | 0 | 0 | 0 | 110.3 | R1118 | R1118-P1255 PolarHBondContact NH2-O 2.96Š|
| 1256 | P | 74.1 | Confident | 79.9 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -62 | 153.6 | 179.1 | 23.3 | -32 | 0 | 0 | 0 | 111.1 | F1264 | P1256-F1264 HydrophobicContact CB-CD1 4.02Å; P1256-F1264 HydrophobicContact CB-CE1 3.55Å |
| 1257 | P | 80.9 | Confident | 79.7 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 10% | 0.104 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -58 | 167.4 | 169.4 | -19.9 | 32 | 0 | 0 | 0 | 112.5 | T1165 I1167 F1264 N1265 P1267 | T1165-P1257 HydrophobicContact CG2-CG 4.23Å; I1167-P1257 HydrophobicContact CD1-CG 4.46Å; P1257-F1264 HydrophobicContact CB-CB 4.42Å; P1257-F1264 HydrophobicContact CG-CB 4.46Å; P1257-N1265 WeakPolarHBondContact CB-O 3.36Å; P1257-P1267 HydrophobicContact CB-CG 4.21Å; P1257-P1267 HydrophobicContact CG-CG 4.08Å |
| 1258 | T | 81.6 | Confident | 79 | Confident | 85 Ų | 85 | 67.1 Ų | 67.1 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 147.2 | 171.9 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | N1265 | T1258-N1265 WeakPolarHBondContact O-CB 3.43Å; T1258-N1265 PolarHBondContact O-N 2.74Å; T1258-N1265 PolarHBondContact O-ND2 3.46Å; T1258-N1265 PolarHBondContact OG1-ND2 2.95Å |
| 1259 | R | 76.8 | Confident | 78.6 | Confident | 120 Ų | 120 | 70 Ų | 70 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 149.2 | -179.7 | -70.2 | -173.4 | -179.7 | -178.9 | 1.9 | 112.8 | L1263 F1264 | R1259-L1263 CarbonylContact C-O 3.56Å; R1259-L1263 WeakPolarHBondContact CA-O 3.49Å; R1259-L1263 WeakPolarHBondContact CB-O 3.22Å; R1259-F1264 HydrophobicContact CG-CD1 3.71Å; R1259-F1264 HydrophobicContact CG-CE1 4.03Å; R1259-F1264 HydrophobicContact CG-CG 4.36Å |
| 1260 | R | 72.9 | Confident | 78.7 | Confident | 137 Ų | 137 | 67.6 Ų | 67.6 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 94.4 | 167.3 | -172.4 | -171.3 | -48 | -177.4 | 9.9 | 107.8 | D1163 T1262 L1263 N1265 | D1163-R1260 IonicContact OD2-CZ 2.76Å; D1163-R1260 IonicContact OD2-NH2 3.54Å; D1163-R1260 PolarHBondContact OD2-NH2 2.94Å; R1260-T1262 PolarHBondContact O-N 3.28Å; R1260-L1263 PolarHBondContact N-O 3.01Å; R1260-L1263 PolarHBondContact O-N 2.87Å; R1260-N1265 PolarHBondContact NE-OD1 3.07Å; R1260-N1265 PolarHBondContact NH2-OD1 3.39Å |
| 1261 | G | 75.3 | Confident | 79.1 | Confident | 74 Ų | 74 | 65.8 Ų | 65.8 | 76% | 0.763 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -120.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1262 | T | 70.5 | Confident | 79.1 | Confident | 84 Ų | 84 | 61 Ų | 61 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.3 | 176.9 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | R1260 | R1260-T1262 PolarHBondContact O-N 3.28Š|
| 1263 | L | 81.9 | Confident | 79.4 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 148 | -176 | -58 | 175.5 | 0 | 0 | 0 | 111.7 | Q1152 E1164 R1259 R1260 | Q1152-L1263 HydrophobicContact CB-CD1 4.33Å; E1164-L1263 HydrophobicContact CG-CD1 4.34Å; R1259-L1263 CarbonylContact C-O 3.56Å; R1259-L1263 WeakPolarHBondContact CA-O 3.49Å; R1259-L1263 WeakPolarHBondContact CB-O 3.22Å; R1260-L1263 PolarHBondContact N-O 3.01Å; R1260-L1263 PolarHBondContact O-N 2.87Å |
| 1264 | F | 84.3 | Confident | 79.8 | Confident | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.4 | 170.2 | -58.6 | -90.9 | 0 | 0 | 0 | 110.1 | E1164 T1165 I1167 P1256 P1257 R1259 | E1164-F1264 CarbonylContact C-O 3.59Å; E1164-F1264 WeakPolarHBondContact CA-O 3.37Å; T1165-F1264 PolarHBondContact N-O 2.75Å; I1167-F1264 HydrophobicContact CD1-CB 4.24Å; I1167-F1264 HydrophobicContact CD1-CD1 3.74Å; I1167-F1264 HydrophobicContact CD1-CD2 3.67Å; I1167-F1264 HydrophobicContact CD1-CE1 3.83Å; I1167-F1264 HydrophobicContact CD1-CE2 3.78Å; I1167-F1264 HydrophobicContact CD1-CG 3.64Å; I1167-F1264 HydrophobicContact CD1-CZ 3.83Å; I1167-F1264 HydrophobicContact CG1-CD2 4.09Å; I1167-F1264 HydrophobicContact CG1-CE2 4.3Å; I1167-F1264 HydrophobicContact CG1-CG 4.4Å; P1256-F1264 HydrophobicContact CB-CD1 4.02Å; P1256-F1264 HydrophobicContact CB-CE1 3.55Å; P1257-F1264 HydrophobicContact CB-CB 4.42Å; P1257-F1264 HydrophobicContact CG-CB 4.46Å; R1259-F1264 HydrophobicContact CG-CD1 3.71Å; R1259-F1264 HydrophobicContact CG-CE1 4.03Å; R1259-F1264 HydrophobicContact CG-CG 4.36Å |
| 1265 | N | 86.5 | Confident | 80.4 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 158.6 | 173.7 | -69.2 | -49.7 | 0 | 0 | 0 | 111.1 | D1163 T1165 P1257 T1258 R1260 R1271 | D1163-N1265 WeakPolarHBondContact O-CA 3.39Å; T1165-N1265 PolarHBondContact OG1-O 3.12Å; P1257-N1265 WeakPolarHBondContact CB-O 3.36Å; T1258-N1265 WeakPolarHBondContact O-CB 3.43Å; T1258-N1265 PolarHBondContact O-N 2.74Å; T1258-N1265 PolarHBondContact O-ND2 3.46Å; T1258-N1265 PolarHBondContact OG1-ND2 2.95Å; R1260-N1265 PolarHBondContact NE-OD1 3.07Å; R1260-N1265 PolarHBondContact NH2-OD1 3.39Å; N1265-R1271 VanDerWaalsContact CB-NH2 3.33Å; N1265-R1271 PolarHBondContact OD1-NH2 3.03Å |
| 1266 | V | 87.8 | Confident | 81 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 137.5 | 162.3 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | Y1120 F1122 D1163 I1270 R1271 | Y1120-V1266 HydrophobicContact CD1-CG1 4.2Å; F1122-V1266 HydrophobicContact CD2-CB 4.44Å; F1122-V1266 HydrophobicContact CD2-CG2 4.19Å; D1163-V1266 PolarHBondContact O-N 2.95Å; V1266-I1270 HydrophobicContact CG1-CB 4Å; V1266-I1270 HydrophobicContact CG1-CG2 3.82Å; V1266-R1271 HydrophobicContact CB-CG 4.02Å; V1266-R1271 HydrophobicContact CG1-CG 3.96Å; V1266-R1271 WeakPolarHBondContact O-CD 3.46Å; V1266-R1271 PolarHBondContact O-NE 2.66Å |
| 1267 | P | 86.1 | Confident | 81.8 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 20% | 0.195 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 143.6 | 179.6 | -25.4 | 34.4 | 0 | 0 | 0 | 114.1 | Y1120 P1257 G1269 I1270 R1271 | Y1120-P1267 HydrophobicContact CD1-CG 4.47Å; Y1120-P1267 HydrophobicContact CE1-CG 3.69Å; P1257-P1267 HydrophobicContact CB-CG 4.21Å; P1257-P1267 HydrophobicContact CG-CG 4.08Å; P1267-G1269 PolarHBondContact O-N 3.47Å; P1267-I1270 HydrophobicContact CB-CD1 4.49Å; P1267-I1270 HydrophobicContact CG-CD1 4.21Å; P1267-I1270 PolarHBondContact O-N 3.39Å; P1267-R1271 PolarHBondContact O-N 3.35Å |
| 1268 | E | 78.1 | Confident | 82.4 | Confident | 132 Ų | 132 | 55.9 Ų | 55.9 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.6 | 178.9 | -62.9 | -59.2 | 149.7 | 0 | 0 | 114.7 | I1270 R1271 | E1268-I1270 VanDerWaalsContact C-N 3.35Å; E1268-R1271 IonicContact OE1-CZ 2.67Å; E1268-R1271 IonicContact OE1-NH1 2.88Å; E1268-R1271 PolarHBondContact OE1-NH1 2.78Å |
| 1269 | G | 75.9 | Confident | 82.9 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 73% | 0.732 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -8.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1267 | P1267-G1269 PolarHBondContact O-N 3.47Š|
| 1270 | I | 79.2 | Confident | 83.7 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -30.4 | 176.2 | -61.2 | 178.6 | 0 | 0 | 0 | 110 | Y1120 N1222 L1224 V1266 P1267 E1268 | Y1120-I1270 HydrophobicContact CD1-CD1 4.28Å; Y1120-I1270 HydrophobicContact CD2-CD1 3.83Å; Y1120-I1270 HydrophobicContact CE1-CD1 3.95Å; Y1120-I1270 HydrophobicContact CE2-CD1 3.44Å; Y1120-I1270 VanDerWaalsContact CE2-CD1 3.44Å; Y1120-I1270 HydrophobicContact CG-CD1 4.23Å; N1222-I1270 HydrophobicContact CB-CD1 4.23Å; L1224-I1270 HydrophobicContact CD1-CG2 4.49Å; L1224-I1270 HydrophobicContact CD2-CG2 4.03Å; L1224-I1270 HydrophobicContact CG-CG2 3.92Å; V1266-I1270 HydrophobicContact CG1-CB 4Å; V1266-I1270 HydrophobicContact CG1-CG2 3.82Å; P1267-I1270 HydrophobicContact CB-CD1 4.49Å; P1267-I1270 HydrophobicContact CG-CD1 4.21Å; P1267-I1270 PolarHBondContact O-N 3.39Å; E1268-I1270 VanDerWaalsContact C-N 3.35Å |
| 1271 | R | 81.3 | Confident | 84.7 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -57.3 | 139.7 | 173.9 | -80 | 179.2 | 165.1 | 169.2 | -1.9 | 110.9 | F1122 D1163 N1265 V1266 P1267 E1268 V1273 | F1122-R1271 HydrophobicContact CE2-CG 4.34Å; D1163-R1271 IonicContact OD1-CZ 3.14Å; D1163-R1271 VanDerWaalsContact OD1-CZ 3.27Å; D1163-R1271 IonicContact OD1-NE 3.69Å; D1163-R1271 PolarHBondContact OD1-NE 3.15Å; D1163-R1271 IonicContact OD1-NH2 2.95Å; D1163-R1271 PolarHBondContact OD1-NH2 2.65Å; D1163-R1271 IonicContact OD2-CZ 3.44Å; D1163-R1271 IonicContact OD2-NE 2.83Å; D1163-R1271 IonicContact OD2-NH2 3.27Å; D1163-R1271 PolarHBondContact OD2-NH2 3.48Å; N1265-R1271 VanDerWaalsContact CB-NH2 3.33Å; N1265-R1271 PolarHBondContact OD1-NH2 3.03Å; V1266-R1271 HydrophobicContact CB-CG 4.02Å; V1266-R1271 HydrophobicContact CG1-CG 3.96Å; V1266-R1271 WeakPolarHBondContact O-CD 3.46Å; V1266-R1271 PolarHBondContact O-NE 2.66Å; P1267-R1271 PolarHBondContact O-N 3.35Å; E1268-R1271 IonicContact OE1-CZ 2.67Å; E1268-R1271 IonicContact OE1-NH1 2.88Å; E1268-R1271 PolarHBondContact OE1-NH1 2.78Å; R1271-V1273 PolarHBondContact O-N 3.11Å |
| 1272 | P | 80.6 | Confident | 85.6 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | trans | -57.1 | 127.1 | 171.5 | -24.8 | 35.4 | 0 | 0 | 0 | 111.4 | F1122 L1224 L1274 P1337 Y1342 | F1122-P1272 HydrophobicContact CE1-CG 3.94Å; F1122-P1272 HydrophobicContact CZ-CG 4.09Å; L1224-P1272 HydrophobicContact CD1-CG 4.21Å; P1272-L1274 PolarHBondContact O-N 3.33Å; P1272-L1274 VanDerWaalsContact O-N 3.09Å; P1272-P1337 HydrophobicContact CB-CB 3.72Å; P1272-P1337 HydrophobicContact CB-CG 3.69Å; P1272-P1337 HydrophobicContact CG-CG 4.39Å; P1272-Y1342 HydrophobicContact CB-CD2 3.56Å; P1272-Y1342 HydrophobicContact CB-CE2 4.43Å; P1272-Y1342 HydrophobicContact CB-CG 3.87Å; P1272-Y1342 HydrophobicContact CG-CD1 4.31Å; P1272-Y1342 HydrophobicContact CG-CD2 3.66Å; P1272-Y1342 HydrophobicContact CG-CE2 4.38Å; P1272-Y1342 HydrophobicContact CG-CG 3.59Å | ||
| 1273 | V | 81.4 | Confident | 86.7 | Confident | 82 Ų | 82 | 32.2 Ų | 32.2 | 50% | 0.497 | 18% | 0.181 | S | C | . | . | trans | -64.4 | 114.8 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | R1271 K1338 | R1271-V1273 PolarHBondContact O-N 3.11Å; V1273-K1338 HydrophobicContact CG1-CD 4.01Å; V1273-K1338 PolarHBondContact O-N 3.15Å | ||
| 1274 | L | 86.5 | Confident | 87.3 | Confident | 90 Ų | 90 | 30 Ų | 30 | 47% | 0.471 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 144 | -178.9 | -56.9 | -179.8 | 0 | 0 | 0 | 111.8 | P1272 L1335 L1336 P1337 | P1272-L1274 PolarHBondContact O-N 3.33Å; P1272-L1274 VanDerWaalsContact O-N 3.09Å; L1274-L1335 HydrophobicContact CB-CB 4.17Å; L1274-L1335 HydrophobicContact CD1-CB 4Å; L1274-L1336 CarbonylContact C-O 3.13Å; L1274-L1336 WeakPolarHBondContact CA-O 3.37Å; L1274-P1337 HydrophobicContact CD2-CG 3.94Å |
| 1275 | Q | 87.8 | Confident | 87.7 | Confident | 57 Ų | 57 | 28.8 Ų | 28.8 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.9 | 169.1 | 178.2 | 160.4 | 15.3 | 0 | 0 | 109.3 | T1277 L1335 L1336 K1338 P1511 | Q1275-T1277 PolarHBondContact O-N 2.89Å; Q1275-T1277 PolarHBondContact O-OG1 2.71Å; Q1275-L1335 WeakPolarHBondContact O-CA 3.44Å; Q1275-L1336 PolarHBondContact N-O 3.09Å; Q1275-L1336 PolarHBondContact O-N 3.38Å; Q1275-K1338 HydrophobicContact CB-CD 4.33Å; Q1275-K1338 HydrophobicContact CB-CG 3.61Å; Q1275-P1511 HydrophobicContact CG-CB 4.45Å |
| 1276 | R | 91.7 | Very high | 88.1 | Confident | 32 Ų | 32 | 28 Ų | 28 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 118.6 | 170.8 | -167.5 | -174.6 | 170 | -152.9 | 6.6 | 109 | D1333 L1335 L1512 P1513 D1515 | R1276-D1333 VanDerWaalsContact CG-OD1 3.26Å; R1276-D1333 WeakPolarHBondContact CG-OD1 3.35Å; R1276-D1333 IonicContact CZ-OD1 2.72Å; R1276-D1333 IonicContact CZ-OD2 2.65Å; R1276-D1333 IonicContact NE-OD1 3.82Å; R1276-D1333 PolarHBondContact NE-OD1 3.46Å; R1276-D1333 IonicContact NE-OD2 3.24Å; R1276-D1333 PolarHBondContact NE-OD2 2.86Å; R1276-D1333 VanDerWaalsContact NE-OD2 3.09Å; R1276-D1333 IonicContact NH2-OD2 2.66Å; R1276-D1333 PolarHBondContact NH2-OD2 2.78Å; R1276-L1335 HydrophobicContact CB-CD2 4.12Å; R1276-L1512 HydrophobicContact CB-CB 4.43Å; R1276-L1512 HydrophobicContact CG-CB 4.07Å; R1276-L1512 HydrophobicContact CG-CD1 4.2Å; R1276-L1512 PolarHBondContact O-N 3.45Å; R1276-P1513 WeakPolarHBondContact CD-O 3.39Å; R1276-P1513 PolarHBondContact NH1-O 3.41Å; R1276-D1515 PolarHBondContact NH1-O 2.78Å |
| 1277 | T | 91.7 | Very high | 88.3 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.1 | -169.7 | -61.1 | 0 | 0 | 0 | 0 | 109 | Q1275 V1334 L1336 I1509 | Q1275-T1277 PolarHBondContact O-N 2.89Å; Q1275-T1277 PolarHBondContact O-OG1 2.71Å; T1277-V1334 PolarHBondContact N-O 2.98Å; T1277-V1334 PolarHBondContact O-N 2.91Å; T1277-L1336 HydrophobicContact CG2-CD1 4.02Å; T1277-I1509 HydrophobicContact CG2-CG2 3.55Å |
| 1278 | G | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109 | I1509 Y1510 | G1278-I1509 WeakPolarHBondContact O-CA 3.49Å; G1278-Y1510 PolarHBondContact N-O 3.25Å; G1278-Y1510 PolarHBondContact O-N 3.36Å |
| 1279 | I | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 104.7 | 169.4 | -51 | 170 | 0 | 0 | 0 | 106.3 | I1281 I1306 F1331 L1332 V1334 L1336 F1507 R1508 I1509 | I1279-I1281 HydrophobicContact CG2-CG1 4.02Å; I1279-I1306 HydrophobicContact CD1-CD1 4.05Å; I1279-I1306 HydrophobicContact CD1-CG2 3.6Å; I1279-F1331 WeakPolarHBondContact O-CA 3.45Å; I1279-L1332 HydrophobicContact CB-CB 4.07Å; I1279-L1332 PolarHBondContact N-O 2.84Å; I1279-L1332 PolarHBondContact O-N 2.68Å; I1279-V1334 HydrophobicContact CD1-CG1 4.44Å; I1279-V1334 HydrophobicContact CD1-CG2 4.23Å; I1279-L1336 HydrophobicContact CD1-CD1 4.13Å; I1279-F1507 HydrophobicContact CG2-CD1 4.37Å; I1279-R1508 WeakPolarHBondContact CA-O 3.47Å; I1279-I1509 HydrophobicContact CG1-CG1 4.3Å; I1279-I1509 HydrophobicContact CG1-CG2 4.46Å; I1279-I1509 HydrophobicContact CG2-CG1 4.17Å |
| 1280 | E | 93 | Very high | 89.5 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 132.2 | 164.9 | -70.2 | -177.3 | -123.3 | 0 | 0 | 109.3 | F1331 F1507 R1508 Y1510 R1523 Y1524 F1525 | E1280-F1331 HydrophobicContact CG-CD2 3.7Å; E1280-F1331 HydrophobicContact CG-CE2 4.07Å; E1280-F1507 CarbonylContact O-C 3.49Å; E1280-F1507 VanDerWaalsContact O-CA 3.3Å; E1280-F1507 WeakPolarHBondContact O-CA 3.32Å; E1280-R1508 HydrophobicContact CB-CB 4.28Å; E1280-R1508 PolarHBondContact N-O 3.5Å; E1280-R1508 PolarHBondContact O-N 3.35Å; E1280-Y1510 HydrophobicContact CG-CE1 3.96Å; E1280-Y1510 WeakPolarHBondContact OE1-CE1 3.45Å; E1280-Y1510 PolarHBondContact OE1-OH 2.85Å; E1280-R1523 HydrophobicContact CG-CG 4.45Å; E1280-R1523 WeakPolarHBondContact OE1-CA 3.14Å; E1280-R1523 WeakPolarHBondContact OE2-CB 3.34Å; E1280-Y1524 VanDerWaalsContact CD-N 3.34Å; E1280-Y1524 PolarHBondContact OE1-N 2.95Å; E1280-Y1524 PolarHBondContact OE2-N 3Å; E1280-Y1524 VanDerWaalsContact OE2-N 3.12Å; E1280-F1525 HydrophobicContact CB-CD2 3.73Å; E1280-F1525 HydrophobicContact CB-CE2 3.96Å; E1280-F1525 WeakPolarHBondContact OE2-CB 3.33Å; E1280-F1525 PolarHBondContact OE2-N 2.68Å |
| 1281 | I | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.3 | -179.2 | -47.5 | -179.3 | 0 | 0 | 0 | 108.7 | I1279 C1283 F1304 V1311 L1330 L1332 F1507 | I1279-I1281 HydrophobicContact CG2-CG1 4.02Å; I1281-C1283 HydrophobicContact CG2-CB 4.22Å; I1281-C1283 PolarHBondContact O-N 3.29Å; I1281-F1304 HydrophobicContact CD1-CB 3.93Å; I1281-F1304 HydrophobicContact CD1-CD1 4.15Å; I1281-F1304 HydrophobicContact CD1-CD2 4.04Å; I1281-F1304 HydrophobicContact CD1-CG 3.78Å; I1281-F1304 HydrophobicContact CG2-CD1 4.32Å; I1281-F1304 HydrophobicContact CG2-CD2 4.46Å; I1281-F1304 HydrophobicContact CG2-CE1 3.89Å; I1281-F1304 HydrophobicContact CG2-CE2 4.04Å; I1281-F1304 HydrophobicContact CG2-CZ 3.73Å; I1281-V1311 HydrophobicContact CD1-CG1 3.79Å; I1281-L1330 HydrophobicContact CB-CB 4.14Å; I1281-L1330 HydrophobicContact CD1-CB 4.5Å; I1281-L1330 PolarHBondContact N-O 3.1Å; I1281-L1330 PolarHBondContact O-N 2.56Å; I1281-L1332 HydrophobicContact CD1-CD1 4.06Å; I1281-L1332 HydrophobicContact CD1-CG 4.39Å; I1281-F1507 HydrophobicContact CB-CD1 4.24Å; I1281-F1507 HydrophobicContact CB-CE1 4.34Å; I1281-F1507 HydrophobicContact CD1-CE1 4.42Å; I1281-F1507 HydrophobicContact CG1-CD1 3.97Å; I1281-F1507 HydrophobicContact CG1-CE1 4.16Å; I1281-F1507 HydrophobicContact CG2-CD1 3.93Å; I1281-F1507 HydrophobicContact CG2-CE1 3.6Å |
| 1282 | L | 93.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 91.2 | 161.6 | 179.4 | 60.7 | 0 | 0 | 0 | 108 | W1284 P1328 L1329 F1480 C1481 G1505 T1506 F1525 L1528 | L1282-W1284 HydrophobicContact CD1-CE3 4.22Å; L1282-W1284 PolarHBondContact O-N 3.41Å; L1282-P1328 HydrophobicContact CD1-CB 4.21Å; L1282-P1328 HydrophobicContact CD1-CG 4.49Å; L1282-L1329 HydrophobicContact CD1-CD2 3.68Å; L1282-F1480 HydrophobicContact CD2-CD1 4.3Å; L1282-F1480 HydrophobicContact CD2-CE1 3.92Å; L1282-F1480 HydrophobicContact CD2-CE2 4.33Å; L1282-F1480 HydrophobicContact CD2-CZ 3.93Å; L1282-F1480 WeakPolarHBondContact CD2-O 3.44Å; L1282-C1481 HydrophobicContact CD2-CB 4.45Å; L1282-G1505 CarbonylContact O-C 3.56Å; L1282-G1505 WeakPolarHBondContact O-CA 3.39Å; L1282-T1506 HydrophobicContact CB-CG2 4.1Å; L1282-T1506 HydrophobicContact CD2-CG2 4.21Å; L1282-T1506 PolarHBondContact N-O 3.44Å; L1282-T1506 PolarHBondContact O-N 3.06Å; L1282-T1506 VanDerWaalsContact O-N 3.12Å; L1282-F1525 HydrophobicContact CB-CD2 4.19Å; L1282-F1525 HydrophobicContact CB-CE2 3.86Å; L1282-F1525 HydrophobicContact CB-CZ 4.07Å; L1282-L1528 HydrophobicContact CD1-CD1 4.09Å; L1282-L1528 HydrophobicContact CD1-CD2 4.1Å |
| 1283 | C | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 83.7 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | I1281 F1304 S1313 F1325 P1328 L1330 F1503 | I1281-C1283 HydrophobicContact CG2-CB 4.22Å; I1281-C1283 PolarHBondContact O-N 3.29Å; C1283-F1304 HydrophobicContact CB-CE2 3.84Å; C1283-F1304 HydrophobicContact CB-CZ 3.87Å; C1283-F1304 VanDerWaalsContact SG-CE2 3.59Å; C1283-S1313 VanDerWaalsContact SG-CB 3.6Å; C1283-F1325 VanDerWaalsContact O-CD2 3.31Å; C1283-F1325 WeakPolarHBondContact O-CD2 3.11Å; C1283-F1325 WeakPolarHBondContact SG-CD2 3.15Å; C1283-F1325 WeakPolarHBondContact SG-CE2 3.38Å; C1283-P1328 WeakPolarHBondContact CA-O 3.19Å; C1283-P1328 WeakPolarHBondContact CB-O 3.34Å; C1283-P1328 PolarHBondContact N-O 2.9Å; C1283-P1328 WeakPolarHBondContact O-CA 3.48Å; C1283-P1328 WeakPolarHBondContact O-CB 2.94Å; C1283-L1330 HydrophobicContact CB-CD1 3.99Å; C1283-L1330 HydrophobicContact CB-CG 4.4Å; C1283-F1503 HydrophobicContact CB-CE2 4.47Å |
| 1284 | W | 93.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -53.2 | -169 | -173.4 | -120.1 | 0 | 0 | 0 | 112.9 | L1282 N1324 F1325 P1328 F1480 K1504 L1528 S1531 E1626 L1630 | L1282-W1284 HydrophobicContact CD1-CE3 4.22Å; L1282-W1284 PolarHBondContact O-N 3.41Å; W1284-N1324 CarbonylContact O-C 3.17Å; W1284-N1324 VanDerWaalsContact O-CA 3.23Å; W1284-N1324 WeakPolarHBondContact O-CA 3.5Å; W1284-N1324 WeakPolarHBondContact O-CB 3.48Å; W1284-F1325 PolarHBondContact O-N 2.82Å; W1284-P1328 HydrophobicContact CE3-CB 4.31Å; W1284-P1328 HydrophobicContact CE3-CG 4.4Å; W1284-P1328 HydrophobicContact CZ3-CG 4.49Å; W1284-F1480 AromaticContact CD2-CE1 3.85Å; W1284-F1480 HydrophobicContact CD2-CE1 3.85Å; W1284-F1480 HydrophobicContact CD2-CZ 4.3Å; W1284-F1480 AromaticContact CE2-CE1 3.93Å; W1284-F1480 HydrophobicContact CE3-CE1 4.03Å; W1284-F1480 HydrophobicContact CE3-CZ 4.03Å; W1284-F1480 HydrophobicContact CG-CE1 4.31Å; W1284-F1480 HydrophobicContact CH2-CE1 4.33Å; W1284-F1480 HydrophobicContact CH2-CZ 4.03Å; W1284-F1480 HydrophobicContact CZ2-CE1 4.18Å; W1284-F1480 HydrophobicContact CZ2-CZ 4.32Å; W1284-F1480 HydrophobicContact CZ3-CE1 4.27Å; W1284-F1480 AromaticContact CZ3-CZ 3.89Å; W1284-F1480 HydrophobicContact CZ3-CZ 3.89Å; W1284-K1504 WeakPolarHBondContact CB-O 3.32Å; W1284-K1504 PolarHBondContact N-O 2.83Å; W1284-K1504 VanDerWaalsContact N-O 3.07Å; W1284-L1528 HydrophobicContact CZ3-CD1 4.27Å; W1284-S1531 WeakPolarHBondContact CH2-O 3.47Å; W1284-E1626 PolarHBondContact NE1-OE1 3.43Å; W1284-L1630 HydrophobicContact CZ2-CD1 4.33Å; W1284-L1630 HydrophobicContact CZ2-CD2 4.34Å |
| 1285 | G | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | -173.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1323 F1503 K1504 | G1285-P1323 WeakPolarHBondContact CA-O 3.19Å; G1285-F1503 WeakPolarHBondContact O-CD2 3.48Å; G1285-K1504 PolarHBondContact N-O 2.66Å; G1285-K1504 PolarHBondContact O-N 3.29Å |
| 1286 | V | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150.6 | 173.7 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | M1289 P1300 V1302 I1316 V1319 P1323 F1325 V1350 E1502 | V1286-M1289 HydrophobicContact CB-CG 4.04Å; V1286-M1289 HydrophobicContact CB-SD 4.07Å; V1286-M1289 HydrophobicContact CG2-CG 3.96Å; V1286-P1300 HydrophobicContact CG2-CG 3.78Å; V1286-V1302 HydrophobicContact CG1-CG2 4.25Å; V1286-I1316 HydrophobicContact CG2-CD1 4.2Å; V1286-V1319 HydrophobicContact CG2-CG1 4.43Å; V1286-V1319 HydrophobicContact CG2-CG2 4.11Å; V1286-P1323 PolarHBondContact N-O 2.86Å; V1286-P1323 VanDerWaalsContact N-O 3.07Å; V1286-P1323 WeakPolarHBondContact O-CB 3.49Å; V1286-F1325 HydrophobicContact CG1-CZ 4.43Å; V1286-V1350 HydrophobicContact CG1-CG1 4.37Å; V1286-E1502 CarbonylContact C-O 3.51Å; V1286-E1502 VanDerWaalsContact CA-O 3.29Å; V1286-E1502 WeakPolarHBondContact CA-O 3.35Å |
| 1287 | R | 92.3 | Very high | 89.6 | Confident | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.038 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 161.5 | 179.6 | -52.8 | -69.6 | 176.3 | -94.1 | -1.6 | 110 | M1289 P1323 N1324 E1502 K1504 E1626 | R1287-M1289 PolarHBondContact O-N 3.38Å; R1287-P1323 PolarHBondContact NH1-O 3.48Å; R1287-N1324 PolarHBondContact NH1-OD1 3.03Å; R1287-N1324 PolarHBondContact NH2-OD1 2.99Å; R1287-E1502 HydrophobicContact CB-CB 3.89Å; R1287-E1502 PolarHBondContact N-O 2.89Å; R1287-E1502 PolarHBondContact O-N 2.64Å; R1287-K1504 HydrophobicContact CG-CD 4.21Å; R1287-K1504 HydrophobicContact CG-CG 4.21Å; R1287-E1626 IonicContact CZ-OE1 2.68Å; R1287-E1626 IonicContact CZ-OE2 3.41Å; R1287-E1626 IonicContact NE-OE1 2.77Å; R1287-E1626 IonicContact NE-OE2 2.78Å; R1287-E1626 PolarHBondContact NE-OE2 3.35Å; R1287-E1626 VanDerWaalsContact NH2-CD 3.3Å; R1287-E1626 IonicContact NH2-OE1 3.13Å; R1287-E1626 PolarHBondContact NH2-OE1 3.04Å; R1287-E1626 IonicContact NH2-OE2 3.54Å; R1287-E1626 PolarHBondContact NH2-OE2 2.77Å; R1287-E1626 VanDerWaalsContact NH2-OE2 3.14Å |
| 1288 | A | 87.6 | Confident | 89.6 | Confident | 48 Ų | 48 | 41.1 Ų | 41.1 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 48.1 | 24.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | R1290 Y1499 | A1288-R1290 PolarHBondContact O-N 3.09Å; A1288-R1290 VanDerWaalsContact O-N 3.12Å; A1288-Y1499 HydrophobicContact CB-CE1 4.48Å; A1288-Y1499 WeakPolarHBondContact CB-OH 3.44Å |
| 1289 | M | 90.7 | Very high | 89.7 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 16% | 0.163 | 22% | 0.22 | C | C | . | . | trans | -61.9 | 115.2 | -173.8 | -64.3 | -58.1 | -60.4 | 0 | 0 | 111.9 | V1286 R1287 V1297 V1350 V1362 L1486 | V1286-M1289 HydrophobicContact CB-CG 4.04Å; V1286-M1289 HydrophobicContact CB-SD 4.07Å; V1286-M1289 HydrophobicContact CG2-CG 3.96Å; R1287-M1289 PolarHBondContact O-N 3.38Å; M1289-V1297 HydrophobicContact CB-CB 4.05Å; M1289-V1297 HydrophobicContact CB-CG1 4.35Å; M1289-V1297 HydrophobicContact CB-CG2 4.41Å; M1289-V1297 HydrophobicContact CE-CG1 4.38Å; M1289-V1297 HydrophobicContact CE-CG2 4.3Å; M1289-V1297 HydrophobicContact CG-CG1 4.41Å; M1289-V1350 HydrophobicContact CE-CG1 4.04Å; M1289-V1362 HydrophobicContact CE-CG2 3.72Å; M1289-L1486 HydrophobicContact CE-CD1 4.1Å; M1289-L1486 HydrophobicContact SD-CD1 3.77Å | ||
| 1290 | R | 87.5 | Confident | 89.8 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 36% | 0.362 | 22% | 0.22 | S | C | . | . | trans | -72.6 | 164.3 | 177.9 | -66.7 | -163.8 | -179.1 | 164.3 | -5.7 | 111.7 | A1288 D1497 Y1499 A1500 | A1288-R1290 PolarHBondContact O-N 3.09Å; A1288-R1290 VanDerWaalsContact O-N 3.12Å; R1290-D1497 IonicContact CZ-OD2 2.72Å; R1290-D1497 VanDerWaalsContact NH1-CG 3.28Å; R1290-D1497 IonicContact NH1-OD1 2.65Å; R1290-D1497 IonicContact NH1-OD2 3.06Å; R1290-D1497 PolarHBondContact NH1-OD2 3.08Å; R1290-D1497 IonicContact NH2-OD2 2.89Å; R1290-D1497 PolarHBondContact NH2-OD2 3.4Å; R1290-Y1499 WeakPolarHBondContact CD-O 3.44Å; R1290-Y1499 HydrophobicContact CG-CD1 4.14Å; R1290-Y1499 HydrophobicContact CG-CE1 4.32Å; R1290-Y1499 PolarHBondContact NH1-O 3.36Å; R1290-A1500 PolarHBondContact N-O 3.2Å | ||
| 1291 | K | 86.4 | Confident | 89.9 | Confident | 126 Ų | 126 | 42.2 Ų | 42.2 | 55% | 0.548 | 22% | 0.22 | S | C | . | . | trans | -65.5 | 134.2 | 173.1 | -65.8 | 177.9 | -179.4 | 177.3 | 0 | 110.2 | A1295 R1488 | K1291-A1295 CarbonylContact C-O 3.6Å; K1291-A1295 VanDerWaalsContact CA-O 3.3Å; K1291-A1295 WeakPolarHBondContact CA-O 3.22Å; K1291-R1488 PolarHBondContact O-NH2 3.07Å | ||
| 1292 | Y | 81.4 | Confident | 90 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 17% | 0.169 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -116 | 121.1 | 174.7 | 178.7 | -89.2 | 0 | 0 | 0 | 109.9 | A1295 R1354 P1360 M1361 V1362 | Y1292-A1295 PolarHBondContact N-O 2.84Å; Y1292-A1295 PolarHBondContact O-N 2.79Å; Y1292-R1354 PolarHBondContact O-NH1 2.71Å; Y1292-R1354 PolarHBondContact O-NH2 3.15Å; Y1292-R1354 VanDerWaalsContact O-NH2 3.07Å; Y1292-P1360 HydrophobicContact CD1-CB 4.22Å; Y1292-P1360 HydrophobicContact CE1-CB 3.69Å; Y1292-P1360 HydrophobicContact CE1-CG 4.42Å; Y1292-M1361 WeakPolarHBondContact CE2-O 3.47Å; Y1292-V1362 HydrophobicContact CD1-CG1 3.92Å; Y1292-V1362 HydrophobicContact CD2-CB 4.34Å; Y1292-V1362 HydrophobicContact CD2-CG1 4.29Å; Y1292-V1362 HydrophobicContact CG-CB 4.18Å; Y1292-V1362 HydrophobicContact CG-CG1 3.74Å |
| 1293 | K | 80.4 | Confident | 90 | Very high | 154 Ų | 154 | 43.7 Ų | 43.7 | 67% | 0.67 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 55.8 | -170 | -63.8 | -178 | 179.9 | 177.8 | 0 | 111.4 | A1295 | K1293-A1295 PolarHBondContact O-N 2.92Š|
| 1294 | L | 79.7 | Confident | 89.9 | Confident | 167 Ų | 167 | 43.7 Ų | 43.7 | 87% | 0.874 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -12.2 | -177.1 | -59.4 | 172.1 | 0 | 0 | 0 | 117.1 | ||
| 1295 | A | 85 | Confident | 89.7 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -91.5 | 141 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1291 Y1292 K1293 | K1291-A1295 CarbonylContact C-O 3.6Å; K1291-A1295 VanDerWaalsContact CA-O 3.3Å; K1291-A1295 WeakPolarHBondContact CA-O 3.22Å; Y1292-A1295 PolarHBondContact N-O 2.84Å; Y1292-A1295 PolarHBondContact O-N 2.79Å; K1293-A1295 PolarHBondContact O-N 2.92Å |
| 1296 | S | 87.9 | Confident | 89.4 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 47% | 0.469 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 137 | 172.8 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1297 | V | 89.6 | Confident | 88.7 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 128.7 | 168.4 | 177.8 | 0 | 0 | 0 | 0 | 109 | M1289 P1300 D1352 V1362 | M1289-V1297 HydrophobicContact CB-CB 4.05Å; M1289-V1297 HydrophobicContact CB-CG1 4.35Å; M1289-V1297 HydrophobicContact CB-CG2 4.41Å; M1289-V1297 HydrophobicContact CE-CG1 4.38Å; M1289-V1297 HydrophobicContact CE-CG2 4.3Å; M1289-V1297 HydrophobicContact CG-CG1 4.41Å; V1297-P1300 HydrophobicContact CG1-CB 4.02Å; V1297-P1300 HydrophobicContact CG1-CG 4.1Å; V1297-D1352 HydrophobicContact CG1-CB 4.06Å; V1297-D1352 HydrophobicContact CG2-CB 4.37Å; V1297-V1362 HydrophobicContact CG1-CG2 4.46Å; V1297-V1362 HydrophobicContact CG2-CB 4.02Å; V1297-V1362 HydrophobicContact CG2-CG1 4.04Å; V1297-V1362 HydrophobicContact CG2-CG2 3.92Å |
| 1298 | N | 92 | Very high | 87.9 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | trans | -134.9 | -28.7 | -179.5 | 174.9 | 82 | 0 | 0 | 0 | 113.5 | S1318 V1319 D1352 | N1298-S1318 VanDerWaalsContact O-CA 3.31Å; N1298-S1318 WeakPolarHBondContact O-CA 3.34Å; N1298-S1318 PolarHBondContact OD1-OG 3.23Å; N1298-V1319 PolarHBondContact O-N 2.76Å; N1298-D1352 PolarHBondContact N-OD1 3.47Å | ||
| 1299 | S | 94 | Very high | 87.8 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -129.1 | 62.7 | -176.5 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | I1316 K1317 D1352 H1353 | S1299-I1316 WeakPolarHBondContact CA-O 3.43Å; S1299-K1317 PolarHBondContact OG-O 2.86Å; S1299-D1352 PolarHBondContact N-OD1 3.16Å; S1299-H1353 WeakPolarHBondContact O-CB 3.41Å; S1299-H1353 PolarHBondContact O-CD2 3.04Å; S1299-H1353 PolarHBondContact O-N 3.16Å |
| 1300 | P | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 152.8 | -175.7 | 31.3 | -34.2 | 0 | 0 | 0 | 114.1 | V1286 V1297 I1316 V1319 V1350 R1351 | V1286-P1300 HydrophobicContact CG2-CG 3.78Å; V1297-P1300 HydrophobicContact CG1-CB 4.02Å; V1297-P1300 HydrophobicContact CG1-CG 4.1Å; P1300-I1316 HydrophobicContact CG-CB 4.21Å; P1300-I1316 HydrophobicContact CG-CD1 4.18Å; P1300-I1316 PolarHBondContact O-N 3.28Å; P1300-V1319 HydrophobicContact CG-CG2 3.5Å; P1300-V1319 VanDerWaalsContact CG-CG2 3.5Å; P1300-V1350 HydrophobicContact CB-CG1 3.86Å; P1300-R1351 CarbonylContact C-O 3.59Å; P1300-R1351 WeakPolarHBondContact CA-O 3.21Å |
| 1301 | S | 95.3 | Very high | 88 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 158 | 156.7 | 63.8 | 0 | 0 | 0 | 0 | 109.4 | R1351 H1353 | S1301-R1351 PolarHBondContact N-O 2.86Å; S1301-R1351 PolarHBondContact O-N 3.3Å; S1301-H1353 PolarHBondContact OG-NE2 2.8Å |
| 1302 | V | 95.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.3 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | V1286 F1304 E1312 S1313 F1325 I1348 C1349 V1350 F1503 | V1286-V1302 HydrophobicContact CG1-CG2 4.25Å; V1302-F1304 HydrophobicContact CB-CE2 4.02Å; V1302-F1304 HydrophobicContact CB-CZ 4.26Å; V1302-F1304 HydrophobicContact CG1-CD1 4.49Å; V1302-F1304 HydrophobicContact CG1-CD2 4.06Å; V1302-F1304 HydrophobicContact CG1-CE1 3.99Å; V1302-F1304 HydrophobicContact CG1-CE2 3.51Å; V1302-F1304 HydrophobicContact CG1-CZ 3.46Å; V1302-F1304 VanDerWaalsContact CG1-CZ 3.46Å; V1302-E1312 CarbonylContact O-C 3.57Å; V1302-E1312 WeakPolarHBondContact O-CA 3.5Å; V1302-S1313 PolarHBondContact N-OG 2.77Å; V1302-S1313 PolarHBondContact O-N 2.82Å; V1302-S1313 PolarHBondContact O-OG 3.09Å; V1302-F1325 HydrophobicContact CB-CZ 4.37Å; V1302-F1325 HydrophobicContact CG2-CE2 3.79Å; V1302-F1325 HydrophobicContact CG2-CZ 3.58Å; V1302-I1348 HydrophobicContact CG1-CG2 3.71Å; V1302-C1349 CarbonylContact C-O 3.48Å; V1302-C1349 WeakPolarHBondContact CA-O 3.44Å; V1302-V1350 HydrophobicContact CG2-CG2 4.17Å; V1302-F1503 HydrophobicContact CG1-CD2 4.47Å; V1302-F1503 HydrophobicContact CG1-CE2 4.48Å; V1302-F1503 HydrophobicContact CG2-CD2 3.96Å; V1302-F1503 HydrophobicContact CG2-CE2 4.27Å |
| 1303 | E | 93.3 | Very high | 88.9 | Confident | 31 Ų | 31 | 49 Ų | 49 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.9 | 176.7 | -177.5 | 179.8 | -172.7 | 0 | 0 | 107.5 | V1310 E1312 C1349 R1351 | E1303-V1310 HydrophobicContact CG-CG1 3.43Å; E1303-V1310 VanDerWaalsContact CG-CG1 3.43Å; E1303-E1312 HydrophobicContact CB-CG 4.37Å; E1303-E1312 HydrophobicContact CG-CG 4.23Å; E1303-C1349 HydrophobicContact CB-CB 4.2Å; E1303-C1349 PolarHBondContact N-O 3.5Å; E1303-C1349 PolarHBondContact O-N 3.03Å; E1303-R1351 IonicContact OE1-NH2 3.15Å; E1303-R1351 IonicContact OE2-CZ 3.15Å; E1303-R1351 IonicContact OE2-NE 2.69Å; E1303-R1351 PolarHBondContact OE2-NE 2.72Å; E1303-R1351 IonicContact OE2-NH2 2.71Å; E1303-R1351 PolarHBondContact OE2-NH2 3.45Å |
| 1304 | F | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.6 | 175.3 | -58.1 | -93.5 | 0 | 0 | 0 | 108.8 | I1281 C1283 V1302 V1310 V1311 L1330 M1346 N1347 I1348 F1503 F1507 | I1281-F1304 HydrophobicContact CD1-CB 3.93Å; I1281-F1304 HydrophobicContact CD1-CD1 4.15Å; I1281-F1304 HydrophobicContact CD1-CD2 4.04Å; I1281-F1304 HydrophobicContact CD1-CG 3.78Å; I1281-F1304 HydrophobicContact CG2-CD1 4.32Å; I1281-F1304 HydrophobicContact CG2-CD2 4.46Å; I1281-F1304 HydrophobicContact CG2-CE1 3.89Å; I1281-F1304 HydrophobicContact CG2-CE2 4.04Å; I1281-F1304 HydrophobicContact CG2-CZ 3.73Å; C1283-F1304 HydrophobicContact CB-CE2 3.84Å; C1283-F1304 HydrophobicContact CB-CZ 3.87Å; C1283-F1304 VanDerWaalsContact SG-CE2 3.59Å; V1302-F1304 HydrophobicContact CB-CE2 4.02Å; V1302-F1304 HydrophobicContact CB-CZ 4.26Å; V1302-F1304 HydrophobicContact CG1-CD1 4.49Å; V1302-F1304 HydrophobicContact CG1-CD2 4.06Å; V1302-F1304 HydrophobicContact CG1-CE1 3.99Å; V1302-F1304 HydrophobicContact CG1-CE2 3.51Å; V1302-F1304 HydrophobicContact CG1-CZ 3.46Å; V1302-F1304 VanDerWaalsContact CG1-CZ 3.46Å; F1304-V1310 CarbonylContact O-C 3.44Å; F1304-V1310 VanDerWaalsContact O-CA 3.29Å; F1304-V1310 WeakPolarHBondContact O-CA 3.29Å; F1304-V1311 HydrophobicContact CB-CG1 3.99Å; F1304-V1311 HydrophobicContact CD2-CG1 4.21Å; F1304-V1311 PolarHBondContact N-O 2.88Å; F1304-V1311 PolarHBondContact O-N 2.83Å; F1304-L1330 HydrophobicContact CD2-CD1 3.95Å; F1304-L1330 HydrophobicContact CE2-CD1 3.79Å; F1304-M1346 HydrophobicContact CD1-SD 4.34Å; F1304-N1347 WeakPolarHBondContact CA-O 3.31Å; F1304-I1348 HydrophobicContact CD1-CG1 4.07Å; F1304-I1348 HydrophobicContact CD1-CG2 4.29Å; F1304-I1348 HydrophobicContact CE1-CD1 4.46Å; F1304-I1348 HydrophobicContact CE1-CG1 4.26Å; F1304-I1348 HydrophobicContact CE1-CG2 3.95Å; F1304-F1503 AromaticContact CE1-CE1 3.79Å; F1304-F1503 HydrophobicContact CE1-CE1 3.79Å; F1304-F1503 AromaticContact CE1-CZ 3.72Å; F1304-F1503 HydrophobicContact CE1-CZ 3.72Å; F1304-F1503 HydrophobicContact CZ-CE1 4Å; F1304-F1503 AromaticContact CZ-CE2 3.92Å; F1304-F1503 HydrophobicContact CZ-CE2 3.92Å; F1304-F1503 AromaticContact CZ-CZ 3.44Å; F1304-F1503 HydrophobicContact CZ-CZ 3.44Å; F1304-F1503 VanDerWaalsContact CZ-CZ 3.44Å; F1304-F1507 AromaticContact CD1-CE1 3.97Å; F1304-F1507 HydrophobicContact CD1-CE1 3.97Å; F1304-F1507 HydrophobicContact CD1-CZ 4.23Å; F1304-F1507 AromaticContact CE1-CE1 3.86Å; F1304-F1507 HydrophobicContact CE1-CE1 3.86Å; F1304-F1507 AromaticContact CE1-CZ 3.94Å; F1304-F1507 HydrophobicContact CE1-CZ 3.94Å |
| 1305 | E | 89.5 | Confident | 90.2 | Very high | 69 Ų | 69 | 40.5 Ų | 40.5 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.7 | 178 | 178.3 | -169.7 | -154 | 0 | 0 | 110 | K1309 V1310 M1346 N1347 | E1305-K1309 WeakPolarHBondContact CA-O 3.45Å; E1305-V1310 HydrophobicContact CB-CG2 4.11Å; E1305-V1310 HydrophobicContact CG-CG2 4.01Å; E1305-M1346 CarbonylContact O-C 3.56Å; E1305-M1346 VanDerWaalsContact O-CA 3.31Å; E1305-M1346 WeakPolarHBondContact O-CA 3.48Å; E1305-N1347 HydrophobicContact CB-CB 4.26Å; E1305-N1347 PolarHBondContact N-O 2.59Å; E1305-N1347 PolarHBondContact O-N 3.24Å; E1305-N1347 PolarHBondContact OE2-ND2 3.5Å |
| 1306 | I | 87.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 135.3 | 170.2 | -173.2 | 178.3 | 0 | 0 | 0 | 109.6 | I1279 G1308 K1309 L1332 L1336 P1344 M1346 F1370 | I1279-I1306 HydrophobicContact CD1-CD1 4.05Å; I1279-I1306 HydrophobicContact CD1-CG2 3.6Å; I1306-G1308 PolarHBondContact O-N 2.82Å; I1306-K1309 PolarHBondContact N-O 2.85Å; I1306-K1309 VanDerWaalsContact N-O 3.07Å; I1306-K1309 PolarHBondContact O-N 3.33Å; I1306-L1332 HydrophobicContact CG2-CD1 3.85Å; I1306-L1336 HydrophobicContact CD1-CD1 4.13Å; I1306-L1336 HydrophobicContact CD1-CD2 3.91Å; I1306-L1336 HydrophobicContact CG1-CD2 4.04Å; I1306-P1344 HydrophobicContact CG1-CG 4.03Å; I1306-M1346 HydrophobicContact CB-CB 4.13Å; I1306-M1346 HydrophobicContact CB-CG 4.19Å; I1306-M1346 HydrophobicContact CD1-CB 4.25Å; I1306-M1346 HydrophobicContact CG1-CB 4.41Å; I1306-F1370 HydrophobicContact CD1-CE1 3.93Å; I1306-F1370 HydrophobicContact CD1-CZ 3.75Å |
| 1307 | G | 78.6 | Confident | 90.6 | Very high | 37 Ų | 37 | 45 Ų | 45 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | K1309 | G1307-K1309 PolarHBondContact O-N 2.94Š|
| 1308 | G | 75.6 | Confident | 90.6 | Very high | 63 Ų | 63 | 45.5 Ų | 45.5 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 5.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1306 | I1306-G1308 PolarHBondContact O-N 2.82Š|
| 1309 | K | 86.3 | Confident | 90.4 | Very high | 101 Ų | 101 | 44 Ų | 44 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.3 | 169 | -71.5 | -164.2 | 179.1 | -174.2 | 0 | 110.2 | E1305 I1306 G1307 L1332 D1333 V1334 | E1305-K1309 WeakPolarHBondContact CA-O 3.45Å; I1306-K1309 PolarHBondContact N-O 2.85Å; I1306-K1309 VanDerWaalsContact N-O 3.07Å; I1306-K1309 PolarHBondContact O-N 3.33Å; G1307-K1309 PolarHBondContact O-N 2.94Å; K1309-L1332 HydrophobicContact CB-CD2 4.15Å; K1309-D1333 WeakPolarHBondContact CD-O 3.41Å; K1309-D1333 PolarHBondContact NZ-O 2.95Å; K1309-V1334 HydrophobicContact CB-CG1 4.16Å; K1309-V1334 HydrophobicContact CD-CB 4Å; K1309-V1334 HydrophobicContact CD-CG1 3.91Å; K1309-V1334 HydrophobicContact CG-CG1 4.48Å |
| 1310 | V | 88.6 | Confident | 90.1 | 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 | -111.9 | 137 | 178.8 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | E1303 F1304 E1305 | E1303-V1310 HydrophobicContact CG-CG1 3.43Å; E1303-V1310 VanDerWaalsContact CG-CG1 3.43Å; F1304-V1310 CarbonylContact O-C 3.44Å; F1304-V1310 VanDerWaalsContact O-CA 3.29Å; F1304-V1310 WeakPolarHBondContact O-CA 3.29Å; E1305-V1310 HydrophobicContact CB-CG2 4.11Å; E1305-V1310 HydrophobicContact CG-CG2 4.01Å |
| 1311 | V | 92.6 | Very high | 89.8 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131 | 163.3 | 68.1 | 0 | 0 | 0 | 0 | 110.1 | I1281 F1304 L1330 L1332 | I1281-V1311 HydrophobicContact CD1-CG1 3.79Å; F1304-V1311 HydrophobicContact CB-CG1 3.99Å; F1304-V1311 HydrophobicContact CD2-CG1 4.21Å; F1304-V1311 PolarHBondContact N-O 2.88Å; F1304-V1311 PolarHBondContact O-N 2.83Å; V1311-L1330 HydrophobicContact CG1-CB 4.35Å; V1311-L1330 HydrophobicContact CG1-CD1 4.19Å; V1311-L1330 HydrophobicContact CG2-CB 4.18Å; V1311-L1330 HydrophobicContact CG2-CD1 4.26Å; V1311-L1330 HydrophobicContact CG2-CD2 4.38Å; V1311-L1332 HydrophobicContact CB-CD2 3.87Å; V1311-L1332 HydrophobicContact CB-CG 4.17Å; V1311-L1332 HydrophobicContact CG1-CD1 3.92Å; V1311-L1332 HydrophobicContact CG1-CD2 3.94Å; V1311-L1332 HydrophobicContact CG1-CG 3.68Å |
| 1312 | E | 92.7 | Very high | 89.7 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141.9 | 176.3 | -66.5 | -173.2 | 171.6 | 0 | 0 | 110.7 | V1302 E1303 | V1302-E1312 CarbonylContact O-C 3.57Å; V1302-E1312 WeakPolarHBondContact O-CA 3.5Å; E1303-E1312 HydrophobicContact CB-CG 4.37Å; E1303-E1312 HydrophobicContact CG-CG 4.23Å |
| 1313 | S | 94.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 161.1 | 169.3 | 76.7 | 0 | 0 | 0 | 0 | 112.1 | C1283 V1302 F1325 | C1283-S1313 VanDerWaalsContact SG-CB 3.6Å; V1302-S1313 PolarHBondContact N-OG 2.77Å; V1302-S1313 PolarHBondContact O-N 2.82Å; V1302-S1313 PolarHBondContact O-OG 3.09Å; S1313-F1325 WeakPolarHBondContact OG-CD1 3.07Å; S1313-F1325 WeakPolarHBondContact OG-CE1 3.27Å; S1313-F1325 WeakPolarHBondContact OG-CZ 3.47Å |
| 1314 | T | 93.5 | Very high | 89.6 | Confident | 56 Ų | 56 | 59 Ų | 59 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 149.7 | 170.5 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | I1316 F1325 | T1314-I1316 PolarHBondContact O-N 2.83Å; T1314-F1325 WeakPolarHBondContact O-CD1 3.46Å; T1314-F1325 WeakPolarHBondContact O-CE1 3.25Å |
| 1315 | I | 92.8 | Very high | 89.6 | Confident | 85 Ų | 85 | 59 Ų | 59 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 128.4 | 176.5 | -55.9 | 168 | 0 | 0 | 0 | 110.7 | K1317 H1353 | I1315-K1317 PolarHBondContact O-N 2.98Å; I1315-H1353 HydrophobicContact CG2-CB 4.4Å |
| 1316 | I | 92.1 | Very high | 89.4 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 122.2 | 167.5 | -77.4 | 163.6 | 0 | 0 | 0 | 108.9 | V1286 S1299 P1300 T1314 S1318 V1319 N1322 P1323 N1324 F1325 | V1286-I1316 HydrophobicContact CG2-CD1 4.2Å; S1299-I1316 WeakPolarHBondContact CA-O 3.43Å; P1300-I1316 HydrophobicContact CG-CB 4.21Å; P1300-I1316 HydrophobicContact CG-CD1 4.18Å; P1300-I1316 PolarHBondContact O-N 3.28Å; T1314-I1316 PolarHBondContact O-N 2.83Å; I1316-S1318 PolarHBondContact O-N 2.93Å; I1316-V1319 HydrophobicContact CG2-CB 4.49Å; I1316-V1319 HydrophobicContact CG2-CG2 3.85Å; I1316-N1322 VanDerWaalsContact CG2-O 3.3Å; I1316-N1322 WeakPolarHBondContact CG2-O 3.39Å; I1316-P1323 WeakPolarHBondContact CD1-O 3.46Å; I1316-N1324 WeakPolarHBondContact CG1-O 3.47Å; I1316-F1325 HydrophobicContact CB-CE1 4.47Å; I1316-F1325 HydrophobicContact CD1-CD1 3.78Å; I1316-F1325 HydrophobicContact CD1-CD2 4.29Å; I1316-F1325 HydrophobicContact CD1-CE1 3.43Å; I1316-F1325 VanDerWaalsContact CD1-CE1 3.43Å; I1316-F1325 HydrophobicContact CD1-CE2 3.97Å; I1316-F1325 HydrophobicContact CD1-CG 4.21Å; I1316-F1325 HydrophobicContact CD1-CZ 3.52Å; I1316-F1325 HydrophobicContact CG1-CD1 3.57Å; I1316-F1325 HydrophobicContact CG1-CE1 3.51Å; I1316-F1325 HydrophobicContact CG1-CG 4.26Å; I1316-F1325 HydrophobicContact CG1-CZ 4.15Å |
| 1317 | K | 89.1 | Confident | 89.5 | Confident | 197 Ų | 197 | 62.8 Ų | 62.8 | 86% | 0.857 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -66 | -39.4 | -176.8 | -67.5 | 179.4 | -178.3 | 172.5 | 0 | 112.7 | S1299 I1315 | S1299-K1317 PolarHBondContact OG-O 2.86Å; I1315-K1317 PolarHBondContact O-N 2.98Å |
| 1318 | S | 89.5 | Confident | 90.1 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | trans | -161 | 114 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 110 | N1298 I1316 K1320 K1321 N1322 | N1298-S1318 VanDerWaalsContact O-CA 3.31Å; N1298-S1318 WeakPolarHBondContact O-CA 3.34Å; N1298-S1318 PolarHBondContact OD1-OG 3.23Å; I1316-S1318 PolarHBondContact O-N 2.93Å; S1318-K1320 PolarHBondContact O-N 3.37Å; S1318-K1320 VanDerWaalsContact O-N 3.15Å; S1318-K1321 PolarHBondContact O-N 2.83Å; S1318-N1322 PolarHBondContact O-N 3.41Å | ||
| 1319 | V | 89.1 | Confident | 90.8 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -36.8 | 178.6 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | V1286 N1298 P1300 I1316 K1321 N1322 P1323 | V1286-V1319 HydrophobicContact CG2-CG1 4.43Å; V1286-V1319 HydrophobicContact CG2-CG2 4.11Å; N1298-V1319 PolarHBondContact O-N 2.76Å; P1300-V1319 HydrophobicContact CG-CG2 3.5Å; P1300-V1319 VanDerWaalsContact CG-CG2 3.5Å; I1316-V1319 HydrophobicContact CG2-CB 4.49Å; I1316-V1319 HydrophobicContact CG2-CG2 3.85Å; V1319-K1321 VanDerWaalsContact C-N 3.26Å; V1319-K1321 PolarHBondContact O-N 2.75Å; V1319-N1322 CarbonylContact O-C 3.23Å; V1319-P1323 HydrophobicContact CG1-CB 3.94Å |
| 1320 | K | 87 | Confident | 91.2 | Very high | 161 Ų | 161 | 58.2 Ų | 58.2 | 70% | 0.7 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -20.1 | 178.7 | -64.4 | -172.1 | 176.3 | -171.8 | 0 | 114.6 | S1318 | S1318-K1320 PolarHBondContact O-N 3.37Å; S1318-K1320 VanDerWaalsContact O-N 3.15Å |
| 1321 | K | 88.9 | Confident | 91.3 | Very high | 167 Ų | 167 | 57 Ų | 57 | 73% | 0.726 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -41.3 | 179.4 | -71.5 | -169 | 174 | -171.5 | 0 | 112.7 | S1318 V1319 I1598 | S1318-K1321 PolarHBondContact O-N 2.83Å; V1319-K1321 VanDerWaalsContact C-N 3.26Å; V1319-K1321 PolarHBondContact O-N 2.75Å; K1321-I1598 WeakPolarHBondContact O-CD1 3.45Å |
| 1322 | N | 92.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 56 Ų | 56 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | trans | -150.5 | 115.1 | 168.5 | -174.9 | -4.1 | 0 | 0 | 0 | 107.6 | I1316 S1318 V1319 N1324 S1532 P1534 | I1316-N1322 VanDerWaalsContact CG2-O 3.3Å; I1316-N1322 WeakPolarHBondContact CG2-O 3.39Å; S1318-N1322 PolarHBondContact O-N 3.41Å; V1319-N1322 CarbonylContact O-C 3.23Å; N1322-N1324 PolarHBondContact O-N 2.81Å; N1322-N1324 VanDerWaalsContact OD1-CB 3.28Å; N1322-N1324 WeakPolarHBondContact OD1-CB 3.25Å; N1322-N1324 PolarHBondContact OD1-N 3.44Å; N1322-S1532 PolarHBondContact ND2-O 2.84Å; N1322-S1532 PolarHBondContact OD1-O 3.01Å; N1322-P1534 HydrophobicContact CB-CG 3.94Å | ||
| 1323 | P | 92.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | trans | -84.7 | 7 | 178 | 37.6 | -38.9 | 0 | 0 | 0 | 113.4 | G1285 V1286 R1287 I1316 V1319 P1597 | G1285-P1323 WeakPolarHBondContact CA-O 3.19Å; V1286-P1323 PolarHBondContact N-O 2.86Å; V1286-P1323 VanDerWaalsContact N-O 3.07Å; V1286-P1323 WeakPolarHBondContact O-CB 3.49Å; R1287-P1323 PolarHBondContact NH1-O 3.48Å; I1316-P1323 WeakPolarHBondContact CD1-O 3.46Å; V1319-P1323 HydrophobicContact CG1-CB 3.94Å; P1323-P1597 HydrophobicContact CG-CG 3.96Å | ||
| 1324 | N | 93.8 | Very high | 91 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -99.9 | 154.5 | 176.8 | -61.5 | -22.2 | 0 | 0 | 0 | 112.7 | W1284 R1287 I1316 N1322 S1532 | W1284-N1324 CarbonylContact O-C 3.17Å; W1284-N1324 VanDerWaalsContact O-CA 3.23Å; W1284-N1324 WeakPolarHBondContact O-CA 3.5Å; W1284-N1324 WeakPolarHBondContact O-CB 3.48Å; R1287-N1324 PolarHBondContact NH1-OD1 3.03Å; R1287-N1324 PolarHBondContact NH2-OD1 2.99Å; I1316-N1324 WeakPolarHBondContact CG1-O 3.47Å; N1322-N1324 PolarHBondContact O-N 2.81Å; N1322-N1324 VanDerWaalsContact OD1-CB 3.28Å; N1322-N1324 WeakPolarHBondContact OD1-CB 3.25Å; N1322-N1324 PolarHBondContact OD1-N 3.44Å; N1324-S1532 WeakPolarHBondContact CB-O 3.4Å; N1324-S1532 PolarHBondContact ND2-O 3.03Å |
| 1325 | F | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -77.5 | 138.2 | 175 | -66.1 | -70.5 | 0 | 0 | 0 | 111.8 | C1283 W1284 V1286 V1302 S1313 T1314 I1316 S1327 P1328 S1532 | C1283-F1325 VanDerWaalsContact O-CD2 3.31Å; C1283-F1325 WeakPolarHBondContact O-CD2 3.11Å; C1283-F1325 WeakPolarHBondContact SG-CD2 3.15Å; C1283-F1325 WeakPolarHBondContact SG-CE2 3.38Å; W1284-F1325 PolarHBondContact O-N 2.82Å; V1286-F1325 HydrophobicContact CG1-CZ 4.43Å; V1302-F1325 HydrophobicContact CB-CZ 4.37Å; V1302-F1325 HydrophobicContact CG2-CE2 3.79Å; V1302-F1325 HydrophobicContact CG2-CZ 3.58Å; S1313-F1325 WeakPolarHBondContact OG-CD1 3.07Å; S1313-F1325 WeakPolarHBondContact OG-CE1 3.27Å; S1313-F1325 WeakPolarHBondContact OG-CZ 3.47Å; T1314-F1325 WeakPolarHBondContact O-CD1 3.46Å; T1314-F1325 WeakPolarHBondContact O-CE1 3.25Å; I1316-F1325 HydrophobicContact CB-CE1 4.47Å; I1316-F1325 HydrophobicContact CD1-CD1 3.78Å; I1316-F1325 HydrophobicContact CD1-CD2 4.29Å; I1316-F1325 HydrophobicContact CD1-CE1 3.43Å; I1316-F1325 VanDerWaalsContact CD1-CE1 3.43Å; I1316-F1325 HydrophobicContact CD1-CE2 3.97Å; I1316-F1325 HydrophobicContact CD1-CG 4.21Å; I1316-F1325 HydrophobicContact CD1-CZ 3.52Å; I1316-F1325 HydrophobicContact CG1-CD1 3.57Å; I1316-F1325 HydrophobicContact CG1-CE1 3.51Å; I1316-F1325 HydrophobicContact CG1-CG 4.26Å; I1316-F1325 HydrophobicContact CG1-CZ 4.15Å; F1325-S1327 VanDerWaalsContact C-N 3.25Å; F1325-S1327 PolarHBondContact O-N 2.85Å; F1325-P1328 HydrophobicContact CB-CB 4.42Å; F1325-S1532 PolarHBondContact O-OG 3.5Å | ||
| 1326 | A | 87.1 | Confident | 90.5 | Very high | 80 Ų | 80 | 52 Ų | 52 | 66% | 0.661 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -72.2 | -20.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1327 | S | 88.7 | Confident | 90.2 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -135.9 | 82.6 | 171.8 | -59.1 | 0 | 0 | 0 | 0 | 108 | F1325 L1329 | F1325-S1327 VanDerWaalsContact C-N 3.25Å; F1325-S1327 PolarHBondContact O-N 2.85Å; S1327-L1329 VanDerWaalsContact C-N 3.28Å; S1327-L1329 PolarHBondContact O-N 2.85Å |
| 1328 | P | 90.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.078 | 25% | 0.254 | C | S | . | . | trans | -79 | -10.4 | -169.7 | 32.4 | -36.8 | 0 | 0 | 0 | 113.5 | L1282 C1283 W1284 F1325 L1528 | L1282-P1328 HydrophobicContact CD1-CB 4.21Å; L1282-P1328 HydrophobicContact CD1-CG 4.49Å; C1283-P1328 WeakPolarHBondContact CA-O 3.19Å; C1283-P1328 WeakPolarHBondContact CB-O 3.34Å; C1283-P1328 PolarHBondContact N-O 2.9Å; C1283-P1328 WeakPolarHBondContact O-CA 3.48Å; C1283-P1328 WeakPolarHBondContact O-CB 2.94Å; W1284-P1328 HydrophobicContact CE3-CB 4.31Å; W1284-P1328 HydrophobicContact CE3-CG 4.4Å; W1284-P1328 HydrophobicContact CZ3-CG 4.49Å; F1325-P1328 HydrophobicContact CB-CB 4.42Å; P1328-L1528 HydrophobicContact CG-CD1 3.82Å | ||
| 1329 | L | 91.8 | Very high | 89.1 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 111.3 | -176 | -57.7 | -177 | 0 | 0 | 0 | 110.7 | L1282 S1327 F1525 L1528 | L1282-L1329 HydrophobicContact CD1-CD2 3.68Å; S1327-L1329 VanDerWaalsContact C-N 3.28Å; S1327-L1329 PolarHBondContact O-N 2.85Å; L1329-F1525 HydrophobicContact CD1-CB 4.36Å; L1329-F1525 WeakPolarHBondContact CD1-O 3.35Å; L1329-F1525 HydrophobicContact CD2-CB 3.64Å; L1329-F1525 HydrophobicContact CD2-CD2 4.48Å; L1329-F1525 HydrophobicContact CD2-CG 4.23Å; L1329-L1528 HydrophobicContact CD1-CD1 4.36Å; L1329-L1528 HydrophobicContact CD1-CG 4.26Å; L1329-L1528 HydrophobicContact CD2-CD1 3.92Å; L1329-L1528 HydrophobicContact CD2-CD2 4.29Å; L1329-L1528 HydrophobicContact CD2-CG 4.13Å; L1329-L1528 HydrophobicContact CG-CD1 4.15Å; L1329-L1528 HydrophobicContact CG-CG 4.49Å |
| 1330 | L | 93.2 | Very high | 88.2 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 157.5 | 174.2 | -46.7 | 171.5 | 0 | 0 | 0 | 109.7 | I1281 C1283 F1304 V1311 | I1281-L1330 HydrophobicContact CB-CB 4.14Å; I1281-L1330 HydrophobicContact CD1-CB 4.5Å; I1281-L1330 PolarHBondContact N-O 3.1Å; I1281-L1330 PolarHBondContact O-N 2.56Å; C1283-L1330 HydrophobicContact CB-CD1 3.99Å; C1283-L1330 HydrophobicContact CB-CG 4.4Å; F1304-L1330 HydrophobicContact CD2-CD1 3.95Å; F1304-L1330 HydrophobicContact CE2-CD1 3.79Å; V1311-L1330 HydrophobicContact CG1-CB 4.35Å; V1311-L1330 HydrophobicContact CG1-CD1 4.19Å; V1311-L1330 HydrophobicContact CG2-CB 4.18Å; V1311-L1330 HydrophobicContact CG2-CD1 4.26Å; V1311-L1330 HydrophobicContact CG2-CD2 4.38Å |
| 1331 | F | 92.1 | Very high | 87.5 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 131.3 | 178.3 | -179.5 | -107 | 0 | 0 | 0 | 110.5 | I1279 E1280 D1333 L1512 R1523 | I1279-F1331 WeakPolarHBondContact O-CA 3.45Å; E1280-F1331 HydrophobicContact CG-CD2 3.7Å; E1280-F1331 HydrophobicContact CG-CE2 4.07Å; F1331-D1333 HydrophobicContact CE1-CB 3.99Å; F1331-L1512 HydrophobicContact CZ-CD1 4.12Å; F1331-R1523 VanDerWaalsContact CD1-NH2 3.27Å |
| 1332 | L | 91.6 | Very high | 87 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.2 | 176.4 | -86 | -179.8 | 0 | 0 | 0 | 108.8 | I1279 I1281 I1306 K1309 V1311 V1334 | I1279-L1332 HydrophobicContact CB-CB 4.07Å; I1279-L1332 PolarHBondContact N-O 2.84Å; I1279-L1332 PolarHBondContact O-N 2.68Å; I1281-L1332 HydrophobicContact CD1-CD1 4.06Å; I1281-L1332 HydrophobicContact CD1-CG 4.39Å; I1306-L1332 HydrophobicContact CG2-CD1 3.85Å; K1309-L1332 HydrophobicContact CB-CD2 4.15Å; V1311-L1332 HydrophobicContact CB-CD2 3.87Å; V1311-L1332 HydrophobicContact CB-CG 4.17Å; V1311-L1332 HydrophobicContact CG1-CD1 3.92Å; V1311-L1332 HydrophobicContact CG1-CD2 3.94Å; V1311-L1332 HydrophobicContact CG1-CG 3.68Å; L1332-V1334 HydrophobicContact CB-CG1 3.63Å; L1332-V1334 HydrophobicContact CD1-CG1 4.42Å; L1332-V1334 HydrophobicContact CD2-CG1 4.22Å; L1332-V1334 HydrophobicContact CG-CG1 4.32Å |
| 1333 | D | 90.8 | Very high | 86.3 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 104.5 | 166.3 | 179 | -16.1 | 0 | 0 | 0 | 106.8 | R1276 K1309 F1331 L1512 | R1276-D1333 VanDerWaalsContact CG-OD1 3.26Å; R1276-D1333 WeakPolarHBondContact CG-OD1 3.35Å; R1276-D1333 IonicContact CZ-OD1 2.72Å; R1276-D1333 IonicContact CZ-OD2 2.65Å; R1276-D1333 IonicContact NE-OD1 3.82Å; R1276-D1333 PolarHBondContact NE-OD1 3.46Å; R1276-D1333 IonicContact NE-OD2 3.24Å; R1276-D1333 PolarHBondContact NE-OD2 2.86Å; R1276-D1333 VanDerWaalsContact NE-OD2 3.09Å; R1276-D1333 IonicContact NH2-OD2 2.66Å; R1276-D1333 PolarHBondContact NH2-OD2 2.78Å; K1309-D1333 WeakPolarHBondContact CD-O 3.41Å; K1309-D1333 PolarHBondContact NZ-O 2.95Å; F1331-D1333 HydrophobicContact CE1-CB 3.99Å; D1333-L1512 HydrophobicContact CB-CD1 4.35Å |
| 1334 | V | 90.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.2 | -172.4 | -24.7 | 0 | 0 | 0 | 0 | 111.1 | T1277 I1279 K1309 L1332 L1336 | T1277-V1334 PolarHBondContact N-O 2.98Å; T1277-V1334 PolarHBondContact O-N 2.91Å; I1279-V1334 HydrophobicContact CD1-CG1 4.44Å; I1279-V1334 HydrophobicContact CD1-CG2 4.23Å; K1309-V1334 HydrophobicContact CB-CG1 4.16Å; K1309-V1334 HydrophobicContact CD-CB 4Å; K1309-V1334 HydrophobicContact CD-CG1 3.91Å; K1309-V1334 HydrophobicContact CG-CG1 4.48Å; L1332-V1334 HydrophobicContact CB-CG1 3.63Å; L1332-V1334 HydrophobicContact CD1-CG1 4.42Å; L1332-V1334 HydrophobicContact CD2-CG1 4.22Å; L1332-V1334 HydrophobicContact CG-CG1 4.32Å; V1334-L1336 HydrophobicContact CG2-CD1 4.19Å; V1334-L1336 HydrophobicContact CG2-CD2 3.44Å; V1334-L1336 VanDerWaalsContact CG2-CD2 3.44Å; V1334-L1336 HydrophobicContact CG2-CG 3.42Å; V1334-L1336 VanDerWaalsContact CG2-CG 3.42Å |
| 1335 | L | 89.1 | Confident | 85.2 | Confident | 105 Ų | 105 | 42.4 Ų | 42.4 | 55% | 0.55 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 111.4 | 171.7 | -69 | 171 | 0 | 0 | 0 | 108.1 | L1274 Q1275 R1276 | L1274-L1335 HydrophobicContact CB-CB 4.17Å; L1274-L1335 HydrophobicContact CD1-CB 4Å; Q1275-L1335 WeakPolarHBondContact O-CA 3.44Å; R1276-L1335 HydrophobicContact CB-CD2 4.12Å |
| 1336 | L | 87.9 | Confident | 85 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 151.6 | 175.3 | -65.8 | -174.4 | 0 | 0 | 0 | 110.8 | L1274 Q1275 T1277 I1279 I1306 V1334 L1343 P1344 | L1274-L1336 CarbonylContact C-O 3.13Å; L1274-L1336 WeakPolarHBondContact CA-O 3.37Å; Q1275-L1336 PolarHBondContact N-O 3.09Å; Q1275-L1336 PolarHBondContact O-N 3.38Å; T1277-L1336 HydrophobicContact CG2-CD1 4.02Å; I1279-L1336 HydrophobicContact CD1-CD1 4.13Å; I1306-L1336 HydrophobicContact CD1-CD1 4.13Å; I1306-L1336 HydrophobicContact CD1-CD2 3.91Å; I1306-L1336 HydrophobicContact CG1-CD2 4.04Å; V1334-L1336 HydrophobicContact CG2-CD1 4.19Å; V1334-L1336 HydrophobicContact CG2-CD2 3.44Å; V1334-L1336 VanDerWaalsContact CG2-CD2 3.44Å; V1334-L1336 HydrophobicContact CG2-CG 3.42Å; V1334-L1336 VanDerWaalsContact CG2-CG 3.42Å; L1336-L1343 HydrophobicContact CB-CD2 3.92Å; L1336-L1343 HydrophobicContact CD1-CD2 3.97Å; L1336-L1343 HydrophobicContact CG-CD2 4.43Å; L1336-P1344 HydrophobicContact CD2-CG 3.99Å |
| 1337 | P | 85.6 | Confident | 85 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 138.2 | 169.6 | -31 | 39.2 | 0 | 0 | 0 | 113.9 | P1272 L1274 E1339 | P1272-P1337 HydrophobicContact CB-CB 3.72Å; P1272-P1337 HydrophobicContact CB-CG 3.69Å; P1272-P1337 HydrophobicContact CG-CG 4.39Å; L1274-P1337 HydrophobicContact CD2-CG 3.94Å; P1337-E1339 VanDerWaalsContact C-N 3.32Å |
| 1338 | K | 80.2 | Confident | 85.1 | Confident | 105 Ų | 105 | 36 Ų | 36 | 46% | 0.457 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -63.8 | -38.9 | 169.5 | -72.8 | -174.2 | 176.6 | 178.8 | 0 | 111.7 | V1273 Q1275 | V1273-K1338 HydrophobicContact CG1-CD 4.01Å; V1273-K1338 PolarHBondContact O-N 3.15Å; Q1275-K1338 HydrophobicContact CB-CD 4.33Å; Q1275-K1338 HydrophobicContact CB-CG 3.61Å |
| 1339 | E | 75.2 | Confident | 85.1 | Confident | 95 Ų | 95 | 36.3 Ų | 36.3 | 44% | 0.444 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -84.7 | 124.2 | -179.3 | -71.3 | 166.9 | -130.5 | 0 | 0 | 110.9 | P1337 I1341 Y1342 | P1337-E1339 VanDerWaalsContact C-N 3.32Å; E1339-I1341 VanDerWaalsContact C-N 3.28Å; E1339-I1341 HydrophobicContact CB-CG1 4.3Å; E1339-I1341 PolarHBondContact O-N 3.29Å; E1339-Y1342 HydrophobicContact CB-CD2 3.77Å; E1339-Y1342 HydrophobicContact CB-CE2 4.17Å; E1339-Y1342 PolarHBondContact O-N 2.82Å; E1339-Y1342 VanDerWaalsContact O-N 3.07Å; E1339-Y1342 WeakPolarHBondContact OE2-CE2 3.45Å |
| 1340 | E | 70.7 | Confident | 85.2 | Confident | 78 Ų | 78 | 33.3 Ų | 33.3 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -58 | -38.1 | -175.1 | 177.5 | 135.2 | -121.9 | 0 | 0 | 113.5 | Y1342 L1343 K1374 | E1340-Y1342 PolarHBondContact O-N 2.9Å; E1340-L1343 HydrophobicContact CG-CD1 4.36Å; E1340-L1343 PolarHBondContact O-N 2.96Å; E1340-L1343 VanDerWaalsContact O-N 3.15Å; E1340-K1374 WeakPolarHBondContact OE1-CE 3.3Å; E1340-K1374 IonicContact OE1-NZ 2.67Å; E1340-K1374 PolarHBondContact OE1-NZ 2.88Å; E1340-K1374 IonicContact OE2-NZ 2.92Å; E1340-K1374 PolarHBondContact OE2-NZ 2.92Å |
| 1341 | I | 72.5 | Confident | 85.1 | Confident | 95 Ų | 95 | 35.1 Ų | 35.1 | 49% | 0.487 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -59.5 | -15.5 | 178.6 | 59.1 | 166.8 | 0 | 0 | 0 | 113.3 | W1226 E1339 | W1226-I1341 PolarHBondContact NE1-O 2.79Å; E1339-I1341 VanDerWaalsContact C-N 3.28Å; E1339-I1341 HydrophobicContact CB-CG1 4.3Å; E1339-I1341 PolarHBondContact O-N 3.29Å |
| 1342 | Y | 77.5 | Confident | 85.1 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -107.5 | -3.4 | -178.7 | -58.9 | -38.5 | 0 | 0 | 0 | 114.9 | Q1123 V1223 L1224 L1240 P1272 E1339 E1340 | Q1123-Y1342 PolarHBondContact NE2-O 3.2Å; V1223-Y1342 WeakPolarHBondContact CG1-OH 3.34Å; L1224-Y1342 HydrophobicContact CB-CD1 4.42Å; L1224-Y1342 HydrophobicContact CB-CE1 3.66Å; L1224-Y1342 PolarHBondContact N-OH 2.87Å; L1224-Y1342 WeakPolarHBondContact O-CE1 3.43Å; L1224-Y1342 PolarHBondContact O-OH 2.94Å; L1240-Y1342 HydrophobicContact CD1-CD1 4.01Å; L1240-Y1342 HydrophobicContact CD1-CE1 4.02Å; L1240-Y1342 HydrophobicContact CD2-CD1 3.68Å; L1240-Y1342 HydrophobicContact CD2-CE1 4.41Å; L1240-Y1342 HydrophobicContact CD2-CG 4.5Å; L1240-Y1342 HydrophobicContact CG-CD1 4.45Å; P1272-Y1342 HydrophobicContact CB-CD2 3.56Å; P1272-Y1342 HydrophobicContact CB-CE2 4.43Å; P1272-Y1342 HydrophobicContact CB-CG 3.87Å; P1272-Y1342 HydrophobicContact CG-CD1 4.31Å; P1272-Y1342 HydrophobicContact CG-CD2 3.66Å; P1272-Y1342 HydrophobicContact CG-CE2 4.38Å; P1272-Y1342 HydrophobicContact CG-CG 3.59Å; E1339-Y1342 HydrophobicContact CB-CD2 3.77Å; E1339-Y1342 HydrophobicContact CB-CE2 4.17Å; E1339-Y1342 PolarHBondContact O-N 2.82Å; E1339-Y1342 VanDerWaalsContact O-N 3.07Å; E1339-Y1342 WeakPolarHBondContact OE2-CE2 3.45Å; E1340-Y1342 PolarHBondContact O-N 2.9Å |
| 1343 | L | 78.8 | Confident | 85.1 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -54.5 | 123.2 | -178.8 | -72.8 | 172.2 | 0 | 0 | 0 | 110.7 | L1336 E1340 F1370 | L1336-L1343 HydrophobicContact CB-CD2 3.92Å; L1336-L1343 HydrophobicContact CD1-CD2 3.97Å; L1336-L1343 HydrophobicContact CG-CD2 4.43Å; E1340-L1343 HydrophobicContact CG-CD1 4.36Å; E1340-L1343 PolarHBondContact O-N 2.96Å; E1340-L1343 VanDerWaalsContact O-N 3.15Å; L1343-F1370 HydrophobicContact CB-CD2 3.93Å; L1343-F1370 HydrophobicContact CB-CE2 4.07Å; L1343-F1370 HydrophobicContact CD1-CB 4.1Å; L1343-F1370 HydrophobicContact CD1-CD2 3.92Å; L1343-F1370 HydrophobicContact CD1-CG 4.3Å |
| 1344 | P | 79.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 144.7 | 173.1 | 28.9 | -34 | 0 | 0 | 0 | 108.8 | I1161 I1306 L1336 F1370 | I1161-P1344 HydrophobicContact CD1-CB 4.38Å; I1306-P1344 HydrophobicContact CG1-CG 4.03Å; L1336-P1344 HydrophobicContact CD2-CG 3.99Å; P1344-F1370 VanDerWaalsContact O-CE2 3.23Å; P1344-F1370 WeakPolarHBondContact O-CE2 3.35Å; P1344-F1370 VanDerWaalsContact O-CZ 3.29Å; P1344-F1370 WeakPolarHBondContact O-CZ 3.18Å |
| 1345 | P | 83.8 | Confident | 84.6 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 158.7 | 175.1 | 31.1 | -37.1 | 0 | 0 | 0 | 111.2 | R1125 C1159 V1366 L1367 T1368 | R1125-P1345 HydrophobicContact CB-CG 3.92Å; C1159-P1345 HydrophobicContact CB-CG 3.48Å; C1159-P1345 VanDerWaalsContact CB-CG 3.48Å; C1159-P1345 WeakPolarHBondContact SG-CG 3.28Å; P1345-V1366 HydrophobicContact CB-CG1 3.8Å; P1345-V1366 HydrophobicContact CG-CG1 4.44Å; P1345-L1367 CarbonylContact C-O 3.58Å; P1345-L1367 WeakPolarHBondContact CA-O 3.41Å; P1345-L1367 WeakPolarHBondContact CB-O 3.49Å; P1345-T1368 HydrophobicContact CB-CG2 4.17Å |
| 1346 | M | 88.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.9 | 174.1 | 179.5 | 167.4 | 51 | 0 | 0 | 110.1 | F1304 E1305 I1306 I1348 L1367 F1370 F1507 | F1304-M1346 HydrophobicContact CD1-SD 4.34Å; E1305-M1346 CarbonylContact O-C 3.56Å; E1305-M1346 VanDerWaalsContact O-CA 3.31Å; E1305-M1346 WeakPolarHBondContact O-CA 3.48Å; I1306-M1346 HydrophobicContact CB-CB 4.13Å; I1306-M1346 HydrophobicContact CB-CG 4.19Å; I1306-M1346 HydrophobicContact CD1-CB 4.25Å; I1306-M1346 HydrophobicContact CG1-CB 4.41Å; M1346-I1348 HydrophobicContact CG-CG1 4.46Å; M1346-L1367 HydrophobicContact CB-CB 4.39Å; M1346-L1367 HydrophobicContact CE-CD2 3.69Å; M1346-L1367 PolarHBondContact N-O 2.92Å; M1346-L1367 PolarHBondContact O-N 3.43Å; M1346-F1370 HydrophobicContact CB-CE1 3.99Å; M1346-F1370 HydrophobicContact CB-CZ 3.98Å; M1346-F1370 HydrophobicContact CE-CE1 4.2Å; M1346-F1507 HydrophobicContact CE-CD1 3.67Å; M1346-F1507 HydrophobicContact CE-CD2 3.84Å; M1346-F1507 HydrophobicContact CE-CE1 3.32Å; M1346-F1507 HydrophobicContact CE-CE2 3.52Å; M1346-F1507 HydrophobicContact CE-CG 3.92Å; M1346-F1507 HydrophobicContact CE-CZ 3.25Å; M1346-F1507 HydrophobicContact SD-CD1 4.33Å; M1346-F1507 HydrophobicContact SD-CE1 3.85Å; M1346-F1507 HydrophobicContact SD-CZ 4.21Å |
| 1347 | N | 86.5 | Confident | 83.9 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.1 | 172.5 | -57.8 | -37 | 0 | 0 | 0 | 108.9 | F1304 E1305 | F1304-N1347 WeakPolarHBondContact CA-O 3.31Å; E1305-N1347 HydrophobicContact CB-CB 4.26Å; E1305-N1347 PolarHBondContact N-O 2.59Å; E1305-N1347 PolarHBondContact O-N 3.24Å; E1305-N1347 PolarHBondContact OE2-ND2 3.5Å |
| 1348 | I | 91.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 98.3 | 174.8 | -52.6 | 177.3 | 0 | 0 | 0 | 107 | V1302 F1304 M1346 V1364 H1365 F1484 F1503 F1507 | V1302-I1348 HydrophobicContact CG1-CG2 3.71Å; F1304-I1348 HydrophobicContact CD1-CG1 4.07Å; F1304-I1348 HydrophobicContact CD1-CG2 4.29Å; F1304-I1348 HydrophobicContact CE1-CD1 4.46Å; F1304-I1348 HydrophobicContact CE1-CG1 4.26Å; F1304-I1348 HydrophobicContact CE1-CG2 3.95Å; M1346-I1348 HydrophobicContact CG-CG1 4.46Å; I1348-V1364 CarbonylContact O-C 3.52Å; I1348-V1364 WeakPolarHBondContact O-CA 3.13Å; I1348-H1365 HydrophobicContact CB-CB 4.3Å; I1348-H1365 PolarHBondContact N-O 3.28Å; I1348-H1365 PolarHBondContact O-N 2.77Å; I1348-F1484 HydrophobicContact CD1-CG 4.39Å; I1348-F1503 HydrophobicContact CD1-CD1 4.19Å; I1348-F1503 HydrophobicContact CD1-CE1 4.28Å; I1348-F1503 HydrophobicContact CG2-CD1 3.73Å; I1348-F1503 HydrophobicContact CG2-CE1 4.18Å; I1348-F1503 HydrophobicContact CG2-CG 4.1Å; I1348-F1507 HydrophobicContact CD1-CE2 4.3Å; I1348-F1507 HydrophobicContact CD1-CZ 3.86Å |
| 1349 | C | 89.5 | Confident | 84 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.3 | -172.3 | -71.3 | 0 | 0 | 0 | 0 | 110.9 | V1302 E1303 | V1302-C1349 CarbonylContact C-O 3.48Å; V1302-C1349 WeakPolarHBondContact CA-O 3.44Å; E1303-C1349 HydrophobicContact CB-CB 4.2Å; E1303-C1349 PolarHBondContact N-O 3.5Å; E1303-C1349 PolarHBondContact O-N 3.03Å |
| 1350 | V | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.1 | 176.2 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | V1286 M1289 P1300 V1302 M1361 V1362 G1363 L1486 | V1286-V1350 HydrophobicContact CG1-CG1 4.37Å; M1289-V1350 HydrophobicContact CE-CG1 4.04Å; P1300-V1350 HydrophobicContact CB-CG1 3.86Å; V1302-V1350 HydrophobicContact CG2-CG2 4.17Å; V1350-M1361 CarbonylContact O-C 3.45Å; V1350-M1361 WeakPolarHBondContact O-CA 3.21Å; V1350-V1362 HydrophobicContact CB-CG2 4.1Å; V1350-V1362 HydrophobicContact CG1-CG2 3.84Å; V1350-V1362 WeakPolarHBondContact O-CG2 3.19Å; V1350-V1362 PolarHBondContact O-N 2.86Å; V1350-G1363 PolarHBondContact N-O 2.84Å; V1350-L1486 HydrophobicContact CB-CD1 4.35Å; V1350-L1486 HydrophobicContact CG2-CD1 3.5Å; V1350-L1486 HydrophobicContact CG2-CD2 3.86Å; V1350-L1486 HydrophobicContact CG2-CG 4.35Å |
| 1351 | R | 91.7 | Very high | 85.3 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.6 | 175.9 | -59.3 | -171.8 | -169.9 | -108.6 | 4.6 | 111.1 | P1300 S1301 E1303 P1360 M1361 | P1300-R1351 CarbonylContact C-O 3.59Å; P1300-R1351 WeakPolarHBondContact CA-O 3.21Å; S1301-R1351 PolarHBondContact N-O 2.86Å; S1301-R1351 PolarHBondContact O-N 3.3Å; E1303-R1351 IonicContact OE1-NH2 3.15Å; E1303-R1351 IonicContact OE2-CZ 3.15Å; E1303-R1351 IonicContact OE2-NE 2.69Å; E1303-R1351 PolarHBondContact OE2-NE 2.72Å; E1303-R1351 IonicContact OE2-NH2 2.71Å; E1303-R1351 PolarHBondContact OE2-NH2 3.45Å; R1351-P1360 VanDerWaalsContact CA-O 3.28Å; R1351-P1360 WeakPolarHBondContact CA-O 3.34Å; R1351-M1361 HydrophobicContact CG-CB 4.47Å |
| 1352 | D | 92.4 | Very high | 86 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 118.6 | 179 | -178.5 | 46.2 | 0 | 0 | 0 | 110.6 | V1297 N1298 S1299 R1354 P1360 V1362 | V1297-D1352 HydrophobicContact CG1-CB 4.06Å; V1297-D1352 HydrophobicContact CG2-CB 4.37Å; N1298-D1352 PolarHBondContact N-OD1 3.47Å; S1299-D1352 PolarHBondContact N-OD1 3.16Å; D1352-R1354 PolarHBondContact O-N 2.89Å; D1352-R1354 IonicContact OD2-CZ 3.77Å; D1352-R1354 IonicContact OD2-NE 3.23Å; D1352-R1354 PolarHBondContact OD2-NE 2.93Å; D1352-R1354 IonicContact OD2-NH2 3.78Å; D1352-R1354 PolarHBondContact OD2-NH2 3.15Å; D1352-P1360 PolarHBondContact N-O 2.9Å; D1352-P1360 VanDerWaalsContact O-CD 3.31Å; D1352-P1360 WeakPolarHBondContact O-CD 3.47Å; D1352-V1362 HydrophobicContact CB-CG1 3.65Å; D1352-V1362 HydrophobicContact CB-CG2 4.34Å |
| 1353 | H | 91.5 | Very high | 86.6 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 27% | 0.269 | 23% | 0.227 | S | C | . | . | trans | -83.7 | 108.2 | -177.8 | -67.8 | -108.7 | 0 | 0 | 0 | 110.6 | S1299 S1301 I1315 | S1299-H1353 WeakPolarHBondContact O-CB 3.41Å; S1299-H1353 PolarHBondContact O-CD2 3.04Å; S1299-H1353 PolarHBondContact O-N 3.16Å; S1301-H1353 PolarHBondContact OG-NE2 2.8Å; I1315-H1353 HydrophobicContact CG2-CB 4.4Å | ||
| 1354 | R | 87.4 | Confident | 87 | Confident | 58 Ų | 58 | 42 Ų | 42 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | trans | -106.3 | 172.5 | -175 | -62.9 | -179.9 | 177.7 | -169.6 | -4.3 | 112 | Y1292 D1352 Q1358 | Y1292-R1354 PolarHBondContact O-NH1 2.71Å; Y1292-R1354 PolarHBondContact O-NH2 3.15Å; Y1292-R1354 VanDerWaalsContact O-NH2 3.07Å; D1352-R1354 PolarHBondContact O-N 2.89Å; D1352-R1354 IonicContact OD2-CZ 3.77Å; D1352-R1354 IonicContact OD2-NE 3.23Å; D1352-R1354 PolarHBondContact OD2-NE 2.93Å; D1352-R1354 IonicContact OD2-NH2 3.78Å; D1352-R1354 PolarHBondContact OD2-NH2 3.15Å; R1354-Q1358 HydrophobicContact CB-CB 4.19Å; R1354-Q1358 PolarHBondContact N-O 2.87Å | ||
| 1355 | A | 82.8 | Confident | 87.4 | Confident | 70 Ų | 70 | 43.8 Ų | 43.8 | 58% | 0.579 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -56.2 | 155.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | G1357 | A1355-G1357 PolarHBondContact O-N 2.56Š|
| 1356 | F | 84.4 | Confident | 87.4 | Confident | 211 Ų | 211 | 44.9 Ų | 44.9 | 93% | 0.925 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | 59.4 | 21.5 | -178.2 | -47.7 | -77.2 | 0 | 0 | 0 | 115.1 | Q1358 | F1356-Q1358 VanDerWaalsContact C-N 3.34Å; F1356-Q1358 PolarHBondContact O-N 2.94Å |
| 1357 | G | 79.4 | Confident | 87.3 | Confident | 72 Ų | 72 | 45.7 Ų | 45.7 | 74% | 0.742 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | 79.1 | 10.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | A1355 K1359 | A1355-G1357 PolarHBondContact O-N 2.56Å; G1357-K1359 PolarHBondContact O-N 2.91Å |
| 1358 | Q | 81.6 | Confident | 86.9 | Confident | 125 Ų | 125 | 47.7 Ų | 47.7 | 58% | 0.584 | 26% | 0.256 | S | S | * | . | trans | -69.8 | 126.5 | 174.6 | -67.6 | -172.5 | -1.6 | 0 | 0 | 110.7 | R1354 F1356 P1360 | R1354-Q1358 HydrophobicContact CB-CB 4.19Å; R1354-Q1358 PolarHBondContact N-O 2.87Å; F1356-Q1358 VanDerWaalsContact C-N 3.34Å; F1356-Q1358 PolarHBondContact O-N 2.94Å; Q1358-P1360 VanDerWaalsContact C-CD 3.43Å | ||
| 1359 | K | 86.2 | Confident | 86.4 | Confident | 105 Ų | 105 | 52 Ų | 52 | 46% | 0.457 | 28% | 0.278 | S | S | . | . | trans | -124 | 59.8 | 176 | 58.1 | 167.3 | -173.2 | 168.9 | 0 | 113.2 | G1357 | G1357-K1359 PolarHBondContact O-N 2.91Š| ||
| 1360 | P | 87.2 | Confident | 86.2 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | trans | -56.6 | 139.3 | 177.4 | 24.9 | -35.9 | 0 | 0 | 0 | 111.8 | Y1292 R1351 D1352 Q1358 V1362 | Y1292-P1360 HydrophobicContact CD1-CB 4.22Å; Y1292-P1360 HydrophobicContact CE1-CB 3.69Å; Y1292-P1360 HydrophobicContact CE1-CG 4.42Å; R1351-P1360 VanDerWaalsContact CA-O 3.28Å; R1351-P1360 WeakPolarHBondContact CA-O 3.34Å; D1352-P1360 PolarHBondContact N-O 2.9Å; D1352-P1360 VanDerWaalsContact O-CD 3.31Å; D1352-P1360 WeakPolarHBondContact O-CD 3.47Å; Q1358-P1360 VanDerWaalsContact C-CD 3.43Å; P1360-V1362 HydrophobicContact CG-CG1 4.49Å | ||
| 1361 | M | 85.8 | Confident | 85.6 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 129.3 | 162.9 | -172.7 | -102.5 | -76.8 | 0 | 0 | 108 | S1133 L1135 Y1292 V1350 R1351 V1364 | S1133-M1361 WeakPolarHBondContact O-CE 3.37Å; L1135-M1361 HydrophobicContact CD1-CE 3.9Å; L1135-M1361 HydrophobicContact CD2-CE 3.91Å; L1135-M1361 HydrophobicContact CG-CE 3.75Å; Y1292-M1361 WeakPolarHBondContact CE2-O 3.47Å; V1350-M1361 CarbonylContact O-C 3.45Å; V1350-M1361 WeakPolarHBondContact O-CA 3.21Å; R1351-M1361 HydrophobicContact CG-CB 4.47Å; M1361-V1364 HydrophobicContact SD-CB 4.18Å; M1361-V1364 HydrophobicContact SD-CG1 4.49Å |
| 1362 | V | 87.5 | Confident | 85 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -14.1 | -171.5 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | M1289 Y1292 V1297 V1350 D1352 P1360 A1500 | M1289-V1362 HydrophobicContact CE-CG2 3.72Å; Y1292-V1362 HydrophobicContact CD1-CG1 3.92Å; Y1292-V1362 HydrophobicContact CD2-CB 4.34Å; Y1292-V1362 HydrophobicContact CD2-CG1 4.29Å; Y1292-V1362 HydrophobicContact CG-CB 4.18Å; Y1292-V1362 HydrophobicContact CG-CG1 3.74Å; V1297-V1362 HydrophobicContact CG1-CG2 4.46Å; V1297-V1362 HydrophobicContact CG2-CB 4.02Å; V1297-V1362 HydrophobicContact CG2-CG1 4.04Å; V1297-V1362 HydrophobicContact CG2-CG2 3.92Å; V1350-V1362 HydrophobicContact CB-CG2 4.1Å; V1350-V1362 HydrophobicContact CG1-CG2 3.84Å; V1350-V1362 WeakPolarHBondContact O-CG2 3.19Å; V1350-V1362 PolarHBondContact O-N 2.86Å; D1352-V1362 HydrophobicContact CB-CG1 3.65Å; D1352-V1362 HydrophobicContact CB-CG2 4.34Å; P1360-V1362 HydrophobicContact CG-CG1 4.49Å; V1362-A1500 WeakPolarHBondContact O-CB 3.47Å |
| 1363 | G | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 154.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1350 S1487 | V1350-G1363 PolarHBondContact N-O 2.84Å; G1363-S1487 CarbonylContact C-O 3.56Å; G1363-S1487 WeakPolarHBondContact CA-O 3.43Å |
| 1364 | V | 87.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.4 | -177.4 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | I1348 M1361 L1486 S1487 | I1348-V1364 CarbonylContact O-C 3.52Å; I1348-V1364 WeakPolarHBondContact O-CA 3.13Å; M1361-V1364 HydrophobicContact SD-CB 4.18Å; M1361-V1364 HydrophobicContact SD-CG1 4.49Å; V1364-L1486 WeakPolarHBondContact O-CA 3.48Å; V1364-S1487 PolarHBondContact N-O 2.88Å; V1364-S1487 PolarHBondContact O-N 2.96Å; V1364-S1487 PolarHBondContact O-OG 2.78Å |
| 1365 | H | 88.8 | Confident | 84.2 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 22% | 0.218 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.7 | 166.5 | -176.6 | 92.9 | 0 | 0 | 0 | 109.4 | I1348 F1484 T1485 L1486 | I1348-H1365 HydrophobicContact CB-CB 4.3Å; I1348-H1365 PolarHBondContact N-O 3.28Å; I1348-H1365 PolarHBondContact O-N 2.77Å; H1365-F1484 AromaticContact CD2-CD1 3.95Å; H1365-F1484 AromaticContact NE2-CD1 3.62Å; H1365-T1485 PolarHBondContact ND1-O 3.45Å; H1365-L1486 HydrophobicContact CB-CD2 4.06Å |
| 1366 | V | 84.4 | Confident | 84.1 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 107.9 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | C1159 P1345 T1368 | C1159-V1366 VanDerWaalsContact SG-CG1 3.53Å; P1345-V1366 HydrophobicContact CB-CG1 3.8Å; P1345-V1366 HydrophobicContact CG-CG1 4.44Å; V1366-T1368 HydrophobicContact CG1-CG2 4.18Å |
| 1367 | L | 86.1 | Confident | 83.8 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 115.8 | 177.2 | -175.8 | 68.1 | 0 | 0 | 0 | 109.9 | P1345 M1346 D1369 F1370 F1373 F1484 F1507 | P1345-L1367 CarbonylContact C-O 3.58Å; P1345-L1367 WeakPolarHBondContact CA-O 3.41Å; P1345-L1367 WeakPolarHBondContact CB-O 3.49Å; M1346-L1367 HydrophobicContact CB-CB 4.39Å; M1346-L1367 HydrophobicContact CE-CD2 3.69Å; M1346-L1367 PolarHBondContact N-O 2.92Å; M1346-L1367 PolarHBondContact O-N 3.43Å; L1367-D1369 WeakPolarHBondContact CD1-O 3.22Å; L1367-D1369 WeakPolarHBondContact CG-O 3.43Å; L1367-F1370 HydrophobicContact CD2-CD1 4.1Å; L1367-F1370 HydrophobicContact CD2-CE1 4Å; L1367-F1370 HydrophobicContact CG-CE1 4.39Å; L1367-F1373 HydrophobicContact CD1-CE2 4.14Å; L1367-F1373 HydrophobicContact CD2-CD2 4.04Å; L1367-F1373 HydrophobicContact CD2-CE2 3.71Å; L1367-F1484 HydrophobicContact CD1-CE1 4.12Å; L1367-F1507 HydrophobicContact CD2-CD2 4.14Å; L1367-F1507 HydrophobicContact CD2-CE2 4.03Å |
| 1368 | T | 78.4 | Confident | 83.6 | Confident | 55 Ų | 55 | 50 Ų | 50 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | trans | -105.5 | -19.2 | -178.6 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | P1345 V1366 | P1345-T1368 HydrophobicContact CB-CG2 4.17Å; V1366-T1368 HydrophobicContact CG1-CG2 4.18Å | ||
| 1369 | D | 81.1 | Confident | 83 | Confident | 90 Ų | 90 | 49.9 Ų | 49.9 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | trans | -111.4 | 128.1 | 177.4 | 179.9 | 11.3 | 0 | 0 | 0 | 109.8 | L1367 Q1371 | L1367-D1369 WeakPolarHBondContact CD1-O 3.22Å; L1367-D1369 WeakPolarHBondContact CG-O 3.43Å; D1369-Q1371 WeakPolarHBondContact OD1-CB 3.42Å; D1369-Q1371 PolarHBondContact OD1-N 2.85Å | ||
| 1370 | F | 84.4 | Confident | 82 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | trans | -114.4 | -3.3 | -177.2 | -63.5 | -80.6 | 0 | 0 | 0 | 113.2 | I1306 L1343 P1344 M1346 L1367 A1372 F1373 K1374 I1509 | I1306-F1370 HydrophobicContact CD1-CE1 3.93Å; I1306-F1370 HydrophobicContact CD1-CZ 3.75Å; L1343-F1370 HydrophobicContact CB-CD2 3.93Å; L1343-F1370 HydrophobicContact CB-CE2 4.07Å; L1343-F1370 HydrophobicContact CD1-CB 4.1Å; L1343-F1370 HydrophobicContact CD1-CD2 3.92Å; L1343-F1370 HydrophobicContact CD1-CG 4.3Å; P1344-F1370 VanDerWaalsContact O-CE2 3.23Å; P1344-F1370 WeakPolarHBondContact O-CE2 3.35Å; P1344-F1370 VanDerWaalsContact O-CZ 3.29Å; P1344-F1370 WeakPolarHBondContact O-CZ 3.18Å; M1346-F1370 HydrophobicContact CB-CE1 3.99Å; M1346-F1370 HydrophobicContact CB-CZ 3.98Å; M1346-F1370 HydrophobicContact CE-CE1 4.2Å; L1367-F1370 HydrophobicContact CD2-CD1 4.1Å; L1367-F1370 HydrophobicContact CD2-CE1 4Å; L1367-F1370 HydrophobicContact CG-CE1 4.39Å; F1370-A1372 VanDerWaalsContact C-N 3.29Å; F1370-A1372 PolarHBondContact O-N 3.19Å; F1370-F1373 PolarHBondContact O-N 3.19Å; F1370-K1374 PolarHBondContact O-N 2.88Å; F1370-I1509 HydrophobicContact CB-CD1 4.16Å; F1370-I1509 HydrophobicContact CD1-CD1 3.54Å; F1370-I1509 HydrophobicContact CE1-CD1 4.35Å; F1370-I1509 HydrophobicContact CG-CD1 4.23Å | ||
| 1371 | Q | 80.1 | Confident | 80.6 | Confident | 136 Ų | 136 | 51.9 Ų | 51.9 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -61.7 | -38 | -168.2 | -168 | 170.6 | -6.9 | 0 | 0 | 111.9 | D1369 F1373 | D1369-Q1371 WeakPolarHBondContact OD1-CB 3.42Å; D1369-Q1371 PolarHBondContact OD1-N 2.85Å; Q1371-F1373 PolarHBondContact O-N 3.35Å |
| 1372 | A | 80.7 | Confident | 79 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 72% | 0.719 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -68.8 | -10.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1370 | F1370-A1372 VanDerWaalsContact C-N 3.29Å; F1370-A1372 PolarHBondContact O-N 3.19Å |
| 1373 | F | 88 | Confident | 77 | Confident | 15 Ų | 15 | 59 Ų | 59 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -112.8 | -7.8 | -175.5 | -54.7 | -66.4 | 0 | 0 | 0 | 114 | L1367 F1370 Q1371 N1482 F1484 F1507 R1508 I1509 | L1367-F1373 HydrophobicContact CD1-CE2 4.14Å; L1367-F1373 HydrophobicContact CD2-CD2 4.04Å; L1367-F1373 HydrophobicContact CD2-CE2 3.71Å; F1370-F1373 PolarHBondContact O-N 3.19Å; Q1371-F1373 PolarHBondContact O-N 3.35Å; F1373-N1482 WeakPolarHBondContact CE1-OD1 3.37Å; F1373-F1484 HydrophobicContact CE1-CZ 4.4Å; F1373-F1484 HydrophobicContact CZ-CE1 4.23Å; F1373-F1484 AromaticContact CZ-CZ 3.86Å; F1373-F1484 HydrophobicContact CZ-CZ 3.86Å; F1373-F1507 HydrophobicContact CB-CB 3.96Å; F1373-F1507 HydrophobicContact CD1-CB 3.98Å; F1373-F1507 HydrophobicContact CD1-CD2 4.09Å; F1373-F1507 HydrophobicContact CD2-CD2 4.36Å; F1373-F1507 HydrophobicContact CE1-CD2 4.1Å; F1373-F1507 HydrophobicContact CE2-CD2 4.38Å; F1373-F1507 HydrophobicContact CG-CB 3.96Å; F1373-F1507 HydrophobicContact CG-CD2 4.23Å; F1373-F1507 HydrophobicContact CZ-CD2 4.26Å; F1373-R1508 WeakPolarHBondContact O-CA 3.38Å; F1373-I1509 HydrophobicContact CB-CD1 4.07Å; F1373-I1509 HydrophobicContact CB-CG1 4.25Å; F1373-I1509 PolarHBondContact O-N 3.01Å |
| 1374 | K | 84.3 | Confident | 75.1 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 133.5 | 176.8 | -75.6 | 176.4 | 175.3 | 174 | 0 | 111.1 | E1340 F1370 I1509 | E1340-K1374 WeakPolarHBondContact OE1-CE 3.3Å; E1340-K1374 IonicContact OE1-NZ 2.67Å; E1340-K1374 PolarHBondContact OE1-NZ 2.88Å; E1340-K1374 IonicContact OE2-NZ 2.92Å; E1340-K1374 PolarHBondContact OE2-NZ 2.92Å; F1370-K1374 PolarHBondContact O-N 2.88Å; K1374-I1509 WeakPolarHBondContact CA-O 3.45Å; K1374-I1509 HydrophobicContact CG-CB 4.4Å |
| 1375 | V | 82.3 | Confident | 73 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | trans | -139.6 | 158.4 | 178.5 | -67.6 | 0 | 0 | 0 | 0 | 110.6 | R1508 I1509 Y1510 Y1524 | V1375-R1508 HydrophobicContact CG2-CB 3.88Å; V1375-R1508 HydrophobicContact CG2-CG 4.48Å; V1375-I1509 PolarHBondContact N-O 2.97Å; V1375-Y1510 HydrophobicContact CG2-CD1 4.09Å; V1375-Y1510 WeakPolarHBondContact O-CB 3.35Å; V1375-Y1524 HydrophobicContact CB-CE2 4.24Å; V1375-Y1524 HydrophobicContact CG2-CD2 4.04Å; V1375-Y1524 HydrophobicContact CG2-CE2 3.51Å | ||
| 1376 | P | 79.2 | Confident | 70.7 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 64% | 0.643 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 158 | 172 | 26.7 | -34.8 | 0 | 0 | 0 | 112 | R1378 Y1524 | P1376-R1378 PolarHBondContact O-N 3.25Å; P1376-Y1524 WeakPolarHBondContact O-CE2 3.49Å; P1376-Y1524 PolarHBondContact O-OH 2.79Å |
| 1377 | A | 79.6 | Confident | 68.9 | Low | 35 Ų | 35 | 73.3 Ų | 73.3 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -73 | 118.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | T1379 Y1510 P1521 | A1377-T1379 PolarHBondContact O-N 3.2Å; A1377-Y1510 HydrophobicContact CB-CD2 4.15Å; A1377-P1521 HydrophobicContact CB-CB 4.28Å; A1377-P1521 HydrophobicContact CB-CG 3.97Å |
| 1378 | R | 74.4 | Confident | 67.3 | Low | 27 Ų | 27 | 73.9 Ų | 73.9 | 10% | 0.102 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 116.8 | -174.3 | -176.9 | -176.2 | -174.1 | 177.2 | 11.3 | 112.1 | P1376 S1380 Q1381 I1522 R1523 Y1524 | P1376-R1378 PolarHBondContact O-N 3.25Å; R1378-S1380 WeakPolarHBondContact CG-O 3.29Å; R1378-S1380 PolarHBondContact NE-O 3.48Å; R1378-Q1381 PolarHBondContact NH2-O 2.75Å; R1378-I1522 WeakPolarHBondContact CB-O 3.22Å; R1378-I1522 WeakPolarHBondContact CD-O 3.49Å; R1378-I1522 HydrophobicContact CG-CB 4.21Å; R1378-I1522 PolarHBondContact O-N 2.79Å; R1378-I1522 VanDerWaalsContact O-N 3.16Å; R1378-R1523 PolarHBondContact NH1-O 2.86Å; R1378-Y1524 HydrophobicContact CB-CE2 4.01Å |
| 1379 | T | 68.4 | Low | 65.9 | Low | 122 Ų | 122 | 77.3 Ų | 77.3 | 75% | 0.748 | 43% | 0.43 | S | S | * | . | trans | -97.8 | -22.4 | -179.4 | 63 | 0 | 0 | 0 | 0 | 113.7 | A1377 | A1377-T1379 PolarHBondContact O-N 3.2Š| ||
| 1380 | S | 64.6 | Low | 64.5 | Low | 43 Ų | 43 | 76 Ų | 76 | 30% | 0.301 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -127.6 | 153.5 | 179.9 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | R1378 T1382 | R1378-S1380 WeakPolarHBondContact CG-O 3.29Å; R1378-S1380 PolarHBondContact NE-O 3.48Å; S1380-T1382 PolarHBondContact O-N 2.98Å; S1380-T1382 PolarHBondContact OG-N 2.84Å; S1380-T1382 PolarHBondContact OG-OG1 3.4Å |
| 1381 | Q | 59.5 | Low | 62.7 | Low | 132 Ų | 132 | 76.1 Ų | 76.1 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -25.1 | 169.9 | -71.6 | -172.9 | -20.6 | 0 | 0 | 112.5 | R1378 I1522 | R1378-Q1381 PolarHBondContact NH2-O 2.75Å; Q1381-I1522 HydrophobicContact CG-CD1 4Å |
| 1382 | T | 50.9 | Low | 61 | Low | 105 Ų | 105 | 70.3 Ų | 70.3 | 64% | 0.644 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 7.7 | -171.2 | 48.3 | 0 | 0 | 0 | 0 | 116.4 | S1380 V1384 | S1380-T1382 PolarHBondContact O-N 2.98Å; S1380-T1382 PolarHBondContact OG-N 2.84Å; S1380-T1382 PolarHBondContact OG-OG1 3.4Å; T1382-V1384 PolarHBondContact O-N 3.3Å |
| 1383 | D | 45.8 | Very low | 59.6 | Low | 73 Ų | 73 | 69.7 Ų | 69.7 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -79.9 | -5.5 | -160.2 | -121.1 | -12 | 0 | 0 | 0 | 117.7 | L1385 | D1383-L1385 PolarHBondContact O-N 3.39Š|
| 1384 | V | 48 | Very low | 57.6 | Low | 81 Ų | 81 | 69.2 Ų | 69.2 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -81.7 | 5.2 | -176 | -166.1 | 0 | 0 | 0 | 0 | 112.7 | T1382 | T1382-V1384 PolarHBondContact O-N 3.3Š|
| 1385 | L | 44.5 | Very low | 55.6 | Low | 22 Ų | 22 | 67.2 Ų | 67.2 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -84.3 | -13.7 | -173 | -135.6 | 83.1 | 0 | 0 | 0 | 115.1 | D1383 L1391 T1392 A1395 L1670 | D1383-L1385 PolarHBondContact O-N 3.39Å; L1385-L1391 HydrophobicContact CD2-CB 4.29Å; L1385-L1391 WeakPolarHBondContact CD2-O 3.38Å; L1385-L1391 HydrophobicContact CG-CB 4.07Å; L1385-T1392 PolarHBondContact O-OG1 3.46Å; L1385-A1395 HydrophobicContact CD2-CB 3.35Å; L1385-L1670 HydrophobicContact CD1-CD1 4.35Å; L1385-L1670 HydrophobicContact CD1-CD2 3.98Å; L1385-L1670 HydrophobicContact CD1-CG 4.44Å |
| 1386 | M | 40.1 | Very low | 53.7 | Low | 122 Ų | 122 | 69.8 Ų | 69.8 | 60% | 0.601 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -25.4 | -165.8 | -68.8 | -137.9 | 68 | 0 | 0 | 115.6 | I1388 T1392 | M1386-I1388 VanDerWaalsContact C-N 3.31Å; M1386-I1388 PolarHBondContact O-N 2.91Å; M1386-T1392 HydrophobicContact CE-CG2 3.7Å; M1386-T1392 PolarHBondContact O-OG1 3.47Å |
| 1387 | D | 47.3 | Very low | 51.8 | Low | 160 Ų | 160 | 67.6 Ų | 67.6 | 86% | 0.856 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -13.8 | -176.8 | -70.2 | -15.8 | 0 | 0 | 0 | 114.1 | ||
| 1388 | I | 50.9 | Low | 49.7 | Very low | 28 Ų | 28 | 71.2 Ų | 71.2 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | trans | -108 | 92.4 | 179.7 | -58 | 171.1 | 0 | 0 | 0 | 107.6 | M1386 V1390 L1391 T1392 Y1668 P1725 | M1386-I1388 VanDerWaalsContact C-N 3.31Å; M1386-I1388 PolarHBondContact O-N 2.91Å; I1388-V1390 PolarHBondContact O-N 2.71Å; I1388-L1391 HydrophobicContact CB-CB 4.19Å; I1388-L1391 HydrophobicContact CB-CD1 4.25Å; I1388-L1391 HydrophobicContact CD1-CD1 3.99Å; I1388-L1391 HydrophobicContact CG2-CB 4.19Å; I1388-L1391 HydrophobicContact CG2-CD1 4.1Å; I1388-L1391 HydrophobicContact CG2-CG 4.29Å; I1388-L1391 CarbonylContact O-C 3.56Å; I1388-L1391 WeakPolarHBondContact O-CA 3.43Å; I1388-L1391 WeakPolarHBondContact O-CB 3.35Å; I1388-L1391 PolarHBondContact O-N 2.84Å; I1388-T1392 PolarHBondContact O-N 3.04Å; I1388-T1392 PolarHBondContact O-OG1 3.15Å; I1388-T1392 VanDerWaalsContact O-OG1 3.04Å; I1388-Y1668 HydrophobicContact CD1-CE1 4.39Å; I1388-P1725 HydrophobicContact CD1-CG 4.01Å; I1388-P1725 HydrophobicContact CG1-CG 4.39Å; I1388-P1725 HydrophobicContact CG2-CG 4.03Å | ||
| 1389 | Q | 49.3 | Very low | 47.7 | Very low | 128 Ų | 128 | 77.7 Ų | 77.7 | 60% | 0.598 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -43.1 | -42.2 | -177.2 | -173.9 | 65.3 | 51.8 | 0 | 0 | 113.7 | L1391 T1392 D1393 | Q1389-L1391 VanDerWaalsContact C-N 3.3Å; Q1389-L1391 PolarHBondContact O-N 2.97Å; Q1389-T1392 WeakPolarHBondContact CA-OG1 3.3Å; Q1389-T1392 WeakPolarHBondContact O-CB 3.44Å; Q1389-T1392 PolarHBondContact O-N 3.23Å; Q1389-D1393 PolarHBondContact NE2-OD1 3.43Å; Q1389-D1393 PolarHBondContact O-N 3.27Å |
| 1390 | V | 51.7 | Low | 45.9 | Very low | 61 Ų | 61 | 80.8 Ų | 80.8 | 37% | 0.37 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | I1388 I1394 K1723 | I1388-V1390 PolarHBondContact O-N 2.71Å; V1390-I1394 WeakPolarHBondContact O-CD1 3.32Å; V1390-I1394 WeakPolarHBondContact O-CG1 3.26Å; V1390-I1394 PolarHBondContact O-N 2.88Å; V1390-K1723 HydrophobicContact CG1-CB 4.26Å; V1390-K1723 WeakPolarHBondContact CG1-O 3.49Å |
| 1391 | L | 46.8 | Very low | 44.3 | Very low | 7 Ų | 7 | 84.2 Ų | 84.2 | 4% | 0.037 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -83.7 | -31.3 | 172.8 | -80.4 | 165.7 | 0 | 0 | 0 | 112.8 | L1385 I1388 Q1389 D1393 I1394 A1395 L1724 | L1385-L1391 HydrophobicContact CD2-CB 4.29Å; L1385-L1391 WeakPolarHBondContact CD2-O 3.38Å; L1385-L1391 HydrophobicContact CG-CB 4.07Å; I1388-L1391 HydrophobicContact CB-CB 4.19Å; I1388-L1391 HydrophobicContact CB-CD1 4.25Å; I1388-L1391 HydrophobicContact CD1-CD1 3.99Å; I1388-L1391 HydrophobicContact CG2-CB 4.19Å; I1388-L1391 HydrophobicContact CG2-CD1 4.1Å; I1388-L1391 HydrophobicContact CG2-CG 4.29Å; I1388-L1391 CarbonylContact O-C 3.56Å; I1388-L1391 WeakPolarHBondContact O-CA 3.43Å; I1388-L1391 WeakPolarHBondContact O-CB 3.35Å; I1388-L1391 PolarHBondContact O-N 2.84Å; Q1389-L1391 VanDerWaalsContact C-N 3.3Å; Q1389-L1391 PolarHBondContact O-N 2.97Å; L1391-D1393 VanDerWaalsContact C-N 3.26Å; L1391-D1393 PolarHBondContact O-N 3.12Å; L1391-I1394 HydrophobicContact CD2-CB 4.34Å; L1391-I1394 HydrophobicContact CD2-CD1 3.74Å; L1391-I1394 HydrophobicContact CD2-CG2 4.34Å; L1391-I1394 HydrophobicContact CG-CD1 4.31Å; L1391-I1394 CarbonylContact O-C 3.54Å; L1391-I1394 WeakPolarHBondContact O-CA 3.48Å; L1391-I1394 WeakPolarHBondContact O-CB 3.47Å; L1391-I1394 PolarHBondContact O-N 3.34Å; L1391-A1395 PolarHBondContact O-N 3.1Å; L1391-L1724 HydrophobicContact CD1-CD2 3.98Å; L1391-L1724 HydrophobicContact CD2-CD2 3.91Å; L1391-L1724 HydrophobicContact CG-CD2 3.79Å |
| 1392 | T | 45.4 | Very low | 42.8 | Very low | 15 Ų | 15 | 83.9 Ų | 83.9 | 9% | 0.092 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 169 | -37.6 | 0 | 0 | 0 | 0 | 110.1 | L1385 M1386 I1388 Q1389 I1394 A1395 C1396 | L1385-T1392 PolarHBondContact O-OG1 3.46Å; M1386-T1392 HydrophobicContact CE-CG2 3.7Å; M1386-T1392 PolarHBondContact O-OG1 3.47Å; I1388-T1392 PolarHBondContact O-N 3.04Å; I1388-T1392 PolarHBondContact O-OG1 3.15Å; I1388-T1392 VanDerWaalsContact O-OG1 3.04Å; Q1389-T1392 WeakPolarHBondContact CA-OG1 3.3Å; Q1389-T1392 WeakPolarHBondContact O-CB 3.44Å; Q1389-T1392 PolarHBondContact O-N 3.23Å; T1392-I1394 PolarHBondContact O-N 3.02Å; T1392-A1395 PolarHBondContact O-N 3.49Å; T1392-C1396 WeakPolarHBondContact O-CB 3.45Å; T1392-C1396 PolarHBondContact O-N 3.21Å |
| 1393 | D | 50.4 | Low | 41.8 | Very low | 74 Ų | 74 | 87 Ų | 87 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -17.3 | 171.6 | -62.5 | -8.9 | 0 | 0 | 0 | 113.7 | Q1389 L1391 S1397 R1692 | Q1389-D1393 PolarHBondContact NE2-OD1 3.43Å; Q1389-D1393 PolarHBondContact O-N 3.27Å; L1391-D1393 VanDerWaalsContact C-N 3.26Å; L1391-D1393 PolarHBondContact O-N 3.12Å; D1393-S1397 PolarHBondContact O-OG 3.08Å; D1393-R1692 PolarHBondContact O-NH1 2.99Å |
| 1394 | I | 46.7 | Very low | 40.9 | Very low | 5 Ų | 5 | 87.9 Ų | 87.9 | 3% | 0.026 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -86.7 | -26.1 | 175.7 | -73.4 | 161.1 | 0 | 0 | 0 | 112.1 | V1390 L1391 T1392 V1689 R1692 F1694 | V1390-I1394 WeakPolarHBondContact O-CD1 3.32Å; V1390-I1394 WeakPolarHBondContact O-CG1 3.26Å; V1390-I1394 PolarHBondContact O-N 2.88Å; L1391-I1394 HydrophobicContact CD2-CB 4.34Å; L1391-I1394 HydrophobicContact CD2-CD1 3.74Å; L1391-I1394 HydrophobicContact CD2-CG2 4.34Å; L1391-I1394 HydrophobicContact CG-CD1 4.31Å; L1391-I1394 CarbonylContact O-C 3.54Å; L1391-I1394 WeakPolarHBondContact O-CA 3.48Å; L1391-I1394 WeakPolarHBondContact O-CB 3.47Å; L1391-I1394 PolarHBondContact O-N 3.34Å; T1392-I1394 PolarHBondContact O-N 3.02Å; I1394-V1689 WeakPolarHBondContact CG2-O 3.45Å; I1394-R1692 HydrophobicContact CB-CB 4.24Å; I1394-R1692 HydrophobicContact CG1-CB 4.16Å; I1394-R1692 HydrophobicContact CG2-CB 3.9Å; I1394-R1692 PolarHBondContact O-N 3.34Å; I1394-F1694 HydrophobicContact CD1-CZ 3.76Å; I1394-F1694 HydrophobicContact CG1-CZ 3.96Å |
| 1395 | A | 42 | Very low | 40.1 | Very low | 35 Ų | 35 | 92.3 Ų | 92.3 | 29% | 0.289 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -102.7 | -34.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L1385 L1391 T1392 S1397 | L1385-A1395 HydrophobicContact CD2-CB 3.35Å; L1391-A1395 PolarHBondContact O-N 3.1Å; T1392-A1395 PolarHBondContact O-N 3.49Å; A1395-S1397 VanDerWaalsContact C-N 3.29Å; A1395-S1397 PolarHBondContact O-N 3Å |
| 1396 | C | 42.6 | Very low | 39.4 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -82.4 | 0.9 | -175.3 | -69.4 | 0 | 0 | 0 | 0 | 114.6 | T1392 T1398 | T1392-C1396 WeakPolarHBondContact O-CB 3.45Å; T1392-C1396 PolarHBondContact O-N 3.21Å; C1396-T1398 PolarHBondContact O-N 2.68Å; C1396-T1398 VanDerWaalsContact O-N 3.12Å |
| 1397 | S | 38.2 | Very low | 38.7 | Very low | 53 Ų | 53 | 100.7 Ų | 100.7 | 37% | 0.371 | 56% | 0.562 | S | S | . | * | trans | -87.4 | 63.8 | -177.5 | 41.4 | 0 | 0 | 0 | 0 | 113.8 | D1393 A1395 Q1399 | D1393-S1397 PolarHBondContact O-OG 3.08Å; A1395-S1397 VanDerWaalsContact C-N 3.29Å; A1395-S1397 PolarHBondContact O-N 3Å; S1397-Q1399 PolarHBondContact O-N 2.83Å | ||
| 1398 | T | 36.7 | Very low | 37.9 | Very low | 111 Ų | 111 | 98.5 Ų | 98.5 | 68% | 0.681 | 55% | 0.554 | S | S | * | * | trans | -82.9 | 10.5 | 164.1 | 53 | 0 | 0 | 0 | 0 | 113.6 | C1396 | C1396-T1398 PolarHBondContact O-N 2.68Å; C1396-T1398 VanDerWaalsContact O-N 3.12Å | ||
| 1399 | Q | 32.1 | Very low | 36.7 | Very low | 164 Ų | 164 | 106.1 Ų | 106.1 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -114 | 127.7 | 174.9 | -67.6 | -175.7 | -2.7 | 0 | 0 | 109.5 | S1397 P1401 | S1397-Q1399 PolarHBondContact O-N 2.83Å; Q1399-P1401 WeakPolarHBondContact O-CD 3.27Å |
| 1400 | E | 30.8 | Very low | 35.7 | Very low | 186 Ų | 186 | 107.3 Ų | 107.3 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | trans | -58.3 | 123.2 | 173.2 | -70.2 | -176.4 | 134.5 | 0 | 0 | 109.5 | C1402 | E1400-C1402 PolarHBondContact O-N 3.23Š| ||
| 1401 | P | 30.8 | Very low | 34.7 | Very low | 116 Ų | 116 | 113.1 Ų | 113.1 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | trans | -67.4 | 107.5 | -179.9 | -21.1 | 33.4 | 0 | 0 | 0 | 110.7 | Q1399 L1403 | Q1399-P1401 WeakPolarHBondContact O-CD 3.27Å; P1401-L1403 PolarHBondContact O-N 2.96Å; P1401-L1403 VanDerWaalsContact O-N 3.08Å | ||
| 1402 | C | 27.7 | Very low | 33.8 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 85% | 0.845 | 66% | 0.656 | S | S | * | * | trans | -56.7 | 113.9 | 166.8 | -70.9 | 0 | 0 | 0 | 0 | 109.2 | E1400 A1404 | E1400-C1402 PolarHBondContact O-N 3.23Å; C1402-A1404 VanDerWaalsContact C-N 3.31Å; C1402-A1404 PolarHBondContact O-N 2.99Å | ||
| 1403 | L | 29.5 | Very low | 33.3 | Very low | 170 Ų | 170 | 123 Ų | 123 | 89% | 0.89 | 69% | 0.689 | S | S | * | * | trans | -68.3 | 84.9 | 179.1 | -68.1 | 165.5 | 0 | 0 | 0 | 110.8 | P1401 E1405 | P1401-L1403 PolarHBondContact O-N 2.96Å; P1401-L1403 VanDerWaalsContact O-N 3.08Å; L1403-E1405 PolarHBondContact O-N 3.01Å | ||
| 1404 | A | 28 | Very low | 32.3 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | -84.9 | 98.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | C1402 P1406 | C1402-A1404 VanDerWaalsContact C-N 3.31Å; C1402-A1404 PolarHBondContact O-N 2.99Å; A1404-P1406 VanDerWaalsContact O-CD 3.29Å; A1404-P1406 WeakPolarHBondContact O-CD 3.32Å | ||
| 1405 | E | 31.3 | Very low | 31.5 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -63 | 118 | 179.6 | -62.3 | -178.4 | 151.3 | 0 | 0 | 111.6 | L1403 K1407 | L1403-E1405 PolarHBondContact O-N 3.01Å; E1405-K1407 PolarHBondContact O-N 3.42Å | ||
| 1406 | P | 28.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -74.4 | 111.7 | 170.9 | 28.6 | -29.3 | 0 | 0 | 0 | 109.1 | A1404 V1408 | A1404-P1406 VanDerWaalsContact O-CD 3.29Å; A1404-P1406 WeakPolarHBondContact O-CD 3.32Å; P1406-V1408 PolarHBondContact O-N 3.31Å | ||
| 1407 | K | 26.7 | Very low | 30.2 | Very low | 202 Ų | 202 | 144 Ų | 144 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -66.7 | 89.4 | 175 | -66.4 | 178.7 | -177.5 | 174.6 | 0 | 110.9 | E1405 | E1405-K1407 PolarHBondContact O-N 3.42Š| ||
| 1408 | V | 29.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -98.8 | 118.5 | 159.3 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | P1406 L1410 | P1406-V1408 PolarHBondContact O-N 3.31Å; V1408-L1410 VanDerWaalsContact C-N 3.26Å; V1408-L1410 HydrophobicContact CG1-CD1 4.01Å; V1408-L1410 PolarHBondContact O-N 2.83Å | ||
| 1409 | E | 26.9 | Very low | 29.5 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -72 | 74.4 | -176.6 | -62.7 | -176.1 | 141.5 | 0 | 0 | 111.6 | Q1411 | E1409-Q1411 PolarHBondContact O-N 3.26Å; E1409-Q1411 VanDerWaalsContact O-N 3.09Å | ||
| 1410 | L | 28.3 | Very low | 29.4 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 108.7 | 170.6 | -110.3 | 78.9 | 0 | 0 | 0 | 110 | V1408 S1412 | V1408-L1410 VanDerWaalsContact C-N 3.26Å; V1408-L1410 HydrophobicContact CG1-CD1 4.01Å; V1408-L1410 PolarHBondContact O-N 2.83Å; L1410-S1412 PolarHBondContact O-N 2.96Å | ||
| 1411 | Q | 29.8 | Very low | 29.3 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 132.1 | 175.6 | -65.4 | 176.3 | -4 | 0 | 0 | 110.9 | E1409 | E1409-Q1411 PolarHBondContact O-N 3.26Å; E1409-Q1411 VanDerWaalsContact O-N 3.09Å |
| 1412 | S | 28.6 | Very low | 29.2 | Very low | 106 Ų | 106 | 155.2 Ų | 155.2 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 127.6 | -168 | 55.1 | 0 | 0 | 0 | 0 | 113 | L1410 V1414 | L1410-S1412 PolarHBondContact O-N 2.96Å; S1412-V1414 PolarHBondContact O-N 2.91Å |
| 1413 | P | 33.8 | Very low | 29.5 | Very low | 122 Ų | 122 | 158.7 Ų | 158.7 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 120 | 175.8 | -21 | 32.5 | 0 | 0 | 0 | 111.1 | K1415 | P1413-K1415 PolarHBondContact O-N 3.28Š|
| 1414 | V | 30.8 | Very low | 30 | Very low | 132 Ų | 132 | 159.3 Ų | 159.3 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 122.3 | 179.3 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | S1412 S1416 | S1412-V1414 PolarHBondContact O-N 2.91Å; V1414-S1416 VanDerWaalsContact C-N 3.32Å; V1414-S1416 PolarHBondContact O-N 2.83Å |
| 1415 | K | 28.7 | Very low | 30.7 | Very low | 202 Ų | 202 | 160.6 Ų | 160.6 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 72.9 | -178 | -68.2 | 175 | 178 | 169.6 | 0 | 112.9 | P1413 K1417 | P1413-K1415 PolarHBondContact O-N 3.28Å; K1415-K1417 PolarHBondContact O-N 3.48Å | ||
| 1416 | S | 30.3 | Very low | 31.6 | Very low | 102 Ų | 102 | 157.5 Ų | 157.5 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -81.4 | 95.9 | 168.3 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | V1414 S1418 | V1414-S1416 VanDerWaalsContact C-N 3.32Å; V1414-S1416 PolarHBondContact O-N 2.83Å; S1416-S1418 PolarHBondContact O-N 3.36Å | ||
| 1417 | K | 27.3 | Very low | 32.7 | Very low | 210 Ų | 210 | 155.7 Ų | 155.7 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -71.9 | 90.2 | 173.4 | -73.5 | 175.7 | 176 | 173.8 | 0 | 111.2 | K1415 | K1415-K1417 PolarHBondContact O-N 3.48Š| ||
| 1418 | S | 31.6 | Very low | 34 | Very low | 90 Ų | 90 | 153.3 Ų | 153.3 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -122.8 | 105.4 | 161.8 | 53.9 | 0 | 0 | 0 | 0 | 110.7 | S1416 Q1420 | S1416-S1418 PolarHBondContact O-N 3.36Å; S1418-Q1420 PolarHBondContact O-N 3.03Å | ||
| 1419 | K | 29.8 | Very low | 35.1 | Very low | 214 Ų | 214 | 154.1 Ų | 154.1 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | -73.6 | 61.2 | 174.8 | -73.3 | -178.5 | 172.2 | -179.8 | 0 | 111.2 | K1421 | K1419-K1421 PolarHBondContact O-N 3.15Š| ||
| 1420 | Q | 28.9 | Very low | 36.4 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | trans | -76.8 | 107.8 | 162.6 | -80.9 | -174.2 | -18.9 | 0 | 0 | 108.3 | S1418 K1422 | S1418-Q1420 PolarHBondContact O-N 3.03Å; Q1420-K1422 PolarHBondContact O-N 3.44Å | ||
| 1421 | K | 27.9 | Very low | 37.7 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | -59.3 | 91.4 | 162.6 | -71.1 | 179.4 | 174.4 | -177.5 | 0 | 107.4 | K1419 K1423 | K1419-K1421 PolarHBondContact O-N 3.15Å; K1421-K1423 PolarHBondContact O-N 3.42Å | ||
| 1422 | K | 30.6 | Very low | 39.2 | Very low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | trans | -56.3 | 110.9 | 162.4 | -82.5 | -174.2 | 173.8 | -175.8 | 0 | 105.6 | Q1420 F1424 | Q1420-K1422 PolarHBondContact O-N 3.44Å; K1422-F1424 PolarHBondContact O-N 2.91Å; K1422-F1424 VanDerWaalsContact O-N 3.09Å | ||
| 1423 | K | 33.1 | Very low | 41.1 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 117.3 | 165 | -77.3 | -178.5 | 172 | -176.4 | 0 | 105.3 | K1421 M1425 | K1421-K1423 PolarHBondContact O-N 3.42Å; K1423-M1425 PolarHBondContact O-N 3.08Å |
| 1424 | F | 39.9 | Very low | 43.1 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 81% | 0.807 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 123 | 158.6 | -100.9 | -102.5 | 0 | 0 | 0 | 106 | K1422 | K1422-F1424 PolarHBondContact O-N 2.91Å; K1422-F1424 VanDerWaalsContact O-N 3.09Å |
| 1425 | M | 43 | Very low | 45.5 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 58% | 0.581 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -64 | 147.8 | 169.8 | -93.2 | 167.7 | 55.4 | 0 | 0 | 108.3 | K1423 L1427 I1430 | K1423-M1425 PolarHBondContact O-N 3.08Å; M1425-L1427 PolarHBondContact O-N 3.13Å; M1425-I1430 HydrophobicContact CB-CD1 3.85Å; M1425-I1430 HydrophobicContact CB-CG1 4.32Å; M1425-I1430 HydrophobicContact CE-CG1 4.06Å |
| 1426 | D | 50.2 | Low | 48.3 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 58% | 0.578 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.7 | -179.7 | -165.6 | -4 | 0 | 0 | 0 | 109.4 | K1428 Q1429 | D1426-K1428 PolarHBondContact O-N 3.37Å; D1426-K1428 VanDerWaalsContact O-N 3.17Å; D1426-Q1429 PolarHBondContact O-N 3.31Å |
| 1427 | L | 51.5 | Low | 51 | Low | 80 Ų | 80 | 118.8 Ų | 118.8 | 42% | 0.419 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -53.8 | -41 | -169.2 | -120.1 | 152.2 | 0 | 0 | 0 | 111.7 | M1425 Q1429 I1430 D1431 P1707 | M1425-L1427 PolarHBondContact O-N 3.13Å; L1427-Q1429 PolarHBondContact O-N 3.36Å; L1427-I1430 PolarHBondContact O-N 3Å; L1427-D1431 PolarHBondContact O-N 3.28Å; L1427-D1431 VanDerWaalsContact O-N 3.1Å; L1427-P1707 HydrophobicContact CD1-CB 3.94Å; L1427-P1707 HydrophobicContact CD2-CB 3.89Å; L1427-P1707 HydrophobicContact CD2-CG 3.68Å; L1427-P1707 HydrophobicContact CG-CB 4.17Å; L1427-P1707 HydrophobicContact CG-CG 4.3Å |
| 1428 | K | 53.2 | Low | 53.7 | Low | 153 Ų | 153 | 108.8 Ų | 108.8 | 67% | 0.665 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.8 | -41.7 | 177.4 | -67.6 | -172.5 | 170.6 | -168.9 | 0 | 113.3 | D1426 I1430 D1431 D1432 | D1426-K1428 PolarHBondContact O-N 3.37Å; D1426-K1428 VanDerWaalsContact O-N 3.17Å; K1428-I1430 PolarHBondContact O-N 2.85Å; K1428-D1431 PolarHBondContact O-N 2.72Å; K1428-D1432 WeakPolarHBondContact O-CB 3.32Å; K1428-D1432 PolarHBondContact O-N 2.98Å; K1428-D1432 VanDerWaalsContact O-N 3.13Å |
| 1429 | Q | 52.1 | Low | 56.5 | Low | 131 Ų | 131 | 104.5 Ų | 104.5 | 61% | 0.612 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.6 | -13.4 | -178.6 | -67.9 | -171 | -11.7 | 0 | 0 | 113.9 | D1426 L1427 | D1426-Q1429 PolarHBondContact O-N 3.31Å; L1427-Q1429 PolarHBondContact O-N 3.36Å |
| 1430 | I | 53.9 | Low | 59.3 | Low | 25 Ų | 25 | 94.3 Ų | 94.3 | 13% | 0.128 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -91.3 | -50.4 | 175 | -68.1 | 161.2 | 0 | 0 | 0 | 109.9 | M1425 L1427 K1428 K1433 I1434 F1456 | M1425-I1430 HydrophobicContact CB-CD1 3.85Å; M1425-I1430 HydrophobicContact CB-CG1 4.32Å; M1425-I1430 HydrophobicContact CE-CG1 4.06Å; L1427-I1430 PolarHBondContact O-N 3Å; K1428-I1430 PolarHBondContact O-N 2.85Å; I1430-K1433 PolarHBondContact O-N 3.36Å; I1430-I1434 HydrophobicContact CG2-CD1 4.01Å; I1430-F1456 HydrophobicContact CB-CZ 4.23Å; I1430-F1456 HydrophobicContact CD1-CE1 3.67Å; I1430-F1456 HydrophobicContact CD1-CZ 4Å; I1430-F1456 HydrophobicContact CG1-CE1 4.05Å; I1430-F1456 HydrophobicContact CG1-CZ 3.84Å; I1430-F1456 HydrophobicContact CG2-CD1 4.12Å; I1430-F1456 HydrophobicContact CG2-CD2 3.95Å; I1430-F1456 HydrophobicContact CG2-CE1 3.7Å; I1430-F1456 HydrophobicContact CG2-CE2 3.49Å; I1430-F1456 VanDerWaalsContact CG2-CE2 3.49Å; I1430-F1456 HydrophobicContact CG2-CG 4.25Å; I1430-F1456 HydrophobicContact CG2-CZ 3.36Å |
| 1431 | D | 57.3 | Low | 62.1 | Low | 44 Ų | 44 | 86.4 Ų | 86.4 | 24% | 0.235 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | -173.3 | -124.9 | 16.1 | 0 | 0 | 0 | 112.3 | L1427 K1428 K1433 I1434 P1648 H1708 | L1427-D1431 PolarHBondContact O-N 3.28Å; L1427-D1431 VanDerWaalsContact O-N 3.1Å; K1428-D1431 PolarHBondContact O-N 2.72Å; D1431-K1433 PolarHBondContact O-N 3.01Å; D1431-I1434 PolarHBondContact O-N 2.81Å; D1431-P1648 VanDerWaalsContact OD1-CD 3.28Å; D1431-P1648 WeakPolarHBondContact OD1-CD 3.37Å; D1431-H1708 IonicContact OD1-CE1 2.66Å; D1431-H1708 IonicContact OD1-NE2 3.65Å; D1431-H1708 PolarHBondContact OD1-NE2 3Å; D1431-H1708 IonicContact OD2-CE1 3.12Å; D1431-H1708 PolarHBondContact OD2-CE1 2.88Å; D1431-H1708 IonicContact OD2-NE2 2.7Å |
| 1432 | D | 60.4 | Low | 64.8 | Low | 139 Ų | 139 | 77 Ų | 77 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -4.4 | -179.8 | -65.8 | -12.4 | 0 | 0 | 0 | 114.4 | K1428 | K1428-D1432 WeakPolarHBondContact O-CB 3.32Å; K1428-D1432 PolarHBondContact O-N 2.98Å; K1428-D1432 VanDerWaalsContact O-N 3.13Å |
| 1433 | K | 68.1 | Low | 67.6 | Low | 156 Ų | 156 | 69.2 Ų | 69.2 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -7.8 | 176.5 | -66.1 | -170.3 | 178.1 | -173.2 | 0 | 114.5 | I1430 D1431 L1451 | I1430-K1433 PolarHBondContact O-N 3.36Å; D1431-K1433 PolarHBondContact O-N 3.01Å; K1433-L1451 WeakPolarHBondContact O-CD1 3.31Å |
| 1434 | I | 76.3 | Confident | 70.1 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | trans | -106.8 | 110.2 | -173.5 | -64.7 | 176.7 | 0 | 0 | 0 | 109.5 | I1430 D1431 Y1453 F1456 Y1458 P1648 | I1430-I1434 HydrophobicContact CG2-CD1 4.01Å; D1431-I1434 PolarHBondContact O-N 2.81Å; I1434-Y1453 HydrophobicContact CG2-CD2 3.55Å; I1434-Y1453 HydrophobicContact CG2-CE2 3.96Å; I1434-F1456 HydrophobicContact CD1-CD2 3.65Å; I1434-F1456 HydrophobicContact CD1-CE2 3.86Å; I1434-Y1458 HydrophobicContact CD1-CD2 4.34Å; I1434-Y1458 HydrophobicContact CD1-CE2 3.73Å; I1434-Y1458 HydrophobicContact CG2-CD2 4.24Å; I1434-Y1458 HydrophobicContact CG2-CE2 4.14Å; I1434-P1648 HydrophobicContact CG2-CB 4.17Å; I1434-P1648 HydrophobicContact CG2-CG 3.86Å | ||
| 1435 | D | 81.7 | Confident | 71.9 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | trans | -105.4 | 174.2 | -179.5 | 59.9 | 0.9 | 0 | 0 | 0 | 112.7 | W1437 S1438 R1772 | D1435-W1437 VanDerWaalsContact C-N 3.27Å; D1435-W1437 PolarHBondContact O-N 3.42Å; D1435-S1438 VanDerWaalsContact O-CB 3.31Å; D1435-S1438 WeakPolarHBondContact O-CB 3.46Å; D1435-S1438 PolarHBondContact O-N 3.22Å; D1435-S1438 VanDerWaalsContact O-N 3.16Å; D1435-S1438 WeakPolarHBondContact OD1-CB 3.45Å; D1435-S1438 PolarHBondContact OD1-N 2.6Å; D1435-S1438 PolarHBondContact OD1-OG 3.36Å; D1435-R1772 IonicContact OD1-CZ 3.69Å; D1435-R1772 IonicContact OD1-NE 3.88Å; D1435-R1772 IonicContact OD1-NH2 2.67Å; D1435-R1772 PolarHBondContact OD1-NH2 2.86Å; D1435-R1772 WeakPolarHBondContact OD2-CG 3.46Å; D1435-R1772 IonicContact OD2-CZ 2.83Å; D1435-R1772 IonicContact OD2-NE 2.83Å; D1435-R1772 PolarHBondContact OD2-NE 3.12Å; D1435-R1772 IonicContact OD2-NH2 3.23Å; D1435-R1772 PolarHBondContact OD2-NH2 3.3Å | ||
| 1436 | W | 87 | Confident | 73.7 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 5% | 0.045 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 175.3 | -178.1 | 93.2 | 0 | 0 | 0 | 112.6 | S1438 K1439 F1440 I1461 I1544 V1731 W1752 F1767 D1768 I1769 | W1436-S1438 VanDerWaalsContact C-N 3.26Å; W1436-S1438 PolarHBondContact O-N 3.03Å; W1436-K1439 WeakPolarHBondContact O-CA 3.24Å; W1436-K1439 VanDerWaalsContact O-CB 3.28Å; W1436-K1439 WeakPolarHBondContact O-CB 3.41Å; W1436-K1439 PolarHBondContact O-N 2.87Å; W1436-F1440 HydrophobicContact CE3-CB 4.19Å; W1436-F1440 HydrophobicContact CH2-CB 3.84Å; W1436-F1440 AromaticContact CH2-CD2 3.71Å; W1436-F1440 HydrophobicContact CH2-CD2 3.71Å; W1436-F1440 AromaticContact CH2-CG 3.92Å; W1436-F1440 HydrophobicContact CH2-CG 3.92Å; W1436-F1440 HydrophobicContact CZ2-CB 4.38Å; W1436-F1440 HydrophobicContact CZ2-CD2 4.38Å; W1436-F1440 HydrophobicContact CZ3-CB 3.76Å; W1436-F1440 HydrophobicContact CZ3-CD2 4.29Å; W1436-F1440 HydrophobicContact CZ3-CG 4.03Å; W1436-F1440 PolarHBondContact O-N 3.08Å; W1436-I1461 HydrophobicContact CZ2-CD1 4.14Å; W1436-I1544 HydrophobicContact CH2-CD1 3.73Å; W1436-I1544 HydrophobicContact CH2-CG1 3.73Å; W1436-I1544 HydrophobicContact CH2-CG2 4.1Å; W1436-I1544 HydrophobicContact CZ2-CD1 4.38Å; W1436-I1544 HydrophobicContact CZ3-CG1 4.35Å; W1436-I1544 HydrophobicContact CZ3-CG2 4.08Å; W1436-V1731 HydrophobicContact CZ2-CG2 4.34Å; W1436-W1752 AromaticContact CE2-CH2 3.8Å; W1436-W1752 HydrophobicContact CH2-CH2 4.35Å; W1436-W1752 AromaticContact CH2-CZ3 3.93Å; W1436-W1752 HydrophobicContact CH2-CZ3 3.93Å; W1436-W1752 HydrophobicContact CZ2-CE3 4.48Å; W1436-W1752 AromaticContact CZ2-CH2 3.57Å; W1436-W1752 HydrophobicContact CZ2-CH2 3.57Å; W1436-W1752 AromaticContact CZ2-CZ3 3.41Å; W1436-W1752 HydrophobicContact CZ2-CZ3 3.41Å; W1436-W1752 VanDerWaalsContact CZ2-CZ3 3.41Å; W1436-W1752 AromaticContact NE1-CH2 3.91Å; W1436-F1767 AromaticContact CD1-CD2 3.5Å; W1436-F1767 VanDerWaalsContact CD1-CD2 3.5Å; W1436-F1767 AromaticContact CD1-CE2 3.87Å; W1436-F1767 AromaticContact CD1-CG 3.58Å; W1436-F1767 AromaticContact NE1-CD2 3.51Å; W1436-F1767 AromaticContact NE1-CE2 3.8Å; W1436-D1768 WeakPolarHBondContact CB-O 3.29Å; W1436-I1769 HydrophobicContact CB-CG2 4.21Å; W1436-I1769 HydrophobicContact CD2-CB 4.33Å; W1436-I1769 HydrophobicContact CD2-CG2 3.39Å; W1436-I1769 HydrophobicContact CE3-CB 4.04Å; W1436-I1769 HydrophobicContact CE3-CG2 3.59Å; W1436-I1769 HydrophobicContact CG-CG2 3.67Å; W1436-I1769 HydrophobicContact CZ2-CG2 4.4Å; W1436-I1769 HydrophobicContact CZ3-CB 4.48Å; W1436-I1769 HydrophobicContact CZ3-CG2 4.18Å |
| 1437 | W | 86.5 | Confident | 74.6 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 174.4 | -71 | 99.1 | 0 | 0 | 0 | 112.5 | D1435 K1439 F1440 Y1441 I1544 E1585 I1769 S1770 | D1435-W1437 VanDerWaalsContact C-N 3.27Å; D1435-W1437 PolarHBondContact O-N 3.42Å; W1437-K1439 VanDerWaalsContact C-N 3.28Å; W1437-K1439 PolarHBondContact O-N 3Å; W1437-F1440 HydrophobicContact CE3-CD1 4.07Å; W1437-F1440 HydrophobicContact CZ3-CD1 4.13Å; W1437-F1440 HydrophobicContact CZ3-CE1 4.39Å; W1437-F1440 PolarHBondContact O-N 3.43Å; W1437-Y1441 HydrophobicContact CB-CD2 4.23Å; W1437-Y1441 HydrophobicContact CB-CE2 3.96Å; W1437-Y1441 AromaticContact CE3-CE2 4Å; W1437-Y1441 HydrophobicContact CE3-CE2 4Å; W1437-Y1441 AromaticContact CE3-CZ 3.82Å; W1437-Y1441 WeakPolarHBondContact O-CB 3.33Å; W1437-Y1441 WeakPolarHBondContact O-CD2 3.29Å; W1437-Y1441 PolarHBondContact O-N 3.26Å; W1437-I1544 HydrophobicContact CH2-CG2 3.55Å; W1437-I1544 HydrophobicContact CZ2-CG2 4.32Å; W1437-I1544 HydrophobicContact CZ3-CG2 3.91Å; W1437-E1585 HydrophobicContact CH2-CB 4.46Å; W1437-E1585 HydrophobicContact CH2-CG 4.47Å; W1437-I1769 PolarHBondContact NE1-O 3.49Å; W1437-I1769 VanDerWaalsContact NE1-O 3.09Å; W1437-S1770 PolarHBondContact NE1-O 3.15Å |
| 1438 | S | 85.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 172.5 | -60 | 0 | 0 | 0 | 0 | 112.1 | D1435 W1436 A1442 R1772 | D1435-S1438 VanDerWaalsContact O-CB 3.31Å; D1435-S1438 WeakPolarHBondContact O-CB 3.46Å; D1435-S1438 PolarHBondContact O-N 3.22Å; D1435-S1438 VanDerWaalsContact O-N 3.16Å; D1435-S1438 WeakPolarHBondContact OD1-CB 3.45Å; D1435-S1438 PolarHBondContact OD1-N 2.6Å; D1435-S1438 PolarHBondContact OD1-OG 3.36Å; W1436-S1438 VanDerWaalsContact C-N 3.26Å; W1436-S1438 PolarHBondContact O-N 3.03Å; S1438-A1442 WeakPolarHBondContact O-CB 3.34Å; S1438-A1442 PolarHBondContact O-N 3.07Å; S1438-A1442 VanDerWaalsContact O-N 3.08Å; S1438-R1772 PolarHBondContact OG-NH2 3.38Å |
| 1439 | K | 88.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 175 | 178.3 | 172.5 | 179 | 171.3 | 0 | 111.7 | W1436 W1437 S1443 Y1453 I1461 N1649 E1729 | W1436-K1439 WeakPolarHBondContact O-CA 3.24Å; W1436-K1439 VanDerWaalsContact O-CB 3.28Å; W1436-K1439 WeakPolarHBondContact O-CB 3.41Å; W1436-K1439 PolarHBondContact O-N 2.87Å; W1437-K1439 VanDerWaalsContact C-N 3.28Å; W1437-K1439 PolarHBondContact O-N 3Å; K1439-S1443 WeakPolarHBondContact O-CB 3.47Å; K1439-S1443 PolarHBondContact O-N 3.41Å; K1439-S1443 PolarHBondContact O-OG 3.47Å; K1439-Y1453 HydrophobicContact CB-CD2 4.49Å; K1439-Y1453 HydrophobicContact CB-CE1 4.32Å; K1439-Y1453 HydrophobicContact CB-CE2 3.66Å; K1439-Y1453 WeakPolarHBondContact CB-OH 3.29Å; K1439-Y1453 WeakPolarHBondContact CD-OH 3.24Å; K1439-Y1453 HydrophobicContact CG-CE1 4.47Å; K1439-Y1453 HydrophobicContact CG-CE2 4.39Å; K1439-Y1453 VanDerWaalsContact CG-OH 3.29Å; K1439-Y1453 WeakPolarHBondContact CG-OH 3.47Å; K1439-I1461 HydrophobicContact CD-CG2 4.27Å; K1439-I1461 HydrophobicContact CG-CG2 4.26Å; K1439-N1649 WeakPolarHBondContact CD-OD1 3.41Å; K1439-N1649 VanDerWaalsContact CE-OD1 3.27Å; K1439-N1649 WeakPolarHBondContact CE-OD1 3.48Å; K1439-N1649 PolarHBondContact NZ-OD1 3.39Å; K1439-E1729 WeakPolarHBondContact CE-OE2 3.37Å; K1439-E1729 IonicContact NZ-OE1 3Å; K1439-E1729 PolarHBondContact NZ-OE1 2.95Å; K1439-E1729 IonicContact NZ-OE2 3.36Å; K1439-E1729 PolarHBondContact NZ-OE2 3.12Å |
| 1440 | F | 89.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -53.9 | 176.5 | -179.2 | -105.1 | 0 | 0 | 0 | 112 | W1436 W1437 A1442 S1443 I1444 I1461 V1463 I1544 V1731 | W1436-F1440 HydrophobicContact CE3-CB 4.19Å; W1436-F1440 HydrophobicContact CH2-CB 3.84Å; W1436-F1440 AromaticContact CH2-CD2 3.71Å; W1436-F1440 HydrophobicContact CH2-CD2 3.71Å; W1436-F1440 AromaticContact CH2-CG 3.92Å; W1436-F1440 HydrophobicContact CH2-CG 3.92Å; W1436-F1440 HydrophobicContact CZ2-CB 4.38Å; W1436-F1440 HydrophobicContact CZ2-CD2 4.38Å; W1436-F1440 HydrophobicContact CZ3-CB 3.76Å; W1436-F1440 HydrophobicContact CZ3-CD2 4.29Å; W1436-F1440 HydrophobicContact CZ3-CG 4.03Å; W1436-F1440 PolarHBondContact O-N 3.08Å; W1437-F1440 HydrophobicContact CE3-CD1 4.07Å; W1437-F1440 HydrophobicContact CZ3-CD1 4.13Å; W1437-F1440 HydrophobicContact CZ3-CE1 4.39Å; W1437-F1440 PolarHBondContact O-N 3.43Å; F1440-A1442 PolarHBondContact O-N 3.27Å; F1440-S1443 WeakPolarHBondContact O-CA 3.24Å; F1440-S1443 WeakPolarHBondContact O-CB 3.41Å; F1440-S1443 PolarHBondContact O-N 2.81Å; F1440-I1444 HydrophobicContact CD1-CD1 4.35Å; F1440-I1444 HydrophobicContact CE1-CD1 3.82Å; F1440-I1444 HydrophobicContact CE2-CG2 4.43Å; F1440-I1444 HydrophobicContact CZ-CD1 4.28Å; F1440-I1444 HydrophobicContact CZ-CG2 4.34Å; F1440-I1444 PolarHBondContact O-N 3.21Å; F1440-I1444 VanDerWaalsContact O-N 3.12Å; F1440-I1461 HydrophobicContact CD2-CD1 4.37Å; F1440-V1463 HydrophobicContact CE2-CG2 4.39Å; F1440-I1544 HydrophobicContact CE2-CD1 4.37Å; F1440-V1731 HydrophobicContact CD2-CG2 4.3Å; F1440-V1731 HydrophobicContact CE2-CG1 4.48Å; F1440-V1731 HydrophobicContact CE2-CG2 4.29Å |
| 1441 | Y | 86.7 | Confident | 78.4 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 179.8 | -66.9 | -52.5 | 0 | 0 | 0 | 112.8 | W1437 S1443 I1444 G1445 E1446 K1449 | W1437-Y1441 HydrophobicContact CB-CD2 4.23Å; W1437-Y1441 HydrophobicContact CB-CE2 3.96Å; W1437-Y1441 AromaticContact CE3-CE2 4Å; W1437-Y1441 HydrophobicContact CE3-CE2 4Å; W1437-Y1441 AromaticContact CE3-CZ 3.82Å; W1437-Y1441 WeakPolarHBondContact O-CB 3.33Å; W1437-Y1441 WeakPolarHBondContact O-CD2 3.29Å; W1437-Y1441 PolarHBondContact O-N 3.26Å; Y1441-S1443 PolarHBondContact O-N 2.65Å; Y1441-I1444 HydrophobicContact CD1-CD1 4.16Å; Y1441-I1444 PolarHBondContact O-N 2.82Å; Y1441-G1445 PolarHBondContact O-N 2.93Å; Y1441-E1446 HydrophobicContact CD1-CB 4.01Å; Y1441-E1446 HydrophobicContact CG-CB 4.4Å; Y1441-E1446 PolarHBondContact O-N 2.9Å; Y1441-K1449 HydrophobicContact CD1-CB 4.19Å; Y1441-K1449 HydrophobicContact CD1-CD 4.04Å; Y1441-K1449 HydrophobicContact CD2-CB 3.5Å; Y1441-K1449 VanDerWaalsContact CD2-CB 3.5Å; Y1441-K1449 HydrophobicContact CD2-CD 4.37Å; Y1441-K1449 HydrophobicContact CE1-CD 3.84Å; Y1441-K1449 HydrophobicContact CE2-CB 3.94Å; Y1441-K1449 HydrophobicContact CE2-CD 4.15Å; Y1441-K1449 HydrophobicContact CG-CB 3.66Å; Y1441-K1449 HydrophobicContact CG-CD 4.33Å |
| 1442 | A | 84.6 | Confident | 79.2 | Confident | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -24.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1438 F1440 W1447 C1450 Y1453 T1460 | S1438-A1442 WeakPolarHBondContact O-CB 3.34Å; S1438-A1442 PolarHBondContact O-N 3.07Å; S1438-A1442 VanDerWaalsContact O-N 3.08Å; F1440-A1442 PolarHBondContact O-N 3.27Å; A1442-W1447 HydrophobicContact CB-CZ3 4.36Å; A1442-W1447 WeakPolarHBondContact O-CH2 3.31Å; A1442-W1447 WeakPolarHBondContact O-CZ3 3.25Å; A1442-C1450 HydrophobicContact CB-CB 3.87Å; A1442-Y1453 HydrophobicContact CB-CD1 3.78Å; A1442-Y1453 HydrophobicContact CB-CE1 4.37Å; A1442-Y1453 HydrophobicContact CB-CG 4.39Å; A1442-T1460 HydrophobicContact CB-CG2 4.49Å |
| 1443 | S | 88.9 | Confident | 80 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -89.2 | -31.2 | -177.2 | -56 | 0 | 0 | 0 | 0 | 112.9 | K1439 F1440 Y1441 T1460 I1461 | K1439-S1443 WeakPolarHBondContact O-CB 3.47Å; K1439-S1443 PolarHBondContact O-N 3.41Å; K1439-S1443 PolarHBondContact O-OG 3.47Å; F1440-S1443 WeakPolarHBondContact O-CA 3.24Å; F1440-S1443 WeakPolarHBondContact O-CB 3.41Å; F1440-S1443 PolarHBondContact O-N 2.81Å; Y1441-S1443 PolarHBondContact O-N 2.65Å; S1443-T1460 WeakPolarHBondContact OG-CA 3.42Å; S1443-T1460 VanDerWaalsContact OG-CB 3.31Å; S1443-T1460 WeakPolarHBondContact OG-CB 3.4Å; S1443-I1461 WeakPolarHBondContact CB-O 3.42Å; S1443-I1461 PolarHBondContact OG-N 2.83Å |
| 1444 | I | 86.5 | Confident | 79.8 | Confident | 59 Ų | 59 | 42.5 Ų | 42.5 | 30% | 0.303 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -89.3 | -6.6 | 171.5 | 64.3 | 172.2 | 0 | 0 | 0 | 113.9 | F1440 Y1441 E1446 V1463 | F1440-I1444 HydrophobicContact CD1-CD1 4.35Å; F1440-I1444 HydrophobicContact CE1-CD1 3.82Å; F1440-I1444 HydrophobicContact CE2-CG2 4.43Å; F1440-I1444 HydrophobicContact CZ-CD1 4.28Å; F1440-I1444 HydrophobicContact CZ-CG2 4.34Å; F1440-I1444 PolarHBondContact O-N 3.21Å; F1440-I1444 VanDerWaalsContact O-N 3.12Å; Y1441-I1444 HydrophobicContact CD1-CD1 4.16Å; Y1441-I1444 PolarHBondContact O-N 2.82Å; I1444-E1446 HydrophobicContact CD1-CG 4.03Å; I1444-E1446 VanDerWaalsContact CD1-OE1 3.29Å; I1444-E1446 WeakPolarHBondContact CD1-OE1 3.37Å; I1444-E1446 HydrophobicContact CG1-CB 4.41Å; I1444-E1446 HydrophobicContact CG1-CG 4.11Å; I1444-V1463 HydrophobicContact CG2-CB 4.1Å; I1444-V1463 HydrophobicContact CG2-CG1 4.03Å; I1444-V1463 HydrophobicContact CG2-CG2 3.81Å |
| 1445 | G | 78.4 | Confident | 79.6 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | 13.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1441 W1447 | Y1441-G1445 PolarHBondContact O-N 2.93Å; G1445-W1447 PolarHBondContact O-N 2.9Å; G1445-W1447 PolarHBondContact O-NE1 2.75Å |
| 1446 | E | 79.4 | Confident | 79.2 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | trans | -80.6 | 70.6 | 174.1 | -69.8 | -174 | -150 | 0 | 0 | 110.3 | Y1441 I1444 D1448 K1449 C1450 | Y1441-E1446 HydrophobicContact CD1-CB 4.01Å; Y1441-E1446 HydrophobicContact CG-CB 4.4Å; Y1441-E1446 PolarHBondContact O-N 2.9Å; I1444-E1446 HydrophobicContact CD1-CG 4.03Å; I1444-E1446 VanDerWaalsContact CD1-OE1 3.29Å; I1444-E1446 WeakPolarHBondContact CD1-OE1 3.37Å; I1444-E1446 HydrophobicContact CG1-CB 4.41Å; I1444-E1446 HydrophobicContact CG1-CG 4.11Å; E1446-D1448 PolarHBondContact O-N 3.29Å; E1446-K1449 PolarHBondContact O-N 2.98Å; E1446-K1449 VanDerWaalsContact O-N 3.07Å; E1446-K1449 VanDerWaalsContact OE2-CD 3.29Å; E1446-K1449 WeakPolarHBondContact OE2-CD 3.29Å; E1446-K1449 WeakPolarHBondContact OE2-CE 3.44Å; E1446-K1449 IonicContact OE2-NZ 3.33Å; E1446-K1449 PolarHBondContact OE2-NZ 3.42Å; E1446-C1450 PolarHBondContact O-N 2.74Å | ||
| 1447 | W | 70.3 | Confident | 78.4 | Confident | 130 Ų | 130 | 47.7 Ų | 47.7 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.2 | -171.4 | -54.1 | 109.9 | 0 | 0 | 0 | 114.2 | A1442 G1445 K1449 C1450 K1454 | A1442-W1447 HydrophobicContact CB-CZ3 4.36Å; A1442-W1447 WeakPolarHBondContact O-CH2 3.31Å; A1442-W1447 WeakPolarHBondContact O-CZ3 3.25Å; G1445-W1447 PolarHBondContact O-N 2.9Å; G1445-W1447 PolarHBondContact O-NE1 2.75Å; W1447-K1449 VanDerWaalsContact C-N 3.28Å; W1447-K1449 PolarHBondContact O-N 2.92Å; W1447-C1450 PolarHBondContact O-SG 3.35Å; W1447-K1454 HydrophobicContact CE3-CD 4.22Å; W1447-K1454 HydrophobicContact CH2-CD 4.22Å; W1447-K1454 VanDerWaalsContact CH2-NZ 3.32Å; W1447-K1454 HydrophobicContact CZ3-CD 3.69Å |
| 1448 | D | 68.1 | Low | 78.4 | Confident | 123 Ų | 123 | 48.1 Ų | 48.1 | 66% | 0.658 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.2 | 176.2 | 56.9 | -53 | 0 | 0 | 0 | 113 | E1446 | E1446-D1448 PolarHBondContact O-N 3.29Š|
| 1449 | K | 74.9 | Confident | 78.3 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 21% | 0.213 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -8.9 | -179.3 | -56.5 | -176.9 | -167.4 | 164.5 | 0 | 114.7 | Y1441 E1446 W1447 L1451 R1772 A1845 E1846 | Y1441-K1449 HydrophobicContact CD1-CB 4.19Å; Y1441-K1449 HydrophobicContact CD1-CD 4.04Å; Y1441-K1449 HydrophobicContact CD2-CB 3.5Å; Y1441-K1449 VanDerWaalsContact CD2-CB 3.5Å; Y1441-K1449 HydrophobicContact CD2-CD 4.37Å; Y1441-K1449 HydrophobicContact CE1-CD 3.84Å; Y1441-K1449 HydrophobicContact CE2-CB 3.94Å; Y1441-K1449 HydrophobicContact CE2-CD 4.15Å; Y1441-K1449 HydrophobicContact CG-CB 3.66Å; Y1441-K1449 HydrophobicContact CG-CD 4.33Å; E1446-K1449 PolarHBondContact O-N 2.98Å; E1446-K1449 VanDerWaalsContact O-N 3.07Å; E1446-K1449 VanDerWaalsContact OE2-CD 3.29Å; E1446-K1449 WeakPolarHBondContact OE2-CD 3.29Å; E1446-K1449 WeakPolarHBondContact OE2-CE 3.44Å; E1446-K1449 IonicContact OE2-NZ 3.33Å; E1446-K1449 PolarHBondContact OE2-NZ 3.42Å; W1447-K1449 VanDerWaalsContact C-N 3.28Å; W1447-K1449 PolarHBondContact O-N 2.92Å; K1449-L1451 VanDerWaalsContact C-N 3.32Å; K1449-L1451 PolarHBondContact O-N 2.94Å; K1449-R1772 PolarHBondContact O-NH1 3.14Å; K1449-R1772 PolarHBondContact O-NH2 2.74Å; K1449-A1845 WeakPolarHBondContact CA-O 3.41Å; K1449-E1846 HydrophobicContact CD-CG 4.22Å; K1449-E1846 HydrophobicContact CG-CG 4.24Å |
| 1450 | C | 71.8 | Confident | 78.2 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -85.9 | 4.9 | -175.9 | 83.1 | 0 | 0 | 0 | 0 | 115.1 | A1442 E1446 W1447 K1452 Y1453 | A1442-C1450 HydrophobicContact CB-CB 3.87Å; E1446-C1450 PolarHBondContact O-N 2.74Å; W1447-C1450 PolarHBondContact O-SG 3.35Å; C1450-K1452 PolarHBondContact O-N 2.84Å; C1450-Y1453 WeakPolarHBondContact O-CB 3.38Å; C1450-Y1453 PolarHBondContact O-N 2.99Å |
| 1451 | L | 75.8 | Confident | 78.2 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 39% | 0.387 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | -131.2 | -176.8 | -63.3 | 172.8 | 0 | 0 | 0 | 111.4 | K1433 K1449 A1845 | K1433-L1451 WeakPolarHBondContact O-CD1 3.31Å; K1449-L1451 VanDerWaalsContact C-N 3.32Å; K1449-L1451 PolarHBondContact O-N 2.94Å; L1451-A1845 HydrophobicContact CD1-CB 4.1Å; L1451-A1845 HydrophobicContact CD2-CB 3.73Å; L1451-A1845 HydrophobicContact CG-CB 4.03Å |
| 1452 | K | 72.8 | Confident | 78.5 | Confident | 114 Ų | 114 | 53.8 Ų | 53.8 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 14.5 | 179.4 | -73.1 | 176.8 | 162.9 | -92.6 | 0 | 113.3 | C1450 K1454 E1455 F1456 | C1450-K1452 PolarHBondContact O-N 2.84Å; K1452-K1454 VanDerWaalsContact C-N 3.28Å; K1452-K1454 PolarHBondContact O-N 2.9Å; K1452-K1454 VanDerWaalsContact O-N 3.13Å; K1452-E1455 HydrophobicContact CB-CB 4.49Å; K1452-E1455 HydrophobicContact CB-CG 4.42Å; K1452-E1455 IonicContact NZ-OE1 2.87Å; K1452-E1455 PolarHBondContact NZ-OE1 2.9Å; K1452-E1455 IonicContact NZ-OE2 3.91Å; K1452-E1455 PolarHBondContact NZ-OE2 2.99Å; K1452-E1455 WeakPolarHBondContact O-CB 3.41Å; K1452-E1455 PolarHBondContact O-N 2.69Å; K1452-F1456 HydrophobicContact CB-CD2 4.34Å; K1452-F1456 HydrophobicContact CB-CE2 3.69Å; K1452-F1456 VanDerWaalsContact O-CD2 3.27Å; K1452-F1456 WeakPolarHBondContact O-CD2 3.4Å |
| 1453 | Y | 77 | Confident | 78.8 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -48.2 | -46.7 | -171.9 | -169.1 | -90.6 | 0 | 0 | 0 | 113.5 | I1434 K1439 A1442 C1450 E1455 F1456 Y1458 D1459 N1649 | I1434-Y1453 HydrophobicContact CG2-CD2 3.55Å; I1434-Y1453 HydrophobicContact CG2-CE2 3.96Å; K1439-Y1453 HydrophobicContact CB-CD2 4.49Å; K1439-Y1453 HydrophobicContact CB-CE1 4.32Å; K1439-Y1453 HydrophobicContact CB-CE2 3.66Å; K1439-Y1453 WeakPolarHBondContact CB-OH 3.29Å; K1439-Y1453 WeakPolarHBondContact CD-OH 3.24Å; K1439-Y1453 HydrophobicContact CG-CE1 4.47Å; K1439-Y1453 HydrophobicContact CG-CE2 4.39Å; K1439-Y1453 VanDerWaalsContact CG-OH 3.29Å; K1439-Y1453 WeakPolarHBondContact CG-OH 3.47Å; A1442-Y1453 HydrophobicContact CB-CD1 3.78Å; A1442-Y1453 HydrophobicContact CB-CE1 4.37Å; A1442-Y1453 HydrophobicContact CB-CG 4.39Å; C1450-Y1453 WeakPolarHBondContact O-CB 3.38Å; C1450-Y1453 PolarHBondContact O-N 2.99Å; Y1453-E1455 PolarHBondContact O-N 2.9Å; Y1453-F1456 PolarHBondContact O-N 2.86Å; Y1453-Y1458 AromaticContact CD2-CD2 3.89Å; Y1453-Y1458 HydrophobicContact CD2-CD2 3.89Å; Y1453-Y1458 VanDerWaalsContact CE1-CB 3.44Å; Y1453-Y1458 AromaticContact CE2-CD2 3.72Å; Y1453-Y1458 HydrophobicContact CE2-CD2 3.72Å; Y1453-Y1458 HydrophobicContact CE2-CG 4.3Å; Y1453-Y1458 HydrophobicContact CG-CD2 4.44Å; Y1453-D1459 WeakPolarHBondContact CE1-O 3.41Å; Y1453-D1459 PolarHBondContact OH-O 3.42Å; Y1453-N1649 PolarHBondContact OH-ND2 3.47Å; Y1453-N1649 PolarHBondContact OH-OD1 2.82Å |
| 1454 | K | 65.3 | Low | 78.9 | Confident | 135 Ų | 135 | 56.4 Ų | 56.4 | 59% | 0.587 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -70.6 | -24.7 | -179.8 | -162.3 | 174.2 | -168.5 | 168.7 | 0 | 114.2 | W1447 K1452 F1456 G1457 | W1447-K1454 HydrophobicContact CE3-CD 4.22Å; W1447-K1454 HydrophobicContact CH2-CD 4.22Å; W1447-K1454 VanDerWaalsContact CH2-NZ 3.32Å; W1447-K1454 HydrophobicContact CZ3-CD 3.69Å; K1452-K1454 VanDerWaalsContact C-N 3.28Å; K1452-K1454 PolarHBondContact O-N 2.9Å; K1452-K1454 VanDerWaalsContact O-N 3.13Å; K1454-F1456 PolarHBondContact O-N 2.91Å; K1454-G1457 PolarHBondContact O-N 3.04Å |
| 1455 | E | 72.2 | Confident | 79 | Confident | 121 Ų | 121 | 57.5 Ų | 57.5 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -67.8 | -22.2 | 177.9 | -62.6 | -174.1 | 172.5 | 0 | 0 | 112.3 | K1452 Y1453 | K1452-E1455 HydrophobicContact CB-CB 4.49Å; K1452-E1455 HydrophobicContact CB-CG 4.42Å; K1452-E1455 IonicContact NZ-OE1 2.87Å; K1452-E1455 PolarHBondContact NZ-OE1 2.9Å; K1452-E1455 IonicContact NZ-OE2 3.91Å; K1452-E1455 PolarHBondContact NZ-OE2 2.99Å; K1452-E1455 WeakPolarHBondContact O-CB 3.41Å; K1452-E1455 PolarHBondContact O-N 2.69Å; Y1453-E1455 PolarHBondContact O-N 2.9Å |
| 1456 | F | 71.9 | Confident | 79.5 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 20% | 0.197 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -97 | -0.1 | -177.4 | -61.7 | -66.7 | 0 | 0 | 0 | 114.6 | I1430 I1434 K1452 Y1453 K1454 Y1458 | I1430-F1456 HydrophobicContact CB-CZ 4.23Å; I1430-F1456 HydrophobicContact CD1-CE1 3.67Å; I1430-F1456 HydrophobicContact CD1-CZ 4Å; I1430-F1456 HydrophobicContact CG1-CE1 4.05Å; I1430-F1456 HydrophobicContact CG1-CZ 3.84Å; I1430-F1456 HydrophobicContact CG2-CD1 4.12Å; I1430-F1456 HydrophobicContact CG2-CD2 3.95Å; I1430-F1456 HydrophobicContact CG2-CE1 3.7Å; I1430-F1456 HydrophobicContact CG2-CE2 3.49Å; I1430-F1456 VanDerWaalsContact CG2-CE2 3.49Å; I1430-F1456 HydrophobicContact CG2-CG 4.25Å; I1430-F1456 HydrophobicContact CG2-CZ 3.36Å; I1434-F1456 HydrophobicContact CD1-CD2 3.65Å; I1434-F1456 HydrophobicContact CD1-CE2 3.86Å; K1452-F1456 HydrophobicContact CB-CD2 4.34Å; K1452-F1456 HydrophobicContact CB-CE2 3.69Å; K1452-F1456 VanDerWaalsContact O-CD2 3.27Å; K1452-F1456 WeakPolarHBondContact O-CD2 3.4Å; Y1453-F1456 PolarHBondContact O-N 2.86Å; K1454-F1456 PolarHBondContact O-N 2.91Å; F1456-Y1458 HydrophobicContact CB-CD1 3.77Å; F1456-Y1458 HydrophobicContact CB-CD2 4.35Å; F1456-Y1458 HydrophobicContact CB-CE1 3.53Å; F1456-Y1458 HydrophobicContact CB-CE2 4.18Å; F1456-Y1458 HydrophobicContact CB-CG 4.16Å |
| 1457 | G | 71.6 | Confident | 80.2 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 35.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1454 | K1454-G1457 PolarHBondContact O-N 3.04Š|
| 1458 | Y | 85.2 | Confident | 81.3 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 150 | 178.1 | -67.8 | -3 | 0 | 0 | 0 | 111.9 | I1434 Y1453 F1456 P1648 H1708 | I1434-Y1458 HydrophobicContact CD1-CD2 4.34Å; I1434-Y1458 HydrophobicContact CD1-CE2 3.73Å; I1434-Y1458 HydrophobicContact CG2-CD2 4.24Å; I1434-Y1458 HydrophobicContact CG2-CE2 4.14Å; Y1453-Y1458 AromaticContact CD2-CD2 3.89Å; Y1453-Y1458 HydrophobicContact CD2-CD2 3.89Å; Y1453-Y1458 VanDerWaalsContact CE1-CB 3.44Å; Y1453-Y1458 AromaticContact CE2-CD2 3.72Å; Y1453-Y1458 HydrophobicContact CE2-CD2 3.72Å; Y1453-Y1458 HydrophobicContact CE2-CG 4.3Å; Y1453-Y1458 HydrophobicContact CG-CD2 4.44Å; F1456-Y1458 HydrophobicContact CB-CD1 3.77Å; F1456-Y1458 HydrophobicContact CB-CD2 4.35Å; F1456-Y1458 HydrophobicContact CB-CE1 3.53Å; F1456-Y1458 HydrophobicContact CB-CE2 4.18Å; F1456-Y1458 HydrophobicContact CB-CG 4.16Å; Y1458-P1648 HydrophobicContact CD2-CG 3.81Å; Y1458-P1648 HydrophobicContact CE2-CG 3.6Å; Y1458-H1708 AromaticContact CE1-CD2 3.93Å; Y1458-H1708 AromaticContact CZ-CD2 3.83Å; Y1458-H1708 AromaticContact CZ-NE2 3.93Å; Y1458-H1708 PolarHBondContact OH-CD2 3.45Å; Y1458-H1708 PolarHBondContact OH-NE2 2.86Å |
| 1459 | D | 84.2 | Confident | 82.3 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 147.3 | -171.3 | -58.6 | -15.2 | 0 | 0 | 0 | 113.5 | Y1453 Q1641 S1642 | Y1453-D1459 WeakPolarHBondContact CE1-O 3.41Å; Y1453-D1459 PolarHBondContact OH-O 3.42Å; D1459-Q1641 HydrophobicContact CB-CB 4.09Å; D1459-Q1641 HydrophobicContact CB-CG 4.21Å; D1459-Q1641 PolarHBondContact OD2-N 3.45Å; D1459-S1642 VanDerWaalsContact OD1-CB 3.23Å; D1459-S1642 WeakPolarHBondContact OD1-CB 3.49Å; D1459-S1642 PolarHBondContact OD1-OG 2.72Å; D1459-S1642 WeakPolarHBondContact OD2-CA 3.36Å; D1459-S1642 VanDerWaalsContact OD2-CB 3.31Å; D1459-S1642 WeakPolarHBondContact OD2-CB 3.35Å; D1459-S1642 PolarHBondContact OD2-N 2.98Å |
| 1460 | T | 87.2 | Confident | 83 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 163 | 168.3 | 53.9 | 0 | 0 | 0 | 0 | 112 | A1442 S1443 Q1641 | A1442-T1460 HydrophobicContact CB-CG2 4.49Å; S1443-T1460 WeakPolarHBondContact OG-CA 3.42Å; S1443-T1460 VanDerWaalsContact OG-CB 3.31Å; S1443-T1460 WeakPolarHBondContact OG-CB 3.4Å; T1460-Q1641 PolarHBondContact O-NE2 2.88Å; T1460-Q1641 PolarHBondContact OG1-NE2 2.9Å |
| 1461 | I | 90.4 | Very high | 83.7 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | trans | -110.5 | 154.3 | 178.5 | 63.8 | -170 | 0 | 0 | 0 | 111.7 | W1436 K1439 F1440 S1443 V1463 E1729 V1731 | W1436-I1461 HydrophobicContact CZ2-CD1 4.14Å; K1439-I1461 HydrophobicContact CD-CG2 4.27Å; K1439-I1461 HydrophobicContact CG-CG2 4.26Å; F1440-I1461 HydrophobicContact CD2-CD1 4.37Å; S1443-I1461 WeakPolarHBondContact CB-O 3.42Å; S1443-I1461 PolarHBondContact OG-N 2.83Å; I1461-V1463 HydrophobicContact CG1-CG2 4.09Å; I1461-V1463 PolarHBondContact O-N 2.82Å; I1461-E1729 HydrophobicContact CG2-CB 4.28Å; I1461-E1729 HydrophobicContact CG2-CG 3.68Å; I1461-V1731 HydrophobicContact CD1-CG2 3.74Å | ||
| 1462 | C | 91.3 | Very high | 83.9 | Confident | 48 Ų | 48 | 58 Ų | 58 | 32% | 0.324 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 110.4 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 110 | Y1464 E1729 H1730 V1731 | C1462-Y1464 HydrophobicContact CB-CE2 3.99Å; C1462-E1729 PolarHBondContact N-O 2.81Å; C1462-H1730 HydrophobicContact CB-CB 4.17Å; C1462-H1730 CarbonylContact O-C 3.56Å; C1462-H1730 WeakPolarHBondContact O-CA 3.13Å; C1462-H1730 WeakPolarHBondContact O-CB 3.36Å; C1462-V1731 PolarHBondContact O-N 2.8Å |
| 1463 | V | 91.3 | Very high | 84 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 106.4 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 109 | F1440 I1444 I1461 V1731 | F1440-V1463 HydrophobicContact CE2-CG2 4.39Å; I1444-V1463 HydrophobicContact CG2-CB 4.1Å; I1444-V1463 HydrophobicContact CG2-CG1 4.03Å; I1444-V1463 HydrophobicContact CG2-CG2 3.81Å; I1461-V1463 HydrophobicContact CG1-CG2 4.09Å; I1461-V1463 PolarHBondContact O-N 2.82Å; V1463-V1731 HydrophobicContact CG1-CB 4.33Å; V1463-V1731 HydrophobicContact CG1-CG1 4.48Å; V1463-V1731 HydrophobicContact CG2-CB 4.33Å |
| 1464 | Y | 92.1 | Very high | 84.3 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 17% | 0.169 | 30% | 0.298 | C | S | . | . | trans | -87.4 | 137.1 | 179 | -59.9 | -70.6 | 0 | 0 | 0 | 111.1 | C1462 H1466 L1468 V1471 H1730 V1731 T1733 | C1462-Y1464 HydrophobicContact CB-CE2 3.99Å; Y1464-H1466 PolarHBondContact O-N 2.83Å; Y1464-L1468 HydrophobicContact CD2-CD1 3.81Å; Y1464-L1468 HydrophobicContact CE2-CD1 3.58Å; Y1464-V1471 HydrophobicContact CD1-CG1 4.3Å; Y1464-V1471 HydrophobicContact CD1-CG2 3.59Å; Y1464-V1471 HydrophobicContact CD2-CG2 4.31Å; Y1464-V1471 HydrophobicContact CE1-CB 4.45Å; Y1464-V1471 HydrophobicContact CE1-CG1 3.75Å; Y1464-V1471 HydrophobicContact CE1-CG2 3.77Å; Y1464-V1471 HydrophobicContact CE2-CG2 4.46Å; Y1464-V1471 HydrophobicContact CG-CG2 3.87Å; Y1464-H1730 HydrophobicContact CD2-CB 3.93Å; Y1464-H1730 HydrophobicContact CE2-CB 3.6Å; Y1464-V1731 PolarHBondContact N-O 3.41Å; Y1464-T1733 WeakPolarHBondContact O-CB 3.43Å; Y1464-T1733 PolarHBondContact O-N 2.79Å; Y1464-T1733 PolarHBondContact O-OG1 2.85Å | ||
| 1465 | S | 87.4 | Confident | 85 | Confident | 81 Ų | 81 | 54 Ų | 54 | 57% | 0.566 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -80.3 | 1.8 | 176.3 | 38 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1466 | H | 89.5 | Confident | 85.6 | Confident | 93 Ų | 93 | 49.7 Ų | 49.7 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -141 | 172.5 | -175.6 | -12.9 | 107.3 | 0 | 0 | 0 | 110.1 | Y1464 T1733 | Y1464-H1466 PolarHBondContact O-N 2.83Å; H1466-T1733 CarbonylContact C-O 3.49Å; H1466-T1733 VanDerWaalsContact CA-O 3.23Å; H1466-T1733 WeakPolarHBondContact CA-O 3.42Å; H1466-T1733 PolarHBondContact O-N 2.71Å |
| 1467 | P | 93.2 | Very high | 86.4 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | trans | -48.4 | 144.9 | 164.6 | -30.4 | 39.2 | 0 | 0 | 0 | 113 | E1469 D1470 | P1467-E1469 VanDerWaalsContact C-N 3.29Å; P1467-E1469 HydrophobicContact CB-CG 4.06Å; P1467-E1469 PolarHBondContact O-N 2.73Å; P1467-D1470 HydrophobicContact CB-CB 4.49Å; P1467-D1470 WeakPolarHBondContact CB-OD2 3.25Å; P1467-D1470 WeakPolarHBondContact CD-OD2 3.27Å; P1467-D1470 WeakPolarHBondContact CG-OD2 3.42Å; P1467-D1470 PolarHBondContact O-N 2.91Å | ||
| 1468 | L | 93.2 | Very high | 87 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -62.7 | -36.1 | -178.8 | -172.9 | 72.5 | 0 | 0 | 0 | 112.8 | Y1464 D1470 V1471 F1474 F1477 A1635 V1727 E1732 | Y1464-L1468 HydrophobicContact CD2-CD1 3.81Å; Y1464-L1468 HydrophobicContact CE2-CD1 3.58Å; L1468-D1470 PolarHBondContact O-N 2.84Å; L1468-V1471 WeakPolarHBondContact O-CB 3.33Å; L1468-V1471 WeakPolarHBondContact O-CG2 2.89Å; L1468-V1471 PolarHBondContact O-N 2.95Å; L1468-F1474 HydrophobicContact CD1-CE2 4.27Å; L1468-F1477 HydrophobicContact CB-CE2 4.28Å; L1468-F1477 HydrophobicContact CD2-CE2 3.89Å; L1468-F1477 HydrophobicContact CD2-CZ 3.79Å; L1468-F1477 HydrophobicContact CG-CE2 3.92Å; L1468-F1477 HydrophobicContact CG-CZ 3.78Å; L1468-A1635 HydrophobicContact CD2-CB 4.21Å; L1468-V1727 HydrophobicContact CD1-CG1 4.37Å; L1468-V1727 HydrophobicContact CD2-CG1 4.12Å; L1468-V1727 HydrophobicContact CD2-CG2 4.42Å; L1468-E1732 HydrophobicContact CB-CB 4.29Å; L1468-E1732 PolarHBondContact N-OE2 2.54Å |
| 1469 | E | 90.6 | Very high | 86.9 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 17% | 0.173 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -63.7 | -24.5 | 177.9 | 50.9 | -92.1 | -152.3 | 0 | 0 | 114.2 | P1467 V1471 G1476 F1477 R1628 R1734 | P1467-E1469 VanDerWaalsContact C-N 3.29Å; P1467-E1469 HydrophobicContact CB-CG 4.06Å; P1467-E1469 PolarHBondContact O-N 2.73Å; E1469-V1471 VanDerWaalsContact C-N 3.34Å; E1469-G1476 VanDerWaalsContact O-CA 3.26Å; E1469-G1476 WeakPolarHBondContact O-CA 3.47Å; E1469-G1476 PolarHBondContact O-N 3Å; E1469-G1476 VanDerWaalsContact O-N 3.13Å; E1469-F1477 HydrophobicContact CB-CD2 3.75Å; E1469-F1477 HydrophobicContact CB-CE2 3.97Å; E1469-R1628 IonicContact OE2-CZ 2.66Å; E1469-R1628 IonicContact OE2-NE 3.68Å; E1469-R1628 IonicContact OE2-NH2 3.82Å; E1469-R1628 PolarHBondContact OE2-NH2 2.81Å; E1469-R1734 VanDerWaalsContact CD-NH1 3.33Å; E1469-R1734 IonicContact OE1-CZ 3.69Å; E1469-R1734 IonicContact OE1-NH1 3.21Å; E1469-R1734 PolarHBondContact OE1-NH1 3.2Å; E1469-R1734 IonicContact OE1-NH2 2.72Å; E1469-R1734 PolarHBondContact OE1-NH2 2.8Å; E1469-R1734 IonicContact OE2-NH1 3.23Å; E1469-R1734 PolarHBondContact OE2-NH1 2.7Å |
| 1470 | D | 89.9 | Confident | 87 | Confident | 108 Ų | 108 | 51 Ų | 51 | 58% | 0.578 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -88.1 | 0.2 | -179 | -62.4 | -27.8 | 0 | 0 | 0 | 113.1 | P1467 L1468 E1472 | P1467-D1470 HydrophobicContact CB-CB 4.49Å; P1467-D1470 WeakPolarHBondContact CB-OD2 3.25Å; P1467-D1470 WeakPolarHBondContact CD-OD2 3.27Å; P1467-D1470 WeakPolarHBondContact CG-OD2 3.42Å; P1467-D1470 PolarHBondContact O-N 2.91Å; L1468-D1470 PolarHBondContact O-N 2.84Å; D1470-E1472 PolarHBondContact O-N 2.77Å |
| 1471 | V | 86.6 | Confident | 87 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -72.4 | 128.8 | 179 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | Y1464 L1468 E1469 G1473 F1474 | Y1464-V1471 HydrophobicContact CD1-CG1 4.3Å; Y1464-V1471 HydrophobicContact CD1-CG2 3.59Å; Y1464-V1471 HydrophobicContact CD2-CG2 4.31Å; Y1464-V1471 HydrophobicContact CE1-CB 4.45Å; Y1464-V1471 HydrophobicContact CE1-CG1 3.75Å; Y1464-V1471 HydrophobicContact CE1-CG2 3.77Å; Y1464-V1471 HydrophobicContact CE2-CG2 4.46Å; Y1464-V1471 HydrophobicContact CG-CG2 3.87Å; L1468-V1471 WeakPolarHBondContact O-CB 3.33Å; L1468-V1471 WeakPolarHBondContact O-CG2 2.89Å; L1468-V1471 PolarHBondContact O-N 2.95Å; E1469-V1471 VanDerWaalsContact C-N 3.34Å; V1471-G1473 PolarHBondContact O-N 3.36Å; V1471-F1474 HydrophobicContact CB-CD2 3.74Å; V1471-F1474 HydrophobicContact CB-CE2 4.04Å; V1471-F1474 HydrophobicContact CG1-CD2 4.06Å; V1471-F1474 HydrophobicContact CG1-CE2 3.97Å; V1471-F1474 PolarHBondContact O-N 3Å; V1471-F1474 VanDerWaalsContact O-N 3.09Å |
| 1472 | E | 78.3 | Confident | 86.9 | Confident | 194 Ų | 194 | 49.6 Ų | 49.6 | 91% | 0.907 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 129.1 | 178.5 | -68.4 | -174.3 | 163.9 | 0 | 0 | 112.1 | D1470 | D1470-E1472 PolarHBondContact O-N 2.77Š|
| 1473 | G | 75.7 | Confident | 86.8 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -18.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1471 Y1633 | V1471-G1473 PolarHBondContact O-N 3.36Å; G1473-Y1633 PolarHBondContact O-OH 2.96Å |
| 1474 | F | 84.3 | Confident | 86.8 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -92.2 | -13.3 | 177.1 | -63.7 | -25 | 0 | 0 | 0 | 114.7 | L1468 V1471 G1476 F1477 Y1633 V1727 | L1468-F1474 HydrophobicContact CD1-CE2 4.27Å; V1471-F1474 HydrophobicContact CB-CD2 3.74Å; V1471-F1474 HydrophobicContact CB-CE2 4.04Å; V1471-F1474 HydrophobicContact CG1-CD2 4.06Å; V1471-F1474 HydrophobicContact CG1-CE2 3.97Å; V1471-F1474 PolarHBondContact O-N 3Å; V1471-F1474 VanDerWaalsContact O-N 3.09Å; F1474-G1476 VanDerWaalsContact C-N 3.33Å; F1474-G1476 PolarHBondContact O-N 3.14Å; F1474-F1477 HydrophobicContact CB-CD1 4.1Å; F1474-F1477 HydrophobicContact CB-CE1 3.59Å; F1474-F1477 HydrophobicContact CB-CZ 4.09Å; F1474-F1477 HydrophobicContact CD1-CE1 4.34Å; F1474-F1477 AromaticContact CD2-CE1 3.88Å; F1474-F1477 HydrophobicContact CD2-CE1 3.88Å; F1474-F1477 AromaticContact CD2-CZ 3.77Å; F1474-F1477 HydrophobicContact CD2-CZ 3.77Å; F1474-F1477 AromaticContact CG-CE1 3.69Å; F1474-F1477 HydrophobicContact CG-CE1 3.69Å; F1474-F1477 HydrophobicContact CG-CZ 4.07Å; F1474-F1477 PolarHBondContact O-N 3.2Å; F1474-Y1633 HydrophobicContact CB-CD2 4.31Å; F1474-Y1633 HydrophobicContact CD1-CD1 4.1Å; F1474-Y1633 HydrophobicContact CD1-CD2 4.18Å; F1474-Y1633 AromaticContact CD1-CG 3.85Å; F1474-Y1633 HydrophobicContact CD1-CG 3.85Å; F1474-Y1633 HydrophobicContact CE1-CG 4.49Å; F1474-Y1633 VanDerWaalsContact O-CE2 3.28Å; F1474-Y1633 WeakPolarHBondContact O-CE2 3.46Å; F1474-V1727 HydrophobicContact CD2-CG2 4.38Å; F1474-V1727 HydrophobicContact CE1-CG2 4.15Å; F1474-V1727 HydrophobicContact CE2-CG2 3.84Å; F1474-V1727 HydrophobicContact CZ-CB 4.46Å; F1474-V1727 HydrophobicContact CZ-CG2 3.72Å |
| 1475 | N | 78.7 | Confident | 86.7 | Confident | 108 Ų | 108 | 49.9 Ų | 49.9 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | 50.8 | 45.2 | 170 | -56.1 | -9.7 | 0 | 0 | 0 | 113.9 | F1477 T1478 | N1475-F1477 PolarHBondContact O-N 3.3Å; N1475-F1477 VanDerWaalsContact O-N 3.15Å; N1475-T1478 PolarHBondContact O-N 3.06Å; N1475-T1478 PolarHBondContact O-OG1 3.44Å |
| 1476 | G | 84.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | 67.4 | 11.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1469 F1474 T1478 | E1469-G1476 VanDerWaalsContact O-CA 3.26Å; E1469-G1476 WeakPolarHBondContact O-CA 3.47Å; E1469-G1476 PolarHBondContact O-N 3Å; E1469-G1476 VanDerWaalsContact O-N 3.13Å; F1474-G1476 VanDerWaalsContact C-N 3.33Å; F1474-G1476 PolarHBondContact O-N 3.14Å; G1476-T1478 PolarHBondContact O-N 3.31Å |
| 1477 | F | 89.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | 54.7 | 30.2 | -168.4 | -57.2 | -51.9 | 0 | 0 | 0 | 114 | L1468 E1469 F1474 N1475 N1627 R1628 T1631 Y1633 A1635 V1727 | L1468-F1477 HydrophobicContact CB-CE2 4.28Å; L1468-F1477 HydrophobicContact CD2-CE2 3.89Å; L1468-F1477 HydrophobicContact CD2-CZ 3.79Å; L1468-F1477 HydrophobicContact CG-CE2 3.92Å; L1468-F1477 HydrophobicContact CG-CZ 3.78Å; E1469-F1477 HydrophobicContact CB-CD2 3.75Å; E1469-F1477 HydrophobicContact CB-CE2 3.97Å; F1474-F1477 HydrophobicContact CB-CD1 4.1Å; F1474-F1477 HydrophobicContact CB-CE1 3.59Å; F1474-F1477 HydrophobicContact CB-CZ 4.09Å; F1474-F1477 HydrophobicContact CD1-CE1 4.34Å; F1474-F1477 AromaticContact CD2-CE1 3.88Å; F1474-F1477 HydrophobicContact CD2-CE1 3.88Å; F1474-F1477 AromaticContact CD2-CZ 3.77Å; F1474-F1477 HydrophobicContact CD2-CZ 3.77Å; F1474-F1477 AromaticContact CG-CE1 3.69Å; F1474-F1477 HydrophobicContact CG-CE1 3.69Å; F1474-F1477 HydrophobicContact CG-CZ 4.07Å; F1474-F1477 PolarHBondContact O-N 3.2Å; N1475-F1477 PolarHBondContact O-N 3.3Å; N1475-F1477 VanDerWaalsContact O-N 3.15Å; F1477-N1627 HydrophobicContact CB-CB 4.15Å; F1477-R1628 HydrophobicContact CD2-CG 4.07Å; F1477-R1628 HydrophobicContact CE2-CG 4.33Å; F1477-T1631 HydrophobicContact CB-CG2 4.26Å; F1477-T1631 HydrophobicContact CD1-CG2 3.61Å; F1477-T1631 HydrophobicContact CE1-CG2 4.21Å; F1477-T1631 HydrophobicContact CG-CG2 4.07Å; F1477-Y1633 HydrophobicContact CD1-CD2 4.1Å; F1477-Y1633 HydrophobicContact CE1-CD2 4.36Å; F1477-A1635 HydrophobicContact CD1-CB 4.25Å; F1477-A1635 HydrophobicContact CD2-CB 4.36Å; F1477-A1635 HydrophobicContact CE1-CB 3.78Å; F1477-A1635 HydrophobicContact CE2-CB 3.92Å; F1477-A1635 HydrophobicContact CZ-CB 3.61Å; F1477-V1727 HydrophobicContact CE1-CG2 4.11Å; F1477-V1727 HydrophobicContact CZ-CG2 4.09Å |
| 1478 | T | 84.7 | Confident | 85.7 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | trans | -93.3 | 9.9 | 179.6 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | N1475 G1476 F1480 C1481 | N1475-T1478 PolarHBondContact O-N 3.06Å; N1475-T1478 PolarHBondContact O-OG1 3.44Å; G1476-T1478 PolarHBondContact O-N 3.31Å; T1478-F1480 VanDerWaalsContact C-N 3.32Å; T1478-F1480 PolarHBondContact O-N 2.83Å; T1478-C1481 WeakPolarHBondContact CA-O 3.38Å; T1478-C1481 CarbonylContact O-C 3.59Å; T1478-C1481 PolarHBondContact O-N 2.75Å | ||
| 1479 | D | 82.8 | Confident | 84.3 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -65.7 | -30.3 | -174.3 | 61.8 | -73.5 | 0 | 0 | 0 | 114 | T1631 K1632 Y1633 | D1479-T1631 WeakPolarHBondContact OD1-CA 3.49Å; D1479-T1631 WeakPolarHBondContact OD1-CB 3.12Å; D1479-T1631 PolarHBondContact OD1-OG1 3.13Å; D1479-K1632 HydrophobicContact CB-CD 4.27Å; D1479-K1632 WeakPolarHBondContact OD2-CB 3.34Å; D1479-K1632 WeakPolarHBondContact OD2-CD 3.21Å; D1479-K1632 WeakPolarHBondContact OD2-CG 3.47Å; D1479-K1632 PolarHBondContact OD2-N 3.28Å; D1479-Y1633 HydrophobicContact CB-CE2 4.26Å |
| 1480 | F | 86.3 | Confident | 82.7 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 13% | 0.127 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -81.4 | -52.4 | 172.8 | 179.5 | -94.2 | 0 | 0 | 0 | 111.7 | L1282 W1284 T1478 T1506 L1528 V1530 L1630 | L1282-F1480 HydrophobicContact CD2-CD1 4.3Å; L1282-F1480 HydrophobicContact CD2-CE1 3.92Å; L1282-F1480 HydrophobicContact CD2-CE2 4.33Å; L1282-F1480 HydrophobicContact CD2-CZ 3.93Å; L1282-F1480 WeakPolarHBondContact CD2-O 3.44Å; W1284-F1480 AromaticContact CD2-CE1 3.85Å; W1284-F1480 HydrophobicContact CD2-CE1 3.85Å; W1284-F1480 HydrophobicContact CD2-CZ 4.3Å; W1284-F1480 AromaticContact CE2-CE1 3.93Å; W1284-F1480 HydrophobicContact CE3-CE1 4.03Å; W1284-F1480 HydrophobicContact CE3-CZ 4.03Å; W1284-F1480 HydrophobicContact CG-CE1 4.31Å; W1284-F1480 HydrophobicContact CH2-CE1 4.33Å; W1284-F1480 HydrophobicContact CH2-CZ 4.03Å; W1284-F1480 HydrophobicContact CZ2-CE1 4.18Å; W1284-F1480 HydrophobicContact CZ2-CZ 4.32Å; W1284-F1480 HydrophobicContact CZ3-CE1 4.27Å; W1284-F1480 AromaticContact CZ3-CZ 3.89Å; W1284-F1480 HydrophobicContact CZ3-CZ 3.89Å; T1478-F1480 VanDerWaalsContact C-N 3.32Å; T1478-F1480 PolarHBondContact O-N 2.83Å; F1480-T1506 VanDerWaalsContact O-CG2 3.26Å; F1480-T1506 WeakPolarHBondContact O-CG2 3.42Å; F1480-L1528 HydrophobicContact CE2-CD2 4.24Å; F1480-L1528 HydrophobicContact CZ-CD2 4.46Å; F1480-V1530 HydrophobicContact CE2-CG2 4.49Å; F1480-L1630 HydrophobicContact CB-CB 4.14Å; F1480-L1630 HydrophobicContact CD1-CB 4.01Å; F1480-L1630 HydrophobicContact CD1-CD1 3.68Å; F1480-L1630 HydrophobicContact CD1-CG 4.29Å; F1480-L1630 HydrophobicContact CE1-CD1 3.8Å; F1480-L1630 HydrophobicContact CE1-CD2 4.38Å; F1480-L1630 HydrophobicContact CG-CB 4.05Å |
| 1481 | C | 86.3 | Confident | 81.1 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | trans | -151.2 | 152.5 | 174.6 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | L1282 T1478 | L1282-C1481 HydrophobicContact CD2-CB 4.45Å; T1478-C1481 WeakPolarHBondContact CA-O 3.38Å; T1478-C1481 CarbonylContact O-C 3.59Å; T1478-C1481 PolarHBondContact O-N 2.75Å | ||
| 1482 | N | 89.1 | Confident | 79.3 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.193 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 162.1 | 172.8 | -52.8 | 89.6 | 0 | 0 | 0 | 110.6 | F1373 F1484 K1504 G1505 T1506 | F1373-N1482 WeakPolarHBondContact CE1-OD1 3.37Å; N1482-F1484 HydrophobicContact CB-CE2 3.88Å; N1482-F1484 HydrophobicContact CB-CZ 3.89Å; N1482-K1504 WeakPolarHBondContact O-CA 3.42Å; N1482-G1505 CarbonylContact C-O 3.57Å; N1482-G1505 WeakPolarHBondContact CA-O 3.3Å; N1482-G1505 WeakPolarHBondContact CB-O 3.45Å; N1482-G1505 PolarHBondContact N-O 3.08Å; N1482-G1505 PolarHBondContact O-N 2.87Å; N1482-G1505 VanDerWaalsContact O-O 3.05Å; N1482-T1506 VanDerWaalsContact OD1-CB 3.26Å; N1482-T1506 WeakPolarHBondContact OD1-CB 3.22Å; N1482-T1506 PolarHBondContact OD1-OG1 3.17Å |
| 1483 | T | 89.4 | Confident | 78 | Confident | 53 Ų | 53 | 47.8 Ų | 47.8 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.9 | 172 | -55.4 | 0 | 0 | 0 | 0 | 108.9 | E1502 K1504 | T1483-E1502 HydrophobicContact CG2-CB 4.01Å; T1483-E1502 HydrophobicContact CG2-CG 3.65Å; T1483-K1504 HydrophobicContact CG2-CG 4.45Å; T1483-K1504 WeakPolarHBondContact OG1-CE 3.43Å |
| 1484 | F | 91.4 | Very high | 77 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.4 | 178 | -59.6 | -83.1 | 0 | 0 | 0 | 110.1 | I1348 H1365 L1367 F1373 N1482 F1503 G1505 F1507 | I1348-F1484 HydrophobicContact CD1-CG 4.39Å; H1365-F1484 AromaticContact CD2-CD1 3.95Å; H1365-F1484 AromaticContact NE2-CD1 3.62Å; L1367-F1484 HydrophobicContact CD1-CE1 4.12Å; F1373-F1484 HydrophobicContact CE1-CZ 4.4Å; F1373-F1484 HydrophobicContact CZ-CE1 4.23Å; F1373-F1484 AromaticContact CZ-CZ 3.86Å; F1373-F1484 HydrophobicContact CZ-CZ 3.86Å; N1482-F1484 HydrophobicContact CB-CE2 3.88Å; N1482-F1484 HydrophobicContact CB-CZ 3.89Å; F1484-F1503 HydrophobicContact CB-CD1 4.21Å; F1484-F1503 AromaticContact CD2-CD1 3.61Å; F1484-F1503 HydrophobicContact CD2-CD1 3.61Å; F1484-F1503 AromaticContact CD2-CE1 3.84Å; F1484-F1503 HydrophobicContact CD2-CE1 3.84Å; F1484-F1503 HydrophobicContact CE2-CD1 4.43Å; F1484-F1503 HydrophobicContact CE2-CE1 4.22Å; F1484-F1503 HydrophobicContact CG-CD1 4.28Å; F1484-F1503 PolarHBondContact N-O 2.89Å; F1484-F1503 PolarHBondContact O-N 2.87Å; F1484-G1505 WeakPolarHBondContact CE2-O 3.49Å; F1484-F1507 HydrophobicContact CE1-CE2 4.4Å; F1484-F1507 AromaticContact CE2-CE2 3.79Å; F1484-F1507 HydrophobicContact CE2-CE2 3.79Å; F1484-F1507 HydrophobicContact CE2-CZ 4.47Å; F1484-F1507 HydrophobicContact CZ-CD2 4.18Å; F1484-F1507 AromaticContact CZ-CE2 3.58Å; F1484-F1507 HydrophobicContact CZ-CE2 3.58Å |
| 1485 | T | 90.3 | Very high | 75.3 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 126.5 | 178.6 | -53.1 | 0 | 0 | 0 | 0 | 111 | H1365 Y1499 | H1365-T1485 PolarHBondContact ND1-O 3.45Å; T1485-Y1499 HydrophobicContact CG2-CD2 3.55Å; T1485-Y1499 HydrophobicContact CG2-CE2 3.74Å |
| 1486 | L | 89.5 | Confident | 74.1 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 136.2 | 178.2 | -56.9 | 167.6 | 0 | 0 | 0 | 110.1 | M1289 V1350 V1364 H1365 A1500 G1501 F1503 | M1289-L1486 HydrophobicContact CE-CD1 4.1Å; M1289-L1486 HydrophobicContact SD-CD1 3.77Å; V1350-L1486 HydrophobicContact CB-CD1 4.35Å; V1350-L1486 HydrophobicContact CG2-CD1 3.5Å; V1350-L1486 HydrophobicContact CG2-CD2 3.86Å; V1350-L1486 HydrophobicContact CG2-CG 4.35Å; V1364-L1486 WeakPolarHBondContact O-CA 3.48Å; H1365-L1486 HydrophobicContact CB-CD2 4.06Å; L1486-A1500 HydrophobicContact CB-CB 4.1Å; L1486-A1500 WeakPolarHBondContact O-CB 3.26Å; L1486-A1500 PolarHBondContact O-N 3.15Å; L1486-G1501 WeakPolarHBondContact CB-O 3.46Å; L1486-G1501 PolarHBondContact N-O 2.92Å; L1486-F1503 HydrophobicContact CD1-CB 4.45Å; L1486-F1503 HydrophobicContact CD2-CB 4.19Å; L1486-F1503 HydrophobicContact CG-CB 4.45Å |
| 1487 | S | 82.9 | Confident | 72.9 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 159.7 | 171.5 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | G1363 V1364 G1489 N1498 | G1363-S1487 CarbonylContact C-O 3.56Å; G1363-S1487 WeakPolarHBondContact CA-O 3.43Å; V1364-S1487 PolarHBondContact N-O 2.88Å; V1364-S1487 PolarHBondContact O-N 2.96Å; V1364-S1487 PolarHBondContact O-OG 2.78Å; S1487-G1489 VanDerWaalsContact C-N 3.28Å; S1487-N1498 CarbonylContact C-O 3.53Å; S1487-N1498 VanDerWaalsContact CA-O 3.26Å; S1487-N1498 WeakPolarHBondContact CA-O 3.49Å |
| 1488 | R | 75.6 | Confident | 72.2 | Confident | 99 Ų | 99 | 65.2 Ų | 65.2 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | trans | -79.8 | -9 | 173.4 | -65.2 | 177.3 | 167.6 | -178.7 | -3.7 | 113.1 | K1291 N1498 A1500 | K1291-R1488 PolarHBondContact O-NH2 3.07Å; R1488-N1498 WeakPolarHBondContact CA-OD1 3.46Å; R1488-N1498 WeakPolarHBondContact CB-OD1 3.36Å; R1488-N1498 PolarHBondContact N-O 2.89Å; R1488-N1498 PolarHBondContact N-OD1 2.88Å; R1488-A1500 HydrophobicContact CG-CB 3.9Å | ||
| 1489 | G | 63.6 | Low | 72.2 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 12% | 0.124 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 91.4 | -100 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1487 N1491 N1498 | S1487-G1489 VanDerWaalsContact C-N 3.28Å; G1489-N1491 PolarHBondContact O-N 2.89Å; G1489-N1498 PolarHBondContact N-OD1 2.87Å; G1489-N1498 VanDerWaalsContact N-OD1 3.1Å; G1489-N1498 PolarHBondContact O-ND2 2.94Å |
| 1490 | K | 58.5 | Low | 72.4 | Confident | 83 Ų | 83 | 64.1 Ų | 64.1 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | trans | -72.9 | 114.1 | -172.8 | -178 | 175.6 | -176.3 | 169.2 | 0 | 112.2 | A1129 A1130 D1131 V1492 | A1129-K1490 HydrophobicContact CB-CB 4.33Å; A1130-K1490 WeakPolarHBondContact O-CD 3.04Å; A1130-K1490 VanDerWaalsContact O-CE 3.27Å; A1130-K1490 WeakPolarHBondContact O-CE 3.42Å; A1130-K1490 PolarHBondContact O-NZ 2.96Å; D1131-K1490 WeakPolarHBondContact O-CD 3.41Å; K1490-V1492 HydrophobicContact CG-CG2 4.46Å | ||
| 1491 | N | 54.4 | Low | 72.6 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | trans | -77.3 | 121.9 | 158.8 | -98.4 | 41.4 | 0 | 0 | 0 | 108.9 | G1489 D1493 E1496 N1498 | G1489-N1491 PolarHBondContact O-N 2.89Å; N1491-D1493 PolarHBondContact ND2-O 2.92Å; N1491-E1496 PolarHBondContact ND2-O 2.85Å; N1491-N1498 WeakPolarHBondContact OD1-CB 3.17Å; N1491-N1498 PolarHBondContact OD1-ND2 3.48Å | ||
| 1492 | V | 50.8 | Low | 72.9 | Confident | 109 Ų | 109 | 64 Ų | 64 | 66% | 0.661 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -82.8 | -39.5 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | K1490 | K1490-V1492 HydrophobicContact CG-CG2 4.46Š|
| 1493 | D | 50.8 | Low | 73.2 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 53% | 0.529 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -113.6 | 145.9 | 171 | -68.5 | -55.2 | 0 | 0 | 0 | 110.4 | N1491 D1495 E1496 | N1491-D1493 PolarHBondContact ND2-O 2.92Å; D1493-D1495 PolarHBondContact O-N 3.46Å; D1493-E1496 HydrophobicContact CB-CG 4.45Å; D1493-E1496 PolarHBondContact O-N 2.78Å |
| 1494 | E | 53.1 | Low | 73.4 | Confident | 156 Ų | 156 | 59.8 Ų | 59.8 | 73% | 0.729 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.3 | 176.7 | -60.7 | -156.5 | 156.8 | 0 | 0 | 112.8 | K1234 | K1234-E1494 IonicContact NZ-OE1 3.5Å; K1234-E1494 PolarHBondContact NZ-OE1 2.98Å; K1234-E1494 IonicContact NZ-OE2 3.4Å; K1234-E1494 PolarHBondContact NZ-OE2 3.2Å |
| 1495 | D | 49.6 | Very low | 73.4 | Confident | 166 Ų | 166 | 59 Ų | 59 | 89% | 0.888 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -8.9 | 180 | -64.4 | -43.5 | 0 | 0 | 0 | 114 | D1493 | D1493-D1495 PolarHBondContact O-N 3.46Š|
| 1496 | E | 52.5 | Low | 73.6 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -81.9 | 139.3 | 178.3 | -83.4 | -155.1 | 147.3 | 0 | 0 | 113.4 | N1491 D1493 N1498 | N1491-E1496 PolarHBondContact ND2-O 2.85Å; D1493-E1496 HydrophobicContact CB-CG 4.45Å; D1493-E1496 PolarHBondContact O-N 2.78Å; E1496-N1498 PolarHBondContact O-N 3.11Å |
| 1497 | D | 60.3 | Low | 73.7 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | trans | -77.7 | 112.1 | 176.7 | 176.7 | 7.5 | 0 | 0 | 0 | 112.1 | R1290 Y1499 | R1290-D1497 IonicContact CZ-OD2 2.72Å; R1290-D1497 VanDerWaalsContact NH1-CG 3.28Å; R1290-D1497 IonicContact NH1-OD1 2.65Å; R1290-D1497 IonicContact NH1-OD2 3.06Å; R1290-D1497 PolarHBondContact NH1-OD2 3.08Å; R1290-D1497 IonicContact NH2-OD2 2.89Å; R1290-D1497 PolarHBondContact NH2-OD2 3.4Å; D1497-Y1499 VanDerWaalsContact C-N 3.25Å; D1497-Y1499 PolarHBondContact O-N 3.25Å; D1497-Y1499 WeakPolarHBondContact OD1-CB 3.23Å; D1497-Y1499 PolarHBondContact OD1-N 3.21Å | ||
| 1498 | N | 74.1 | Confident | 74.1 | Confident | 44 Ų | 44 | 56 Ų | 56 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | trans | -72.7 | -7.6 | -178.5 | -152.7 | -15.5 | 0 | 0 | 0 | 113.9 | S1487 R1488 G1489 N1491 E1496 A1500 | S1487-N1498 CarbonylContact C-O 3.53Å; S1487-N1498 VanDerWaalsContact CA-O 3.26Å; S1487-N1498 WeakPolarHBondContact CA-O 3.49Å; R1488-N1498 WeakPolarHBondContact CA-OD1 3.46Å; R1488-N1498 WeakPolarHBondContact CB-OD1 3.36Å; R1488-N1498 PolarHBondContact N-O 2.89Å; R1488-N1498 PolarHBondContact N-OD1 2.88Å; G1489-N1498 PolarHBondContact N-OD1 2.87Å; G1489-N1498 VanDerWaalsContact N-OD1 3.1Å; G1489-N1498 PolarHBondContact O-ND2 2.94Å; N1491-N1498 WeakPolarHBondContact OD1-CB 3.17Å; N1491-N1498 PolarHBondContact OD1-ND2 3.48Å; E1496-N1498 PolarHBondContact O-N 3.11Å; N1498-A1500 PolarHBondContact O-N 3.19Å | ||
| 1499 | Y | 84.4 | Confident | 74.8 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 21% | 0.208 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 128.4 | -177.7 | -179.7 | -76.5 | 0 | 0 | 0 | 112 | A1288 R1290 T1485 D1497 G1501 E1502 | A1288-Y1499 HydrophobicContact CB-CE1 4.48Å; A1288-Y1499 WeakPolarHBondContact CB-OH 3.44Å; R1290-Y1499 WeakPolarHBondContact CD-O 3.44Å; R1290-Y1499 HydrophobicContact CG-CD1 4.14Å; R1290-Y1499 HydrophobicContact CG-CE1 4.32Å; R1290-Y1499 PolarHBondContact NH1-O 3.36Å; T1485-Y1499 HydrophobicContact CG2-CD2 3.55Å; T1485-Y1499 HydrophobicContact CG2-CE2 3.74Å; D1497-Y1499 VanDerWaalsContact C-N 3.25Å; D1497-Y1499 PolarHBondContact O-N 3.25Å; D1497-Y1499 WeakPolarHBondContact OD1-CB 3.23Å; D1497-Y1499 PolarHBondContact OD1-N 3.21Å; Y1499-G1501 VanDerWaalsContact CE1-CA 3.47Å; Y1499-E1502 PolarHBondContact OH-OE1 3.3Å |
| 1500 | A | 86.5 | Confident | 76.1 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -28.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1290 V1362 L1486 R1488 N1498 | R1290-A1500 PolarHBondContact N-O 3.2Å; V1362-A1500 WeakPolarHBondContact O-CB 3.47Å; L1486-A1500 HydrophobicContact CB-CB 4.1Å; L1486-A1500 WeakPolarHBondContact O-CB 3.26Å; L1486-A1500 PolarHBondContact O-N 3.15Å; R1488-A1500 HydrophobicContact CG-CB 3.9Å; N1498-A1500 PolarHBondContact O-N 3.19Å |
| 1501 | G | 90.8 | Very high | 77.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.2 | -159.8 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1486 Y1499 | L1486-G1501 WeakPolarHBondContact CB-O 3.46Å; L1486-G1501 PolarHBondContact N-O 2.92Å; Y1499-G1501 VanDerWaalsContact CE1-CA 3.47Å |
| 1502 | E | 93.7 | Very high | 79.3 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.8 | -177.4 | -82.1 | 158.8 | -144.4 | 0 | 0 | 111.5 | V1286 R1287 T1483 Y1499 K1600 | V1286-E1502 CarbonylContact C-O 3.51Å; V1286-E1502 VanDerWaalsContact CA-O 3.29Å; V1286-E1502 WeakPolarHBondContact CA-O 3.35Å; R1287-E1502 HydrophobicContact CB-CB 3.89Å; R1287-E1502 PolarHBondContact N-O 2.89Å; R1287-E1502 PolarHBondContact O-N 2.64Å; T1483-E1502 HydrophobicContact CG2-CB 4.01Å; T1483-E1502 HydrophobicContact CG2-CG 3.65Å; Y1499-E1502 PolarHBondContact OH-OE1 3.3Å; E1502-K1600 IonicContact OE2-NZ 3.38Å; E1502-K1600 PolarHBondContact OE2-NZ 2.92Å; E1502-K1600 VanDerWaalsContact OE2-NZ 3.09Å |
| 1503 | F | 94.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.7 | 164 | 163.7 | -110.3 | 0 | 0 | 0 | 109.2 | C1283 G1285 V1302 F1304 I1348 F1484 L1486 F1507 | C1283-F1503 HydrophobicContact CB-CE2 4.47Å; G1285-F1503 WeakPolarHBondContact O-CD2 3.48Å; V1302-F1503 HydrophobicContact CG1-CD2 4.47Å; V1302-F1503 HydrophobicContact CG1-CE2 4.48Å; V1302-F1503 HydrophobicContact CG2-CD2 3.96Å; V1302-F1503 HydrophobicContact CG2-CE2 4.27Å; F1304-F1503 AromaticContact CE1-CE1 3.79Å; F1304-F1503 HydrophobicContact CE1-CE1 3.79Å; F1304-F1503 AromaticContact CE1-CZ 3.72Å; F1304-F1503 HydrophobicContact CE1-CZ 3.72Å; F1304-F1503 HydrophobicContact CZ-CE1 4Å; F1304-F1503 AromaticContact CZ-CE2 3.92Å; F1304-F1503 HydrophobicContact CZ-CE2 3.92Å; F1304-F1503 AromaticContact CZ-CZ 3.44Å; F1304-F1503 HydrophobicContact CZ-CZ 3.44Å; F1304-F1503 VanDerWaalsContact CZ-CZ 3.44Å; I1348-F1503 HydrophobicContact CD1-CD1 4.19Å; I1348-F1503 HydrophobicContact CD1-CE1 4.28Å; I1348-F1503 HydrophobicContact CG2-CD1 3.73Å; I1348-F1503 HydrophobicContact CG2-CE1 4.18Å; I1348-F1503 HydrophobicContact CG2-CG 4.1Å; F1484-F1503 HydrophobicContact CB-CD1 4.21Å; F1484-F1503 AromaticContact CD2-CD1 3.61Å; F1484-F1503 HydrophobicContact CD2-CD1 3.61Å; F1484-F1503 AromaticContact CD2-CE1 3.84Å; F1484-F1503 HydrophobicContact CD2-CE1 3.84Å; F1484-F1503 HydrophobicContact CE2-CD1 4.43Å; F1484-F1503 HydrophobicContact CE2-CE1 4.22Å; F1484-F1503 HydrophobicContact CG-CD1 4.28Å; F1484-F1503 PolarHBondContact N-O 2.89Å; F1484-F1503 PolarHBondContact O-N 2.87Å; L1486-F1503 HydrophobicContact CD1-CB 4.45Å; L1486-F1503 HydrophobicContact CD2-CB 4.19Å; L1486-F1503 HydrophobicContact CG-CB 4.45Å; F1503-F1507 HydrophobicContact CE1-CZ 4.45Å |
| 1504 | K | 93 | Very high | 82.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.9 | 171.2 | -80.5 | -164.2 | 175.6 | -175.1 | 0 | 110.5 | W1284 G1285 R1287 N1482 T1483 D1624 E1626 N1627 | W1284-K1504 WeakPolarHBondContact CB-O 3.32Å; W1284-K1504 PolarHBondContact N-O 2.83Å; W1284-K1504 VanDerWaalsContact N-O 3.07Å; G1285-K1504 PolarHBondContact N-O 2.66Å; G1285-K1504 PolarHBondContact O-N 3.29Å; R1287-K1504 HydrophobicContact CG-CD 4.21Å; R1287-K1504 HydrophobicContact CG-CG 4.21Å; N1482-K1504 WeakPolarHBondContact O-CA 3.42Å; T1483-K1504 HydrophobicContact CG2-CG 4.45Å; T1483-K1504 WeakPolarHBondContact OG1-CE 3.43Å; K1504-D1624 VanDerWaalsContact NZ-CG 3.28Å; K1504-D1624 IonicContact NZ-OD1 3.48Å; K1504-D1624 PolarHBondContact NZ-OD1 3.39Å; K1504-D1624 IonicContact NZ-OD2 2.72Å; K1504-D1624 PolarHBondContact NZ-OD2 2.96Å; K1504-E1626 VanDerWaalsContact CD-OE2 3.28Å; K1504-E1626 WeakPolarHBondContact CD-OE2 3.47Å; K1504-E1626 WeakPolarHBondContact CE-OE2 3.43Å; K1504-E1626 IonicContact NZ-OE2 3.16Å; K1504-E1626 PolarHBondContact NZ-OE2 2.68Å; K1504-N1627 PolarHBondContact NZ-OD1 2.92Å |
| 1505 | G | 93.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178 | 179.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1282 N1482 F1484 | L1282-G1505 CarbonylContact O-C 3.56Å; L1282-G1505 WeakPolarHBondContact O-CA 3.39Å; N1482-G1505 CarbonylContact C-O 3.57Å; N1482-G1505 WeakPolarHBondContact CA-O 3.3Å; N1482-G1505 WeakPolarHBondContact CB-O 3.45Å; N1482-G1505 PolarHBondContact N-O 3.08Å; N1482-G1505 PolarHBondContact O-N 2.87Å; N1482-G1505 VanDerWaalsContact O-O 3.05Å; F1484-G1505 WeakPolarHBondContact CE2-O 3.49Å |
| 1506 | T | 92.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 169.9 | 173.3 | -166.8 | 0 | 0 | 0 | 0 | 110.6 | L1282 F1480 N1482 R1508 F1525 | L1282-T1506 HydrophobicContact CB-CG2 4.1Å; L1282-T1506 HydrophobicContact CD2-CG2 4.21Å; L1282-T1506 PolarHBondContact N-O 3.44Å; L1282-T1506 PolarHBondContact O-N 3.06Å; L1282-T1506 VanDerWaalsContact O-N 3.12Å; F1480-T1506 VanDerWaalsContact O-CG2 3.26Å; F1480-T1506 WeakPolarHBondContact O-CG2 3.42Å; N1482-T1506 VanDerWaalsContact OD1-CB 3.26Å; N1482-T1506 WeakPolarHBondContact OD1-CB 3.22Å; N1482-T1506 PolarHBondContact OD1-OG1 3.17Å; T1506-R1508 PolarHBondContact OG1-NH1 3.4Å; T1506-R1508 VanDerWaalsContact OG1-NH1 3.16Å; T1506-F1525 HydrophobicContact CG2-CZ 3.92Å |
| 1507 | F | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.7 | -171.2 | -51 | -77.3 | 0 | 0 | 0 | 111.2 | I1279 E1280 I1281 F1304 M1346 I1348 L1367 F1373 F1484 F1503 I1509 | I1279-F1507 HydrophobicContact CG2-CD1 4.37Å; E1280-F1507 CarbonylContact O-C 3.49Å; E1280-F1507 VanDerWaalsContact O-CA 3.3Å; E1280-F1507 WeakPolarHBondContact O-CA 3.32Å; I1281-F1507 HydrophobicContact CB-CD1 4.24Å; I1281-F1507 HydrophobicContact CB-CE1 4.34Å; I1281-F1507 HydrophobicContact CD1-CE1 4.42Å; I1281-F1507 HydrophobicContact CG1-CD1 3.97Å; I1281-F1507 HydrophobicContact CG1-CE1 4.16Å; I1281-F1507 HydrophobicContact CG2-CD1 3.93Å; I1281-F1507 HydrophobicContact CG2-CE1 3.6Å; F1304-F1507 AromaticContact CD1-CE1 3.97Å; F1304-F1507 HydrophobicContact CD1-CE1 3.97Å; F1304-F1507 HydrophobicContact CD1-CZ 4.23Å; F1304-F1507 AromaticContact CE1-CE1 3.86Å; F1304-F1507 HydrophobicContact CE1-CE1 3.86Å; F1304-F1507 AromaticContact CE1-CZ 3.94Å; F1304-F1507 HydrophobicContact CE1-CZ 3.94Å; M1346-F1507 HydrophobicContact CE-CD1 3.67Å; M1346-F1507 HydrophobicContact CE-CD2 3.84Å; M1346-F1507 HydrophobicContact CE-CE1 3.32Å; M1346-F1507 HydrophobicContact CE-CE2 3.52Å; M1346-F1507 HydrophobicContact CE-CG 3.92Å; M1346-F1507 HydrophobicContact CE-CZ 3.25Å; M1346-F1507 HydrophobicContact SD-CD1 4.33Å; M1346-F1507 HydrophobicContact SD-CE1 3.85Å; M1346-F1507 HydrophobicContact SD-CZ 4.21Å; I1348-F1507 HydrophobicContact CD1-CE2 4.3Å; I1348-F1507 HydrophobicContact CD1-CZ 3.86Å; L1367-F1507 HydrophobicContact CD2-CD2 4.14Å; L1367-F1507 HydrophobicContact CD2-CE2 4.03Å; F1373-F1507 HydrophobicContact CB-CB 3.96Å; F1373-F1507 HydrophobicContact CD1-CB 3.98Å; F1373-F1507 HydrophobicContact CD1-CD2 4.09Å; F1373-F1507 HydrophobicContact CD2-CD2 4.36Å; F1373-F1507 HydrophobicContact CE1-CD2 4.1Å; F1373-F1507 HydrophobicContact CE2-CD2 4.38Å; F1373-F1507 HydrophobicContact CG-CB 3.96Å; F1373-F1507 HydrophobicContact CG-CD2 4.23Å; F1373-F1507 HydrophobicContact CZ-CD2 4.26Å; F1484-F1507 HydrophobicContact CE1-CE2 4.4Å; F1484-F1507 AromaticContact CE2-CE2 3.79Å; F1484-F1507 HydrophobicContact CE2-CE2 3.79Å; F1484-F1507 HydrophobicContact CE2-CZ 4.47Å; F1484-F1507 HydrophobicContact CZ-CD2 4.18Å; F1484-F1507 AromaticContact CZ-CE2 3.58Å; F1484-F1507 HydrophobicContact CZ-CE2 3.58Å; F1503-F1507 HydrophobicContact CE1-CZ 4.45Å; F1507-I1509 HydrophobicContact CB-CG1 4.47Å |
| 1508 | R | 90.6 | Very high | 87.8 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 116.5 | 166 | -63.4 | -65.4 | 178.9 | -87.3 | -0.2 | 108.4 | I1279 E1280 F1373 V1375 T1506 Y1524 F1525 | I1279-R1508 WeakPolarHBondContact CA-O 3.47Å; E1280-R1508 HydrophobicContact CB-CB 4.28Å; E1280-R1508 PolarHBondContact N-O 3.5Å; E1280-R1508 PolarHBondContact O-N 3.35Å; F1373-R1508 WeakPolarHBondContact O-CA 3.38Å; V1375-R1508 HydrophobicContact CG2-CB 3.88Å; V1375-R1508 HydrophobicContact CG2-CG 4.48Å; T1506-R1508 PolarHBondContact OG1-NH1 3.4Å; T1506-R1508 VanDerWaalsContact OG1-NH1 3.16Å; R1508-Y1524 HydrophobicContact CB-CD2 4.32Å; R1508-Y1524 HydrophobicContact CB-CG 4.47Å; R1508-Y1524 HydrophobicContact CG-CG 4.26Å; R1508-F1525 HydrophobicContact CG-CE1 4.18Å; R1508-F1525 HydrophobicContact CG-CE2 4.06Å; R1508-F1525 HydrophobicContact CG-CZ 3.59Å |
| 1509 | I | 91.6 | Very high | 88 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.4 | -171.3 | -55.8 | 179 | 0 | 0 | 0 | 108.5 | T1277 G1278 I1279 F1370 F1373 K1374 V1375 F1507 | T1277-I1509 HydrophobicContact CG2-CG2 3.55Å; G1278-I1509 WeakPolarHBondContact O-CA 3.49Å; I1279-I1509 HydrophobicContact CG1-CG1 4.3Å; I1279-I1509 HydrophobicContact CG1-CG2 4.46Å; I1279-I1509 HydrophobicContact CG2-CG1 4.17Å; F1370-I1509 HydrophobicContact CB-CD1 4.16Å; F1370-I1509 HydrophobicContact CD1-CD1 3.54Å; F1370-I1509 HydrophobicContact CE1-CD1 4.35Å; F1370-I1509 HydrophobicContact CG-CD1 4.23Å; F1373-I1509 HydrophobicContact CB-CD1 4.07Å; F1373-I1509 HydrophobicContact CB-CG1 4.25Å; F1373-I1509 PolarHBondContact O-N 3.01Å; K1374-I1509 WeakPolarHBondContact CA-O 3.45Å; K1374-I1509 HydrophobicContact CG-CB 4.4Å; V1375-I1509 PolarHBondContact N-O 2.97Å; F1507-I1509 HydrophobicContact CB-CG1 4.47Å |
| 1510 | Y | 90.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 151.4 | -176.5 | 57.7 | -90 | 0 | 0 | 0 | 112.2 | G1278 E1280 V1375 A1377 L1512 P1521 Y1524 | G1278-Y1510 PolarHBondContact N-O 3.25Å; G1278-Y1510 PolarHBondContact O-N 3.36Å; E1280-Y1510 HydrophobicContact CG-CE1 3.96Å; E1280-Y1510 WeakPolarHBondContact OE1-CE1 3.45Å; E1280-Y1510 PolarHBondContact OE1-OH 2.85Å; V1375-Y1510 HydrophobicContact CG2-CD1 4.09Å; V1375-Y1510 WeakPolarHBondContact O-CB 3.35Å; A1377-Y1510 HydrophobicContact CB-CD2 4.15Å; Y1510-L1512 HydrophobicContact CD2-CD2 4.08Å; Y1510-L1512 HydrophobicContact CE2-CD2 3.58Å; Y1510-P1521 HydrophobicContact CD2-CB 4.49Å; Y1510-P1521 HydrophobicContact CD2-CG 4.38Å; Y1510-P1521 HydrophobicContact CE2-CB 3.97Å; Y1510-P1521 HydrophobicContact CE2-CG 4.05Å; Y1510-Y1524 HydrophobicContact CD1-CD2 4.31Å; Y1510-Y1524 HydrophobicContact CD1-CE2 4.35Å; Y1510-Y1524 HydrophobicContact CE1-CD2 4.2Å |
| 1511 | P | 89.3 | Confident | 87.7 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 144.1 | 178.7 | 28 | -35.5 | 0 | 0 | 0 | 112.2 | Q1275 | Q1275-P1511 HydrophobicContact CG-CB 4.45Å |
| 1512 | L | 89.8 | Confident | 87.2 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | trans | -105.9 | 159.1 | 173 | -60.7 | 179.1 | 0 | 0 | 0 | 110.9 | R1276 F1331 D1333 Y1510 L1520 P1521 | R1276-L1512 HydrophobicContact CB-CB 4.43Å; R1276-L1512 HydrophobicContact CG-CB 4.07Å; R1276-L1512 HydrophobicContact CG-CD1 4.2Å; R1276-L1512 PolarHBondContact O-N 3.45Å; F1331-L1512 HydrophobicContact CZ-CD1 4.12Å; D1333-L1512 HydrophobicContact CB-CD1 4.35Å; Y1510-L1512 HydrophobicContact CD2-CD2 4.08Å; Y1510-L1512 HydrophobicContact CE2-CD2 3.58Å; L1512-L1520 HydrophobicContact CD1-CD2 4.27Å; L1512-L1520 HydrophobicContact CD2-CD2 4.18Å; L1512-P1521 HydrophobicContact CD2-CG 4.21Å | ||
| 1513 | P | 86.1 | Confident | 86.6 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | trans | -55.6 | 143.5 | 169.8 | -25.6 | 34.9 | 0 | 0 | 0 | 112.9 | R1276 E1518 | R1276-P1513 WeakPolarHBondContact CD-O 3.39Å; R1276-P1513 PolarHBondContact NH1-O 3.41Å; P1513-E1518 HydrophobicContact CB-CB 3.8Å; P1513-E1518 WeakPolarHBondContact CB-OE2 3.36Å; P1513-E1518 HydrophobicContact CG-CB 4.25Å | ||
| 1514 | E | 80.7 | Confident | 85.9 | Confident | 154 Ų | 154 | 60.6 Ų | 60.6 | 72% | 0.72 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -68 | -36 | -178.1 | -66.8 | -171.2 | 167 | 0 | 0 | 112.6 | P1516 | E1514-P1516 WeakPolarHBondContact O-CD 3.24Š|
| 1515 | D | 82.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -79 | 121.4 | 172.1 | -171 | -14.5 | 0 | 0 | 0 | 110.7 | R1276 K1517 E1518 | R1276-D1515 PolarHBondContact NH1-O 2.78Å; D1515-K1517 PolarHBondContact O-N 2.95Å; D1515-K1517 WeakPolarHBondContact OD1-CB 2.83Å; D1515-K1517 WeakPolarHBondContact OD1-CG 2.91Å; D1515-K1517 PolarHBondContact OD1-N 3.16Å; D1515-E1518 HydrophobicContact CB-CG 4.25Å; D1515-E1518 PolarHBondContact O-N 3.1Å; D1515-E1518 VanDerWaalsContact O-N 3.13Å |
| 1516 | P | 78.8 | Confident | 84.1 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15.4 | 172.3 | -25.7 | 37 | 0 | 0 | 0 | 115.8 | E1514 | E1514-P1516 WeakPolarHBondContact O-CD 3.24Š|
| 1517 | K | 83.7 | Confident | 82.9 | Confident | 184 Ų | 184 | 76 Ų | 76 | 80% | 0.8 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -16.3 | 178.5 | -59.5 | 167.6 | -171.9 | 161.2 | 0 | 113.8 | D1515 | D1515-K1517 PolarHBondContact O-N 2.95Å; D1515-K1517 WeakPolarHBondContact OD1-CB 2.83Å; D1515-K1517 WeakPolarHBondContact OD1-CG 2.91Å; D1515-K1517 PolarHBondContact OD1-N 3.16Å |
| 1518 | E | 83.5 | Confident | 81.9 | Confident | 118 Ų | 118 | 78.6 Ų | 78.6 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -69.1 | 152.5 | 174.9 | -80.4 | -173.4 | -163.7 | 0 | 0 | 111.2 | P1513 D1515 L1520 | P1513-E1518 HydrophobicContact CB-CB 3.8Å; P1513-E1518 WeakPolarHBondContact CB-OE2 3.36Å; P1513-E1518 HydrophobicContact CG-CB 4.25Å; D1515-E1518 HydrophobicContact CB-CG 4.25Å; D1515-E1518 PolarHBondContact O-N 3.1Å; D1515-E1518 VanDerWaalsContact O-N 3.13Å; E1518-L1520 PolarHBondContact O-N 2.9Å |
| 1519 | Q | 78.8 | Confident | 80.9 | Confident | 186 Ų | 186 | 81 Ų | 81 | 87% | 0.869 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 123.8 | -178.2 | -173.1 | 169.3 | -7.4 | 0 | 0 | 109.9 | ||
| 1520 | L | 82.6 | Confident | 80.1 | Confident | 67 Ų | 67 | 82.5 Ų | 82.5 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 147.5 | 178.6 | -63.6 | 176.1 | 0 | 0 | 0 | 111.2 | L1512 E1518 | L1512-L1520 HydrophobicContact CD1-CD2 4.27Å; L1512-L1520 HydrophobicContact CD2-CD2 4.18Å; E1518-L1520 PolarHBondContact O-N 2.9Å |
| 1521 | P | 81.6 | Confident | 79.7 | Confident | 25 Ų | 25 | 85.8 Ų | 85.8 | 16% | 0.162 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 153.9 | 171.2 | -25.1 | 34.5 | 0 | 0 | 0 | 112.6 | A1377 Y1510 L1512 R1523 | A1377-P1521 HydrophobicContact CB-CB 4.28Å; A1377-P1521 HydrophobicContact CB-CG 3.97Å; Y1510-P1521 HydrophobicContact CD2-CB 4.49Å; Y1510-P1521 HydrophobicContact CD2-CG 4.38Å; Y1510-P1521 HydrophobicContact CE2-CB 3.97Å; Y1510-P1521 HydrophobicContact CE2-CG 4.05Å; L1512-P1521 HydrophobicContact CD2-CG 4.21Å; P1521-R1523 PolarHBondContact O-N 3.18Å |
| 1522 | I | 80.1 | Confident | 79.3 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 26% | 0.256 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -66 | 129 | 178.4 | -59.8 | 172.5 | 0 | 0 | 0 | 108.3 | R1378 Q1381 | R1378-I1522 WeakPolarHBondContact CB-O 3.22Å; R1378-I1522 WeakPolarHBondContact CD-O 3.49Å; R1378-I1522 HydrophobicContact CG-CB 4.21Å; R1378-I1522 PolarHBondContact O-N 2.79Å; R1378-I1522 VanDerWaalsContact O-N 3.16Å; Q1381-I1522 HydrophobicContact CG-CD1 4Å |
| 1523 | R | 82.9 | Confident | 79.2 | Confident | 106 Ų | 106 | 89 Ų | 89 | 40% | 0.4 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 145.2 | -177.9 | -73.5 | -174.4 | -177.2 | 171.5 | 1.4 | 112 | E1280 F1331 R1378 P1521 E1526 | E1280-R1523 HydrophobicContact CG-CG 4.45Å; E1280-R1523 WeakPolarHBondContact OE1-CA 3.14Å; E1280-R1523 WeakPolarHBondContact OE2-CB 3.34Å; F1331-R1523 VanDerWaalsContact CD1-NH2 3.27Å; R1378-R1523 PolarHBondContact NH1-O 2.86Å; P1521-R1523 PolarHBondContact O-N 3.18Å; R1523-E1526 HydrophobicContact CB-CB 4.29Å |
| 1524 | Y | 78.9 | Confident | 79.4 | Confident | 56 Ų | 56 | 89.6 Ų | 89.6 | 22% | 0.22 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -44.9 | 169.5 | -80.7 | -87.4 | 0 | 0 | 0 | 110.3 | E1280 V1375 P1376 R1378 R1508 Y1510 E1526 | E1280-Y1524 VanDerWaalsContact CD-N 3.34Å; E1280-Y1524 PolarHBondContact OE1-N 2.95Å; E1280-Y1524 PolarHBondContact OE2-N 3Å; E1280-Y1524 VanDerWaalsContact OE2-N 3.12Å; V1375-Y1524 HydrophobicContact CB-CE2 4.24Å; V1375-Y1524 HydrophobicContact CG2-CD2 4.04Å; V1375-Y1524 HydrophobicContact CG2-CE2 3.51Å; P1376-Y1524 WeakPolarHBondContact O-CE2 3.49Å; P1376-Y1524 PolarHBondContact O-OH 2.79Å; R1378-Y1524 HydrophobicContact CB-CE2 4.01Å; R1508-Y1524 HydrophobicContact CB-CD2 4.32Å; R1508-Y1524 HydrophobicContact CB-CG 4.47Å; R1508-Y1524 HydrophobicContact CG-CG 4.26Å; Y1510-Y1524 HydrophobicContact CD1-CD2 4.31Å; Y1510-Y1524 HydrophobicContact CD1-CE2 4.35Å; Y1510-Y1524 HydrophobicContact CE1-CD2 4.2Å; Y1524-E1526 PolarHBondContact O-N 2.77Å |
| 1525 | F | 79 | Confident | 79.9 | Confident | 29 Ų | 29 | 85 Ų | 85 | 13% | 0.127 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 63.8 | 174.1 | -45.2 | -43.7 | 0 | 0 | 0 | 110.8 | E1280 L1282 L1329 T1506 R1508 | E1280-F1525 HydrophobicContact CB-CD2 3.73Å; E1280-F1525 HydrophobicContact CB-CE2 3.96Å; E1280-F1525 WeakPolarHBondContact OE2-CB 3.33Å; E1280-F1525 PolarHBondContact OE2-N 2.68Å; L1282-F1525 HydrophobicContact CB-CD2 4.19Å; L1282-F1525 HydrophobicContact CB-CE2 3.86Å; L1282-F1525 HydrophobicContact CB-CZ 4.07Å; L1329-F1525 HydrophobicContact CD1-CB 4.36Å; L1329-F1525 WeakPolarHBondContact CD1-O 3.35Å; L1329-F1525 HydrophobicContact CD2-CB 3.64Å; L1329-F1525 HydrophobicContact CD2-CD2 4.48Å; L1329-F1525 HydrophobicContact CD2-CG 4.23Å; T1506-F1525 HydrophobicContact CG2-CZ 3.92Å; R1508-F1525 HydrophobicContact CG-CE1 4.18Å; R1508-F1525 HydrophobicContact CG-CE2 4.06Å; R1508-F1525 HydrophobicContact CG-CZ 3.59Å |
| 1526 | E | 69.6 | Low | 80.5 | Confident | 112 Ų | 112 | 85.6 Ų | 85.6 | 52% | 0.523 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -84.3 | -39.8 | 173.7 | -167.3 | 179.9 | -174.8 | 0 | 0 | 112.2 | R1523 Y1524 | R1523-E1526 HydrophobicContact CB-CB 4.29Å; Y1524-E1526 PolarHBondContact O-N 2.77Å |
| 1527 | K | 66.9 | Low | 81.2 | Confident | 186 Ų | 186 | 80.9 Ų | 80.9 | 81% | 0.809 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -141.6 | 123.5 | 174.8 | -66.3 | -179.5 | -175.7 | 171.8 | 0 | 109.5 | ||
| 1528 | L | 73.6 | Confident | 81.7 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 28% | 0.283 | 37% | 0.373 | S | S | . | . | trans | -77.4 | 134.4 | 169.7 | -67.1 | 170.8 | 0 | 0 | 0 | 109.5 | L1282 W1284 P1328 L1329 F1480 V1530 | L1282-L1528 HydrophobicContact CD1-CD1 4.09Å; L1282-L1528 HydrophobicContact CD1-CD2 4.1Å; W1284-L1528 HydrophobicContact CZ3-CD1 4.27Å; P1328-L1528 HydrophobicContact CG-CD1 3.82Å; L1329-L1528 HydrophobicContact CD1-CD1 4.36Å; L1329-L1528 HydrophobicContact CD1-CG 4.26Å; L1329-L1528 HydrophobicContact CD2-CD1 3.92Å; L1329-L1528 HydrophobicContact CD2-CD2 4.29Å; L1329-L1528 HydrophobicContact CD2-CG 4.13Å; L1329-L1528 HydrophobicContact CG-CD1 4.15Å; L1329-L1528 HydrophobicContact CG-CG 4.49Å; F1480-L1528 HydrophobicContact CE2-CD2 4.24Å; F1480-L1528 HydrophobicContact CZ-CD2 4.46Å; L1528-V1530 PolarHBondContact O-N 2.93Å | ||
| 1529 | S | 67.7 | Low | 82.2 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -80.2 | -2.5 | 172.8 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1530 | V | 75.4 | Confident | 83 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -127.6 | 138 | -174.9 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | F1480 L1528 L1630 | F1480-V1530 HydrophobicContact CE2-CG2 4.49Å; L1528-V1530 PolarHBondContact O-N 2.93Å; V1530-L1630 HydrophobicContact CG1-CD2 3.74Å; V1530-L1630 HydrophobicContact CG2-CD2 4.47Å |
| 1531 | S | 81 | Confident | 83.6 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | trans | -74.7 | 149 | 173.4 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | W1284 D1533 | W1284-S1531 WeakPolarHBondContact CH2-O 3.47Å; S1531-D1533 VanDerWaalsContact C-N 3.33Å; S1531-D1533 PolarHBondContact OG-N 3.36Å; S1531-D1533 PolarHBondContact OG-OD2 2.83Å | ||
| 1532 | S | 82.4 | Confident | 84.3 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -85.1 | -4.6 | 170.8 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | N1322 N1324 F1325 | N1322-S1532 PolarHBondContact ND2-O 2.84Å; N1322-S1532 PolarHBondContact OD1-O 3.01Å; N1324-S1532 WeakPolarHBondContact CB-O 3.4Å; N1324-S1532 PolarHBondContact ND2-O 3.03Å; F1325-S1532 PolarHBondContact O-OG 3.5Å |
| 1533 | D | 87.9 | Confident | 85.1 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 60% | 0.599 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -70.1 | 144.3 | 171.9 | -68.3 | -49.4 | 0 | 0 | 0 | 111.5 | S1531 | S1531-D1533 VanDerWaalsContact C-N 3.33Å; S1531-D1533 PolarHBondContact OG-N 3.36Å; S1531-D1533 PolarHBondContact OG-OD2 2.83Å |
| 1534 | P | 90.6 | Very high | 85.6 | Confident | 41 Ų | 41 | 48 Ų | 48 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | trans | -65.5 | 137.8 | 177.8 | -18.7 | 32.9 | 0 | 0 | 0 | 112 | N1322 I1595 L1596 I1598 | N1322-P1534 HydrophobicContact CB-CG 3.94Å; P1534-I1595 HydrophobicContact CB-CG2 3.56Å; P1534-L1596 CarbonylContact C-O 3.6Å; P1534-L1596 WeakPolarHBondContact CA-O 3.12Å; P1534-I1598 HydrophobicContact CB-CD1 4.09Å; P1534-I1598 HydrophobicContact CB-CG1 4.26Å; P1534-I1598 HydrophobicContact CG-CD1 4.11Å; P1534-I1598 HydrophobicContact CG-CG1 4.35Å | ||
| 1535 | E | 90.6 | Very high | 86.3 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.7 | -177.7 | -174.2 | 168.6 | -124.9 | 0 | 0 | 110.5 | L1596 R1629 P1757 S1759 | E1535-L1596 PolarHBondContact N-O 3.47Å; E1535-L1596 PolarHBondContact O-N 2.79Å; E1535-R1629 IonicContact OE1-NH2 3.29Å; E1535-R1629 IonicContact OE2-CZ 3.33Å; E1535-R1629 VanDerWaalsContact OE2-CZ 3.23Å; E1535-R1629 IonicContact OE2-NE 2.68Å; E1535-R1629 PolarHBondContact OE2-NE 3.39Å; E1535-R1629 IonicContact OE2-NH2 2.88Å; E1535-R1629 PolarHBondContact OE2-NH2 2.91Å; E1535-P1757 HydrophobicContact CG-CB 4.24Å; E1535-P1757 WeakPolarHBondContact OE2-CG 3.48Å; E1535-S1759 PolarHBondContact OE1-OG 3.08Å |
| 1536 | E | 94.2 | Very high | 87 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 119.7 | 172 | -172.8 | -170.9 | 175.9 | 0 | 0 | 109.3 | K1593 T1758 | E1536-K1593 VanDerWaalsContact OE1-CD 3.26Å; E1536-K1593 WeakPolarHBondContact OE1-CD 3.45Å; E1536-K1593 VanDerWaalsContact OE1-CE 3.32Å; E1536-K1593 WeakPolarHBondContact OE1-CE 3.32Å; E1536-K1593 IonicContact OE1-NZ 2.74Å; E1536-K1593 PolarHBondContact OE1-NZ 2.98Å; E1536-T1758 HydrophobicContact CB-CG2 4.48Å; E1536-T1758 HydrophobicContact CG-CG2 4Å; E1536-T1758 WeakPolarHBondContact O-CG2 3.4Å; E1536-T1758 PolarHBondContact O-N 3.35Å; E1536-T1758 PolarHBondContact O-OG1 2.93Å |
| 1537 | C | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.8 | -178.8 | -72.6 | 0 | 0 | 0 | 0 | 110.6 | K1593 C1594 L1596 I1755 F1756 | C1537-K1593 CarbonylContact O-C 3.42Å; C1537-K1593 WeakPolarHBondContact O-CA 3.42Å; C1537-C1594 PolarHBondContact N-O 3.16Å; C1537-C1594 PolarHBondContact O-N 3.41Å; C1537-L1596 HydrophobicContact CB-CD1 4.38Å; C1537-L1596 HydrophobicContact CB-CG 4.49Å; C1537-I1755 HydrophobicContact CB-CG2 4.08Å; C1537-F1756 CarbonylContact C-O 3.16Å; C1537-F1756 WeakPolarHBondContact CA-O 3.18Å |
| 1538 | M | 94.7 | Very high | 88.9 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 17% | 0.167 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 117.9 | 163 | -169.9 | 72.1 | 69.6 | 0 | 0 | 108.5 | Q1591 K1593 F1756 | M1538-Q1591 HydrophobicContact CG-CG 3.91Å; M1538-Q1591 HydrophobicContact SD-CG 3.58Å; M1538-Q1591 VanDerWaalsContact SD-CG 3.58Å; M1538-Q1591 PolarHBondContact SD-NE2 2.68Å; M1538-Q1591 VanDerWaalsContact SD-NE2 3.35Å; M1538-K1593 HydrophobicContact CE-CD 4.37Å; M1538-K1593 HydrophobicContact CE-CG 3.89Å; M1538-K1593 HydrophobicContact SD-CG 3.85Å; M1538-F1756 HydrophobicContact CB-CB 4.39Å; M1538-F1756 PolarHBondContact N-O 2.77Å; M1538-F1756 PolarHBondContact O-N 3.44Å |
| 1539 | L | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.6 | 176.3 | -168.7 | 74.6 | 0 | 0 | 0 | 109.4 | V1541 V1566 Q1591 M1592 L1602 L1625 V1753 I1755 | L1539-V1541 HydrophobicContact CD2-CG2 3.56Å; L1539-V1541 HydrophobicContact CG-CG2 3.82Å; L1539-V1566 HydrophobicContact CD2-CG2 3.77Å; L1539-Q1591 WeakPolarHBondContact O-CA 3.27Å; L1539-M1592 HydrophobicContact CB-CG 4.08Å; L1539-M1592 HydrophobicContact CD2-CG 4.02Å; L1539-M1592 HydrophobicContact CD2-SD 4.23Å; L1539-M1592 PolarHBondContact N-O 3.04Å; L1539-M1592 PolarHBondContact O-N 2.98Å; L1539-L1602 HydrophobicContact CD2-CD1 4.3Å; L1539-L1602 HydrophobicContact CD2-CD2 4.39Å; L1539-L1625 HydrophobicContact CD1-CD1 3.87Å; L1539-L1625 HydrophobicContact CD1-CD2 3.82Å; L1539-L1625 HydrophobicContact CD2-CD1 4.19Å; L1539-V1753 HydrophobicContact CD1-CG1 3.41Å; L1539-V1753 VanDerWaalsContact CD1-CG1 3.41Å; L1539-V1753 HydrophobicContact CG-CG1 4.22Å; L1539-I1755 HydrophobicContact CD1-CG1 3.98Å |
| 1540 | R | 94.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 5% | 0.045 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.8 | 163.5 | -68.6 | -175.8 | 179.1 | 151.3 | -6.8 | 109.2 | Y1542 M1589 F1590 Q1591 D1754 F1756 G1764 | R1540-Y1542 HydrophobicContact CB-CD2 4.31Å; R1540-Y1542 HydrophobicContact CB-CE2 3.66Å; R1540-M1589 HydrophobicContact CB-SD 4.27Å; R1540-M1589 HydrophobicContact CG-SD 4.09Å; R1540-F1590 WeakPolarHBondContact CA-O 3.27Å; R1540-Q1591 HydrophobicContact CG-CB 4.27Å; R1540-Q1591 HydrophobicContact CG-CG 3.99Å; R1540-D1754 HydrophobicContact CB-CB 4.38Å; R1540-D1754 PolarHBondContact N-O 3.37Å; R1540-D1754 PolarHBondContact O-N 3.15Å; R1540-F1756 HydrophobicContact CG-CE2 4.34Å; R1540-G1764 VanDerWaalsContact CZ-O 3.29Å; R1540-G1764 PolarHBondContact NH1-O 2.98Å; R1540-G1764 PolarHBondContact NH2-O 3.37Å |
| 1541 | V | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.3 | 175.5 | -171.2 | 0 | 0 | 0 | 0 | 108.5 | L1539 I1543 I1564 M1589 F1590 L1602 M1751 V1753 | L1539-V1541 HydrophobicContact CD2-CG2 3.56Å; L1539-V1541 HydrophobicContact CG-CG2 3.82Å; V1541-I1543 HydrophobicContact CG1-CD1 3.65Å; V1541-I1543 HydrophobicContact CG1-CG1 4.29Å; V1541-I1564 HydrophobicContact CB-CD1 3.84Å; V1541-I1564 HydrophobicContact CG1-CD1 3.75Å; V1541-I1564 HydrophobicContact CG2-CD1 4.4Å; V1541-M1589 WeakPolarHBondContact O-CA 3.17Å; V1541-F1590 PolarHBondContact N-O 2.94Å; V1541-F1590 PolarHBondContact O-N 2.94Å; V1541-L1602 HydrophobicContact CG2-CD1 4.08Å; V1541-L1602 HydrophobicContact CG2-CD2 3.89Å; V1541-M1751 HydrophobicContact CG1-CE 3.78Å; V1541-V1753 HydrophobicContact CG1-CG2 4.34Å; V1541-V1753 HydrophobicContact CG2-CG1 4.44Å |
| 1542 | Y | 96.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117 | 179.6 | -63.8 | -101.4 | 0 | 0 | 0 | 109 | R1540 M1589 M1751 W1752 D1754 P1766 F1767 I1769 | R1540-Y1542 HydrophobicContact CB-CD2 4.31Å; R1540-Y1542 HydrophobicContact CB-CE2 3.66Å; Y1542-M1589 HydrophobicContact CD1-CB 3.67Å; Y1542-M1589 HydrophobicContact CD1-CG 3.49Å; Y1542-M1589 VanDerWaalsContact CD1-CG 3.49Å; Y1542-M1589 HydrophobicContact CD2-CG 4.35Å; Y1542-M1589 HydrophobicContact CE1-CB 3.86Å; Y1542-M1589 HydrophobicContact CE1-CG 3.32Å; Y1542-M1589 HydrophobicContact CE2-CG 4.23Å; Y1542-M1589 HydrophobicContact CG-CB 4.38Å; Y1542-M1589 HydrophobicContact CG-CG 4.04Å; Y1542-M1751 CarbonylContact O-C 3.46Å; Y1542-M1751 WeakPolarHBondContact O-CA 3.02Å; Y1542-M1751 WeakPolarHBondContact O-CB 3.27Å; Y1542-W1752 AromaticContact CD1-CH2 3.67Å; Y1542-W1752 HydrophobicContact CD1-CH2 3.67Å; Y1542-W1752 AromaticContact CD1-CZ2 3.35Å; Y1542-W1752 HydrophobicContact CD1-CZ2 3.35Å; Y1542-W1752 AromaticContact CD2-CD1 3.95Å; Y1542-W1752 HydrophobicContact CD2-CD2 4.07Å; Y1542-W1752 AromaticContact CD2-CE2 3.31Å; Y1542-W1752 HydrophobicContact CD2-CG 4.42Å; Y1542-W1752 HydrophobicContact CD2-CH2 4.38Å; Y1542-W1752 AromaticContact CD2-CZ2 3.5Å; Y1542-W1752 HydrophobicContact CD2-CZ2 3.5Å; Y1542-W1752 VanDerWaalsContact CD2-CZ2 3.5Å; Y1542-W1752 AromaticContact CD2-NE1 3.22Å; Y1542-W1752 HydrophobicContact CE1-CH2 4.38Å; Y1542-W1752 AromaticContact CE1-CZ2 3.76Å; Y1542-W1752 HydrophobicContact CE1-CZ2 3.76Å; Y1542-W1752 AromaticContact CE2-CE2 3.84Å; Y1542-W1752 AromaticContact CE2-CZ2 3.88Å; Y1542-W1752 HydrophobicContact CE2-CZ2 3.88Å; Y1542-W1752 AromaticContact CE2-NE1 3.48Å; Y1542-W1752 HydrophobicContact CG-CD2 4.06Å; Y1542-W1752 AromaticContact CG-CE2 3.41Å; Y1542-W1752 VanDerWaalsContact CG-CE2 3.41Å; Y1542-W1752 HydrophobicContact CG-CE3 4.4Å; Y1542-W1752 AromaticContact CG-CH2 3.65Å; Y1542-W1752 HydrophobicContact CG-CH2 3.65Å; Y1542-W1752 AromaticContact CG-CZ2 3.18Å; Y1542-W1752 HydrophobicContact CG-CZ2 3.18Å; Y1542-W1752 HydrophobicContact CG-CZ3 4.23Å; Y1542-W1752 AromaticContact CG-NE1 3.86Å; Y1542-W1752 AromaticContact CZ-CZ2 3.99Å; Y1542-W1752 PolarHBondContact N-O 3.46Å; Y1542-W1752 PolarHBondContact O-N 2.96Å; Y1542-D1754 HydrophobicContact CE2-CB 4.47Å; Y1542-D1754 WeakPolarHBondContact CE2-OD2 3.34Å; Y1542-P1766 HydrophobicContact CE1-CB 4.49Å; Y1542-P1766 WeakPolarHBondContact OH-CA 3.26Å; Y1542-F1767 HydrophobicContact CE1-CB 4.11Å; Y1542-F1767 PolarHBondContact OH-N 3.41Å; Y1542-I1769 HydrophobicContact CD1-CD1 3.97Å; Y1542-I1769 HydrophobicContact CD1-CG1 4.37Å |
| 1543 | I | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 114.5 | 178.5 | -48.4 | -62.5 | 0 | 0 | 0 | 108.3 | V1541 V1562 I1564 F1586 G1587 K1588 F1590 V1604 L1749 M1751 | V1541-I1543 HydrophobicContact CG1-CD1 3.65Å; V1541-I1543 HydrophobicContact CG1-CG1 4.29Å; I1543-V1562 HydrophobicContact CG1-CG1 4.27Å; I1543-V1562 HydrophobicContact CG2-CG2 4.05Å; I1543-I1564 HydrophobicContact CD1-CD1 4.46Å; I1543-I1564 HydrophobicContact CG1-CD1 4.24Å; I1543-F1586 HydrophobicContact CG2-CB 4.31Å; I1543-F1586 HydrophobicContact CG2-CD2 3.69Å; I1543-F1586 HydrophobicContact CG2-CE2 4.38Å; I1543-F1586 HydrophobicContact CG2-CG 4.3Å; I1543-G1587 PolarHBondContact O-N 3.49Å; I1543-K1588 PolarHBondContact N-O 2.8Å; I1543-K1588 PolarHBondContact O-N 2.65Å; I1543-F1590 HydrophobicContact CG1-CD2 4.33Å; I1543-F1590 HydrophobicContact CG1-CE2 4.1Å; I1543-V1604 HydrophobicContact CD1-CG1 3.93Å; I1543-L1749 HydrophobicContact CD1-CD2 4.3Å; I1543-L1749 HydrophobicContact CG2-CD1 3.74Å; I1543-L1749 HydrophobicContact CG2-CD2 4.45Å; I1543-L1749 HydrophobicContact CG2-CG 4.28Å; I1543-M1751 HydrophobicContact CD1-CB 3.78Å; I1543-M1751 HydrophobicContact CD1-CE 4.09Å; I1543-M1751 HydrophobicContact CD1-SD 4.05Å |
| 1544 | I | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -64.6 | -173.6 | -55.2 | 156.6 | 0 | 0 | 0 | 108.9 | W1436 W1437 F1440 E1585 F1586 G1587 V1731 Q1750 W1752 | W1436-I1544 HydrophobicContact CH2-CD1 3.73Å; W1436-I1544 HydrophobicContact CH2-CG1 3.73Å; W1436-I1544 HydrophobicContact CH2-CG2 4.1Å; W1436-I1544 HydrophobicContact CZ2-CD1 4.38Å; W1436-I1544 HydrophobicContact CZ3-CG1 4.35Å; W1436-I1544 HydrophobicContact CZ3-CG2 4.08Å; W1437-I1544 HydrophobicContact CH2-CG2 3.55Å; W1437-I1544 HydrophobicContact CZ2-CG2 4.32Å; W1437-I1544 HydrophobicContact CZ3-CG2 3.91Å; F1440-I1544 HydrophobicContact CE2-CD1 4.37Å; I1544-E1585 CarbonylContact O-C 3.25Å; I1544-F1586 PolarHBondContact O-N 3.04Å; I1544-G1587 PolarHBondContact O-N 2.94Å; I1544-V1731 HydrophobicContact CD1-CB 4.07Å; I1544-V1731 HydrophobicContact CD1-CG1 3.33Å; I1544-V1731 HydrophobicContact CD1-CG2 3.53Å; I1544-Q1750 HydrophobicContact CB-CB 4.44Å; I1544-Q1750 WeakPolarHBondContact CB-O 3.45Å; I1544-Q1750 HydrophobicContact CD1-CB 4.27Å; I1544-Q1750 PolarHBondContact N-O 3.38Å; I1544-W1752 HydrophobicContact CD1-CE3 3.96Å; I1544-W1752 HydrophobicContact CD1-CZ3 3.8Å; I1544-W1752 HydrophobicContact CG1-CE3 4.22Å; I1544-W1752 HydrophobicContact CG1-CZ3 3.74Å |
| 1545 | R | 94 | Very high | 87.8 | Confident | 50 Ų | 50 | 24.5 Ų | 24.5 | 19% | 0.189 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 155.1 | -177.4 | 64.3 | -178.8 | 178.9 | 175 | 3.3 | 111.5 | I1547 P1584 E1585 Q1750 | R1545-I1547 HydrophobicContact CG-CG1 4.46Å; R1545-P1584 CarbonylContact C-O 3.58Å; R1545-P1584 WeakPolarHBondContact CA-O 3.44Å; R1545-P1584 WeakPolarHBondContact CB-O 3.42Å; R1545-E1585 HydrophobicContact CB-CG 4.29Å; R1545-Q1750 HydrophobicContact CG-CB 4.26Å; R1545-Q1750 HydrophobicContact CG-CG 4.5Å; R1545-Q1750 PolarHBondContact O-N 2.92Å |
| 1546 | A | 93.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 158.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1549 N1583 P1584 F1586 K1748 L1749 | A1546-L1549 HydrophobicContact CB-CD1 3.84Å; A1546-L1549 HydrophobicContact CB-CD2 3.62Å; A1546-L1549 HydrophobicContact CB-CG 3.62Å; A1546-N1583 CarbonylContact O-C 3.58Å; A1546-N1583 WeakPolarHBondContact O-CA 3.5Å; A1546-P1584 HydrophobicContact CB-CG 3.82Å; A1546-P1584 PolarHBondContact N-O 3.1Å; A1546-F1586 HydrophobicContact CB-CE2 3.94Å; A1546-K1748 CarbonylContact C-O 3.36Å; A1546-K1748 WeakPolarHBondContact CA-O 3.36Å; A1546-K1748 WeakPolarHBondContact CB-O 3.48Å; A1546-L1749 HydrophobicContact CB-CD1 3.91Å |
| 1547 | I | 89.5 | Confident | 85.9 | Confident | 37 Ų | 37 | 19 Ų | 19 | 19% | 0.19 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.7 | -177.9 | -54.6 | 173.2 | 0 | 0 | 0 | 107.4 | R1545 L1549 N1583 K1748 Q1750 | R1545-I1547 HydrophobicContact CG-CG1 4.46Å; I1547-L1549 VanDerWaalsContact C-N 3.31Å; I1547-L1549 PolarHBondContact O-N 3.02Å; I1547-N1583 WeakPolarHBondContact CA-OD1 3.19Å; I1547-K1748 HydrophobicContact CB-CB 4.44Å; I1547-K1748 PolarHBondContact N-O 3.45Å; I1547-K1748 PolarHBondContact O-N 3.08Å; I1547-Q1750 HydrophobicContact CD1-CG 3.93Å |
| 1548 | D | 86.2 | Confident | 85.4 | Confident | 100 Ų | 100 | 19 Ų | 19 | 54% | 0.535 | 10% | 0.102 | S | C | . | . | S | Bend | trans | 46.6 | 50.7 | 177.3 | -53.1 | -33.9 | 0 | 0 | 0 | 113.1 | L1582 N1583 G1747 | D1548-L1582 PolarHBondContact N-O 3.26Å; D1548-N1583 PolarHBondContact N-OD1 3.36Å; D1548-N1583 PolarHBondContact OD1-ND2 3.35Å; D1548-G1747 WeakPolarHBondContact O-CA 3.25Å |
| 1549 | L | 87.4 | Confident | 85.1 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | trans | -55.7 | 157.2 | 172.2 | -73.5 | 179.1 | 0 | 0 | 0 | 111.6 | A1546 I1547 P1551 P1560 L1582 P1584 V1606 I1618 L1736 | A1546-L1549 HydrophobicContact CB-CD1 3.84Å; A1546-L1549 HydrophobicContact CB-CD2 3.62Å; A1546-L1549 HydrophobicContact CB-CG 3.62Å; I1547-L1549 VanDerWaalsContact C-N 3.31Å; I1547-L1549 PolarHBondContact O-N 3.02Å; L1549-P1551 WeakPolarHBondContact O-CD 3.27Å; L1549-P1560 HydrophobicContact CD1-CB 3.79Å; L1549-P1560 HydrophobicContact CD1-CG 4.08Å; L1549-L1582 HydrophobicContact CB-CB 4.34Å; L1549-L1582 HydrophobicContact CB-CD2 4.12Å; L1549-L1582 WeakPolarHBondContact CB-O 3.18Å; L1549-L1582 PolarHBondContact N-O 3.22Å; L1549-L1582 WeakPolarHBondContact O-CD2 3.14Å; L1549-P1584 HydrophobicContact CD1-CG 3.67Å; L1549-V1606 HydrophobicContact CD1-CG1 3.88Å; L1549-V1606 HydrophobicContact CD2-CB 4.44Å; L1549-V1606 HydrophobicContact CD2-CG1 4.09Å; L1549-I1618 HydrophobicContact CB-CG2 4.29Å; L1549-I1618 HydrophobicContact CD1-CD1 4.32Å; L1549-I1618 HydrophobicContact CD2-CG2 4.22Å; L1549-L1736 HydrophobicContact CD2-CD1 3.62Å | ||
| 1550 | Q | 80.5 | Confident | 85 | Confident | 19 Ų | 19 | 18 Ų | 18 | 9% | 0.089 | 10% | 0.098 | C | C | . | . | trans | -77.5 | 118.7 | 171.7 | 178.3 | 159.6 | -57.3 | 0 | 0 | 112.3 | N253 S1552 I1618 Q1746 | N253-Q1550 HydrophobicContact CB-CG 4.49Å; N253-Q1550 WeakPolarHBondContact ND2-CG 3.42Å; N253-Q1550 PolarHBondContact ND2-OE1 3.14Å; N253-Q1550 PolarHBondContact OD1-OE1 3.42Å; Q1550-S1552 PolarHBondContact O-N 3.48Å; Q1550-S1552 PolarHBondContact O-OG 3.01Å; Q1550-I1618 HydrophobicContact CB-CG2 3.99Å; Q1550-I1618 VanDerWaalsContact O-CG2 3.31Å; Q1550-I1618 WeakPolarHBondContact O-CG2 3.21Å; Q1550-Q1746 HydrophobicContact CB-CB 4.23Å; Q1550-Q1746 VanDerWaalsContact CD-OE1 3.25Å; Q1550-Q1746 PolarHBondContact N-O 2.81Å; Q1550-Q1746 VanDerWaalsContact N-O 3.09Å; Q1550-Q1746 VanDerWaalsContact OE1-CD 3.29Å | ||
| 1551 | P | 79.7 | Confident | 85 | Confident | 9 Ų | 9 | 17.7 Ų | 17.7 | 6% | 0.058 | 10% | 0.097 | C | C | . | . | trans | -13.7 | 116 | 144.7 | -52.9 | 48.5 | 0 | 0 | 0 | 119.1 | D202 N253 L1549 L1582 | D202-P1551 HydrophobicContact CB-CB 3.87Å; D202-P1551 WeakPolarHBondContact OD1-CA 3.15Å; D202-P1551 WeakPolarHBondContact OD1-CB 3.47Å; D202-P1551 VanDerWaalsContact OD1-CG 3.22Å; D202-P1551 WeakPolarHBondContact OD1-CG 3.24Å; N253-P1551 HydrophobicContact CB-CB 4Å; N253-P1551 HydrophobicContact CB-CG 3.62Å; L1549-P1551 WeakPolarHBondContact O-CD 3.27Å; P1551-L1582 HydrophobicContact CG-CD1 3.87Å; P1551-L1582 HydrophobicContact CG-CD2 4.23Å | ||
| 1552 | S | 78.7 | Confident | 85 | Confident | 29 Ų | 29 | 17.8 Ų | 17.8 | 20% | 0.203 | 10% | 0.097 | C | C | . | . | trans | -141.3 | -15.4 | -175.7 | -63.6 | 0 | 0 | 0 | 0 | 116.3 | D202 Q1550 L1557 D1608 | D202-S1552 PolarHBondContact OD1-N 3.46Å; D202-S1552 PolarHBondContact OD2-N 3.19Å; Q1550-S1552 PolarHBondContact O-N 3.48Å; Q1550-S1552 PolarHBondContact O-OG 3.01Å; S1552-L1557 PolarHBondContact N-O 2.78Å; S1552-L1557 VanDerWaalsContact N-O 3.15Å; S1552-D1608 VanDerWaalsContact C-OD2 3.29Å; S1552-D1608 WeakPolarHBondContact CB-OD2 3.41Å | ||
| 1553 | D | 75.2 | Confident | 84.9 | Confident | 26 Ų | 26 | 18 Ų | 18 | 14% | 0.139 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -102.9 | 172.6 | -171.5 | -178.7 | 17.3 | 0 | 0 | 0 | 113 | D202 P330 S1555 D1608 | D202-D1553 WeakPolarHBondContact CB-O 3.39Å; D202-D1553 VanDerWaalsContact CG-O 3.25Å; D202-D1553 PolarHBondContact N-O 2.85Å; D202-D1553 WeakPolarHBondContact OD2-CA 3.33Å; D202-D1553 WeakPolarHBondContact OD2-CB 3.44Å; D202-D1553 PolarHBondContact OD2-N 3.35Å; P330-D1553 VanDerWaalsContact CG-O 3.31Å; P330-D1553 WeakPolarHBondContact CG-O 3.49Å; D1553-S1555 PolarHBondContact O-N 2.85Å; D1553-S1555 WeakPolarHBondContact OD2-CB 3.48Å; D1553-S1555 PolarHBondContact OD2-OG 2.71Å; D1553-D1608 WeakPolarHBondContact CB-OD2 3.4Å; D1553-D1608 PolarHBondContact N-OD2 2.9Å |
| 1554 | S | 67.5 | Low | 84.8 | Confident | 49 Ų | 49 | 18 Ų | 18 | 34% | 0.343 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -74 | 8.3 | 164.4 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | K199 Q201 | K199-S1554 WeakPolarHBondContact CE-O 3.33Å; K199-S1554 PolarHBondContact NZ-O 3.43Å; K199-S1554 PolarHBondContact NZ-OG 2.89Å; Q201-S1554 WeakPolarHBondContact CA-O 3.34Å; Q201-S1554 WeakPolarHBondContact CG-O 3.32Å |
| 1555 | S | 66.9 | Low | 84.8 | Confident | 8 Ų | 8 | 20 Ų | 20 | 6% | 0.056 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -101.6 | -35.2 | 179.2 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | K200 Q201 F255 D1553 L1557 | K200-S1555 VanDerWaalsContact C-C 3.46Å; K200-S1555 CarbonylContact C-O 3.58Å; K200-S1555 WeakPolarHBondContact CA-O 3.35Å; K200-S1555 WeakPolarHBondContact CB-O 3.14Å; K200-S1555 CarbonylContact O-C 3.53Å; K200-S1555 WeakPolarHBondContact O-CA 3.41Å; Q201-S1555 VanDerWaalsContact CA-O 3.3Å; Q201-S1555 WeakPolarHBondContact CA-O 3.37Å; Q201-S1555 PolarHBondContact N-O 2.9Å; F255-S1555 WeakPolarHBondContact CD2-O 3.42Å; F255-S1555 WeakPolarHBondContact CE2-O 3.36Å; D1553-S1555 PolarHBondContact O-N 2.85Å; D1553-S1555 WeakPolarHBondContact OD2-CB 3.48Å; D1553-S1555 PolarHBondContact OD2-OG 2.71Å; S1555-L1557 PolarHBondContact OG-N 2.87Å |
| 1556 | G | 64.6 | Low | 84.8 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 106 | -1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q201 D202 F255 | Q201-G1556 VanDerWaalsContact O-CA 3.22Å; Q201-G1556 WeakPolarHBondContact O-CA 3.41Å; D202-G1556 VanDerWaalsContact CA-CA 3.45Å; D202-G1556 VanDerWaalsContact CG-N 3.26Å; D202-G1556 VanDerWaalsContact N-N 3.15Å; D202-G1556 WeakPolarHBondContact OD1-CA 3.36Å; D202-G1556 VanDerWaalsContact OD2-C 3.24Å; D202-G1556 WeakPolarHBondContact OD2-CA 3.47Å; D202-G1556 PolarHBondContact OD2-N 3.17Å; F255-G1556 WeakPolarHBondContact CA-O 3.45Å; F255-G1556 WeakPolarHBondContact CB-O 3.37Å; F255-G1556 WeakPolarHBondContact CG-O 3.41Å; F255-G1556 PolarHBondContact N-O 3.39Å |
| 1557 | L | 80.4 | Confident | 84.4 | Confident | 20 Ų | 20 | 19.1 Ų | 19.1 | 11% | 0.105 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -115.3 | -136.8 | 170.3 | -64.1 | 172.3 | 0 | 0 | 0 | 108.8 | D202 F255 S1552 S1555 N1580 L1582 | D202-L1557 PolarHBondContact OD1-N 3.49Å; D202-L1557 VanDerWaalsContact OD1-O 3.13Å; D202-L1557 PolarHBondContact OD2-N 3.4Å; F255-L1557 HydrophobicContact CB-CD2 3.6Å; F255-L1557 HydrophobicContact CB-CG 4.03Å; F255-L1557 HydrophobicContact CD1-CD1 3.65Å; F255-L1557 HydrophobicContact CD1-CD2 3.41Å; F255-L1557 VanDerWaalsContact CD1-CD2 3.41Å; F255-L1557 HydrophobicContact CD1-CG 3.48Å; F255-L1557 VanDerWaalsContact CD1-CG 3.48Å; F255-L1557 HydrophobicContact CD2-CD1 4.31Å; F255-L1557 HydrophobicContact CD2-CD2 4.21Å; F255-L1557 HydrophobicContact CD2-CG 3.65Å; F255-L1557 HydrophobicContact CE1-CD1 3.32Å; F255-L1557 HydrophobicContact CE1-CD2 4Å; F255-L1557 HydrophobicContact CE1-CG 3.65Å; F255-L1557 HydrophobicContact CE2-CD1 3.92Å; F255-L1557 HydrophobicContact CE2-CG 3.7Å; F255-L1557 HydrophobicContact CG-CD1 4.12Å; F255-L1557 HydrophobicContact CG-CD2 3.48Å; F255-L1557 VanDerWaalsContact CG-CD2 3.48Å; F255-L1557 HydrophobicContact CG-CG 3.45Å; F255-L1557 VanDerWaalsContact CG-CG 3.45Å; F255-L1557 HydrophobicContact CZ-CD1 3.39Å; F255-L1557 HydrophobicContact CZ-CG 3.69Å; S1552-L1557 PolarHBondContact N-O 2.78Å; S1552-L1557 VanDerWaalsContact N-O 3.15Å; S1555-L1557 PolarHBondContact OG-N 2.87Å; L1557-N1580 HydrophobicContact CD1-CB 3.8Å; L1557-N1580 WeakPolarHBondContact CD1-O 3.45Å; L1557-L1582 VanDerWaalsContact C-CD2 3.47Å; L1557-L1582 HydrophobicContact CB-CD2 4.42Å; L1557-L1582 HydrophobicContact CB-CG 4.24Å; L1557-L1582 HydrophobicContact CD2-CB 4.31Å; L1557-L1582 HydrophobicContact CD2-CD1 3.78Å; L1557-L1582 HydrophobicContact CD2-CG 3.55Å; L1557-L1582 HydrophobicContact CG-CG 4.5Å |
| 1558 | A | 83.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -144.4 | 171.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | P1560 N1580 T1581 L1582 D1608 I1618 | A1558-P1560 HydrophobicContact CB-CB 4.49Å; A1558-P1560 WeakPolarHBondContact O-CD 2.98Å; A1558-N1580 CarbonylContact O-C 3.56Å; A1558-N1580 VanDerWaalsContact O-CA 3.29Å; A1558-N1580 WeakPolarHBondContact O-CA 3.38Å; A1558-N1580 PolarHBondContact O-N 3.36Å; A1558-N1580 VanDerWaalsContact O-N 3.16Å; A1558-T1581 PolarHBondContact O-N 2.87Å; A1558-L1582 HydrophobicContact CB-CD2 4.45Å; A1558-D1608 HydrophobicContact CB-CB 4.36Å; A1558-D1608 WeakPolarHBondContact CB-OD2 3.31Å; A1558-I1618 HydrophobicContact CB-CD1 3.52Å | ||
| 1559 | D | 88.5 | Confident | 84.2 | Confident | 15 Ų | 15 | 25.1 Ų | 25.1 | 8% | 0.08 | 14% | 0.139 | C | C | . | . | trans | -101 | 58.9 | 163.4 | -81.1 | -1 | 0 | 0 | 0 | 108.7 | Y1577 L1578 P1579 N1580 D1608 Y1609 | D1559-Y1577 HydrophobicContact CB-CD2 3.61Å; D1559-Y1577 HydrophobicContact CB-CE2 3.87Å; D1559-Y1577 WeakPolarHBondContact OD2-CE2 3.38Å; D1559-L1578 CarbonylContact C-O 3.58Å; D1559-L1578 WeakPolarHBondContact CA-O 3.29Å; D1559-P1579 WeakPolarHBondContact OD1-CA 3.31Å; D1559-N1580 PolarHBondContact OD1-N 3.13Å; D1559-N1580 PolarHBondContact OD1-ND2 2.69Å; D1559-D1608 WeakPolarHBondContact CA-OD1 3.13Å; D1559-D1608 WeakPolarHBondContact CB-OD1 3.31Å; D1559-D1608 PolarHBondContact N-OD1 2.75Å; D1559-Y1609 WeakPolarHBondContact O-CB 3.46Å; D1559-Y1609 PolarHBondContact O-N 3.22Å | ||
| 1560 | P | 92.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -67 | 141.7 | -161.4 | 28.2 | -39.8 | 0 | 0 | 0 | 114 | L1549 A1558 L1578 T1581 P1584 F1586 V1606 K1607 I1618 | L1549-P1560 HydrophobicContact CD1-CB 3.79Å; L1549-P1560 HydrophobicContact CD1-CG 4.08Å; A1558-P1560 HydrophobicContact CB-CB 4.49Å; A1558-P1560 WeakPolarHBondContact O-CD 2.98Å; P1560-L1578 WeakPolarHBondContact CD-O 3.29Å; P1560-L1578 PolarHBondContact O-N 3.36Å; P1560-L1578 VanDerWaalsContact O-N 3.07Å; P1560-T1581 VanDerWaalsContact CD-O 3.27Å; P1560-T1581 WeakPolarHBondContact CD-O 3.35Å; P1560-T1581 HydrophobicContact CG-CG2 4.01Å; P1560-T1581 WeakPolarHBondContact CG-O 3.36Å; P1560-P1584 HydrophobicContact CB-CG 4.19Å; P1560-P1584 HydrophobicContact CG-CB 3.75Å; P1560-P1584 HydrophobicContact CG-CG 3.64Å; P1560-F1586 HydrophobicContact CB-CE1 4.28Å; P1560-F1586 HydrophobicContact CB-CZ 4.13Å; P1560-V1606 HydrophobicContact CB-CG1 4.08Å; P1560-K1607 CarbonylContact C-O 3.59Å; P1560-K1607 VanDerWaalsContact CA-O 3.27Å; P1560-K1607 WeakPolarHBondContact CA-O 3.49Å; P1560-I1618 HydrophobicContact CB-CD1 4.24Å | ||
| 1561 | Y | 94.6 | Very high | 84.9 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 161.4 | 165.5 | 75.7 | -89.1 | 0 | 0 | 0 | 111 | E1563 N1572 K1574 K1607 D1608 D1615 | Y1561-E1563 HydrophobicContact CE2-CB 4.31Å; Y1561-N1572 HydrophobicContact CD2-CB 4.09Å; Y1561-N1572 HydrophobicContact CE2-CB 3.85Å; Y1561-K1574 HydrophobicContact CD1-CB 4.39Å; Y1561-K1574 HydrophobicContact CD2-CB 3.9Å; Y1561-K1574 HydrophobicContact CE1-CB 4.32Å; Y1561-K1574 HydrophobicContact CE1-CD 4.42Å; Y1561-K1574 HydrophobicContact CE1-CG 4.25Å; Y1561-K1574 HydrophobicContact CE2-CB 3.83Å; Y1561-K1574 HydrophobicContact CG-CB 4.17Å; Y1561-K1607 HydrophobicContact CD1-CB 4.14Å; Y1561-K1607 HydrophobicContact CE1-CB 3.59Å; Y1561-K1607 HydrophobicContact CE2-CB 4.12Å; Y1561-K1607 HydrophobicContact CE2-CD 4.22Å; Y1561-K1607 PolarHBondContact N-O 3.39Å; Y1561-K1607 PolarHBondContact O-N 3.36Å; Y1561-K1607 VanDerWaalsContact OH-CD 3.26Å; Y1561-K1607 WeakPolarHBondContact OH-CD 3.37Å; Y1561-D1608 WeakPolarHBondContact CE1-O 3.42Å; Y1561-D1615 HydrophobicContact CE1-CB 4.24Å; Y1561-D1615 WeakPolarHBondContact CE1-OD2 3.5Å; Y1561-D1615 PolarHBondContact OH-OD2 3.46Å |
| 1562 | V | 94.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 136.2 | -179.9 | -169.9 | 0 | 0 | 0 | 0 | 110 | I1543 I1564 N1572 S1573 F1586 F1590 V1604 | I1543-V1562 HydrophobicContact CG1-CG1 4.27Å; I1543-V1562 HydrophobicContact CG2-CG2 4.05Å; V1562-I1564 HydrophobicContact CG1-CG1 3.98Å; V1562-N1572 CarbonylContact O-C 3.58Å; V1562-N1572 WeakPolarHBondContact O-CA 3.49Å; V1562-N1572 WeakPolarHBondContact O-CB 3.29Å; V1562-S1573 PolarHBondContact N-OG 3.1Å; V1562-S1573 PolarHBondContact O-N 3.29Å; V1562-F1586 HydrophobicContact CG2-CD1 3.8Å; V1562-F1586 HydrophobicContact CG2-CD2 3.81Å; V1562-F1586 HydrophobicContact CG2-CE1 3.68Å; V1562-F1586 HydrophobicContact CG2-CE2 3.65Å; V1562-F1586 HydrophobicContact CG2-CG 3.85Å; V1562-F1586 HydrophobicContact CG2-CZ 3.58Å; V1562-F1590 HydrophobicContact CB-CZ 4.48Å; V1562-V1604 HydrophobicContact CG1-CG1 3.94Å |
| 1563 | E | 95 | Very high | 85.9 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.8 | 169.8 | 179.4 | 168.1 | 108 | 0 | 0 | 109 | Y1561 I1565 K1570 N1572 I1605 K1607 | Y1561-E1563 HydrophobicContact CE2-CB 4.31Å; E1563-I1565 HydrophobicContact CG-CD1 4.48Å; E1563-I1565 HydrophobicContact CG-CG1 4.24Å; E1563-K1570 HydrophobicContact CG-CG 4.48Å; E1563-K1570 WeakPolarHBondContact OE1-CE 3.46Å; E1563-K1570 IonicContact OE1-NZ 3.86Å; E1563-K1570 PolarHBondContact OE1-NZ 3.23Å; E1563-K1570 WeakPolarHBondContact OE2-CE 3.4Å; E1563-K1570 IonicContact OE2-NZ 3.82Å; E1563-K1570 PolarHBondContact OE2-NZ 3.16Å; E1563-N1572 HydrophobicContact CB-CB 3.93Å; E1563-N1572 HydrophobicContact CG-CB 4.11Å; E1563-I1605 HydrophobicContact CB-CB 4.36Å; E1563-I1605 PolarHBondContact N-O 3Å; E1563-I1605 PolarHBondContact O-N 3.07Å; E1563-K1607 HydrophobicContact CB-CD 4.47Å; E1563-K1607 VanDerWaalsContact CD-NZ 3.32Å; E1563-K1607 WeakPolarHBondContact OE1-CE 3.31Å; E1563-K1607 IonicContact OE1-NZ 3.31Å; E1563-K1607 PolarHBondContact OE1-NZ 3.44Å; E1563-K1607 IonicContact OE2-NZ 3.83Å; E1563-K1607 PolarHBondContact OE2-NZ 3.5Å |
| 1564 | I | 95.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.4 | -179.6 | -58.1 | -173.4 | 0 | 0 | 0 | 108.6 | V1541 I1543 V1562 K1570 V1571 F1590 M1592 L1602 | V1541-I1564 HydrophobicContact CB-CD1 3.84Å; V1541-I1564 HydrophobicContact CG1-CD1 3.75Å; V1541-I1564 HydrophobicContact CG2-CD1 4.4Å; I1543-I1564 HydrophobicContact CD1-CD1 4.46Å; I1543-I1564 HydrophobicContact CG1-CD1 4.24Å; V1562-I1564 HydrophobicContact CG1-CG1 3.98Å; I1564-K1570 WeakPolarHBondContact O-CA 3.48Å; I1564-V1571 PolarHBondContact N-O 3.41Å; I1564-V1571 PolarHBondContact O-N 3.12Å; I1564-F1590 HydrophobicContact CD1-CB 3.92Å; I1564-F1590 HydrophobicContact CD1-CD1 4.39Å; I1564-F1590 HydrophobicContact CD1-CD2 3.32Å; I1564-F1590 HydrophobicContact CD1-CE2 3.81Å; I1564-F1590 HydrophobicContact CD1-CG 3.64Å; I1564-F1590 HydrophobicContact CG1-CD2 4.39Å; I1564-M1592 HydrophobicContact CB-CE 4.1Å; I1564-M1592 HydrophobicContact CG2-CE 3.61Å; I1564-M1592 HydrophobicContact CG2-SD 4.29Å; I1564-L1602 HydrophobicContact CG2-CD1 3.43Å; I1564-L1602 VanDerWaalsContact CG2-CD1 3.43Å |
| 1565 | I | 94.2 | Very high | 87.3 | Confident | 40 Ų | 40 | 38.9 Ų | 38.9 | 21% | 0.205 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.8 | 180 | -48.6 | 179.8 | 0 | 0 | 0 | 109.3 | E1563 H1569 K1570 H1603 I1605 | E1563-I1565 HydrophobicContact CG-CD1 4.48Å; E1563-I1565 HydrophobicContact CG-CG1 4.24Å; I1565-H1569 WeakPolarHBondContact CA-O 3.48Å; I1565-K1570 HydrophobicContact CD1-CD 4.16Å; I1565-K1570 HydrophobicContact CG1-CB 4.43Å; I1565-K1570 HydrophobicContact CG1-CD 4.26Å; I1565-K1570 HydrophobicContact CG1-CG 4.19Å; I1565-H1603 HydrophobicContact CB-CB 4.26Å; I1565-H1603 PolarHBondContact N-O 2.96Å; I1565-H1603 PolarHBondContact O-N 3.39Å; I1565-I1605 HydrophobicContact CD1-CD1 3.82Å; I1565-I1605 HydrophobicContact CG1-CD1 4.46Å |
| 1566 | V | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 109.9 | 172 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | L1539 Q1568 H1569 M1592 C1594 E1599 L1602 L1625 | L1539-V1566 HydrophobicContact CD2-CG2 3.77Å; V1566-Q1568 PolarHBondContact O-N 3.45Å; V1566-Q1568 VanDerWaalsContact O-N 3.1Å; V1566-H1569 PolarHBondContact N-O 2.91Å; V1566-H1569 WeakPolarHBondContact O-CB 3.49Å; V1566-H1569 PolarHBondContact O-N 2.98Å; V1566-M1592 HydrophobicContact CB-SD 4.08Å; V1566-M1592 HydrophobicContact CG2-SD 3.84Å; V1566-C1594 HydrophobicContact CG1-CB 3.49Å; V1566-C1594 VanDerWaalsContact CG1-CB 3.49Å; V1566-E1599 HydrophobicContact CG1-CB 4.06Å; V1566-L1602 HydrophobicContact CG2-CB 4.04Å; V1566-L1602 HydrophobicContact CG2-CD1 3.48Å; V1566-L1602 VanDerWaalsContact CG2-CD1 3.48Å; V1566-L1602 HydrophobicContact CG2-CG 4.35Å; V1566-L1625 HydrophobicContact CG1-CD1 4.3Å |
| 1567 | G | 86.7 | Confident | 89 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -112 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1599 | G1567-E1599 WeakPolarHBondContact CA-OE1 3.42Š|
| 1568 | Q | 83.2 | Confident | 89.2 | Confident | 177 Ų | 177 | 48.2 Ų | 48.2 | 83% | 0.827 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | -6.2 | 173.1 | -60.7 | -59.7 | -86.6 | 0 | 0 | 114.1 | V1566 E1599 | V1566-Q1568 PolarHBondContact O-N 3.45Å; V1566-Q1568 VanDerWaalsContact O-N 3.1Å; Q1568-E1599 PolarHBondContact N-OE1 2.75Å |
| 1569 | H | 87 | Confident | 89.1 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 40% | 0.398 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.6 | 177.2 | -69.7 | -73.7 | 0 | 0 | 0 | 110.5 | I1565 V1566 M1592 K1593 | I1565-H1569 WeakPolarHBondContact CA-O 3.48Å; V1566-H1569 PolarHBondContact N-O 2.91Å; V1566-H1569 WeakPolarHBondContact O-CB 3.49Å; V1566-H1569 PolarHBondContact O-N 2.98Å; H1569-M1592 HydrophobicContact CB-SD 4.3Å; H1569-K1593 PolarHBondContact CD2-O 3.45Å |
| 1570 | K | 90.9 | Very high | 88.7 | Confident | 117 Ų | 117 | 51.3 Ų | 51.3 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122 | 175.4 | 171 | 165.1 | 167.9 | 152.4 | 0 | 109.1 | E1563 I1564 I1565 | E1563-K1570 HydrophobicContact CG-CG 4.48Å; E1563-K1570 WeakPolarHBondContact OE1-CE 3.46Å; E1563-K1570 IonicContact OE1-NZ 3.86Å; E1563-K1570 PolarHBondContact OE1-NZ 3.23Å; E1563-K1570 WeakPolarHBondContact OE2-CE 3.4Å; E1563-K1570 IonicContact OE2-NZ 3.82Å; E1563-K1570 PolarHBondContact OE2-NZ 3.16Å; I1564-K1570 WeakPolarHBondContact O-CA 3.48Å; I1565-K1570 HydrophobicContact CD1-CD 4.16Å; I1565-K1570 HydrophobicContact CG1-CB 4.43Å; I1565-K1570 HydrophobicContact CG1-CD 4.26Å; I1565-K1570 HydrophobicContact CG1-CG 4.19Å |
| 1571 | V | 91 | Very high | 88.2 | Confident | 60 Ų | 60 | 53 Ų | 53 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.9 | 178.2 | -171.6 | 0 | 0 | 0 | 0 | 108 | I1564 F1590 M1592 | I1564-V1571 PolarHBondContact N-O 3.41Å; I1564-V1571 PolarHBondContact O-N 3.12Å; V1571-F1590 HydrophobicContact CB-CD1 4.33Å; V1571-F1590 HydrophobicContact CG1-CD1 3.78Å; V1571-F1590 HydrophobicContact CG1-CE1 4.12Å; V1571-M1592 HydrophobicContact CB-CE 4.45Å; V1571-M1592 HydrophobicContact CG2-CE 4.15Å |
| 1572 | N | 90.8 | Very high | 87.8 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 33% | 0.326 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 169.7 | 173.6 | 67.8 | 38.7 | 0 | 0 | 0 | 111.2 | Y1561 V1562 E1563 K1574 | Y1561-N1572 HydrophobicContact CD2-CB 4.09Å; Y1561-N1572 HydrophobicContact CE2-CB 3.85Å; V1562-N1572 CarbonylContact O-C 3.58Å; V1562-N1572 WeakPolarHBondContact O-CA 3.49Å; V1562-N1572 WeakPolarHBondContact O-CB 3.29Å; E1563-N1572 HydrophobicContact CB-CB 3.93Å; E1563-N1572 HydrophobicContact CG-CB 4.11Å; N1572-K1574 WeakPolarHBondContact OD1-CB 3.33Å; N1572-K1574 PolarHBondContact OD1-N 2.95Å |
| 1573 | S | 89.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -111.1 | 31 | 173.9 | 76.7 | 0 | 0 | 0 | 0 | 113.3 | V1562 D1575 K1576 Y1577 K1588 | V1562-S1573 PolarHBondContact N-OG 3.1Å; V1562-S1573 PolarHBondContact O-N 3.29Å; S1573-D1575 PolarHBondContact O-N 2.79Å; S1573-K1576 CarbonylContact O-C 3.51Å; S1573-K1576 PolarHBondContact O-N 3.4Å; S1573-Y1577 PolarHBondContact O-N 2.97Å; S1573-K1588 PolarHBondContact OG-NZ 3.31Å | ||
| 1574 | K | 87.4 | Confident | 87.3 | Confident | 63 Ų | 63 | 57.4 Ų | 57.4 | 27% | 0.274 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -62.5 | -29.3 | -175.5 | 178.4 | 172.7 | 165.3 | 122.8 | 0 | 112.7 | Y1561 N1572 K1576 Y1609 D1615 | Y1561-K1574 HydrophobicContact CD1-CB 4.39Å; Y1561-K1574 HydrophobicContact CD2-CB 3.9Å; Y1561-K1574 HydrophobicContact CE1-CB 4.32Å; Y1561-K1574 HydrophobicContact CE1-CD 4.42Å; Y1561-K1574 HydrophobicContact CE1-CG 4.25Å; Y1561-K1574 HydrophobicContact CE2-CB 3.83Å; Y1561-K1574 HydrophobicContact CG-CB 4.17Å; N1572-K1574 WeakPolarHBondContact OD1-CB 3.33Å; N1572-K1574 PolarHBondContact OD1-N 2.95Å; K1574-K1576 PolarHBondContact O-N 2.96Å; K1574-Y1609 HydrophobicContact CD-CD2 4.19Å; K1574-Y1609 HydrophobicContact CD-CE2 4.5Å; K1574-Y1609 VanDerWaalsContact CE-CE2 3.46Å; K1574-Y1609 HydrophobicContact CG-CD2 3.94Å; K1574-Y1609 HydrophobicContact CG-CE2 4.38Å; K1574-D1615 WeakPolarHBondContact CD-OD2 3.42Å; K1574-D1615 WeakPolarHBondContact CE-OD2 3.47Å; K1574-D1615 IonicContact NZ-OD1 3.61Å; K1574-D1615 PolarHBondContact NZ-OD1 2.77Å; K1574-D1615 IonicContact NZ-OD2 3.39Å; K1574-D1615 PolarHBondContact NZ-OD2 2.77Å |
| 1575 | D | 83.5 | Confident | 87 | Confident | 121 Ų | 121 | 59.4 Ų | 59.4 | 65% | 0.647 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -64.6 | -16.5 | 173.8 | 71.2 | -43.5 | 0 | 0 | 0 | 113.8 | S1573 | S1573-D1575 PolarHBondContact O-N 2.79Š|
| 1576 | K | 81.9 | Confident | 86.9 | Confident | 132 Ų | 132 | 57.7 Ų | 57.7 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -141.7 | 50.7 | -176.8 | -62.6 | 173.3 | -165.5 | 179.8 | 0 | 109.3 | S1573 K1574 K1588 | S1573-K1576 CarbonylContact O-C 3.51Å; S1573-K1576 PolarHBondContact O-N 3.4Å; K1574-K1576 PolarHBondContact O-N 2.96Å; K1576-K1588 PolarHBondContact O-NZ 2.88Å |
| 1577 | Y | 86.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 58 Ų | 58 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | trans | -60.3 | 157.8 | 166.6 | 72.4 | -86.9 | 0 | 0 | 0 | 109.9 | D1559 S1573 P1579 Y1609 D1861 | D1559-Y1577 HydrophobicContact CB-CD2 3.61Å; D1559-Y1577 HydrophobicContact CB-CE2 3.87Å; D1559-Y1577 WeakPolarHBondContact OD2-CE2 3.38Å; S1573-Y1577 PolarHBondContact O-N 2.97Å; Y1577-P1579 HydrophobicContact CD2-CB 4.36Å; Y1577-P1579 HydrophobicContact CE2-CB 3.87Å; Y1577-Y1609 AromaticContact CD1-CD1 3.66Å; Y1577-Y1609 HydrophobicContact CD1-CD1 3.66Å; Y1577-Y1609 HydrophobicContact CD1-CE1 4.09Å; Y1577-Y1609 AromaticContact CD1-CG 3.96Å; Y1577-Y1609 HydrophobicContact CD1-CG 3.96Å; Y1577-Y1609 AromaticContact CD2-CD1 3.85Å; Y1577-Y1609 HydrophobicContact CD2-CD1 3.85Å; Y1577-Y1609 HydrophobicContact CD2-CG 4.32Å; Y1577-Y1609 AromaticContact CE1-CD1 3.46Å; Y1577-Y1609 HydrophobicContact CE1-CD1 3.46Å; Y1577-Y1609 VanDerWaalsContact CE1-CD1 3.46Å; Y1577-Y1609 AromaticContact CE1-CE1 3.51Å; Y1577-Y1609 HydrophobicContact CE1-CE1 3.51Å; Y1577-Y1609 HydrophobicContact CE1-CG 4.22Å; Y1577-Y1609 AromaticContact CE2-CD1 3.59Å; Y1577-Y1609 HydrophobicContact CE2-CD1 3.59Å; Y1577-Y1609 HydrophobicContact CE2-CE1 4.19Å; Y1577-Y1609 HydrophobicContact CE2-CG 4.49Å; Y1577-Y1609 AromaticContact CG-CD1 3.85Å; Y1577-Y1609 HydrophobicContact CG-CD1 3.85Å; Y1577-Y1609 HydrophobicContact CG-CG 4.02Å; Y1577-Y1609 AromaticContact CZ-CD1 3.4Å; Y1577-Y1609 VanDerWaalsContact CZ-CD1 3.4Å; Y1577-Y1609 AromaticContact CZ-CE1 3.54Å; Y1577-D1861 PolarHBondContact OH-OD1 2.65Å; Y1577-D1861 VanDerWaalsContact OH-OD1 3.05Å; Y1577-D1861 PolarHBondContact OH-OD2 2.84Å; Y1577-D1861 VanDerWaalsContact OH-OD2 3.13Å | ||
| 1578 | L | 84.4 | Confident | 86.9 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | trans | -105.4 | 102.9 | 179.4 | -70.7 | 172.4 | 0 | 0 | 0 | 108.1 | D1559 P1560 N1580 T1581 P1584 F1586 | D1559-L1578 CarbonylContact C-O 3.58Å; D1559-L1578 WeakPolarHBondContact CA-O 3.29Å; P1560-L1578 WeakPolarHBondContact CD-O 3.29Å; P1560-L1578 PolarHBondContact O-N 3.36Å; P1560-L1578 VanDerWaalsContact O-N 3.07Å; L1578-N1580 PolarHBondContact O-N 2.91Å; L1578-T1581 HydrophobicContact CB-CG2 3.94Å; L1578-P1584 HydrophobicContact CB-CB 4.39Å; L1578-P1584 HydrophobicContact CD1-CB 3.52Å; L1578-F1586 HydrophobicContact CD1-CD1 3.83Å; L1578-F1586 HydrophobicContact CD1-CE1 4.26Å; L1578-F1586 HydrophobicContact CD1-CG 4.49Å | ||
| 1579 | P | 81.8 | Confident | 87.4 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 22% | 0.221 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -66.2 | 135.7 | -172.2 | 25.8 | -34.2 | 0 | 0 | 0 | 110.8 | D1559 Y1577 D1861 | D1559-P1579 WeakPolarHBondContact OD1-CA 3.31Å; Y1577-P1579 HydrophobicContact CD2-CB 4.36Å; Y1577-P1579 HydrophobicContact CE2-CB 3.87Å; P1579-D1861 HydrophobicContact CB-CB 3.9Å; P1579-D1861 HydrophobicContact CG-CB 4.08Å |
| 1580 | N | 80 | Confident | 87.7 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 25% | 0.246 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 55.2 | 69.3 | 167.9 | -74.3 | -117.2 | 0 | 0 | 0 | 110.9 | L1557 A1558 D1559 L1578 T1863 | L1557-N1580 HydrophobicContact CD1-CB 3.8Å; L1557-N1580 WeakPolarHBondContact CD1-O 3.45Å; A1558-N1580 CarbonylContact O-C 3.56Å; A1558-N1580 VanDerWaalsContact O-CA 3.29Å; A1558-N1580 WeakPolarHBondContact O-CA 3.38Å; A1558-N1580 PolarHBondContact O-N 3.36Å; A1558-N1580 VanDerWaalsContact O-N 3.16Å; D1559-N1580 PolarHBondContact OD1-N 3.13Å; D1559-N1580 PolarHBondContact OD1-ND2 2.69Å; L1578-N1580 PolarHBondContact O-N 2.91Å; N1580-T1863 HydrophobicContact CB-CG2 4.06Å |
| 1581 | T | 82.7 | Confident | 87.8 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | trans | -157.4 | 139.5 | 168.4 | -176.5 | 0 | 0 | 0 | 0 | 114.4 | A1558 P1560 L1578 N1583 P1584 | A1558-T1581 PolarHBondContact O-N 2.87Å; P1560-T1581 VanDerWaalsContact CD-O 3.27Å; P1560-T1581 WeakPolarHBondContact CD-O 3.35Å; P1560-T1581 HydrophobicContact CG-CG2 4.01Å; P1560-T1581 WeakPolarHBondContact CG-O 3.36Å; L1578-T1581 HydrophobicContact CB-CG2 3.94Å; T1581-N1583 PolarHBondContact OG1-N 3.1Å; T1581-N1583 VanDerWaalsContact OG1-N 3.08Å; T1581-P1584 HydrophobicContact CG2-CB 3.83Å | ||
| 1582 | L | 85.8 | Confident | 87.9 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -96.4 | -6.2 | 168.1 | -62.1 | 171.4 | 0 | 0 | 0 | 113.2 | D1548 L1549 P1551 L1557 A1558 P1584 | D1548-L1582 PolarHBondContact N-O 3.26Å; L1549-L1582 HydrophobicContact CB-CB 4.34Å; L1549-L1582 HydrophobicContact CB-CD2 4.12Å; L1549-L1582 WeakPolarHBondContact CB-O 3.18Å; L1549-L1582 PolarHBondContact N-O 3.22Å; L1549-L1582 WeakPolarHBondContact O-CD2 3.14Å; P1551-L1582 HydrophobicContact CG-CD1 3.87Å; P1551-L1582 HydrophobicContact CG-CD2 4.23Å; L1557-L1582 VanDerWaalsContact C-CD2 3.47Å; L1557-L1582 HydrophobicContact CB-CD2 4.42Å; L1557-L1582 HydrophobicContact CB-CG 4.24Å; L1557-L1582 HydrophobicContact CD2-CB 4.31Å; L1557-L1582 HydrophobicContact CD2-CD1 3.78Å; L1557-L1582 HydrophobicContact CD2-CG 3.55Å; L1557-L1582 HydrophobicContact CG-CG 4.5Å; A1558-L1582 HydrophobicContact CB-CD2 4.45Å; L1582-P1584 WeakPolarHBondContact O-CD 3.25Å |
| 1583 | N | 87.5 | Confident | 88 | Confident | 80 Ų | 80 | 47.5 Ų | 47.5 | 43% | 0.428 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -124 | 57.9 | 179.3 | -77.5 | -83.1 | 0 | 0 | 0 | 110.2 | A1546 I1547 D1548 T1581 E1585 | A1546-N1583 CarbonylContact O-C 3.58Å; A1546-N1583 WeakPolarHBondContact O-CA 3.5Å; I1547-N1583 WeakPolarHBondContact CA-OD1 3.19Å; D1548-N1583 PolarHBondContact N-OD1 3.36Å; D1548-N1583 PolarHBondContact OD1-ND2 3.35Å; T1581-N1583 PolarHBondContact OG1-N 3.1Å; T1581-N1583 VanDerWaalsContact OG1-N 3.08Å; N1583-E1585 PolarHBondContact O-N 2.87Å |
| 1584 | P | 90.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | trans | -68.8 | 124.9 | -175.4 | 26.6 | -35.4 | 0 | 0 | 0 | 113 | R1545 A1546 L1549 P1560 L1578 T1581 L1582 F1586 | R1545-P1584 CarbonylContact C-O 3.58Å; R1545-P1584 WeakPolarHBondContact CA-O 3.44Å; R1545-P1584 WeakPolarHBondContact CB-O 3.42Å; A1546-P1584 HydrophobicContact CB-CG 3.82Å; A1546-P1584 PolarHBondContact N-O 3.1Å; L1549-P1584 HydrophobicContact CD1-CG 3.67Å; P1560-P1584 HydrophobicContact CB-CG 4.19Å; P1560-P1584 HydrophobicContact CG-CB 3.75Å; P1560-P1584 HydrophobicContact CG-CG 3.64Å; L1578-P1584 HydrophobicContact CB-CB 4.39Å; L1578-P1584 HydrophobicContact CD1-CB 3.52Å; T1581-P1584 HydrophobicContact CG2-CB 3.83Å; L1582-P1584 WeakPolarHBondContact O-CD 3.25Å; P1584-F1586 HydrophobicContact CB-CD1 4.2Å; P1584-F1586 HydrophobicContact CB-CD2 4.41Å; P1584-F1586 HydrophobicContact CB-CE1 3.81Å; P1584-F1586 HydrophobicContact CB-CE2 4.07Å; P1584-F1586 HydrophobicContact CB-CG 4.49Å; P1584-F1586 HydrophobicContact CB-CZ 3.76Å; P1584-F1586 HydrophobicContact CG-CD2 4.3Å; P1584-F1586 HydrophobicContact CG-CE1 3.97Å; P1584-F1586 HydrophobicContact CG-CE2 3.58Å; P1584-F1586 HydrophobicContact CG-CZ 3.38Å; P1584-F1586 PolarHBondContact O-N 3.45Å | ||
| 1585 | E | 88.6 | Confident | 88.5 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | trans | -85 | 85.2 | 164.3 | -67.5 | -175 | 146.7 | 0 | 0 | 109.7 | W1437 I1544 R1545 N1583 R1866 | W1437-E1585 HydrophobicContact CH2-CB 4.46Å; W1437-E1585 HydrophobicContact CH2-CG 4.47Å; I1544-E1585 CarbonylContact O-C 3.25Å; R1545-E1585 HydrophobicContact CB-CG 4.29Å; N1583-E1585 PolarHBondContact O-N 2.87Å; E1585-R1866 IonicContact OE2-CZ 3.13Å; E1585-R1866 IonicContact OE2-NH1 3.25Å; E1585-R1866 PolarHBondContact OE2-NH1 3.19Å; E1585-R1866 IonicContact OE2-NH2 3.44Å; E1585-R1866 PolarHBondContact OE2-NH2 2.91Å | ||
| 1586 | F | 91.7 | Very high | 88.9 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | trans | -63.7 | -45 | -178 | -63.3 | -67.2 | 0 | 0 | 0 | 113.6 | I1543 I1544 A1546 P1560 V1562 L1578 P1584 K1588 V1606 L1749 | I1543-F1586 HydrophobicContact CG2-CB 4.31Å; I1543-F1586 HydrophobicContact CG2-CD2 3.69Å; I1543-F1586 HydrophobicContact CG2-CE2 4.38Å; I1543-F1586 HydrophobicContact CG2-CG 4.3Å; I1544-F1586 PolarHBondContact O-N 3.04Å; A1546-F1586 HydrophobicContact CB-CE2 3.94Å; P1560-F1586 HydrophobicContact CB-CE1 4.28Å; P1560-F1586 HydrophobicContact CB-CZ 4.13Å; V1562-F1586 HydrophobicContact CG2-CD1 3.8Å; V1562-F1586 HydrophobicContact CG2-CD2 3.81Å; V1562-F1586 HydrophobicContact CG2-CE1 3.68Å; V1562-F1586 HydrophobicContact CG2-CE2 3.65Å; V1562-F1586 HydrophobicContact CG2-CG 3.85Å; V1562-F1586 HydrophobicContact CG2-CZ 3.58Å; L1578-F1586 HydrophobicContact CD1-CD1 3.83Å; L1578-F1586 HydrophobicContact CD1-CE1 4.26Å; L1578-F1586 HydrophobicContact CD1-CG 4.49Å; P1584-F1586 HydrophobicContact CB-CD1 4.2Å; P1584-F1586 HydrophobicContact CB-CD2 4.41Å; P1584-F1586 HydrophobicContact CB-CE1 3.81Å; P1584-F1586 HydrophobicContact CB-CE2 4.07Å; P1584-F1586 HydrophobicContact CB-CG 4.49Å; P1584-F1586 HydrophobicContact CB-CZ 3.76Å; P1584-F1586 HydrophobicContact CG-CD2 4.3Å; P1584-F1586 HydrophobicContact CG-CE1 3.97Å; P1584-F1586 HydrophobicContact CG-CE2 3.58Å; P1584-F1586 HydrophobicContact CG-CZ 3.38Å; P1584-F1586 PolarHBondContact O-N 3.45Å; F1586-K1588 WeakPolarHBondContact O-CG 3.43Å; F1586-K1588 PolarHBondContact O-N 3.04Å; F1586-V1606 HydrophobicContact CZ-CG1 4.13Å; F1586-L1749 HydrophobicContact CD2-CD1 4.49Å; F1586-L1749 HydrophobicContact CE2-CD1 4.12Å | ||
| 1587 | G | 89.3 | Confident | 89.3 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | trans | 50.8 | 45.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1543 I1544 I1769 | I1543-G1587 PolarHBondContact O-N 3.49Å; I1544-G1587 PolarHBondContact O-N 2.94Å; G1587-I1769 VanDerWaalsContact CA-O 3.22Å; G1587-I1769 WeakPolarHBondContact CA-O 3.47Å | ||
| 1588 | K | 91.4 | Very high | 89.5 | Confident | 45 Ų | 45 | 38 Ų | 38 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.2 | -173.6 | -79.4 | 169 | -164 | 169 | 0 | 113.1 | I1543 S1573 K1576 F1586 F1590 | I1543-K1588 PolarHBondContact N-O 2.8Å; I1543-K1588 PolarHBondContact O-N 2.65Å; S1573-K1588 PolarHBondContact OG-NZ 3.31Å; K1576-K1588 PolarHBondContact O-NZ 2.88Å; F1586-K1588 WeakPolarHBondContact O-CG 3.43Å; F1586-K1588 PolarHBondContact O-N 3.04Å; K1588-F1590 HydrophobicContact CB-CE2 3.84Å; K1588-F1590 HydrophobicContact CB-CZ 4.21Å; K1588-F1590 HydrophobicContact CD-CZ 4.45Å |
| 1589 | M | 93.1 | Very high | 89.8 | Confident | 63 Ų | 63 | 36.9 Ų | 36.9 | 31% | 0.31 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128 | 171.1 | -176.4 | -77.2 | -60.9 | 0 | 0 | 109.5 | R1540 V1541 Y1542 Q1591 P1766 | R1540-M1589 HydrophobicContact CB-SD 4.27Å; R1540-M1589 HydrophobicContact CG-SD 4.09Å; V1541-M1589 WeakPolarHBondContact O-CA 3.17Å; Y1542-M1589 HydrophobicContact CD1-CB 3.67Å; Y1542-M1589 HydrophobicContact CD1-CG 3.49Å; Y1542-M1589 VanDerWaalsContact CD1-CG 3.49Å; Y1542-M1589 HydrophobicContact CD2-CG 4.35Å; Y1542-M1589 HydrophobicContact CE1-CB 3.86Å; Y1542-M1589 HydrophobicContact CE1-CG 3.32Å; Y1542-M1589 HydrophobicContact CE2-CG 4.23Å; Y1542-M1589 HydrophobicContact CG-CB 4.38Å; Y1542-M1589 HydrophobicContact CG-CG 4.04Å; M1589-Q1591 HydrophobicContact CE-CB 4.39Å; M1589-Q1591 HydrophobicContact SD-CB 3.82Å; M1589-P1766 HydrophobicContact CE-CB 3.93Å; M1589-P1766 HydrophobicContact CE-CG 4.08Å |
| 1590 | F | 93.3 | Very high | 90.2 | Very high | 19 Ų | 19 | 36 Ų | 36 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.8 | 176.3 | -59.9 | -95.3 | 0 | 0 | 0 | 109.2 | R1540 V1541 I1543 V1562 I1564 V1571 K1588 M1592 | R1540-F1590 WeakPolarHBondContact CA-O 3.27Å; V1541-F1590 PolarHBondContact N-O 2.94Å; V1541-F1590 PolarHBondContact O-N 2.94Å; I1543-F1590 HydrophobicContact CG1-CD2 4.33Å; I1543-F1590 HydrophobicContact CG1-CE2 4.1Å; V1562-F1590 HydrophobicContact CB-CZ 4.48Å; I1564-F1590 HydrophobicContact CD1-CB 3.92Å; I1564-F1590 HydrophobicContact CD1-CD1 4.39Å; I1564-F1590 HydrophobicContact CD1-CD2 3.32Å; I1564-F1590 HydrophobicContact CD1-CE2 3.81Å; I1564-F1590 HydrophobicContact CD1-CG 3.64Å; I1564-F1590 HydrophobicContact CG1-CD2 4.39Å; V1571-F1590 HydrophobicContact CB-CD1 4.33Å; V1571-F1590 HydrophobicContact CG1-CD1 3.78Å; V1571-F1590 HydrophobicContact CG1-CE1 4.12Å; K1588-F1590 HydrophobicContact CB-CE2 3.84Å; K1588-F1590 HydrophobicContact CB-CZ 4.21Å; K1588-F1590 HydrophobicContact CD-CZ 4.45Å; F1590-M1592 HydrophobicContact CB-CE 4.18Å |
| 1591 | Q | 93 | Very high | 90.7 | Very high | 89 Ų | 89 | 37 Ų | 37 | 42% | 0.416 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.1 | 175.9 | -171.7 | 172.1 | -50.6 | 0 | 0 | 110.2 | M1538 L1539 R1540 M1589 | M1538-Q1591 HydrophobicContact CG-CG 3.91Å; M1538-Q1591 HydrophobicContact SD-CG 3.58Å; M1538-Q1591 VanDerWaalsContact SD-CG 3.58Å; M1538-Q1591 PolarHBondContact SD-NE2 2.68Å; M1538-Q1591 VanDerWaalsContact SD-NE2 3.35Å; L1539-Q1591 WeakPolarHBondContact O-CA 3.27Å; R1540-Q1591 HydrophobicContact CG-CB 4.27Å; R1540-Q1591 HydrophobicContact CG-CG 3.99Å; M1589-Q1591 HydrophobicContact CE-CB 4.39Å; M1589-Q1591 HydrophobicContact SD-CB 3.82Å |
| 1592 | M | 92.8 | Very high | 91.3 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 166.1 | 178.8 | 63.2 | -171.2 | 75.6 | 0 | 0 | 110.9 | L1539 I1564 V1566 H1569 V1571 F1590 | L1539-M1592 HydrophobicContact CB-CG 4.08Å; L1539-M1592 HydrophobicContact CD2-CG 4.02Å; L1539-M1592 HydrophobicContact CD2-SD 4.23Å; L1539-M1592 PolarHBondContact N-O 3.04Å; L1539-M1592 PolarHBondContact O-N 2.98Å; I1564-M1592 HydrophobicContact CB-CE 4.1Å; I1564-M1592 HydrophobicContact CG2-CE 3.61Å; I1564-M1592 HydrophobicContact CG2-SD 4.29Å; V1566-M1592 HydrophobicContact CB-SD 4.08Å; V1566-M1592 HydrophobicContact CG2-SD 3.84Å; H1569-M1592 HydrophobicContact CB-SD 4.3Å; V1571-M1592 HydrophobicContact CB-CE 4.45Å; V1571-M1592 HydrophobicContact CG2-CE 4.15Å; F1590-M1592 HydrophobicContact CB-CE 4.18Å |
| 1593 | K | 92.5 | Very high | 91.7 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 38% | 0.378 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 149.2 | 172.9 | -70.1 | 179.5 | 156.4 | -153.9 | 0 | 109.7 | E1536 C1537 M1538 H1569 | E1536-K1593 VanDerWaalsContact OE1-CD 3.26Å; E1536-K1593 WeakPolarHBondContact OE1-CD 3.45Å; E1536-K1593 VanDerWaalsContact OE1-CE 3.32Å; E1536-K1593 WeakPolarHBondContact OE1-CE 3.32Å; E1536-K1593 IonicContact OE1-NZ 2.74Å; E1536-K1593 PolarHBondContact OE1-NZ 2.98Å; C1537-K1593 CarbonylContact O-C 3.42Å; C1537-K1593 WeakPolarHBondContact O-CA 3.42Å; M1538-K1593 HydrophobicContact CE-CD 4.37Å; M1538-K1593 HydrophobicContact CE-CG 3.89Å; M1538-K1593 HydrophobicContact SD-CG 3.85Å; H1569-K1593 PolarHBondContact CD2-O 3.45Å |
| 1594 | C | 93.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 157.2 | 171.3 | 62.6 | 0 | 0 | 0 | 0 | 110.6 | C1537 V1566 E1599 | C1537-C1594 PolarHBondContact N-O 3.16Å; C1537-C1594 PolarHBondContact O-N 3.41Å; V1566-C1594 HydrophobicContact CG1-CB 3.49Å; V1566-C1594 VanDerWaalsContact CG1-CB 3.49Å; C1594-E1599 VanDerWaalsContact CA-OE2 3.29Å; C1594-E1599 WeakPolarHBondContact CA-OE2 3.18Å; C1594-E1599 HydrophobicContact CB-CB 4.2Å |
| 1595 | I | 94.1 | Very high | 92.3 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 37% | 0.369 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 104.3 | 174.8 | -56 | 175.9 | 0 | 0 | 0 | 109.1 | P1534 I1598 E1599 | P1534-I1595 HydrophobicContact CB-CG2 3.56Å; I1595-I1598 HydrophobicContact CB-CD1 4.44Å; I1595-I1598 HydrophobicContact CG2-CD1 3.76Å; I1595-I1598 HydrophobicContact CG2-CG1 4.15Å; I1595-I1598 WeakPolarHBondContact O-CA 3.4Å; I1595-I1598 WeakPolarHBondContact O-CB 3.47Å; I1595-I1598 PolarHBondContact O-N 3.3Å; I1595-E1599 PolarHBondContact N-OE2 2.9Å; I1595-E1599 PolarHBondContact O-N 2.65Å |
| 1596 | L | 91.9 | Very high | 92.6 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 137.8 | 176.9 | -61.3 | -176.8 | 0 | 0 | 0 | 110.2 | P1534 E1535 C1537 L1625 R1629 I1755 | P1534-L1596 CarbonylContact C-O 3.6Å; P1534-L1596 WeakPolarHBondContact CA-O 3.12Å; E1535-L1596 PolarHBondContact N-O 3.47Å; E1535-L1596 PolarHBondContact O-N 2.79Å; C1537-L1596 HydrophobicContact CB-CD1 4.38Å; C1537-L1596 HydrophobicContact CB-CG 4.49Å; L1596-L1625 HydrophobicContact CD1-CB 4.22Å; L1596-L1625 HydrophobicContact CD2-CB 3.72Å; L1596-L1625 HydrophobicContact CD2-CD1 4.17Å; L1596-R1629 HydrophobicContact CD1-CB 3.92Å; L1596-R1629 HydrophobicContact CD1-CG 4.09Å; L1596-I1755 HydrophobicContact CD1-CG2 4.25Å |
| 1597 | P | 90.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -98.3 | 17.6 | 2.4 | 39.3 | -35.7 | 0 | 0 | 0 | 114.1 | P1323 E1599 K1600 E1626 | P1323-P1597 HydrophobicContact CG-CG 3.96Å; P1597-E1599 VanDerWaalsContact C-N 3.29Å; P1597-E1599 PolarHBondContact O-N 2.83Å; P1597-K1600 HydrophobicContact CB-CB 4.42Å; P1597-E1626 HydrophobicContact CB-CB 4.11Å; P1597-E1626 HydrophobicContact CB-CG 4.02Å; P1597-E1626 VanDerWaalsContact CB-OE1 3.24Å; P1597-E1626 WeakPolarHBondContact CB-OE1 3.37Å; P1597-E1626 WeakPolarHBondContact CB-OE2 3.29Å |
| 1598 | I | 90 | Very high | 92.8 | Very high | 69 Ų | 69 | 32 Ų | 32 | 35% | 0.354 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -40.4 | 178.8 | -52.4 | 179.7 | 0 | 0 | 0 | 110.3 | K1321 P1534 I1595 | K1321-I1598 WeakPolarHBondContact O-CD1 3.45Å; P1534-I1598 HydrophobicContact CB-CD1 4.09Å; P1534-I1598 HydrophobicContact CB-CG1 4.26Å; P1534-I1598 HydrophobicContact CG-CD1 4.11Å; P1534-I1598 HydrophobicContact CG-CG1 4.35Å; I1595-I1598 HydrophobicContact CB-CD1 4.44Å; I1595-I1598 HydrophobicContact CG2-CD1 3.76Å; I1595-I1598 HydrophobicContact CG2-CG1 4.15Å; I1595-I1598 WeakPolarHBondContact O-CA 3.4Å; I1595-I1598 WeakPolarHBondContact O-CB 3.47Å; I1595-I1598 PolarHBondContact O-N 3.3Å |
| 1599 | E | 91.3 | Very high | 92.6 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 51 | -179 | -55.5 | -179 | 124.6 | 0 | 0 | 109.5 | V1566 G1567 Q1568 C1594 I1595 P1597 | V1566-E1599 HydrophobicContact CG1-CB 4.06Å; G1567-E1599 WeakPolarHBondContact CA-OE1 3.42Å; Q1568-E1599 PolarHBondContact N-OE1 2.75Å; C1594-E1599 VanDerWaalsContact CA-OE2 3.29Å; C1594-E1599 WeakPolarHBondContact CA-OE2 3.18Å; C1594-E1599 HydrophobicContact CB-CB 4.2Å; I1595-E1599 PolarHBondContact N-OE2 2.9Å; I1595-E1599 PolarHBondContact O-N 2.65Å; P1597-E1599 VanDerWaalsContact C-N 3.29Å; P1597-E1599 PolarHBondContact O-N 2.83Å |
| 1600 | K | 90.7 | Very high | 92.1 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | trans | -73.1 | -21.8 | -174 | 64.3 | 119.6 | 171.8 | 153.4 | 0 | 115.4 | E1502 P1597 D1624 L1625 E1626 | E1502-K1600 IonicContact OE2-NZ 3.38Å; E1502-K1600 PolarHBondContact OE2-NZ 2.92Å; E1502-K1600 VanDerWaalsContact OE2-NZ 3.09Å; P1597-K1600 HydrophobicContact CB-CB 4.42Å; K1600-D1624 WeakPolarHBondContact CD-OD2 3.22Å; K1600-D1624 IonicContact NZ-OD2 2.81Å; K1600-D1624 PolarHBondContact NZ-OD2 3Å; K1600-L1625 WeakPolarHBondContact O-CB 3.39Å; K1600-L1625 PolarHBondContact O-N 3.07Å; K1600-E1626 HydrophobicContact CB-CB 3.9Å | ||
| 1601 | E | 90.9 | Very high | 91.3 | Very high | 67 Ų | 67 | 34 Ų | 34 | 31% | 0.313 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 117.8 | -177.6 | -81 | 149.8 | -142.9 | 0 | 0 | 110.4 | ||
| 1602 | L | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.9 | 168 | 163.1 | 62.6 | 0 | 0 | 0 | 108.2 | L1539 V1541 I1564 V1566 V1604 D1622 I1623 L1625 V1753 | L1539-L1602 HydrophobicContact CD2-CD1 4.3Å; L1539-L1602 HydrophobicContact CD2-CD2 4.39Å; V1541-L1602 HydrophobicContact CG2-CD1 4.08Å; V1541-L1602 HydrophobicContact CG2-CD2 3.89Å; I1564-L1602 HydrophobicContact CG2-CD1 3.43Å; I1564-L1602 VanDerWaalsContact CG2-CD1 3.43Å; V1566-L1602 HydrophobicContact CG2-CB 4.04Å; V1566-L1602 HydrophobicContact CG2-CD1 3.48Å; V1566-L1602 VanDerWaalsContact CG2-CD1 3.48Å; V1566-L1602 HydrophobicContact CG2-CG 4.35Å; L1602-V1604 HydrophobicContact CD1-CG2 3.93Å; L1602-V1604 HydrophobicContact CD2-CG2 4.42Å; L1602-V1604 HydrophobicContact CG-CG2 3.97Å; L1602-D1622 CarbonylContact O-C 3.5Å; L1602-D1622 WeakPolarHBondContact O-CA 3.32Å; L1602-I1623 HydrophobicContact CB-CB 4.24Å; L1602-I1623 HydrophobicContact CD2-CB 4.32Å; L1602-I1623 HydrophobicContact CD2-CD1 4.02Å; L1602-I1623 HydrophobicContact CG-CB 4.44Å; L1602-I1623 PolarHBondContact N-O 3.04Å; L1602-I1623 PolarHBondContact O-N 2.8Å; L1602-L1625 HydrophobicContact CB-CD1 3.94Å; L1602-L1625 HydrophobicContact CB-CD2 3.98Å; L1602-L1625 HydrophobicContact CB-CG 3.84Å; L1602-L1625 HydrophobicContact CD2-CD2 3.89Å; L1602-V1753 HydrophobicContact CD2-CG1 4.15Å; L1602-V1753 HydrophobicContact CD2-CG2 3.66Å |
| 1603 | H | 93.9 | Very high | 89.3 | Confident | 51 Ų | 51 | 39.1 Ų | 39.1 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.2 | 172.2 | -49.8 | -74 | 0 | 0 | 0 | 108.7 | I1565 I1605 D1622 | I1565-H1603 HydrophobicContact CB-CB 4.26Å; I1565-H1603 PolarHBondContact N-O 2.96Å; I1565-H1603 PolarHBondContact O-N 3.39Å; H1603-I1605 HydrophobicContact CB-CG1 4.48Å; H1603-D1622 IonicContact CE1-OD1 3.61Å; H1603-D1622 IonicContact CG-OD1 2.75Å; H1603-D1622 IonicContact ND1-OD1 2.68Å; H1603-D1622 PolarHBondContact ND1-OD1 3.38Å |
| 1604 | V | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.4 | 172.3 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | I1543 V1562 L1602 Q1620 T1621 L1749 M1751 | I1543-V1604 HydrophobicContact CD1-CG1 3.93Å; V1562-V1604 HydrophobicContact CG1-CG1 3.94Å; L1602-V1604 HydrophobicContact CD1-CG2 3.93Å; L1602-V1604 HydrophobicContact CD2-CG2 4.42Å; L1602-V1604 HydrophobicContact CG-CG2 3.97Å; V1604-Q1620 CarbonylContact O-C 3.49Å; V1604-Q1620 VanDerWaalsContact O-CA 3.28Å; V1604-Q1620 WeakPolarHBondContact O-CA 3.34Å; V1604-T1621 HydrophobicContact CB-CG2 4.17Å; V1604-T1621 PolarHBondContact N-O 3.06Å; V1604-T1621 PolarHBondContact O-N 3.38Å; V1604-L1749 HydrophobicContact CB-CD2 4.42Å; V1604-L1749 HydrophobicContact CG1-CD2 3.47Å; V1604-L1749 VanDerWaalsContact CG1-CD2 3.47Å; V1604-M1751 HydrophobicContact CG1-SD 4.48Å; V1604-M1751 HydrophobicContact CG2-CE 4.07Å; V1604-M1751 HydrophobicContact CG2-SD 4.27Å |
| 1605 | I | 94.8 | Very high | 88.4 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.8 | -173.4 | -47.1 | 177.9 | 0 | 0 | 0 | 108 | E1563 I1565 H1603 K1607 I1617 Q1620 | E1563-I1605 HydrophobicContact CB-CB 4.36Å; E1563-I1605 PolarHBondContact N-O 3Å; E1563-I1605 PolarHBondContact O-N 3.07Å; I1565-I1605 HydrophobicContact CD1-CD1 3.82Å; I1565-I1605 HydrophobicContact CG1-CD1 4.46Å; H1603-I1605 HydrophobicContact CB-CG1 4.48Å; I1605-K1607 HydrophobicContact CG2-CG 3.86Å; I1605-I1617 HydrophobicContact CG2-CG1 4.21Å; I1605-I1617 HydrophobicContact CG2-CG2 3.78Å; I1605-Q1620 HydrophobicContact CB-CB 4.32Å; I1605-Q1620 HydrophobicContact CG1-CB 3.95Å; I1605-Q1620 HydrophobicContact CG2-CB 4.27Å |
| 1606 | V | 95 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.9 | 166.6 | -169.9 | 0 | 0 | 0 | 0 | 107.7 | L1549 P1560 F1586 I1618 G1619 L1736 L1749 | L1549-V1606 HydrophobicContact CD1-CG1 3.88Å; L1549-V1606 HydrophobicContact CD2-CB 4.44Å; L1549-V1606 HydrophobicContact CD2-CG1 4.09Å; P1560-V1606 HydrophobicContact CB-CG1 4.08Å; F1586-V1606 HydrophobicContact CZ-CG1 4.13Å; V1606-I1618 HydrophobicContact CG1-CD1 4.18Å; V1606-I1618 PolarHBondContact O-N 3.48Å; V1606-I1618 VanDerWaalsContact O-N 3.12Å; V1606-G1619 PolarHBondContact N-O 3.45Å; V1606-G1619 PolarHBondContact O-N 3.08Å; V1606-L1736 HydrophobicContact CB-CD1 4.3Å; V1606-L1736 HydrophobicContact CG2-CD1 3.73Å; V1606-L1736 HydrophobicContact CG2-CD2 4.3Å; V1606-L1749 HydrophobicContact CG2-CD1 4.2Å; V1606-L1749 HydrophobicContact CG2-CD2 4.39Å |
| 1607 | K | 92.9 | Very high | 87.8 | Confident | 25 Ų | 25 | 44 Ų | 44 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.9 | -176.7 | -70.9 | -172.9 | 171.1 | -179.2 | 0 | 111.2 | P1560 Y1561 E1563 I1605 D1616 I1617 | P1560-K1607 CarbonylContact C-O 3.59Å; P1560-K1607 VanDerWaalsContact CA-O 3.27Å; P1560-K1607 WeakPolarHBondContact CA-O 3.49Å; Y1561-K1607 HydrophobicContact CD1-CB 4.14Å; Y1561-K1607 HydrophobicContact CE1-CB 3.59Å; Y1561-K1607 HydrophobicContact CE2-CB 4.12Å; Y1561-K1607 HydrophobicContact CE2-CD 4.22Å; Y1561-K1607 PolarHBondContact N-O 3.39Å; Y1561-K1607 PolarHBondContact O-N 3.36Å; Y1561-K1607 VanDerWaalsContact OH-CD 3.26Å; Y1561-K1607 WeakPolarHBondContact OH-CD 3.37Å; E1563-K1607 HydrophobicContact CB-CD 4.47Å; E1563-K1607 VanDerWaalsContact CD-NZ 3.32Å; E1563-K1607 WeakPolarHBondContact OE1-CE 3.31Å; E1563-K1607 IonicContact OE1-NZ 3.31Å; E1563-K1607 PolarHBondContact OE1-NZ 3.44Å; E1563-K1607 IonicContact OE2-NZ 3.83Å; E1563-K1607 PolarHBondContact OE2-NZ 3.5Å; I1605-K1607 HydrophobicContact CG2-CG 3.86Å; K1607-D1616 CarbonylContact C-O 3.56Å; K1607-D1616 WeakPolarHBondContact CA-O 3.45Å; K1607-D1616 WeakPolarHBondContact CB-O 3.41Å; K1607-I1617 HydrophobicContact CD-CG1 4.47Å; K1607-I1617 HydrophobicContact CG-CG1 4.21Å |
| 1608 | D | 91.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -85.6 | 150.8 | 169.5 | -154.9 | -9.4 | 0 | 0 | 0 | 110.7 | S1552 D1553 A1558 D1559 Y1561 D1615 D1616 I1618 | S1552-D1608 VanDerWaalsContact C-OD2 3.29Å; S1552-D1608 WeakPolarHBondContact CB-OD2 3.41Å; D1553-D1608 WeakPolarHBondContact CB-OD2 3.4Å; D1553-D1608 PolarHBondContact N-OD2 2.9Å; A1558-D1608 HydrophobicContact CB-CB 4.36Å; A1558-D1608 WeakPolarHBondContact CB-OD2 3.31Å; D1559-D1608 WeakPolarHBondContact CA-OD1 3.13Å; D1559-D1608 WeakPolarHBondContact CB-OD1 3.31Å; D1559-D1608 PolarHBondContact N-OD1 2.75Å; Y1561-D1608 WeakPolarHBondContact CE1-O 3.42Å; D1608-D1615 VanDerWaalsContact O-CB 3.26Å; D1608-D1615 WeakPolarHBondContact O-CB 3.18Å; D1608-D1616 PolarHBondContact N-O 2.91Å; D1608-I1618 HydrophobicContact CB-CD1 4.25Å; D1608-I1618 HydrophobicContact CB-CG1 4.2Å | ||
| 1609 | Y | 87.7 | Confident | 87.6 | Confident | 56 Ų | 56 | 40.4 Ų | 40.4 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | trans | -106.1 | 100.2 | 178.6 | 169 | -103.1 | 0 | 0 | 0 | 111.6 | D1559 K1574 Y1577 | D1559-Y1609 WeakPolarHBondContact O-CB 3.46Å; D1559-Y1609 PolarHBondContact O-N 3.22Å; K1574-Y1609 HydrophobicContact CD-CD2 4.19Å; K1574-Y1609 HydrophobicContact CD-CE2 4.5Å; K1574-Y1609 VanDerWaalsContact CE-CE2 3.46Å; K1574-Y1609 HydrophobicContact CG-CD2 3.94Å; K1574-Y1609 HydrophobicContact CG-CE2 4.38Å; Y1577-Y1609 AromaticContact CD1-CD1 3.66Å; Y1577-Y1609 HydrophobicContact CD1-CD1 3.66Å; Y1577-Y1609 HydrophobicContact CD1-CE1 4.09Å; Y1577-Y1609 AromaticContact CD1-CG 3.96Å; Y1577-Y1609 HydrophobicContact CD1-CG 3.96Å; Y1577-Y1609 AromaticContact CD2-CD1 3.85Å; Y1577-Y1609 HydrophobicContact CD2-CD1 3.85Å; Y1577-Y1609 HydrophobicContact CD2-CG 4.32Å; Y1577-Y1609 AromaticContact CE1-CD1 3.46Å; Y1577-Y1609 HydrophobicContact CE1-CD1 3.46Å; Y1577-Y1609 VanDerWaalsContact CE1-CD1 3.46Å; Y1577-Y1609 AromaticContact CE1-CE1 3.51Å; Y1577-Y1609 HydrophobicContact CE1-CE1 3.51Å; Y1577-Y1609 HydrophobicContact CE1-CG 4.22Å; Y1577-Y1609 AromaticContact CE2-CD1 3.59Å; Y1577-Y1609 HydrophobicContact CE2-CD1 3.59Å; Y1577-Y1609 HydrophobicContact CE2-CE1 4.19Å; Y1577-Y1609 HydrophobicContact CE2-CG 4.49Å; Y1577-Y1609 AromaticContact CG-CD1 3.85Å; Y1577-Y1609 HydrophobicContact CG-CD1 3.85Å; Y1577-Y1609 HydrophobicContact CG-CG 4.02Å; Y1577-Y1609 AromaticContact CZ-CD1 3.4Å; Y1577-Y1609 VanDerWaalsContact CZ-CD1 3.4Å; Y1577-Y1609 AromaticContact CZ-CE1 3.54Å | ||
| 1610 | D | 82.9 | Confident | 87.7 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | trans | -82.8 | 124.1 | 171.9 | -63.9 | -81 | 0 | 0 | 0 | 112.5 | V1612 D1616 | D1610-V1612 PolarHBondContact O-N 2.96Å; D1610-D1616 PolarHBondContact OD2-N 2.89Å | ||
| 1611 | A | 74.9 | Confident | 87.9 | Confident | 74 Ų | 74 | 41.3 Ų | 41.3 | 61% | 0.612 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -66.3 | -24.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1612 | V | 70.9 | Confident | 87.9 | Confident | 141 Ų | 141 | 41.5 Ų | 41.5 | 86% | 0.855 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -141.8 | 91 | 178.2 | -176 | 0 | 0 | 0 | 0 | 109.6 | D1610 | D1610-V1612 PolarHBondContact O-N 2.96Š|
| 1613 | G | 73.5 | Confident | 87.8 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 69% | 0.691 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 162.4 | -156.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1614 | A | 80.6 | Confident | 87.7 | Confident | 84 Ų | 84 | 40.9 Ų | 40.9 | 69% | 0.694 | 26% | 0.255 | S | S | * | . | trans | -116.8 | 123.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | D1616 | A1614-D1616 PolarHBondContact O-N 2.89Š| ||
| 1615 | D | 86.3 | Confident | 87.6 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | trans | -44.5 | 117.5 | -178.2 | -56.9 | 58.9 | 0 | 0 | 0 | 113.6 | Y1561 K1574 D1608 | Y1561-D1615 HydrophobicContact CE1-CB 4.24Å; Y1561-D1615 WeakPolarHBondContact CE1-OD2 3.5Å; Y1561-D1615 PolarHBondContact OH-OD2 3.46Å; K1574-D1615 WeakPolarHBondContact CD-OD2 3.42Å; K1574-D1615 WeakPolarHBondContact CE-OD2 3.47Å; K1574-D1615 IonicContact NZ-OD1 3.61Å; K1574-D1615 PolarHBondContact NZ-OD1 2.77Å; K1574-D1615 IonicContact NZ-OD2 3.39Å; K1574-D1615 PolarHBondContact NZ-OD2 2.77Å; D1608-D1615 VanDerWaalsContact O-CB 3.26Å; D1608-D1615 WeakPolarHBondContact O-CB 3.18Å | ||
| 1616 | D | 84.7 | Confident | 87.5 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | trans | -73.4 | 148.4 | -179.1 | -91.4 | -35.3 | 0 | 0 | 0 | 113.6 | K1607 D1608 D1610 A1614 I1618 | K1607-D1616 CarbonylContact C-O 3.56Å; K1607-D1616 WeakPolarHBondContact CA-O 3.45Å; K1607-D1616 WeakPolarHBondContact CB-O 3.41Å; D1608-D1616 PolarHBondContact N-O 2.91Å; D1610-D1616 PolarHBondContact OD2-N 2.89Å; A1614-D1616 PolarHBondContact O-N 2.89Å; D1616-I1618 PolarHBondContact O-N 2.82Å | ||
| 1617 | I | 88.8 | Confident | 87.3 | Confident | 60 Ų | 60 | 41.5 Ų | 41.5 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 104.3 | 176.4 | -63.9 | 171.7 | 0 | 0 | 0 | 109.1 | I1605 K1607 | I1605-I1617 HydrophobicContact CG2-CG1 4.21Å; I1605-I1617 HydrophobicContact CG2-CG2 3.78Å; K1607-I1617 HydrophobicContact CD-CG1 4.47Å; K1607-I1617 HydrophobicContact CG-CG1 4.21Å |
| 1618 | I | 87.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | -52 | 171.3 | -50.2 | -174.5 | 0 | 0 | 0 | 109.3 | L1549 Q1550 A1558 P1560 V1606 D1608 D1616 Q1746 | L1549-I1618 HydrophobicContact CB-CG2 4.29Å; L1549-I1618 HydrophobicContact CD1-CD1 4.32Å; L1549-I1618 HydrophobicContact CD2-CG2 4.22Å; Q1550-I1618 HydrophobicContact CB-CG2 3.99Å; Q1550-I1618 VanDerWaalsContact O-CG2 3.31Å; Q1550-I1618 WeakPolarHBondContact O-CG2 3.21Å; A1558-I1618 HydrophobicContact CB-CD1 3.52Å; P1560-I1618 HydrophobicContact CB-CD1 4.24Å; V1606-I1618 HydrophobicContact CG1-CD1 4.18Å; V1606-I1618 PolarHBondContact O-N 3.48Å; V1606-I1618 VanDerWaalsContact O-N 3.12Å; D1608-I1618 HydrophobicContact CB-CD1 4.25Å; D1608-I1618 HydrophobicContact CB-CG1 4.2Å; D1616-I1618 PolarHBondContact O-N 2.82Å; I1618-Q1746 WeakPolarHBondContact O-CB 3.34Å; I1618-Q1746 VanDerWaalsContact O-CG 3.28Å; I1618-Q1746 WeakPolarHBondContact O-CG 3.29Å |
| 1619 | G | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | 162.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1606 Y1737 | V1606-G1619 PolarHBondContact N-O 3.45Å; V1606-G1619 PolarHBondContact O-N 3.08Å; G1619-Y1737 CarbonylContact C-O 3.55Å; G1619-Y1737 WeakPolarHBondContact CA-O 2.99Å |
| 1620 | Q | 93.1 | Very high | 87.4 | Confident | 48 Ų | 48 | 42 Ų | 42 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 158.8 | -178.8 | 63.3 | 178.7 | 53.5 | 0 | 0 | 112.4 | V1604 I1605 L1736 Y1737 | V1604-Q1620 CarbonylContact O-C 3.49Å; V1604-Q1620 VanDerWaalsContact O-CA 3.28Å; V1604-Q1620 WeakPolarHBondContact O-CA 3.34Å; I1605-Q1620 HydrophobicContact CB-CB 4.32Å; I1605-Q1620 HydrophobicContact CG1-CB 3.95Å; I1605-Q1620 HydrophobicContact CG2-CB 4.27Å; Q1620-L1736 WeakPolarHBondContact O-CA 3.43Å; Q1620-Y1737 WeakPolarHBondContact CG-O 3.33Å; Q1620-Y1737 PolarHBondContact N-O 3.05Å; Q1620-Y1737 PolarHBondContact O-N 3.04Å |
| 1621 | T | 93.8 | Very high | 87.6 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.6 | 170.5 | -166.6 | 0 | 0 | 0 | 0 | 109.6 | V1604 R1734 L1735 L1736 | V1604-T1621 HydrophobicContact CB-CG2 4.17Å; V1604-T1621 PolarHBondContact N-O 3.06Å; V1604-T1621 PolarHBondContact O-N 3.38Å; T1621-R1734 HydrophobicContact CG2-CB 3.95Å; T1621-R1734 PolarHBondContact OG1-NE 2.86Å; T1621-L1735 WeakPolarHBondContact CB-O 3.42Å; T1621-L1735 PolarHBondContact OG1-O 2.66Å; T1621-L1736 HydrophobicContact CG2-CD2 4.03Å |
| 1622 | D | 91.7 | Very high | 88.1 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.3 | -173.6 | -58.3 | -40.3 | 0 | 0 | 0 | 110.5 | L1602 H1603 R1734 | L1602-D1622 CarbonylContact O-C 3.5Å; L1602-D1622 WeakPolarHBondContact O-CA 3.32Å; H1603-D1622 IonicContact CE1-OD1 3.61Å; H1603-D1622 IonicContact CG-OD1 2.75Å; H1603-D1622 IonicContact ND1-OD1 2.68Å; H1603-D1622 PolarHBondContact ND1-OD1 3.38Å; D1622-R1734 PolarHBondContact O-NH2 2.65Å |
| 1623 | I | 93.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.3 | -179.9 | -58.9 | 173.6 | 0 | 0 | 0 | 109.7 | L1602 L1625 M1751 V1753 | L1602-I1623 HydrophobicContact CB-CB 4.24Å; L1602-I1623 HydrophobicContact CD2-CB 4.32Å; L1602-I1623 HydrophobicContact CD2-CD1 4.02Å; L1602-I1623 HydrophobicContact CG-CB 4.44Å; L1602-I1623 PolarHBondContact N-O 3.04Å; L1602-I1623 PolarHBondContact O-N 2.8Å; I1623-L1625 HydrophobicContact CG2-CD2 4.25Å; I1623-L1625 PolarHBondContact O-N 3.32Å; I1623-M1751 HydrophobicContact CD1-CE 3.59Å; I1623-M1751 HydrophobicContact CD1-SD 4.29Å; I1623-V1753 HydrophobicContact CD1-CG2 3.87Å |
| 1624 | D | 92.3 | Very high | 89.8 | Confident | 36 Ų | 36 | 34 Ų | 34 | 19% | 0.193 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 96.6 | 171.6 | -167.9 | -54 | 0 | 0 | 0 | 110 | K1504 K1600 E1626 N1627 R1628 | K1504-D1624 VanDerWaalsContact NZ-CG 3.28Å; K1504-D1624 IonicContact NZ-OD1 3.48Å; K1504-D1624 PolarHBondContact NZ-OD1 3.39Å; K1504-D1624 IonicContact NZ-OD2 2.72Å; K1504-D1624 PolarHBondContact NZ-OD2 2.96Å; K1600-D1624 WeakPolarHBondContact CD-OD2 3.22Å; K1600-D1624 IonicContact NZ-OD2 2.81Å; K1600-D1624 PolarHBondContact NZ-OD2 3Å; D1624-E1626 PolarHBondContact O-N 3.03Å; D1624-E1626 WeakPolarHBondContact OD1-CA 3.29Å; D1624-E1626 WeakPolarHBondContact OD1-CB 3.46Å; D1624-E1626 PolarHBondContact OD1-N 3.15Å; D1624-E1626 VanDerWaalsContact OD1-N 3.1Å; D1624-N1627 HydrophobicContact CB-CB 4.47Å; D1624-N1627 PolarHBondContact O-N 3.31Å; D1624-N1627 PolarHBondContact OD1-N 3.32Å; D1624-N1627 PolarHBondContact OD1-OD1 3.14Å; D1624-R1628 PolarHBondContact O-N 2.85Å |
| 1625 | L | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.3 | -26 | 179.4 | -63 | -179.3 | 0 | 0 | 0 | 112.8 | L1539 V1566 L1596 K1600 L1602 I1623 R1629 V1753 I1755 | L1539-L1625 HydrophobicContact CD1-CD1 3.87Å; L1539-L1625 HydrophobicContact CD1-CD2 3.82Å; L1539-L1625 HydrophobicContact CD2-CD1 4.19Å; V1566-L1625 HydrophobicContact CG1-CD1 4.3Å; L1596-L1625 HydrophobicContact CD1-CB 4.22Å; L1596-L1625 HydrophobicContact CD2-CB 3.72Å; L1596-L1625 HydrophobicContact CD2-CD1 4.17Å; K1600-L1625 WeakPolarHBondContact O-CB 3.39Å; K1600-L1625 PolarHBondContact O-N 3.07Å; L1602-L1625 HydrophobicContact CB-CD1 3.94Å; L1602-L1625 HydrophobicContact CB-CD2 3.98Å; L1602-L1625 HydrophobicContact CB-CG 3.84Å; L1602-L1625 HydrophobicContact CD2-CD2 3.89Å; I1623-L1625 HydrophobicContact CG2-CD2 4.25Å; I1623-L1625 PolarHBondContact O-N 3.32Å; L1625-R1629 VanDerWaalsContact O-CB 3.27Å; L1625-R1629 WeakPolarHBondContact O-CB 3.07Å; L1625-R1629 PolarHBondContact O-N 3.34Å; L1625-V1753 HydrophobicContact CD2-CG1 4.01Å; L1625-I1755 HydrophobicContact CB-CD1 4.38Å; L1625-I1755 HydrophobicContact CD2-CD1 4.01Å; L1625-I1755 HydrophobicContact CD2-CG1 4.47Å |
| 1626 | E | 92.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 2% | 0.023 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.4 | -48.2 | 178 | 166.9 | 177.1 | -142.1 | 0 | 0 | 110.6 | W1284 R1287 K1504 P1597 K1600 D1624 R1628 R1629 L1630 | W1284-E1626 PolarHBondContact NE1-OE1 3.43Å; R1287-E1626 IonicContact CZ-OE1 2.68Å; R1287-E1626 IonicContact CZ-OE2 3.41Å; R1287-E1626 IonicContact NE-OE1 2.77Å; R1287-E1626 IonicContact NE-OE2 2.78Å; R1287-E1626 PolarHBondContact NE-OE2 3.35Å; R1287-E1626 VanDerWaalsContact NH2-CD 3.3Å; R1287-E1626 IonicContact NH2-OE1 3.13Å; R1287-E1626 PolarHBondContact NH2-OE1 3.04Å; R1287-E1626 IonicContact NH2-OE2 3.54Å; R1287-E1626 PolarHBondContact NH2-OE2 2.77Å; R1287-E1626 VanDerWaalsContact NH2-OE2 3.14Å; K1504-E1626 VanDerWaalsContact CD-OE2 3.28Å; K1504-E1626 WeakPolarHBondContact CD-OE2 3.47Å; K1504-E1626 WeakPolarHBondContact CE-OE2 3.43Å; K1504-E1626 IonicContact NZ-OE2 3.16Å; K1504-E1626 PolarHBondContact NZ-OE2 2.68Å; P1597-E1626 HydrophobicContact CB-CB 4.11Å; P1597-E1626 HydrophobicContact CB-CG 4.02Å; P1597-E1626 VanDerWaalsContact CB-OE1 3.24Å; P1597-E1626 WeakPolarHBondContact CB-OE1 3.37Å; P1597-E1626 WeakPolarHBondContact CB-OE2 3.29Å; K1600-E1626 HydrophobicContact CB-CB 3.9Å; D1624-E1626 PolarHBondContact O-N 3.03Å; D1624-E1626 WeakPolarHBondContact OD1-CA 3.29Å; D1624-E1626 WeakPolarHBondContact OD1-CB 3.46Å; D1624-E1626 PolarHBondContact OD1-N 3.15Å; D1624-E1626 VanDerWaalsContact OD1-N 3.1Å; E1626-R1628 VanDerWaalsContact C-N 3.3Å; E1626-R1628 PolarHBondContact O-N 3.12Å; E1626-R1629 PolarHBondContact O-N 2.97Å; E1626-L1630 HydrophobicContact CG-CD1 3.47Å; E1626-L1630 VanDerWaalsContact CG-CD1 3.47Å; E1626-L1630 HydrophobicContact CG-CG 4.16Å; E1626-L1630 WeakPolarHBondContact O-CB 3.36Å; E1626-L1630 VanDerWaalsContact O-CG 3.29Å; E1626-L1630 WeakPolarHBondContact O-CG 3.16Å; E1626-L1630 PolarHBondContact O-N 3.02Å |
| 1627 | N | 90.8 | Very high | 91 | Very high | 18 Ų | 18 | 25.1 Ų | 25.1 | 10% | 0.096 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 177.8 | -73 | 12.9 | 0 | 0 | 0 | 111.1 | F1477 K1504 D1624 R1629 L1630 T1631 | F1477-N1627 HydrophobicContact CB-CB 4.15Å; K1504-N1627 PolarHBondContact NZ-OD1 2.92Å; D1624-N1627 HydrophobicContact CB-CB 4.47Å; D1624-N1627 PolarHBondContact O-N 3.31Å; D1624-N1627 PolarHBondContact OD1-N 3.32Å; D1624-N1627 PolarHBondContact OD1-OD1 3.14Å; N1627-R1629 VanDerWaalsContact C-N 3.3Å; N1627-R1629 PolarHBondContact O-N 3.1Å; N1627-L1630 PolarHBondContact O-N 2.94Å; N1627-T1631 WeakPolarHBondContact O-CB 3.31Å; N1627-T1631 WeakPolarHBondContact O-CG2 3.39Å; N1627-T1631 PolarHBondContact O-N 2.97Å |
| 1628 | R | 91.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -30.8 | 175 | -70.8 | -168.2 | -179.4 | -166.9 | 2.8 | 113.9 | E1469 F1477 D1624 E1626 A1635 E1732 I1755 | E1469-R1628 IonicContact OE2-CZ 2.66Å; E1469-R1628 IonicContact OE2-NE 3.68Å; E1469-R1628 IonicContact OE2-NH2 3.82Å; E1469-R1628 PolarHBondContact OE2-NH2 2.81Å; F1477-R1628 HydrophobicContact CD2-CG 4.07Å; F1477-R1628 HydrophobicContact CE2-CG 4.33Å; D1624-R1628 PolarHBondContact O-N 2.85Å; E1626-R1628 VanDerWaalsContact C-N 3.3Å; E1626-R1628 PolarHBondContact O-N 3.12Å; R1628-A1635 HydrophobicContact CB-CB 4.02Å; R1628-A1635 HydrophobicContact CG-CB 4.06Å; R1628-A1635 CarbonylContact O-C 3.09Å; R1628-E1732 IonicContact CZ-OE1 2.83Å; R1628-E1732 VanDerWaalsContact CZ-OE1 3.27Å; R1628-E1732 IonicContact CZ-OE2 3.93Å; R1628-E1732 IonicContact NH1-OE1 3.78Å; R1628-E1732 PolarHBondContact NH1-OE1 2.91Å; R1628-E1732 IonicContact NH1-OE2 3.79Å; R1628-E1732 IonicContact NH2-OE1 2.75Å; R1628-E1732 PolarHBondContact NH2-OE1 2.96Å; R1628-E1732 IonicContact NH2-OE2 2.72Å; R1628-E1732 PolarHBondContact NH2-OE2 3.25Å; R1628-I1755 HydrophobicContact CB-CD1 3.9Å |
| 1629 | R | 92 | Very high | 91.5 | Very high | 66 Ų | 66 | 22.4 Ų | 22.4 | 25% | 0.249 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -78.1 | -31.9 | 176.4 | 175.2 | 62.2 | -170.1 | 94.7 | -2.5 | 113.3 | E1535 L1596 L1625 E1626 N1627 | E1535-R1629 IonicContact OE1-NH2 3.29Å; E1535-R1629 IonicContact OE2-CZ 3.33Å; E1535-R1629 VanDerWaalsContact OE2-CZ 3.23Å; E1535-R1629 IonicContact OE2-NE 2.68Å; E1535-R1629 PolarHBondContact OE2-NE 3.39Å; E1535-R1629 IonicContact OE2-NH2 2.88Å; E1535-R1629 PolarHBondContact OE2-NH2 2.91Å; L1596-R1629 HydrophobicContact CD1-CB 3.92Å; L1596-R1629 HydrophobicContact CD1-CG 4.09Å; L1625-R1629 VanDerWaalsContact O-CB 3.27Å; L1625-R1629 WeakPolarHBondContact O-CB 3.07Å; L1625-R1629 PolarHBondContact O-N 3.34Å; E1626-R1629 PolarHBondContact O-N 2.97Å; N1627-R1629 VanDerWaalsContact C-N 3.3Å; N1627-R1629 PolarHBondContact O-N 3.1Å |
| 1630 | L | 88.9 | Confident | 91.6 | Very high | 22 Ų | 22 | 22.8 Ų | 22.8 | 12% | 0.115 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -93.6 | -25.1 | -173.1 | -67.2 | 177.6 | 0 | 0 | 0 | 114.4 | W1284 F1480 V1530 E1626 N1627 | W1284-L1630 HydrophobicContact CZ2-CD1 4.33Å; W1284-L1630 HydrophobicContact CZ2-CD2 4.34Å; F1480-L1630 HydrophobicContact CB-CB 4.14Å; F1480-L1630 HydrophobicContact CD1-CB 4.01Å; F1480-L1630 HydrophobicContact CD1-CD1 3.68Å; F1480-L1630 HydrophobicContact CD1-CG 4.29Å; F1480-L1630 HydrophobicContact CE1-CD1 3.8Å; F1480-L1630 HydrophobicContact CE1-CD2 4.38Å; F1480-L1630 HydrophobicContact CG-CB 4.05Å; V1530-L1630 HydrophobicContact CG1-CD2 3.74Å; V1530-L1630 HydrophobicContact CG2-CD2 4.47Å; E1626-L1630 HydrophobicContact CG-CD1 3.47Å; E1626-L1630 VanDerWaalsContact CG-CD1 3.47Å; E1626-L1630 HydrophobicContact CG-CG 4.16Å; E1626-L1630 WeakPolarHBondContact O-CB 3.36Å; E1626-L1630 VanDerWaalsContact O-CG 3.29Å; E1626-L1630 WeakPolarHBondContact O-CG 3.16Å; E1626-L1630 PolarHBondContact O-N 3.02Å; N1627-L1630 PolarHBondContact O-N 2.94Å |
| 1631 | T | 88.7 | Confident | 91.4 | Very high | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.055 | 12% | 0.12 | C | C | . | . | trans | -60.7 | 138.1 | -176.8 | -178.8 | 0 | 0 | 0 | 0 | 114.4 | F1477 D1479 N1627 Y1633 R1634 A1635 | F1477-T1631 HydrophobicContact CB-CG2 4.26Å; F1477-T1631 HydrophobicContact CD1-CG2 3.61Å; F1477-T1631 HydrophobicContact CE1-CG2 4.21Å; F1477-T1631 HydrophobicContact CG-CG2 4.07Å; D1479-T1631 WeakPolarHBondContact OD1-CA 3.49Å; D1479-T1631 WeakPolarHBondContact OD1-CB 3.12Å; D1479-T1631 PolarHBondContact OD1-OG1 3.13Å; N1627-T1631 WeakPolarHBondContact O-CB 3.31Å; N1627-T1631 WeakPolarHBondContact O-CG2 3.39Å; N1627-T1631 PolarHBondContact O-N 2.97Å; T1631-Y1633 PolarHBondContact O-N 2.91Å; T1631-Y1633 VanDerWaalsContact O-N 3.14Å; T1631-Y1633 WeakPolarHBondContact OG1-CD2 3.27Å; T1631-Y1633 PolarHBondContact OG1-N 3.35Å; T1631-R1634 PolarHBondContact O-N 2.98Å; T1631-R1634 VanDerWaalsContact O-N 3.11Å; T1631-A1635 HydrophobicContact CG2-CB 3.76Å | ||
| 1632 | K | 83.4 | Confident | 91.2 | Very high | 89 Ų | 89 | 24.5 Ų | 24.5 | 39% | 0.387 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20 | 172.2 | 79.1 | -165.5 | 176.4 | -178.6 | 0 | 113.1 | D1479 R1634 L1726 | D1479-K1632 HydrophobicContact CB-CD 4.27Å; D1479-K1632 WeakPolarHBondContact OD2-CB 3.34Å; D1479-K1632 WeakPolarHBondContact OD2-CD 3.21Å; D1479-K1632 WeakPolarHBondContact OD2-CG 3.47Å; D1479-K1632 PolarHBondContact OD2-N 3.28Å; K1632-R1634 PolarHBondContact O-N 2.69Å; K1632-L1726 WeakPolarHBondContact O-CD2 3.24Å |
| 1633 | Y | 89.1 | Confident | 91.2 | Very high | 15 Ų | 15 | 21.9 Ų | 21.9 | 6% | 0.059 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.9 | 178.8 | -55.9 | -59.6 | 0 | 0 | 0 | 113.2 | G1473 F1474 F1477 D1479 T1631 P1725 L1726 V1727 | G1473-Y1633 PolarHBondContact O-OH 2.96Å; F1474-Y1633 HydrophobicContact CB-CD2 4.31Å; F1474-Y1633 HydrophobicContact CD1-CD1 4.1Å; F1474-Y1633 HydrophobicContact CD1-CD2 4.18Å; F1474-Y1633 AromaticContact CD1-CG 3.85Å; F1474-Y1633 HydrophobicContact CD1-CG 3.85Å; F1474-Y1633 HydrophobicContact CE1-CG 4.49Å; F1474-Y1633 VanDerWaalsContact O-CE2 3.28Å; F1474-Y1633 WeakPolarHBondContact O-CE2 3.46Å; F1477-Y1633 HydrophobicContact CD1-CD2 4.1Å; F1477-Y1633 HydrophobicContact CE1-CD2 4.36Å; D1479-Y1633 HydrophobicContact CB-CE2 4.26Å; T1631-Y1633 PolarHBondContact O-N 2.91Å; T1631-Y1633 VanDerWaalsContact O-N 3.14Å; T1631-Y1633 WeakPolarHBondContact OG1-CD2 3.27Å; T1631-Y1633 PolarHBondContact OG1-N 3.35Å; Y1633-P1725 VanDerWaalsContact CD1-O 3.24Å; Y1633-P1725 WeakPolarHBondContact CD1-O 3.41Å; Y1633-P1725 HydrophobicContact CE1-CB 4.47Å; Y1633-L1726 CarbonylContact O-C 3.49Å; Y1633-L1726 WeakPolarHBondContact O-CA 3.47Å; Y1633-V1727 PolarHBondContact O-N 2.8Å |
| 1634 | R | 91.5 | Very high | 91 | Very high | 40 Ų | 40 | 21.9 Ų | 21.9 | 15% | 0.151 | 10% | 0.102 | C | C | . | . | trans | 59.7 | 51 | 174.3 | -161.2 | -166.7 | -171.2 | -100.2 | -7.1 | 113.5 | T1631 K1632 T1636 C1637 D1653 I1660 L1726 | T1631-R1634 PolarHBondContact O-N 2.98Å; T1631-R1634 VanDerWaalsContact O-N 3.11Å; K1632-R1634 PolarHBondContact O-N 2.69Å; R1634-T1636 PolarHBondContact O-N 2.99Å; R1634-C1637 PolarHBondContact NH1-O 3.42Å; R1634-D1653 IonicContact CZ-OD2 3.88Å; R1634-D1653 IonicContact NH1-OD2 3.81Å; R1634-D1653 PolarHBondContact NH1-OD2 3.05Å; R1634-D1653 IonicContact NH2-OD1 2.69Å; R1634-D1653 PolarHBondContact NH2-OD1 3.24Å; R1634-D1653 IonicContact NH2-OD2 3.4Å; R1634-D1653 PolarHBondContact NH2-OD2 3.46Å; R1634-I1660 VanDerWaalsContact NH2-CD1 3.25Å; R1634-L1726 HydrophobicContact CB-CD2 4.05Å | ||
| 1635 | A | 92.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 3% | 0.025 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 32.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | L1468 F1477 R1628 T1631 V1727 | L1468-A1635 HydrophobicContact CD2-CB 4.21Å; F1477-A1635 HydrophobicContact CD1-CB 4.25Å; F1477-A1635 HydrophobicContact CD2-CB 4.36Å; F1477-A1635 HydrophobicContact CE1-CB 3.78Å; F1477-A1635 HydrophobicContact CE2-CB 3.92Å; F1477-A1635 HydrophobicContact CZ-CB 3.61Å; R1628-A1635 HydrophobicContact CB-CB 4.02Å; R1628-A1635 HydrophobicContact CG-CB 4.06Å; R1628-A1635 CarbonylContact O-C 3.09Å; T1631-A1635 HydrophobicContact CG2-CB 3.76Å; A1635-V1727 HydrophobicContact CB-CG2 3.93Å |
| 1636 | T | 92.4 | Very high | 90.3 | Very high | 17 Ų | 17 | 25.7 Ų | 25.7 | 10% | 0.104 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -41.3 | -177.8 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | R1634 D1754 I1755 | R1634-T1636 PolarHBondContact O-N 2.99Å; T1636-D1754 CarbonylContact O-C 3.51Å; T1636-D1754 VanDerWaalsContact O-CA 3.25Å; T1636-D1754 WeakPolarHBondContact O-CA 3.46Å; T1636-I1755 HydrophobicContact CG2-CB 4.29Å; T1636-I1755 PolarHBondContact O-N 3.33Å |
| 1637 | C | 92.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.034 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -151.7 | 117.1 | 173.2 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | R1634 D1653 F1756 | R1634-C1637 PolarHBondContact NH1-O 3.42Å; C1637-D1653 WeakPolarHBondContact CB-OD2 3.39Å; C1637-F1756 HydrophobicContact CB-CE1 3.92Å; C1637-F1756 HydrophobicContact CB-CZ 4.35Å |
| 1638 | G | 91.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 137.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1640 K1728 | G1638-P1640 WeakPolarHBondContact O-CD 2.94Å; G1638-K1728 WeakPolarHBondContact CA-O 3.25Å |
| 1639 | L | 93.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 120.5 | -177.5 | -63.9 | 174.6 | 0 | 0 | 0 | 112.6 | W1651 L1718 L1721 L1726 V1727 K1728 E1729 | L1639-W1651 HydrophobicContact CD2-CH2 4.08Å; L1639-L1718 HydrophobicContact CB-CD1 4.22Å; L1639-L1718 HydrophobicContact CD2-CD1 3.97Å; L1639-L1721 HydrophobicContact CD1-CB 3.86Å; L1639-L1726 HydrophobicContact CD1-CB 3.83Å; L1639-L1726 HydrophobicContact CD1-CD1 3.85Å; L1639-V1727 PolarHBondContact N-O 2.95Å; L1639-V1727 VanDerWaalsContact N-O 3.07Å; L1639-K1728 CarbonylContact O-C 3.54Å; L1639-E1729 PolarHBondContact O-N 2.86Å |
| 1640 | P | 92.2 | Very high | 88.6 | Confident | 8 Ų | 8 | 27.2 Ų | 27.2 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 164.9 | 170.3 | 29.6 | -34.9 | 0 | 0 | 0 | 111.1 | G1638 W1651 L1718 N1722 | G1638-P1640 WeakPolarHBondContact O-CD 2.94Å; P1640-W1651 HydrophobicContact CG-CE3 3.8Å; P1640-W1651 HydrophobicContact CG-CZ3 3.69Å; P1640-L1718 HydrophobicContact CG-CD2 4.21Å; P1640-L1718 WeakPolarHBondContact O-CD2 3.39Å; P1640-N1722 PolarHBondContact O-ND2 2.91Å |
| 1641 | Q | 89.4 | Confident | 88.7 | Confident | 93 Ų | 93 | 27.2 Ų | 27.2 | 44% | 0.435 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -72.8 | -39.1 | -177.7 | -53.1 | -179.5 | 22.3 | 0 | 0 | 111.8 | D1459 T1460 N1722 | D1459-Q1641 HydrophobicContact CB-CB 4.09Å; D1459-Q1641 HydrophobicContact CB-CG 4.21Å; D1459-Q1641 PolarHBondContact OD2-N 3.45Å; T1460-Q1641 PolarHBondContact O-NE2 2.88Å; T1460-Q1641 PolarHBondContact OG1-NE2 2.9Å; Q1641-N1722 PolarHBondContact O-ND2 2.97Å |
| 1642 | S | 89.4 | Confident | 88.8 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -123.7 | 141.1 | -175.8 | -53 | 0 | 0 | 0 | 0 | 111.4 | D1459 C1644 L1718 | D1459-S1642 VanDerWaalsContact OD1-CB 3.23Å; D1459-S1642 WeakPolarHBondContact OD1-CB 3.49Å; D1459-S1642 PolarHBondContact OD1-OG 2.72Å; D1459-S1642 WeakPolarHBondContact OD2-CA 3.36Å; D1459-S1642 VanDerWaalsContact OD2-CB 3.31Å; D1459-S1642 WeakPolarHBondContact OD2-CB 3.35Å; D1459-S1642 PolarHBondContact OD2-N 2.98Å; S1642-C1644 PolarHBondContact O-N 2.72Å; S1642-L1718 VanDerWaalsContact C-CD2 3.47Å |
| 1643 | Y | 91.4 | Very high | 89.1 | Confident | 18 Ų | 18 | 24 Ų | 24 | 7% | 0.071 | 13% | 0.13 | C | C | . | . | trans | -86.5 | 106.9 | 178.6 | 176 | -103.6 | 0 | 0 | 0 | 110.2 | V1645 W1651 L1656 P1657 G1710 P1711 E1714 R1715 | Y1643-V1645 HydrophobicContact CE1-CG1 3.86Å; Y1643-W1651 HydrophobicContact CD2-CB 4.12Å; Y1643-W1651 AromaticContact CD2-CD2 3.67Å; Y1643-W1651 HydrophobicContact CD2-CD2 3.67Å; Y1643-W1651 AromaticContact CD2-CE3 3.56Å; Y1643-W1651 HydrophobicContact CD2-CE3 3.56Å; Y1643-W1651 AromaticContact CD2-CG 3.95Å; Y1643-W1651 HydrophobicContact CD2-CG 3.95Å; Y1643-W1651 HydrophobicContact CD2-CZ3 4.21Å; Y1643-W1651 HydrophobicContact CE2-CB 3.73Å; Y1643-W1651 AromaticContact CE2-CD1 3.98Å; Y1643-W1651 AromaticContact CE2-CD2 3.62Å; Y1643-W1651 HydrophobicContact CE2-CD2 3.62Å; Y1643-W1651 HydrophobicContact CE2-CE3 4.03Å; Y1643-W1651 AromaticContact CE2-CG 3.49Å; Y1643-W1651 HydrophobicContact CE2-CG 3.49Å; Y1643-W1651 VanDerWaalsContact CE2-CG 3.49Å; Y1643-L1656 WeakPolarHBondContact OH-CD2 3.34Å; Y1643-P1657 HydrophobicContact CD2-CG 3.41Å; Y1643-P1657 VanDerWaalsContact CD2-CG 3.41Å; Y1643-P1657 HydrophobicContact CE2-CG 3.71Å; Y1643-P1657 HydrophobicContact CG-CG 4.05Å; Y1643-G1710 PolarHBondContact O-N 3.37Å; Y1643-P1711 HydrophobicContact CE1-CG 4.08Å; Y1643-E1714 HydrophobicContact CD1-CB 3.57Å; Y1643-E1714 HydrophobicContact CE1-CB 3.48Å; Y1643-E1714 VanDerWaalsContact CE1-CB 3.48Å; Y1643-E1714 HydrophobicContact CE1-CG 4.08Å; Y1643-E1714 HydrophobicContact CE2-CB 4.44Å; Y1643-E1714 HydrophobicContact CG-CB 4.11Å; Y1643-R1715 HydrophobicContact CD1-CG 4.23Å | ||
| 1644 | C | 89.6 | Confident | 89.2 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -111.3 | 140.3 | 178 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | S1642 N1649 W1651 H1708 | S1642-C1644 PolarHBondContact O-N 2.72Å; C1644-N1649 HydrophobicContact CB-CB 4.23Å; C1644-N1649 WeakPolarHBondContact CB-O 3.34Å; C1644-W1651 PolarHBondContact O-N 2.72Å; C1644-H1708 CarbonylContact C-O 3.46Å; C1644-H1708 VanDerWaalsContact CA-O 3.24Å; C1644-H1708 WeakPolarHBondContact CA-O 3.23Å; C1644-H1708 HydrophobicContact CB-CB 3.99Å; C1644-H1708 WeakPolarHBondContact CB-O 3.44Å |
| 1645 | V | 87.1 | Confident | 89.2 | Confident | 70 Ų | 70 | 25.5 Ų | 25.5 | 42% | 0.424 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -97.3 | -5 | 179.9 | -68.7 | 0 | 0 | 0 | 0 | 113.7 | Y1643 H1708 | Y1643-V1645 HydrophobicContact CE1-CG1 3.86Å; V1645-H1708 PolarHBondContact N-O 2.89Å |
| 1646 | S | 84.9 | Confident | 89.2 | Confident | 47 Ų | 47 | 28.6 Ų | 28.6 | 33% | 0.329 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -156.8 | -176.7 | 178.7 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | H1708 | S1646-H1708 WeakPolarHBondContact O-CB 3.35Å; S1646-H1708 PolarHBondContact OG-ND1 2.94Å |
| 1647 | G | 79.9 | Confident | 89.2 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | 71.2 | -171.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1649 Q1650 | G1647-N1649 PolarHBondContact O-N 2.88Å; G1647-Q1650 WeakPolarHBondContact O-CB 3.23Å; G1647-Q1650 PolarHBondContact O-N 2.76Å; G1647-Q1650 VanDerWaalsContact O-N 3.11Å |
| 1648 | P | 78.1 | Confident | 89.3 | Confident | 21 Ų | 21 | 28 Ų | 28 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -66.4 | -10.7 | -172.3 | 26.7 | -37 | 0 | 0 | 0 | 114.6 | D1431 I1434 Y1458 F1767 | D1431-P1648 VanDerWaalsContact OD1-CD 3.28Å; D1431-P1648 WeakPolarHBondContact OD1-CD 3.37Å; I1434-P1648 HydrophobicContact CG2-CB 4.17Å; I1434-P1648 HydrophobicContact CG2-CG 3.86Å; Y1458-P1648 HydrophobicContact CD2-CG 3.81Å; Y1458-P1648 HydrophobicContact CE2-CG 3.6Å; P1648-F1767 WeakPolarHBondContact O-CE1 3.49Å |
| 1649 | N | 84.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -113 | 20.3 | 179.2 | -69.4 | -58 | 0 | 0 | 0 | 112.8 | K1439 Y1453 C1644 G1647 W1651 | K1439-N1649 WeakPolarHBondContact CD-OD1 3.41Å; K1439-N1649 VanDerWaalsContact CE-OD1 3.27Å; K1439-N1649 WeakPolarHBondContact CE-OD1 3.48Å; K1439-N1649 PolarHBondContact NZ-OD1 3.39Å; Y1453-N1649 PolarHBondContact OH-ND2 3.47Å; Y1453-N1649 PolarHBondContact OH-OD1 2.82Å; C1644-N1649 HydrophobicContact CB-CB 4.23Å; C1644-N1649 WeakPolarHBondContact CB-O 3.34Å; G1647-N1649 PolarHBondContact O-N 2.88Å; N1649-W1651 PolarHBondContact O-N 2.96Å |
| 1650 | Q | 88.3 | Confident | 89.2 | Confident | 77 Ų | 77 | 32.2 Ų | 32.2 | 36% | 0.36 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -54.7 | 134.6 | -179.8 | -176.1 | 171 | 2 | 0 | 0 | 112.2 | G1647 R1652 P1765 | G1647-Q1650 WeakPolarHBondContact O-CB 3.23Å; G1647-Q1650 PolarHBondContact O-N 2.76Å; G1647-Q1650 VanDerWaalsContact O-N 3.11Å; Q1650-R1652 PolarHBondContact O-N 2.93Å; Q1650-P1765 HydrophobicContact CG-CG 4.15Å |
| 1651 | W | 91.4 | Very high | 89.2 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 9% | 0.087 | 17% | 0.171 | C | C | . | . | trans | -57.8 | 126.9 | 178 | -172.9 | -101.3 | 0 | 0 | 0 | 112.7 | L1639 P1640 Y1643 C1644 N1649 D1653 K1655 P1657 I1660 L1718 | L1639-W1651 HydrophobicContact CD2-CH2 4.08Å; P1640-W1651 HydrophobicContact CG-CE3 3.8Å; P1640-W1651 HydrophobicContact CG-CZ3 3.69Å; Y1643-W1651 HydrophobicContact CD2-CB 4.12Å; Y1643-W1651 AromaticContact CD2-CD2 3.67Å; Y1643-W1651 HydrophobicContact CD2-CD2 3.67Å; Y1643-W1651 AromaticContact CD2-CE3 3.56Å; Y1643-W1651 HydrophobicContact CD2-CE3 3.56Å; Y1643-W1651 AromaticContact CD2-CG 3.95Å; Y1643-W1651 HydrophobicContact CD2-CG 3.95Å; Y1643-W1651 HydrophobicContact CD2-CZ3 4.21Å; Y1643-W1651 HydrophobicContact CE2-CB 3.73Å; Y1643-W1651 AromaticContact CE2-CD1 3.98Å; Y1643-W1651 AromaticContact CE2-CD2 3.62Å; Y1643-W1651 HydrophobicContact CE2-CD2 3.62Å; Y1643-W1651 HydrophobicContact CE2-CE3 4.03Å; Y1643-W1651 AromaticContact CE2-CG 3.49Å; Y1643-W1651 HydrophobicContact CE2-CG 3.49Å; Y1643-W1651 VanDerWaalsContact CE2-CG 3.49Å; C1644-W1651 PolarHBondContact O-N 2.72Å; N1649-W1651 PolarHBondContact O-N 2.96Å; W1651-D1653 HydrophobicContact CD2-CB 4.43Å; W1651-D1653 HydrophobicContact CH2-CB 4.47Å; W1651-D1653 HydrophobicContact CZ2-CB 3.54Å; W1651-D1653 PolarHBondContact NE1-O 2.93Å; W1651-K1655 WeakPolarHBondContact CZ2-O 3.41Å; W1651-K1655 PolarHBondContact NE1-O 3.44Å; W1651-P1657 HydrophobicContact CD2-CG 4.48Å; W1651-P1657 HydrophobicContact CE3-CG 4.41Å; W1651-P1657 HydrophobicContact CH2-CG 3.75Å; W1651-P1657 HydrophobicContact CZ2-CG 3.81Å; W1651-P1657 HydrophobicContact CZ3-CG 4.04Å; W1651-I1660 HydrophobicContact CH2-CD1 4.01Å; W1651-I1660 HydrophobicContact CZ2-CD1 3.59Å; W1651-L1718 HydrophobicContact CH2-CD1 4Å; W1651-L1718 HydrophobicContact CZ3-CD1 3.78Å; W1651-L1718 HydrophobicContact CZ3-CD2 3.93Å; W1651-L1718 HydrophobicContact CZ3-CG 4.45Å | ||
| 1652 | R | 90.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | trans | -103.3 | -17.3 | -175.9 | -54 | -167.1 | -51.8 | -72.7 | 4 | 114.9 | Q1650 E1729 D1754 G1764 | Q1650-R1652 PolarHBondContact O-N 2.93Å; R1652-E1729 IonicContact CZ-OE1 3.54Å; R1652-E1729 IonicContact NH1-OE1 3.52Å; R1652-E1729 PolarHBondContact NH1-OE1 2.87Å; R1652-D1754 IonicContact CZ-OD2 2.73Å; R1652-D1754 IonicContact NE-OD2 2.69Å; R1652-D1754 PolarHBondContact NE-OD2 3.05Å; R1652-D1754 IonicContact NH2-OD1 2.72Å; R1652-D1754 PolarHBondContact NH2-OD1 3.36Å; R1652-D1754 IonicContact NH2-OD2 2.81Å; R1652-D1754 PolarHBondContact NH2-OD2 3.24Å; R1652-G1764 WeakPolarHBondContact O-CA 3.49Å; R1652-G1764 PolarHBondContact O-N 3.25Å | ||
| 1653 | D | 91.1 | Very high | 89 | Confident | 18 Ų | 18 | 32.1 Ų | 32.1 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | trans | -74.1 | 142 | -170.8 | -152.6 | -64.3 | 0 | 0 | 0 | 111.7 | R1634 C1637 W1651 K1655 | R1634-D1653 IonicContact CZ-OD2 3.88Å; R1634-D1653 IonicContact NH1-OD2 3.81Å; R1634-D1653 PolarHBondContact NH1-OD2 3.05Å; R1634-D1653 IonicContact NH2-OD1 2.69Å; R1634-D1653 PolarHBondContact NH2-OD1 3.24Å; R1634-D1653 IonicContact NH2-OD2 3.4Å; R1634-D1653 PolarHBondContact NH2-OD2 3.46Å; C1637-D1653 WeakPolarHBondContact CB-OD2 3.39Å; W1651-D1653 HydrophobicContact CD2-CB 4.43Å; W1651-D1653 HydrophobicContact CH2-CB 4.47Å; W1651-D1653 HydrophobicContact CZ2-CB 3.54Å; W1651-D1653 PolarHBondContact NE1-O 2.93Å; D1653-K1655 PolarHBondContact O-N 3.41Å; D1653-K1655 PolarHBondContact OD1-N 3.37Å; D1653-K1655 VanDerWaalsContact OD1-N 3.11Å | ||
| 1654 | S | 89.8 | Confident | 88.7 | Confident | 27 Ų | 27 | 32.1 Ų | 32.1 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -63.3 | -24.4 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | P1763 | S1654-P1763 WeakPolarHBondContact OG-CA 3.41Š|
| 1655 | K | 91.2 | Very high | 88.3 | Confident | 61 Ų | 61 | 32.1 Ų | 32.1 | 27% | 0.265 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -102.8 | 146.4 | 176.5 | -71.8 | -171.2 | 173.8 | -174.2 | 0 | 112 | W1651 D1653 E1659 I1660 L1760 | W1651-K1655 WeakPolarHBondContact CZ2-O 3.41Å; W1651-K1655 PolarHBondContact NE1-O 3.44Å; D1653-K1655 PolarHBondContact O-N 3.41Å; D1653-K1655 PolarHBondContact OD1-N 3.37Å; D1653-K1655 VanDerWaalsContact OD1-N 3.11Å; K1655-E1659 WeakPolarHBondContact CA-OE2 3.38Å; K1655-E1659 HydrophobicContact CB-CB 4.29Å; K1655-I1660 HydrophobicContact CB-CD1 4.23Å; K1655-I1660 HydrophobicContact CB-CG1 3.69Å; K1655-L1760 HydrophobicContact CD-CD1 4.48Å; K1655-L1760 VanDerWaalsContact CE-CD2 3.49Å |
| 1656 | L | 92.9 | Very high | 87.8 | Confident | 67 Ų | 67 | 33.3 Ų | 33.3 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | trans | -72.2 | 152.4 | 169.8 | -67 | 174.1 | 0 | 0 | 0 | 111.2 | Y1643 S1658 E1659 I1660 | Y1643-L1656 WeakPolarHBondContact OH-CD2 3.34Å; L1656-S1658 VanDerWaalsContact C-N 3.25Å; L1656-S1658 PolarHBondContact O-N 3.11Å; L1656-S1658 VanDerWaalsContact O-N 3.16Å; L1656-E1659 HydrophobicContact CB-CG 4.11Å; L1656-E1659 PolarHBondContact N-OE2 2.9Å; L1656-E1659 WeakPolarHBondContact O-CB 3.48Å; L1656-E1659 PolarHBondContact O-N 3.46Å; L1656-I1660 WeakPolarHBondContact O-CG1 3.42Å; L1656-I1660 PolarHBondContact O-N 3.3Å | ||
| 1657 | P | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -50.7 | -39 | 176.7 | -30 | 35.8 | 0 | 0 | 0 | 114.8 | Y1643 W1651 I1660 L1661 E1714 A1717 L1718 L1721 | Y1643-P1657 HydrophobicContact CD2-CG 3.41Å; Y1643-P1657 VanDerWaalsContact CD2-CG 3.41Å; Y1643-P1657 HydrophobicContact CE2-CG 3.71Å; Y1643-P1657 HydrophobicContact CG-CG 4.05Å; W1651-P1657 HydrophobicContact CD2-CG 4.48Å; W1651-P1657 HydrophobicContact CE3-CG 4.41Å; W1651-P1657 HydrophobicContact CH2-CG 3.75Å; W1651-P1657 HydrophobicContact CZ2-CG 3.81Å; W1651-P1657 HydrophobicContact CZ3-CG 4.04Å; P1657-I1660 PolarHBondContact O-N 3.03Å; P1657-L1661 WeakPolarHBondContact O-CB 3.49Å; P1657-L1661 PolarHBondContact O-N 3.13Å; P1657-E1714 HydrophobicContact CB-CB 4.38Å; P1657-E1714 WeakPolarHBondContact CB-O 3.43Å; P1657-E1714 HydrophobicContact CG-CB 4.11Å; P1657-A1717 HydrophobicContact CB-CB 3.86Å; P1657-L1718 HydrophobicContact CB-CB 4Å; P1657-L1718 HydrophobicContact CG-CB 4.21Å; P1657-L1721 HydrophobicContact CB-CD1 4.44Å; P1657-L1721 WeakPolarHBondContact O-CD1 3.12Å |
| 1658 | S | 93.6 | Very high | 86.8 | Confident | 11 Ų | 11 | 35 Ų | 35 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.7 | -29.5 | 176.7 | 58 | 0 | 0 | 0 | 0 | 114.1 | L1656 L1662 Y1675 K1713 E1714 | L1656-S1658 VanDerWaalsContact C-N 3.25Å; L1656-S1658 PolarHBondContact O-N 3.11Å; L1656-S1658 VanDerWaalsContact O-N 3.16Å; S1658-L1662 WeakPolarHBondContact O-CB 3.47Å; S1658-L1662 PolarHBondContact O-N 2.82Å; S1658-Y1675 WeakPolarHBondContact CB-OH 3.32Å; S1658-K1713 PolarHBondContact OG-NZ 3.26Å; S1658-E1714 WeakPolarHBondContact CB-OE2 3.44Å; S1658-E1714 PolarHBondContact N-OE2 2.97Å; S1658-E1714 PolarHBondContact OG-OE1 3.31Å; S1658-E1714 PolarHBondContact OG-OE2 3.43Å |
| 1659 | E | 92.7 | Very high | 86.3 | Confident | 91 Ų | 91 | 38.3 Ų | 38.3 | 43% | 0.425 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75 | -34.5 | 174.4 | -60.3 | 172.8 | 151.7 | 0 | 0 | 111.4 | K1655 L1656 A1663 | K1655-E1659 WeakPolarHBondContact CA-OE2 3.38Å; K1655-E1659 HydrophobicContact CB-CB 4.29Å; L1656-E1659 HydrophobicContact CB-CG 4.11Å; L1656-E1659 PolarHBondContact N-OE2 2.9Å; L1656-E1659 WeakPolarHBondContact O-CB 3.48Å; L1656-E1659 PolarHBondContact O-N 3.46Å; E1659-A1663 WeakPolarHBondContact O-CB 3.44Å; E1659-A1663 PolarHBondContact O-N 2.79Å |
| 1660 | I | 91.6 | Very high | 85.8 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -46.1 | 171.2 | -61.7 | 164.9 | 0 | 0 | 0 | 109.5 | R1634 W1651 K1655 L1656 P1657 L1662 A1663 V1664 L1721 | R1634-I1660 VanDerWaalsContact NH2-CD1 3.25Å; W1651-I1660 HydrophobicContact CH2-CD1 4.01Å; W1651-I1660 HydrophobicContact CZ2-CD1 3.59Å; K1655-I1660 HydrophobicContact CB-CD1 4.23Å; K1655-I1660 HydrophobicContact CB-CG1 3.69Å; L1656-I1660 WeakPolarHBondContact O-CG1 3.42Å; L1656-I1660 PolarHBondContact O-N 3.3Å; P1657-I1660 PolarHBondContact O-N 3.03Å; I1660-L1662 VanDerWaalsContact C-N 3.31Å; I1660-L1662 PolarHBondContact O-N 2.91Å; I1660-A1663 PolarHBondContact O-N 3.12Å; I1660-V1664 HydrophobicContact CG2-CG2 4.3Å; I1660-V1664 WeakPolarHBondContact O-CB 3.48Å; I1660-V1664 VanDerWaalsContact O-CG2 3.26Å; I1660-V1664 WeakPolarHBondContact O-CG2 3.41Å; I1660-V1664 PolarHBondContact O-N 3.19Å; I1660-L1721 HydrophobicContact CB-CD1 3.88Å; I1660-L1721 HydrophobicContact CG2-CD1 3.74Å; I1660-L1721 HydrophobicContact CG2-CD2 3.86Å; I1660-L1721 HydrophobicContact CG2-CG 4.49Å |
| 1661 | L | 91 | Very high | 85.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 177.6 | -174.7 | 63.1 | 0 | 0 | 0 | 112.1 | P1657 C1665 P1673 V1689 A1717 I1720 L1721 | P1657-L1661 WeakPolarHBondContact O-CB 3.49Å; P1657-L1661 PolarHBondContact O-N 3.13Å; L1661-C1665 PolarHBondContact O-N 3.17Å; L1661-C1665 PolarHBondContact O-SG 3.08Å; L1661-P1673 HydrophobicContact CB-CG 4.47Å; L1661-P1673 HydrophobicContact CD2-CB 4.22Å; L1661-P1673 HydrophobicContact CD2-CG 4.09Å; L1661-P1673 HydrophobicContact CG-CB 4.47Å; L1661-P1673 HydrophobicContact CG-CG 3.8Å; L1661-V1689 HydrophobicContact CD1-CG2 4.41Å; L1661-V1689 HydrophobicContact CD2-CG2 4.03Å; L1661-V1689 HydrophobicContact CG-CG2 4.42Å; L1661-A1717 HydrophobicContact CD2-CB 4.18Å; L1661-I1720 HydrophobicContact CD1-CB 4.43Å; L1661-I1720 HydrophobicContact CD1-CG2 3.76Å; L1661-I1720 HydrophobicContact CD2-CB 4.34Å; L1661-I1720 HydrophobicContact CD2-CD1 4.01Å; L1661-I1720 HydrophobicContact CD2-CG2 4.26Å; L1661-L1721 HydrophobicContact CB-CD1 4.38Å; L1661-L1721 HydrophobicContact CB-CD2 4.23Å; L1661-L1721 HydrophobicContact CB-CG 4.23Å; L1661-L1721 HydrophobicContact CD1-CD2 4Å; L1661-L1721 HydrophobicContact CD1-CG 4.2Å |
| 1662 | L | 90.7 | Very high | 84.9 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -53.3 | 171 | 177.3 | 62.8 | 0 | 0 | 0 | 111.5 | S1658 I1660 V1664 C1665 D1666 A1672 | S1658-L1662 WeakPolarHBondContact O-CB 3.47Å; S1658-L1662 PolarHBondContact O-N 2.82Å; I1660-L1662 VanDerWaalsContact C-N 3.31Å; I1660-L1662 PolarHBondContact O-N 2.91Å; L1662-V1664 VanDerWaalsContact C-N 3.27Å; L1662-V1664 PolarHBondContact O-N 2.83Å; L1662-C1665 CarbonylContact O-C 3.49Å; L1662-C1665 WeakPolarHBondContact O-CA 3.4Å; L1662-C1665 WeakPolarHBondContact O-CB 3.46Å; L1662-C1665 PolarHBondContact O-N 2.91Å; L1662-D1666 PolarHBondContact O-N 3Å; L1662-A1672 HydrophobicContact CD1-CB 3.61Å |
| 1663 | A | 85.1 | Confident | 84.8 | Confident | 35 Ų | 35 | 42 Ų | 42 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.1 | -33.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1659 I1660 S1667 | E1659-A1663 WeakPolarHBondContact O-CB 3.44Å; E1659-A1663 PolarHBondContact O-N 2.79Å; I1660-A1663 PolarHBondContact O-N 3.12Å; A1663-S1667 WeakPolarHBondContact O-CB 3.19Å; A1663-S1667 PolarHBondContact O-N 3.28Å; A1663-S1667 PolarHBondContact O-OG 2.9Å |
| 1664 | V | 83.7 | Confident | 84.6 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -51.1 | 170.2 | 167.2 | 0 | 0 | 0 | 0 | 109.6 | I1660 L1662 D1666 S1667 Y1668 L1721 L1724 L1726 | I1660-V1664 HydrophobicContact CG2-CG2 4.3Å; I1660-V1664 WeakPolarHBondContact O-CB 3.48Å; I1660-V1664 VanDerWaalsContact O-CG2 3.26Å; I1660-V1664 WeakPolarHBondContact O-CG2 3.41Å; I1660-V1664 PolarHBondContact O-N 3.19Å; L1662-V1664 VanDerWaalsContact C-N 3.27Å; L1662-V1664 PolarHBondContact O-N 2.83Å; V1664-D1666 VanDerWaalsContact C-N 3.33Å; V1664-D1666 PolarHBondContact O-N 3.2Å; V1664-S1667 WeakPolarHBondContact CA-OG 3.26Å; V1664-S1667 PolarHBondContact O-N 2.99Å; V1664-S1667 VanDerWaalsContact O-N 3.15Å; V1664-S1667 PolarHBondContact O-OG 3.03Å; V1664-Y1668 HydrophobicContact CG1-CD2 3.84Å; V1664-Y1668 HydrophobicContact CG1-CE2 3.97Å; V1664-Y1668 VanDerWaalsContact O-CD2 3.26Å; V1664-Y1668 WeakPolarHBondContact O-CD2 3.42Å; V1664-Y1668 PolarHBondContact O-N 3.08Å; V1664-L1721 HydrophobicContact CG2-CD2 4.06Å; V1664-L1724 HydrophobicContact CG1-CD1 3.76Å; V1664-L1726 HydrophobicContact CG2-CD1 4.27Å |
| 1665 | C | 81.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.6 | -46.7 | 176.1 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | L1661 L1662 S1667 Y1668 S1669 L1670 | L1661-C1665 PolarHBondContact O-N 3.17Å; L1661-C1665 PolarHBondContact O-SG 3.08Å; L1662-C1665 CarbonylContact O-C 3.49Å; L1662-C1665 WeakPolarHBondContact O-CA 3.4Å; L1662-C1665 WeakPolarHBondContact O-CB 3.46Å; L1662-C1665 PolarHBondContact O-N 2.91Å; C1665-S1667 VanDerWaalsContact C-N 3.35Å; C1665-S1667 PolarHBondContact O-N 3.46Å; C1665-Y1668 CarbonylContact O-C 3.49Å; C1665-Y1668 PolarHBondContact O-N 3.48Å; C1665-Y1668 VanDerWaalsContact O-N 3.17Å; C1665-S1669 PolarHBondContact O-N 2.85Å; C1665-L1670 HydrophobicContact CB-CB 3.94Å; C1665-L1670 PolarHBondContact O-N 3.49Å |
| 1666 | D | 78.2 | Confident | 83.8 | Confident | 96 Ų | 96 | 47.1 Ų | 47.1 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 177.1 | -64 | -28.8 | 0 | 0 | 0 | 111.7 | L1662 V1664 Y1668 S1669 | L1662-D1666 PolarHBondContact O-N 3Å; V1664-D1666 VanDerWaalsContact C-N 3.33Å; V1664-D1666 PolarHBondContact O-N 3.2Å; D1666-Y1668 VanDerWaalsContact C-N 3.29Å; D1666-Y1668 PolarHBondContact O-N 3.13Å; D1666-S1669 PolarHBondContact O-N 3.46Å |
| 1667 | S | 72.9 | Confident | 82.6 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 43% | 0.427 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.8 | -31 | 177.6 | 71.6 | 0 | 0 | 0 | 0 | 113.8 | A1663 V1664 C1665 | A1663-S1667 WeakPolarHBondContact O-CB 3.19Å; A1663-S1667 PolarHBondContact O-N 3.28Å; A1663-S1667 PolarHBondContact O-OG 2.9Å; V1664-S1667 WeakPolarHBondContact CA-OG 3.26Å; V1664-S1667 PolarHBondContact O-N 2.99Å; V1664-S1667 VanDerWaalsContact O-N 3.15Å; V1664-S1667 PolarHBondContact O-OG 3.03Å; C1665-S1667 VanDerWaalsContact C-N 3.35Å; C1665-S1667 PolarHBondContact O-N 3.46Å |
| 1668 | Y | 70.4 | Confident | 81.2 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 17% | 0.169 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 8.6 | 173.4 | -70.7 | -75.4 | 0 | 0 | 0 | 113.1 | I1388 V1664 C1665 D1666 L1670 | I1388-Y1668 HydrophobicContact CD1-CE1 4.39Å; V1664-Y1668 HydrophobicContact CG1-CD2 3.84Å; V1664-Y1668 HydrophobicContact CG1-CE2 3.97Å; V1664-Y1668 VanDerWaalsContact O-CD2 3.26Å; V1664-Y1668 WeakPolarHBondContact O-CD2 3.42Å; V1664-Y1668 PolarHBondContact O-N 3.08Å; C1665-Y1668 CarbonylContact O-C 3.49Å; C1665-Y1668 PolarHBondContact O-N 3.48Å; C1665-Y1668 VanDerWaalsContact O-N 3.17Å; D1666-Y1668 VanDerWaalsContact C-N 3.29Å; D1666-Y1668 PolarHBondContact O-N 3.13Å; Y1668-L1670 PolarHBondContact O-N 2.69Å |
| 1669 | S | 67.8 | Low | 79.7 | Confident | 90 Ų | 90 | 59 Ų | 59 | 63% | 0.629 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 31 | -176.5 | -57.7 | 0 | 0 | 0 | 0 | 114.7 | C1665 D1666 | C1665-S1669 PolarHBondContact O-N 2.85Å; D1666-S1669 PolarHBondContact O-N 3.46Å |
| 1670 | L | 72.9 | Confident | 78.1 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 151.8 | 175.5 | -65.8 | 174.9 | 0 | 0 | 0 | 111.3 | L1385 C1665 Y1668 V1689 | L1385-L1670 HydrophobicContact CD1-CD1 4.35Å; L1385-L1670 HydrophobicContact CD1-CD2 3.98Å; L1385-L1670 HydrophobicContact CD1-CG 4.44Å; C1665-L1670 HydrophobicContact CB-CB 3.94Å; C1665-L1670 PolarHBondContact O-N 3.49Å; Y1668-L1670 PolarHBondContact O-N 2.69Å; L1670-V1689 HydrophobicContact CD1-CG1 4.47Å |
| 1671 | P | 77.5 | Confident | 76.5 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 142.6 | 169.6 | -22.5 | 33.3 | 0 | 0 | 0 | 112 | ||
| 1672 | A | 84.5 | Confident | 75 | Confident | 55 Ų | 55 | 76 Ų | 76 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 138.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1662 Q1674 | L1662-A1672 HydrophobicContact CD1-CB 3.61Å; A1672-Q1674 PolarHBondContact O-N 2.77Å |
| 1673 | P | 88 | Confident | 73.8 | Confident | 19 Ų | 19 | 77.4 Ų | 77.4 | 12% | 0.123 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 125 | -177.2 | -26.5 | 33.7 | 0 | 0 | 0 | 113.4 | L1661 Y1675 V1689 | L1661-P1673 HydrophobicContact CB-CG 4.47Å; L1661-P1673 HydrophobicContact CD2-CB 4.22Å; L1661-P1673 HydrophobicContact CD2-CG 4.09Å; L1661-P1673 HydrophobicContact CG-CB 4.47Å; L1661-P1673 HydrophobicContact CG-CG 3.8Å; P1673-Y1675 HydrophobicContact CB-CE2 3.95Å; P1673-V1689 HydrophobicContact CB-CG2 4.16Å; P1673-V1689 HydrophobicContact CG-CG2 4.38Å |
| 1674 | Q | 86.4 | Confident | 73.2 | Confident | 110 Ų | 110 | 78.5 Ų | 78.5 | 51% | 0.514 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 101.2 | -178.4 | -61.4 | 175.8 | -1.5 | 0 | 0 | 110.2 | A1672 C1687 R1688 | A1672-Q1674 PolarHBondContact O-N 2.77Å; Q1674-C1687 CarbonylContact O-C 3.5Å; Q1674-C1687 WeakPolarHBondContact O-CA 3.42Å; Q1674-R1688 HydrophobicContact CB-CB 4.26Å; Q1674-R1688 PolarHBondContact N-O 2.86Å; Q1674-R1688 PolarHBondContact O-N 3.31Å |
| 1675 | Y | 85.3 | Confident | 73 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 27% | 0.271 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.1 | 173.6 | -64 | -88.5 | 0 | 0 | 0 | 110.6 | S1658 P1673 S1686 C1687 K1713 A1717 | S1658-Y1675 WeakPolarHBondContact CB-OH 3.32Å; P1673-Y1675 HydrophobicContact CB-CE2 3.95Å; Y1675-S1686 WeakPolarHBondContact CA-O 3.24Å; Y1675-C1687 HydrophobicContact CD1-CB 3.76Å; Y1675-C1687 HydrophobicContact CE1-CB 3.79Å; Y1675-K1713 HydrophobicContact CD1-CD 4.44Å; Y1675-K1713 HydrophobicContact CD1-CG 3.8Å; Y1675-K1713 HydrophobicContact CE1-CG 3.74Å; Y1675-K1713 HydrophobicContact CG-CG 4.35Å; Y1675-A1717 WeakPolarHBondContact OH-CB 3.23Å |
| 1676 | G | 78.4 | Confident | 73.2 | Confident | 35 Ų | 35 | 80.2 Ų | 80.2 | 36% | 0.361 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 141.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1678 S1686 | G1676-T1678 PolarHBondContact O-N 2.9Å; G1676-S1686 PolarHBondContact N-O 2.82Å |
| 1677 | E | 68.5 | Low | 73.7 | Confident | 176 Ų | 176 | 75.6 Ų | 75.6 | 82% | 0.822 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 128.5 | 174.4 | -67 | -175.8 | 157.2 | 0 | 0 | 111.5 | T1679 | E1677-T1679 PolarHBondContact O-N 2.95Š|
| 1678 | T | 64 | Low | 74.2 | Confident | 89 Ų | 89 | 78.3 Ų | 78.3 | 55% | 0.546 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 120.1 | 171.7 | 33.2 | 0 | 0 | 0 | 0 | 110.5 | G1676 P1683 P1685 | G1676-T1678 PolarHBondContact O-N 2.9Å; T1678-P1683 WeakPolarHBondContact CG2-O 3.21Å; T1678-P1685 HydrophobicContact CG2-CB 4.42Å; T1678-P1685 HydrophobicContact CG2-CG 4.18Å |
| 1679 | T | 63.2 | Low | 74.7 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 39% | 0.387 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -121.1 | 165 | 179.9 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | E1677 S1681 K1682 | E1677-T1679 PolarHBondContact O-N 2.95Å; T1679-S1681 PolarHBondContact O-N 3.45Å; T1679-S1681 VanDerWaalsContact O-N 3.11Å; T1679-S1681 PolarHBondContact OG1-OG 3.33Å; T1679-K1682 PolarHBondContact N-O 3.49Å; T1679-K1682 CarbonylContact O-C 3.16Å; T1679-K1682 PolarHBondContact O-N 3.16Å; T1679-K1682 VanDerWaalsContact O-O 3.04Å; T1679-K1682 PolarHBondContact OG1-N 3.14Å |
| 1680 | E | 59.3 | Low | 75 | Confident | 204 Ų | 204 | 73.6 Ų | 73.6 | 95% | 0.953 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.3 | 175.5 | -67.5 | -172.6 | 153.4 | 0 | 0 | 113 | ||
| 1681 | S | 58.3 | Low | 75 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 74% | 0.741 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.1 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | T1679 | T1679-S1681 PolarHBondContact O-N 3.45Å; T1679-S1681 VanDerWaalsContact O-N 3.11Å; T1679-S1681 PolarHBondContact OG1-OG 3.33Å |
| 1682 | K | 59.2 | Low | 74.9 | Confident | 141 Ų | 141 | 77.9 Ų | 77.9 | 61% | 0.613 | 42% | 0.416 | S | S | * | . | B | Isolated β-bridge | trans | -140.4 | 80.5 | 174.2 | -71.1 | -171.7 | 177.5 | -176.8 | 0 | 109.7 | T1679 N1684 | T1679-K1682 PolarHBondContact N-O 3.49Å; T1679-K1682 CarbonylContact O-C 3.16Å; T1679-K1682 PolarHBondContact O-N 3.16Å; T1679-K1682 VanDerWaalsContact O-O 3.04Å; T1679-K1682 PolarHBondContact OG1-N 3.14Å; K1682-N1684 VanDerWaalsContact C-N 3.27Å; K1682-N1684 PolarHBondContact O-N 3.25Å |
| 1683 | P | 65.1 | Low | 74.8 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | trans | -70.6 | -21.5 | -175.9 | 27.9 | -35.7 | 0 | 0 | 0 | 113.5 | T1678 | T1678-P1683 WeakPolarHBondContact CG2-O 3.21Š| ||
| 1684 | N | 71.5 | Confident | 74.7 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 32% | 0.316 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -89 | 130.6 | -178.6 | -63.8 | -32.8 | 0 | 0 | 0 | 111.3 | K1682 V1695 E1697 | K1682-N1684 VanDerWaalsContact C-N 3.27Å; K1682-N1684 PolarHBondContact O-N 3.25Å; N1684-V1695 HydrophobicContact CB-CG1 3.83Å; N1684-E1697 PolarHBondContact ND2-OE2 3.18Å |
| 1685 | P | 80.8 | Confident | 74.7 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 14% | 0.136 | 40% | 0.4 | C | S | . | . | trans | -59.7 | 144.1 | 171.5 | -14.4 | 24.1 | 0 | 0 | 0 | 111 | T1678 L1696 P1712 L1716 | T1678-P1685 HydrophobicContact CG2-CB 4.42Å; T1678-P1685 HydrophobicContact CG2-CG 4.18Å; P1685-L1696 HydrophobicContact CG-CD2 3.98Å; P1685-L1696 PolarHBondContact O-N 2.97Å; P1685-L1696 VanDerWaalsContact O-N 3.17Å; P1685-P1712 HydrophobicContact CG-CB 3.4Å; P1685-P1712 VanDerWaalsContact CG-CB 3.4Å; P1685-L1716 HydrophobicContact CB-CD2 4.19Å | ||
| 1686 | S | 86 | Confident | 74.7 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.5 | 171.2 | 55 | 0 | 0 | 0 | 0 | 110.4 | Y1675 G1676 F1694 | Y1675-S1686 WeakPolarHBondContact CA-O 3.24Å; G1676-S1686 PolarHBondContact N-O 2.82Å; S1686-F1694 CarbonylContact C-O 3.59Å; S1686-F1694 WeakPolarHBondContact CA-O 3.4Å |
| 1687 | C | 88.3 | Confident | 75 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 127.2 | 179.1 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | Q1674 Y1675 F1694 L1716 I1720 | Q1674-C1687 CarbonylContact O-C 3.5Å; Q1674-C1687 WeakPolarHBondContact O-CA 3.42Å; Y1675-C1687 HydrophobicContact CD1-CB 3.76Å; Y1675-C1687 HydrophobicContact CE1-CB 3.79Å; C1687-F1694 PolarHBondContact N-O 3.07Å; C1687-F1694 PolarHBondContact O-N 2.96Å; C1687-L1716 HydrophobicContact CB-CD2 3.68Å; C1687-L1716 HydrophobicContact CB-CG 4.13Å; C1687-I1720 HydrophobicContact CB-CD1 3.91Å |
| 1688 | R | 83.7 | Confident | 75.7 | Confident | 117 Ų | 117 | 72.9 Ų | 72.9 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.5 | 171.1 | 179.1 | -177.5 | -80 | 147.3 | -8.4 | 109.9 | Q1674 G1690 R1692 V1693 | Q1674-R1688 HydrophobicContact CB-CB 4.26Å; Q1674-R1688 PolarHBondContact N-O 2.86Å; Q1674-R1688 PolarHBondContact O-N 3.31Å; R1688-G1690 WeakPolarHBondContact CG-O 3.35Å; R1688-R1692 WeakPolarHBondContact CA-O 3.39Å; R1688-V1693 HydrophobicContact CB-CG2 4.18Å; R1688-V1693 HydrophobicContact CG-CG2 4.35Å |
| 1689 | V | 79.8 | Confident | 76.7 | Confident | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.4 | 171.3 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | I1394 L1661 L1670 P1673 Q1691 R1692 F1694 I1720 | I1394-V1689 WeakPolarHBondContact CG2-O 3.45Å; L1661-V1689 HydrophobicContact CD1-CG2 4.41Å; L1661-V1689 HydrophobicContact CD2-CG2 4.03Å; L1661-V1689 HydrophobicContact CG-CG2 4.42Å; L1670-V1689 HydrophobicContact CD1-CG1 4.47Å; P1673-V1689 HydrophobicContact CB-CG2 4.16Å; P1673-V1689 HydrophobicContact CG-CG2 4.38Å; V1689-Q1691 PolarHBondContact O-N 3.03Å; V1689-R1692 PolarHBondContact N-O 2.85Å; V1689-R1692 PolarHBondContact O-N 3.05Å; V1689-F1694 HydrophobicContact CB-CE2 4.25Å; V1689-I1720 HydrophobicContact CG2-CD1 4.47Å; V1689-I1720 HydrophobicContact CG2-CG2 4.47Å |
| 1690 | G | 73.8 | Confident | 77.7 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -125.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1688 | R1688-G1690 WeakPolarHBondContact CG-O 3.35Š|
| 1691 | Q | 72.7 | Confident | 78.7 | Confident | 106 Ų | 106 | 70.8 Ų | 70.8 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -26.3 | 176.2 | -58.3 | -157 | 12.1 | 0 | 0 | 113.5 | V1689 | V1689-Q1691 PolarHBondContact O-N 3.03Š|
| 1692 | R | 75.9 | Confident | 79.6 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 136.3 | -174.8 | -158.1 | 172.1 | -171.9 | 149.7 | -10.3 | 112.2 | D1393 I1394 R1688 V1689 F1694 | D1393-R1692 PolarHBondContact O-NH1 2.99Å; I1394-R1692 HydrophobicContact CB-CB 4.24Å; I1394-R1692 HydrophobicContact CG1-CB 4.16Å; I1394-R1692 HydrophobicContact CG2-CB 3.9Å; I1394-R1692 PolarHBondContact O-N 3.34Å; R1688-R1692 WeakPolarHBondContact CA-O 3.39Å; V1689-R1692 PolarHBondContact N-O 2.85Å; V1689-R1692 PolarHBondContact O-N 3.05Å; R1692-F1694 HydrophobicContact CB-CE2 4.14Å; R1692-F1694 HydrophobicContact CB-CZ 4.3Å; R1692-F1694 HydrophobicContact CG-CE1 4.44Å; R1692-F1694 HydrophobicContact CG-CE2 4.33Å; R1692-F1694 HydrophobicContact CG-CZ 4.17Å |
| 1693 | V | 82.7 | Confident | 80.4 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.2 | 170.7 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | R1688 | R1688-V1693 HydrophobicContact CB-CG2 4.18Å; R1688-V1693 HydrophobicContact CG-CG2 4.35Å |
| 1694 | F | 85.9 | Confident | 80.8 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 7% | 0.066 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.1 | 175.5 | -62.1 | -85.5 | 0 | 0 | 0 | 109.5 | I1394 S1686 C1687 V1689 R1692 F1699 L1716 I1720 | I1394-F1694 HydrophobicContact CD1-CZ 3.76Å; I1394-F1694 HydrophobicContact CG1-CZ 3.96Å; S1686-F1694 CarbonylContact C-O 3.59Å; S1686-F1694 WeakPolarHBondContact CA-O 3.4Å; C1687-F1694 PolarHBondContact N-O 3.07Å; C1687-F1694 PolarHBondContact O-N 2.96Å; V1689-F1694 HydrophobicContact CB-CE2 4.25Å; R1692-F1694 HydrophobicContact CB-CE2 4.14Å; R1692-F1694 HydrophobicContact CB-CZ 4.3Å; R1692-F1694 HydrophobicContact CG-CE1 4.44Å; R1692-F1694 HydrophobicContact CG-CE2 4.33Å; R1692-F1694 HydrophobicContact CG-CZ 4.17Å; F1694-F1699 HydrophobicContact CB-CE2 4.22Å; F1694-F1699 HydrophobicContact CD1-CE2 4.21Å; F1694-F1699 AromaticContact CD1-CZ 3.81Å; F1694-F1699 HydrophobicContact CD1-CZ 3.81Å; F1694-F1699 HydrophobicContact CE1-CZ 4.48Å; F1694-L1716 HydrophobicContact CB-CD1 3.99Å; F1694-I1720 HydrophobicContact CB-CD1 3.83Å; F1694-I1720 HydrophobicContact CB-CG1 3.89Å; F1694-I1720 HydrophobicContact CD1-CG1 4.08Å; F1694-I1720 HydrophobicContact CD2-CD1 3.71Å; F1694-I1720 HydrophobicContact CD2-CG1 3.77Å; F1694-I1720 HydrophobicContact CD2-CG2 4.39Å; F1694-I1720 HydrophobicContact CE2-CD1 4.45Å; F1694-I1720 HydrophobicContact CE2-CG1 4.27Å; F1694-I1720 HydrophobicContact CE2-CG2 4.11Å; F1694-I1720 HydrophobicContact CG-CD1 3.88Å; F1694-I1720 HydrophobicContact CG-CG1 3.65Å; F1694-I1720 HydrophobicContact CZ-CG2 4.33Å |
| 1695 | V | 87.1 | Confident | 80.8 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 26% | 0.255 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.7 | 175.5 | -173 | 0 | 0 | 0 | 0 | 109 | N1684 E1697 D1698 F1699 | N1684-V1695 HydrophobicContact CB-CG1 3.83Å; V1695-E1697 VanDerWaalsContact C-N 3.3Å; V1695-E1697 PolarHBondContact O-N 3.41Å; V1695-D1698 WeakPolarHBondContact O-CB 3.2Å; V1695-D1698 PolarHBondContact O-N 2.73Å; V1695-F1699 WeakPolarHBondContact O-CD2 3.39Å |
| 1696 | L | 85.4 | Confident | 80.7 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.9 | -36.4 | -175.1 | -178 | 59.1 | 0 | 0 | 0 | 113.7 | P1685 D1698 F1699 E1700 P1712 R1715 L1716 | P1685-L1696 HydrophobicContact CG-CD2 3.98Å; P1685-L1696 PolarHBondContact O-N 2.97Å; P1685-L1696 VanDerWaalsContact O-N 3.17Å; L1696-D1698 PolarHBondContact O-N 2.84Å; L1696-F1699 PolarHBondContact O-N 2.96Å; L1696-E1700 HydrophobicContact CD1-CG 4.19Å; L1696-E1700 PolarHBondContact O-N 2.83Å; L1696-P1712 HydrophobicContact CD2-CB 3.64Å; L1696-R1715 HydrophobicContact CD1-CB 4.04Å; L1696-L1716 HydrophobicContact CB-CB 4.4Å; L1696-L1716 HydrophobicContact CB-CD1 4.44Å; L1696-L1716 HydrophobicContact CD1-CB 4.07Å |
| 1697 | E | 83.9 | Confident | 80.2 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.4 | -29.8 | -179.7 | -174.3 | 171.3 | -158.8 | 0 | 0 | 112.7 | N1684 V1695 F1699 E1700 R1701 | N1684-E1697 PolarHBondContact ND2-OE2 3.18Å; V1695-E1697 VanDerWaalsContact C-N 3.3Å; V1695-E1697 PolarHBondContact O-N 3.41Å; E1697-F1699 PolarHBondContact O-N 3.33Å; E1697-E1700 PolarHBondContact O-N 2.96Å; E1697-R1701 WeakPolarHBondContact O-CB 3.45Å; E1697-R1701 PolarHBondContact O-N 2.83Å; E1697-R1701 VanDerWaalsContact O-N 3.14Å |
| 1698 | D | 83 | Confident | 80 | Confident | 120 Ų | 120 | 68.8 Ų | 68.8 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.2 | -27.2 | -179.6 | -61 | -31.4 | 0 | 0 | 0 | 112.7 | V1695 L1696 | V1695-D1698 WeakPolarHBondContact O-CB 3.2Å; V1695-D1698 PolarHBondContact O-N 2.73Å; L1696-D1698 PolarHBondContact O-N 2.84Å |
| 1699 | F | 84.5 | Confident | 80.1 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -91.6 | -32.5 | 179.9 | -62.5 | -85.4 | 0 | 0 | 0 | 113.1 | F1694 V1695 L1696 E1697 L1716 H1719 K1723 | F1694-F1699 HydrophobicContact CB-CE2 4.22Å; F1694-F1699 HydrophobicContact CD1-CE2 4.21Å; F1694-F1699 AromaticContact CD1-CZ 3.81Å; F1694-F1699 HydrophobicContact CD1-CZ 3.81Å; F1694-F1699 HydrophobicContact CE1-CZ 4.48Å; V1695-F1699 WeakPolarHBondContact O-CD2 3.39Å; L1696-F1699 PolarHBondContact O-N 2.96Å; E1697-F1699 PolarHBondContact O-N 3.33Å; F1699-L1716 HydrophobicContact CD2-CD1 4.27Å; F1699-L1716 HydrophobicContact CE2-CD1 3.97Å; F1699-H1719 HydrophobicContact CB-CB 4.15Å; F1699-H1719 HydrophobicContact CD1-CB 3.68Å; F1699-H1719 HydrophobicContact CD2-CB 3.85Å; F1699-H1719 HydrophobicContact CE1-CB 3.91Å; F1699-H1719 HydrophobicContact CE2-CB 4.08Å; F1699-H1719 HydrophobicContact CG-CB 3.63Å; F1699-H1719 AromaticContact CG-CG 3.73Å; F1699-H1719 HydrophobicContact CZ-CB 4.1Å; F1699-K1723 HydrophobicContact CE1-CG 4.11Å |
| 1700 | E | 84.5 | Confident | 80.5 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -104 | -0.4 | -168.1 | -59.3 | -175 | 158.9 | 0 | 0 | 114 | L1696 E1697 G1702 M1703 R1715 H1719 | L1696-E1700 HydrophobicContact CD1-CG 4.19Å; L1696-E1700 PolarHBondContact O-N 2.83Å; E1697-E1700 PolarHBondContact O-N 2.96Å; E1700-G1702 PolarHBondContact O-N 3.08Å; E1700-M1703 HydrophobicContact CB-SD 4.02Å; E1700-M1703 HydrophobicContact CG-SD 3.93Å; E1700-M1703 PolarHBondContact O-N 2.98Å; E1700-M1703 VanDerWaalsContact O-N 3.07Å; E1700-R1715 IonicContact OE1-CZ 3.96Å; E1700-R1715 IonicContact OE1-NH1 3.11Å; E1700-R1715 PolarHBondContact OE1-NH1 3.26Å; E1700-R1715 IonicContact OE2-CZ 3.73Å; E1700-R1715 IonicContact OE2-NH1 3.21Å; E1700-R1715 PolarHBondContact OE2-NH1 2.82Å; E1700-H1719 WeakPolarHBondContact CG-NE2 3.43Å; E1700-H1719 IonicContact OE1-CD2 3.57Å; E1700-H1719 IonicContact OE1-NE2 2.64Å; E1700-H1719 PolarHBondContact OE1-NE2 3.17Å; E1700-H1719 VanDerWaalsContact OE1-NE2 3.15Å |
| 1701 | R | 80.3 | Confident | 81.2 | Confident | 219 Ų | 219 | 67.5 Ų | 67.5 | 83% | 0.826 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 107.5 | -179.6 | -173.7 | 174.8 | -177.3 | -178.8 | 0.6 | 111.9 | E1697 | E1697-R1701 WeakPolarHBondContact O-CB 3.45Å; E1697-R1701 PolarHBondContact O-N 2.83Å; E1697-R1701 VanDerWaalsContact O-N 3.14Å |
| 1702 | G | 76.6 | Confident | 81.8 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 83% | 0.825 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | 4.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1700 | E1700-G1702 PolarHBondContact O-N 3.08Š|
| 1703 | M | 77.7 | Confident | 82.4 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 39% | 0.389 | 36% | 0.357 | S | S | . | . | trans | -62.2 | 148.2 | 170.2 | -70.7 | -176.2 | 71.6 | 0 | 0 | 111.5 | E1700 | E1700-M1703 HydrophobicContact CB-SD 4.02Å; E1700-M1703 HydrophobicContact CG-SD 3.93Å; E1700-M1703 PolarHBondContact O-N 2.98Å; E1700-M1703 VanDerWaalsContact O-N 3.07Å | ||
| 1704 | V | 73.5 | Confident | 82.9 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 44% | 0.436 | 34% | 0.339 | S | S | . | . | trans | -67.9 | 137.3 | 171.2 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | N1706 | V1704-N1706 PolarHBondContact O-N 3.24Š| ||
| 1705 | P | 70.5 | Confident | 83.2 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 66% | 0.656 | 34% | 0.342 | S | S | * | . | trans | -62.3 | 102.2 | -179.2 | -24.8 | 35.1 | 0 | 0 | 0 | 113 | ||||
| 1706 | N | 78 | Confident | 83.4 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | trans | -86.7 | 120.8 | 173.1 | 175.6 | -14.5 | 0 | 0 | 0 | 109.6 | V1704 H1708 L1709 | V1704-N1706 PolarHBondContact O-N 3.24Å; N1706-H1708 VanDerWaalsContact C-N 3.33Å; N1706-H1708 PolarHBondContact O-N 3.22Å; N1706-H1708 PolarHBondContact OD1-N 2.92Å; N1706-L1709 HydrophobicContact CB-CD1 4.1Å; N1706-L1709 HydrophobicContact CB-CD2 4.42Å; N1706-L1709 HydrophobicContact CB-CG 3.92Å; N1706-L1709 WeakPolarHBondContact O-CD1 3.38Å; N1706-L1709 WeakPolarHBondContact O-CG 3.33Å | ||
| 1707 | P | 75.6 | Confident | 83.7 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 42% | 0.416 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -11.5 | -175 | 30.3 | -35.3 | 0 | 0 | 0 | 115.1 | L1427 | L1427-P1707 HydrophobicContact CD1-CB 3.94Å; L1427-P1707 HydrophobicContact CD2-CB 3.89Å; L1427-P1707 HydrophobicContact CD2-CG 3.68Å; L1427-P1707 HydrophobicContact CG-CB 4.17Å; L1427-P1707 HydrophobicContact CG-CG 4.3Å |
| 1708 | H | 85.2 | Confident | 84.2 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -1.9 | -176.1 | -56.7 | -74.9 | 0 | 0 | 0 | 114 | D1431 Y1458 C1644 V1645 S1646 N1706 G1710 | D1431-H1708 IonicContact OD1-CE1 2.66Å; D1431-H1708 IonicContact OD1-NE2 3.65Å; D1431-H1708 PolarHBondContact OD1-NE2 3Å; D1431-H1708 IonicContact OD2-CE1 3.12Å; D1431-H1708 PolarHBondContact OD2-CE1 2.88Å; D1431-H1708 IonicContact OD2-NE2 2.7Å; Y1458-H1708 AromaticContact CE1-CD2 3.93Å; Y1458-H1708 AromaticContact CZ-CD2 3.83Å; Y1458-H1708 AromaticContact CZ-NE2 3.93Å; Y1458-H1708 PolarHBondContact OH-CD2 3.45Å; Y1458-H1708 PolarHBondContact OH-NE2 2.86Å; C1644-H1708 CarbonylContact C-O 3.46Å; C1644-H1708 VanDerWaalsContact CA-O 3.24Å; C1644-H1708 WeakPolarHBondContact CA-O 3.23Å; C1644-H1708 HydrophobicContact CB-CB 3.99Å; C1644-H1708 WeakPolarHBondContact CB-O 3.44Å; V1645-H1708 PolarHBondContact N-O 2.89Å; S1646-H1708 WeakPolarHBondContact O-CB 3.35Å; S1646-H1708 PolarHBondContact OG-ND1 2.94Å; N1706-H1708 VanDerWaalsContact C-N 3.33Å; N1706-H1708 PolarHBondContact O-N 3.22Å; N1706-H1708 PolarHBondContact OD1-N 2.92Å; H1708-G1710 PolarHBondContact O-N 3.45Å |
| 1709 | L | 85.9 | Confident | 84.6 | Confident | 53 Ų | 53 | 50.4 Ų | 50.4 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -56.5 | 129.7 | -177.7 | -72.6 | 177.5 | 0 | 0 | 0 | 112.3 | N1706 | N1706-L1709 HydrophobicContact CB-CD1 4.1Å; N1706-L1709 HydrophobicContact CB-CD2 4.42Å; N1706-L1709 HydrophobicContact CB-CG 3.92Å; N1706-L1709 WeakPolarHBondContact O-CD1 3.38Å; N1706-L1709 WeakPolarHBondContact O-CG 3.33Å |
| 1710 | G | 87.7 | Confident | 84.8 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | trans | -76.9 | -173.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1643 H1708 R1715 | Y1643-G1710 PolarHBondContact O-N 3.37Å; H1708-G1710 PolarHBondContact O-N 3.45Å; G1710-R1715 WeakPolarHBondContact O-CD 3.35Å; G1710-R1715 PolarHBondContact O-NE 3.1Å | ||
| 1711 | P | 88.7 | Confident | 85.2 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 42% | 0.422 | 26% | 0.259 | S | S | . | . | trans | -48.7 | 137.3 | 173.8 | 15.2 | -32 | 0 | 0 | 0 | 113.5 | Y1643 K1713 E1714 R1715 | Y1643-P1711 HydrophobicContact CE1-CG 4.08Å; P1711-K1713 VanDerWaalsContact C-N 3.26Å; P1711-K1713 PolarHBondContact O-N 3.05Å; P1711-K1713 VanDerWaalsContact O-N 3.14Å; P1711-E1714 HydrophobicContact CG-CB 4.48Å; P1711-E1714 HydrophobicContact CG-CG 4.07Å; P1711-E1714 PolarHBondContact O-N 3.45Å; P1711-E1714 VanDerWaalsContact O-N 3.17Å; P1711-R1715 PolarHBondContact O-N 3.42Å | ||
| 1712 | P | 86.2 | Confident | 85.6 | Confident | 57 Ų | 57 | 37.3 Ų | 37.3 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54.3 | -34.3 | -176.4 | -27.2 | 33 | 0 | 0 | 0 | 115.6 | P1685 L1696 L1716 | P1685-P1712 HydrophobicContact CG-CB 3.4Å; P1685-P1712 VanDerWaalsContact CG-CB 3.4Å; L1696-P1712 HydrophobicContact CD2-CB 3.64Å; P1712-L1716 PolarHBondContact O-N 3.48Å |
| 1713 | K | 88 | Confident | 86 | Confident | 86 Ų | 86 | 39.3 Ų | 39.3 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 178.6 | 178.7 | -179.2 | 165.4 | -102.5 | 0 | 112.4 | S1658 Y1675 P1711 L1716 A1717 | S1658-K1713 PolarHBondContact OG-NZ 3.26Å; Y1675-K1713 HydrophobicContact CD1-CD 4.44Å; Y1675-K1713 HydrophobicContact CD1-CG 3.8Å; Y1675-K1713 HydrophobicContact CE1-CG 3.74Å; Y1675-K1713 HydrophobicContact CG-CG 4.35Å; P1711-K1713 VanDerWaalsContact C-N 3.26Å; P1711-K1713 PolarHBondContact O-N 3.05Å; P1711-K1713 VanDerWaalsContact O-N 3.14Å; K1713-L1716 PolarHBondContact O-N 3.06Å; K1713-A1717 PolarHBondContact O-N 3.21Å; K1713-A1717 VanDerWaalsContact O-N 3.07Å |
| 1714 | E | 93.1 | Very high | 86.4 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.4 | -33.1 | -176.3 | -55.6 | -47.2 | 130.8 | 0 | 0 | 111.4 | Y1643 P1657 S1658 P1711 A1717 L1718 | Y1643-E1714 HydrophobicContact CD1-CB 3.57Å; Y1643-E1714 HydrophobicContact CE1-CB 3.48Å; Y1643-E1714 VanDerWaalsContact CE1-CB 3.48Å; Y1643-E1714 HydrophobicContact CE1-CG 4.08Å; Y1643-E1714 HydrophobicContact CE2-CB 4.44Å; Y1643-E1714 HydrophobicContact CG-CB 4.11Å; P1657-E1714 HydrophobicContact CB-CB 4.38Å; P1657-E1714 WeakPolarHBondContact CB-O 3.43Å; P1657-E1714 HydrophobicContact CG-CB 4.11Å; S1658-E1714 WeakPolarHBondContact CB-OE2 3.44Å; S1658-E1714 PolarHBondContact N-OE2 2.97Å; S1658-E1714 PolarHBondContact OG-OE1 3.31Å; S1658-E1714 PolarHBondContact OG-OE2 3.43Å; P1711-E1714 HydrophobicContact CG-CB 4.48Å; P1711-E1714 HydrophobicContact CG-CG 4.07Å; P1711-E1714 PolarHBondContact O-N 3.45Å; P1711-E1714 VanDerWaalsContact O-N 3.17Å; E1714-A1717 PolarHBondContact O-N 2.95Å; E1714-L1718 WeakPolarHBondContact O-CB 3.49Å; E1714-L1718 PolarHBondContact O-N 3.37Å |
| 1715 | R | 91.8 | Very high | 86.8 | Confident | 32 Ų | 32 | 34.9 Ų | 34.9 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 169.5 | -71.5 | -173.5 | -68.7 | 114.9 | -9.9 | 111.8 | Y1643 L1696 E1700 G1710 P1711 A1717 L1718 H1719 | Y1643-R1715 HydrophobicContact CD1-CG 4.23Å; L1696-R1715 HydrophobicContact CD1-CB 4.04Å; E1700-R1715 IonicContact OE1-CZ 3.96Å; E1700-R1715 IonicContact OE1-NH1 3.11Å; E1700-R1715 PolarHBondContact OE1-NH1 3.26Å; E1700-R1715 IonicContact OE2-CZ 3.73Å; E1700-R1715 IonicContact OE2-NH1 3.21Å; E1700-R1715 PolarHBondContact OE2-NH1 2.82Å; G1710-R1715 WeakPolarHBondContact O-CD 3.35Å; G1710-R1715 PolarHBondContact O-NE 3.1Å; P1711-R1715 PolarHBondContact O-N 3.42Å; R1715-A1717 VanDerWaalsContact C-N 3.33Å; R1715-A1717 PolarHBondContact O-N 3.32Å; R1715-L1718 PolarHBondContact O-N 3.41Å; R1715-H1719 PolarHBondContact O-CD2 3.13Å; R1715-H1719 PolarHBondContact O-N 3.38Å |
| 1716 | L | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.8 | 179 | 55.7 | 0 | 0 | 0 | 112 | P1685 C1687 F1694 L1696 F1699 P1712 K1713 L1718 H1719 I1720 | P1685-L1716 HydrophobicContact CB-CD2 4.19Å; C1687-L1716 HydrophobicContact CB-CD2 3.68Å; C1687-L1716 HydrophobicContact CB-CG 4.13Å; F1694-L1716 HydrophobicContact CB-CD1 3.99Å; L1696-L1716 HydrophobicContact CB-CB 4.4Å; L1696-L1716 HydrophobicContact CB-CD1 4.44Å; L1696-L1716 HydrophobicContact CD1-CB 4.07Å; F1699-L1716 HydrophobicContact CD2-CD1 4.27Å; F1699-L1716 HydrophobicContact CE2-CD1 3.97Å; P1712-L1716 PolarHBondContact O-N 3.48Å; K1713-L1716 PolarHBondContact O-N 3.06Å; L1716-L1718 PolarHBondContact O-N 3.2Å; L1716-H1719 PolarHBondContact O-N 2.8Å; L1716-I1720 HydrophobicContact CD1-CD1 4.21Å; L1716-I1720 HydrophobicContact CD1-CG1 4.4Å; L1716-I1720 HydrophobicContact CG-CD1 4.17Å; L1716-I1720 VanDerWaalsContact O-CG1 3.29Å; L1716-I1720 WeakPolarHBondContact O-CG1 3.44Å; L1716-I1720 PolarHBondContact O-N 3.46Å; L1716-I1720 VanDerWaalsContact O-N 3.1Å |
| 1717 | A | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1657 L1661 Y1675 K1713 E1714 R1715 I1720 L1721 | P1657-A1717 HydrophobicContact CB-CB 3.86Å; L1661-A1717 HydrophobicContact CD2-CB 4.18Å; Y1675-A1717 WeakPolarHBondContact OH-CB 3.23Å; K1713-A1717 PolarHBondContact O-N 3.21Å; K1713-A1717 VanDerWaalsContact O-N 3.07Å; E1714-A1717 PolarHBondContact O-N 2.95Å; R1715-A1717 VanDerWaalsContact C-N 3.33Å; R1715-A1717 PolarHBondContact O-N 3.32Å; A1717-I1720 PolarHBondContact O-N 2.81Å; A1717-L1721 WeakPolarHBondContact O-CG 3.42Å; A1717-L1721 PolarHBondContact O-N 3.18Å |
| 1718 | L | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 176.2 | -175.8 | 61.7 | 0 | 0 | 0 | 112.4 | L1639 P1640 S1642 W1651 P1657 E1714 R1715 L1716 I1720 L1721 N1722 | L1639-L1718 HydrophobicContact CB-CD1 4.22Å; L1639-L1718 HydrophobicContact CD2-CD1 3.97Å; P1640-L1718 HydrophobicContact CG-CD2 4.21Å; P1640-L1718 WeakPolarHBondContact O-CD2 3.39Å; S1642-L1718 VanDerWaalsContact C-CD2 3.47Å; W1651-L1718 HydrophobicContact CH2-CD1 4Å; W1651-L1718 HydrophobicContact CZ3-CD1 3.78Å; W1651-L1718 HydrophobicContact CZ3-CD2 3.93Å; W1651-L1718 HydrophobicContact CZ3-CG 4.45Å; P1657-L1718 HydrophobicContact CB-CB 4Å; P1657-L1718 HydrophobicContact CG-CB 4.21Å; E1714-L1718 WeakPolarHBondContact O-CB 3.49Å; E1714-L1718 PolarHBondContact O-N 3.37Å; R1715-L1718 PolarHBondContact O-N 3.41Å; L1716-L1718 PolarHBondContact O-N 3.2Å; L1718-I1720 VanDerWaalsContact C-N 3.29Å; L1718-I1720 PolarHBondContact O-N 3.38Å; L1718-L1721 PolarHBondContact O-N 2.73Å; L1718-N1722 WeakPolarHBondContact O-CB 3.27Å; L1718-N1722 PolarHBondContact O-N 3.1Å; L1718-N1722 PolarHBondContact O-ND2 2.83Å |
| 1719 | H | 91.4 | Very high | 89.7 | Confident | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -38.9 | 174.9 | -77.4 | -50.9 | 0 | 0 | 0 | 112.4 | F1699 E1700 R1715 L1716 N1722 K1723 | F1699-H1719 HydrophobicContact CB-CB 4.15Å; F1699-H1719 HydrophobicContact CD1-CB 3.68Å; F1699-H1719 HydrophobicContact CD2-CB 3.85Å; F1699-H1719 HydrophobicContact CE1-CB 3.91Å; F1699-H1719 HydrophobicContact CE2-CB 4.08Å; F1699-H1719 HydrophobicContact CG-CB 3.63Å; F1699-H1719 AromaticContact CG-CG 3.73Å; F1699-H1719 HydrophobicContact CZ-CB 4.1Å; E1700-H1719 WeakPolarHBondContact CG-NE2 3.43Å; E1700-H1719 IonicContact OE1-CD2 3.57Å; E1700-H1719 IonicContact OE1-NE2 2.64Å; E1700-H1719 PolarHBondContact OE1-NE2 3.17Å; E1700-H1719 VanDerWaalsContact OE1-NE2 3.15Å; R1715-H1719 PolarHBondContact O-CD2 3.13Å; R1715-H1719 PolarHBondContact O-N 3.38Å; L1716-H1719 PolarHBondContact O-N 2.8Å; H1719-N1722 PolarHBondContact O-N 3.44Å; H1719-K1723 PolarHBondContact O-N 3.35Å |
| 1720 | I | 89.2 | Confident | 90.1 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.8 | -49.7 | 173.7 | -63.2 | 163.3 | 0 | 0 | 0 | 110.4 | L1661 C1687 V1689 F1694 L1716 A1717 L1718 N1722 K1723 | L1661-I1720 HydrophobicContact CD1-CB 4.43Å; L1661-I1720 HydrophobicContact CD1-CG2 3.76Å; L1661-I1720 HydrophobicContact CD2-CB 4.34Å; L1661-I1720 HydrophobicContact CD2-CD1 4.01Å; L1661-I1720 HydrophobicContact CD2-CG2 4.26Å; C1687-I1720 HydrophobicContact CB-CD1 3.91Å; V1689-I1720 HydrophobicContact CG2-CD1 4.47Å; V1689-I1720 HydrophobicContact CG2-CG2 4.47Å; F1694-I1720 HydrophobicContact CB-CD1 3.83Å; F1694-I1720 HydrophobicContact CB-CG1 3.89Å; F1694-I1720 HydrophobicContact CD1-CG1 4.08Å; F1694-I1720 HydrophobicContact CD2-CD1 3.71Å; F1694-I1720 HydrophobicContact CD2-CG1 3.77Å; F1694-I1720 HydrophobicContact CD2-CG2 4.39Å; F1694-I1720 HydrophobicContact CE2-CD1 4.45Å; F1694-I1720 HydrophobicContact CE2-CG1 4.27Å; F1694-I1720 HydrophobicContact CE2-CG2 4.11Å; F1694-I1720 HydrophobicContact CG-CD1 3.88Å; F1694-I1720 HydrophobicContact CG-CG1 3.65Å; F1694-I1720 HydrophobicContact CZ-CG2 4.33Å; L1716-I1720 HydrophobicContact CD1-CD1 4.21Å; L1716-I1720 HydrophobicContact CD1-CG1 4.4Å; L1716-I1720 HydrophobicContact CG-CD1 4.17Å; L1716-I1720 VanDerWaalsContact O-CG1 3.29Å; L1716-I1720 WeakPolarHBondContact O-CG1 3.44Å; L1716-I1720 PolarHBondContact O-N 3.46Å; L1716-I1720 VanDerWaalsContact O-N 3.1Å; A1717-I1720 PolarHBondContact O-N 2.81Å; L1718-I1720 VanDerWaalsContact C-N 3.29Å; L1718-I1720 PolarHBondContact O-N 3.38Å; I1720-N1722 PolarHBondContact O-N 2.73Å; I1720-K1723 WeakPolarHBondContact O-CB 3.47Å; I1720-K1723 PolarHBondContact O-N 3.28Å |
| 1721 | L | 91.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.5 | -36.4 | 176.7 | -72.6 | 167.9 | 0 | 0 | 0 | 112.4 | L1639 P1657 I1660 L1661 V1664 A1717 L1718 K1723 L1724 L1726 | L1639-L1721 HydrophobicContact CD1-CB 3.86Å; P1657-L1721 HydrophobicContact CB-CD1 4.44Å; P1657-L1721 WeakPolarHBondContact O-CD1 3.12Å; I1660-L1721 HydrophobicContact CB-CD1 3.88Å; I1660-L1721 HydrophobicContact CG2-CD1 3.74Å; I1660-L1721 HydrophobicContact CG2-CD2 3.86Å; I1660-L1721 HydrophobicContact CG2-CG 4.49Å; L1661-L1721 HydrophobicContact CB-CD1 4.38Å; L1661-L1721 HydrophobicContact CB-CD2 4.23Å; L1661-L1721 HydrophobicContact CB-CG 4.23Å; L1661-L1721 HydrophobicContact CD1-CD2 4Å; L1661-L1721 HydrophobicContact CD1-CG 4.2Å; V1664-L1721 HydrophobicContact CG2-CD2 4.06Å; A1717-L1721 WeakPolarHBondContact O-CG 3.42Å; A1717-L1721 PolarHBondContact O-N 3.18Å; L1718-L1721 PolarHBondContact O-N 2.73Å; L1721-K1723 PolarHBondContact O-N 3.17Å; L1721-L1724 HydrophobicContact CD2-CD1 4.36Å; L1721-L1724 WeakPolarHBondContact O-CB 3.26Å; L1721-L1724 PolarHBondContact O-N 2.8Å; L1721-L1724 VanDerWaalsContact O-N 3.08Å; L1721-L1726 HydrophobicContact CB-CD1 4.39Å; L1721-L1726 HydrophobicContact CD2-CD1 3.68Å |
| 1722 | N | 90.5 | Very high | 90.9 | Very high | 35 Ų | 35 | 23.5 Ų | 23.5 | 19% | 0.187 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.2 | -18.9 | 178 | -87.7 | -37 | 0 | 0 | 0 | 114 | P1640 Q1641 L1718 H1719 I1720 K1728 | P1640-N1722 PolarHBondContact O-ND2 2.91Å; Q1641-N1722 PolarHBondContact O-ND2 2.97Å; L1718-N1722 WeakPolarHBondContact O-CB 3.27Å; L1718-N1722 PolarHBondContact O-N 3.1Å; L1718-N1722 PolarHBondContact O-ND2 2.83Å; H1719-N1722 PolarHBondContact O-N 3.44Å; I1720-N1722 PolarHBondContact O-N 2.73Å; N1722-K1728 PolarHBondContact O-NZ 2.67Å |
| 1723 | K | 85 | Confident | 91.3 | Very high | 121 Ų | 121 | 21.2 Ų | 21.2 | 53% | 0.526 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -81.4 | -16.5 | 169.8 | -64.5 | -60.6 | -176.3 | -177 | 0 | 113.9 | V1390 F1699 H1719 I1720 L1721 | V1390-K1723 HydrophobicContact CG1-CB 4.26Å; V1390-K1723 WeakPolarHBondContact CG1-O 3.49Å; F1699-K1723 HydrophobicContact CE1-CG 4.11Å; H1719-K1723 PolarHBondContact O-N 3.35Å; I1720-K1723 WeakPolarHBondContact O-CB 3.47Å; I1720-K1723 PolarHBondContact O-N 3.28Å; L1721-K1723 PolarHBondContact O-N 3.17Å |
| 1724 | L | 84.5 | Confident | 91.6 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 7% | 0.068 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 157.4 | 175.2 | -56 | -177.3 | 0 | 0 | 0 | 110.8 | L1391 V1664 L1721 L1726 K1728 | L1391-L1724 HydrophobicContact CD1-CD2 3.98Å; L1391-L1724 HydrophobicContact CD2-CD2 3.91Å; L1391-L1724 HydrophobicContact CG-CD2 3.79Å; V1664-L1724 HydrophobicContact CG1-CD1 3.76Å; L1721-L1724 HydrophobicContact CD2-CD1 4.36Å; L1721-L1724 WeakPolarHBondContact O-CB 3.26Å; L1721-L1724 PolarHBondContact O-N 2.8Å; L1721-L1724 VanDerWaalsContact O-N 3.08Å; L1724-L1726 HydrophobicContact CB-CD1 4.16Å; L1724-L1726 HydrophobicContact CB-CG 3.95Å; L1724-L1726 HydrophobicContact CD1-CD1 4.31Å; L1724-L1726 PolarHBondContact O-N 2.94Å; L1724-K1728 PolarHBondContact O-NZ 2.79Å |
| 1725 | P | 82.9 | Confident | 91.6 | Very high | 45 Ų | 45 | 19.7 Ų | 19.7 | 29% | 0.292 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 38.6 | 178.1 | 32.8 | -37.6 | 0 | 0 | 0 | 113.1 | I1388 Y1633 | I1388-P1725 HydrophobicContact CD1-CG 4.01Å; I1388-P1725 HydrophobicContact CG1-CG 4.39Å; I1388-P1725 HydrophobicContact CG2-CG 4.03Å; Y1633-P1725 VanDerWaalsContact CD1-O 3.24Å; Y1633-P1725 WeakPolarHBondContact CD1-O 3.41Å; Y1633-P1725 HydrophobicContact CE1-CB 4.47Å |
| 1726 | L | 90 | Very high | 91.7 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 147.4 | 176.5 | -59.3 | 175.7 | 0 | 0 | 0 | 110.7 | K1632 Y1633 R1634 L1639 V1664 L1721 L1724 K1728 | K1632-L1726 WeakPolarHBondContact O-CD2 3.24Å; Y1633-L1726 CarbonylContact O-C 3.49Å; Y1633-L1726 WeakPolarHBondContact O-CA 3.47Å; R1634-L1726 HydrophobicContact CB-CD2 4.05Å; L1639-L1726 HydrophobicContact CD1-CB 3.83Å; L1639-L1726 HydrophobicContact CD1-CD1 3.85Å; V1664-L1726 HydrophobicContact CG2-CD1 4.27Å; L1721-L1726 HydrophobicContact CB-CD1 4.39Å; L1721-L1726 HydrophobicContact CD2-CD1 3.68Å; L1724-L1726 HydrophobicContact CB-CD1 4.16Å; L1724-L1726 HydrophobicContact CB-CG 3.95Å; L1724-L1726 HydrophobicContact CD1-CD1 4.31Å; L1724-L1726 PolarHBondContact O-N 2.94Å; L1726-K1728 WeakPolarHBondContact O-CD 3.21Å; L1726-K1728 WeakPolarHBondContact O-CE 3.07Å; L1726-K1728 PolarHBondContact O-N 2.76Å; L1726-K1728 PolarHBondContact O-NZ 2.99Å; L1726-K1728 VanDerWaalsContact O-NZ 3.17Å |
| 1727 | V | 92.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -55.3 | 122.8 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | L1468 F1474 F1477 Y1633 A1635 L1639 H1730 | L1468-V1727 HydrophobicContact CD1-CG1 4.37Å; L1468-V1727 HydrophobicContact CD2-CG1 4.12Å; L1468-V1727 HydrophobicContact CD2-CG2 4.42Å; F1474-V1727 HydrophobicContact CD2-CG2 4.38Å; F1474-V1727 HydrophobicContact CE1-CG2 4.15Å; F1474-V1727 HydrophobicContact CE2-CG2 3.84Å; F1474-V1727 HydrophobicContact CZ-CB 4.46Å; F1474-V1727 HydrophobicContact CZ-CG2 3.72Å; F1477-V1727 HydrophobicContact CE1-CG2 4.11Å; F1477-V1727 HydrophobicContact CZ-CG2 4.09Å; Y1633-V1727 PolarHBondContact O-N 2.8Å; A1635-V1727 HydrophobicContact CB-CG2 3.93Å; L1639-V1727 PolarHBondContact N-O 2.95Å; L1639-V1727 VanDerWaalsContact N-O 3.07Å; V1727-H1730 WeakPolarHBondContact CG1-ND1 2.93Å |
| 1728 | K | 92.9 | Very high | 90.6 | Very high | 45 Ų | 45 | 22.9 Ų | 22.9 | 20% | 0.196 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -81.2 | 167.5 | 176.6 | -46.4 | -55.4 | 166.1 | -170.7 | 0 | 110 | G1638 L1639 N1722 L1724 L1726 H1730 | G1638-K1728 WeakPolarHBondContact CA-O 3.25Å; L1639-K1728 CarbonylContact O-C 3.54Å; N1722-K1728 PolarHBondContact O-NZ 2.67Å; L1724-K1728 PolarHBondContact O-NZ 2.79Å; L1726-K1728 WeakPolarHBondContact O-CD 3.21Å; L1726-K1728 WeakPolarHBondContact O-CE 3.07Å; L1726-K1728 PolarHBondContact O-N 2.76Å; L1726-K1728 PolarHBondContact O-NZ 2.99Å; L1726-K1728 VanDerWaalsContact O-NZ 3.17Å; K1728-H1730 PolarHBondContact O-N 3.22Å; K1728-H1730 PolarHBondContact O-ND1 3.39Å |
| 1729 | E | 94.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -61.3 | 124.1 | 169.1 | -171.2 | 178.2 | -145.3 | 0 | 0 | 109.6 | K1439 I1461 C1462 L1639 R1652 F1767 | K1439-E1729 WeakPolarHBondContact CE-OE2 3.37Å; K1439-E1729 IonicContact NZ-OE1 3Å; K1439-E1729 PolarHBondContact NZ-OE1 2.95Å; K1439-E1729 IonicContact NZ-OE2 3.36Å; K1439-E1729 PolarHBondContact NZ-OE2 3.12Å; I1461-E1729 HydrophobicContact CG2-CB 4.28Å; I1461-E1729 HydrophobicContact CG2-CG 3.68Å; C1462-E1729 PolarHBondContact N-O 2.81Å; L1639-E1729 PolarHBondContact O-N 2.86Å; R1652-E1729 IonicContact CZ-OE1 3.54Å; R1652-E1729 IonicContact NH1-OE1 3.52Å; R1652-E1729 PolarHBondContact NH1-OE1 2.87Å; E1729-F1767 WeakPolarHBondContact OE1-CE2 3.4Å; E1729-F1767 WeakPolarHBondContact OE1-CZ 3.24Å |
| 1730 | H | 95.1 | Very high | 88.4 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 169.4 | -163.5 | 67.6 | -90 | 0 | 0 | 0 | 113.9 | C1462 Y1464 V1727 K1728 | C1462-H1730 HydrophobicContact CB-CB 4.17Å; C1462-H1730 CarbonylContact O-C 3.56Å; C1462-H1730 WeakPolarHBondContact O-CA 3.13Å; C1462-H1730 WeakPolarHBondContact O-CB 3.36Å; Y1464-H1730 HydrophobicContact CD2-CB 3.93Å; Y1464-H1730 HydrophobicContact CE2-CB 3.6Å; V1727-H1730 WeakPolarHBondContact CG1-ND1 2.93Å; K1728-H1730 PolarHBondContact O-N 3.22Å; K1728-H1730 PolarHBondContact O-ND1 3.39Å |
| 1731 | V | 96.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.4 | 159.2 | 172.6 | 0 | 0 | 0 | 0 | 106.6 | W1436 F1440 I1461 C1462 V1463 Y1464 I1544 Q1750 W1752 | W1436-V1731 HydrophobicContact CZ2-CG2 4.34Å; F1440-V1731 HydrophobicContact CD2-CG2 4.3Å; F1440-V1731 HydrophobicContact CE2-CG1 4.48Å; F1440-V1731 HydrophobicContact CE2-CG2 4.29Å; I1461-V1731 HydrophobicContact CD1-CG2 3.74Å; C1462-V1731 PolarHBondContact O-N 2.8Å; V1463-V1731 HydrophobicContact CG1-CB 4.33Å; V1463-V1731 HydrophobicContact CG1-CG1 4.48Å; V1463-V1731 HydrophobicContact CG2-CB 4.33Å; Y1464-V1731 PolarHBondContact N-O 3.41Å; I1544-V1731 HydrophobicContact CD1-CB 4.07Å; I1544-V1731 HydrophobicContact CD1-CG1 3.33Å; I1544-V1731 HydrophobicContact CD1-CG2 3.53Å; V1731-Q1750 HydrophobicContact CG1-CB 4.08Å; V1731-W1752 HydrophobicContact CG2-CE3 4.12Å; V1731-W1752 HydrophobicContact CG2-CZ3 4.43Å |
| 1732 | E | 95.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 154 | 171.7 | 59.3 | 176.1 | 143.8 | 0 | 0 | 110.6 | L1468 R1628 R1734 Q1750 M1751 | L1468-E1732 HydrophobicContact CB-CB 4.29Å; L1468-E1732 PolarHBondContact N-OE2 2.54Å; R1628-E1732 IonicContact CZ-OE1 2.83Å; R1628-E1732 VanDerWaalsContact CZ-OE1 3.27Å; R1628-E1732 IonicContact CZ-OE2 3.93Å; R1628-E1732 IonicContact NH1-OE1 3.78Å; R1628-E1732 PolarHBondContact NH1-OE1 2.91Å; R1628-E1732 IonicContact NH1-OE2 3.79Å; R1628-E1732 IonicContact NH2-OE1 2.75Å; R1628-E1732 PolarHBondContact NH2-OE1 2.96Å; R1628-E1732 IonicContact NH2-OE2 2.72Å; R1628-E1732 PolarHBondContact NH2-OE2 3.25Å; E1732-R1734 HydrophobicContact CG-CG 4.42Å; E1732-R1734 IonicContact OE2-NH1 2.6Å; E1732-R1734 PolarHBondContact OE2-NH1 3.4Å; E1732-Q1750 WeakPolarHBondContact O-CA 3.49Å; E1732-M1751 HydrophobicContact CG-CG 4.34Å; E1732-M1751 VanDerWaalsContact CG-O 3.26Å; E1732-M1751 WeakPolarHBondContact CG-O 3.36Å; E1732-M1751 PolarHBondContact N-O 2.84Å; E1732-M1751 PolarHBondContact O-N 2.79Å |
| 1733 | T | 95.7 | Very high | 84.7 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 109 | 177.3 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | Y1464 H1466 K1748 L1749 Q1750 | Y1464-T1733 WeakPolarHBondContact O-CB 3.43Å; Y1464-T1733 PolarHBondContact O-N 2.79Å; Y1464-T1733 PolarHBondContact O-OG1 2.85Å; H1466-T1733 CarbonylContact C-O 3.49Å; H1466-T1733 VanDerWaalsContact CA-O 3.23Å; H1466-T1733 WeakPolarHBondContact CA-O 3.42Å; H1466-T1733 PolarHBondContact O-N 2.71Å; T1733-K1748 HydrophobicContact CG2-CB 4.02Å; T1733-K1748 HydrophobicContact CG2-CD 4.38Å; T1733-L1749 WeakPolarHBondContact CA-O 3.18Å; T1733-Q1750 HydrophobicContact CG2-CG 4.13Å; T1733-Q1750 PolarHBondContact OG1-NE2 2.74Å; T1733-Q1750 VanDerWaalsContact OG1-NE2 3.1Å |
| 1734 | R | 94.7 | Very high | 83.5 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 145.1 | -178.4 | -57.4 | -169 | 73.3 | 82.7 | -1.4 | 111.1 | E1469 T1621 D1622 E1732 K1748 L1749 | E1469-R1734 VanDerWaalsContact CD-NH1 3.33Å; E1469-R1734 IonicContact OE1-CZ 3.69Å; E1469-R1734 IonicContact OE1-NH1 3.21Å; E1469-R1734 PolarHBondContact OE1-NH1 3.2Å; E1469-R1734 IonicContact OE1-NH2 2.72Å; E1469-R1734 PolarHBondContact OE1-NH2 2.8Å; E1469-R1734 IonicContact OE2-NH1 3.23Å; E1469-R1734 PolarHBondContact OE2-NH1 2.7Å; T1621-R1734 HydrophobicContact CG2-CB 3.95Å; T1621-R1734 PolarHBondContact OG1-NE 2.86Å; D1622-R1734 PolarHBondContact O-NH2 2.65Å; E1732-R1734 HydrophobicContact CG-CG 4.42Å; E1732-R1734 IonicContact OE2-NH1 2.6Å; E1732-R1734 PolarHBondContact OE2-NH1 3.4Å; R1734-K1748 CarbonylContact O-C 3.49Å; R1734-K1748 WeakPolarHBondContact O-CA 3.48Å; R1734-L1749 PolarHBondContact N-O 2.7Å; R1734-L1749 PolarHBondContact O-N 3.36Å |
| 1735 | L | 93 | Very high | 83.4 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 28% | 0.277 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 142.4 | 170.2 | -53 | -175.5 | 0 | 0 | 0 | 109.6 | T1621 Y1737 E1745 K1748 | T1621-L1735 WeakPolarHBondContact CB-O 3.42Å; T1621-L1735 PolarHBondContact OG1-O 2.66Å; L1735-Y1737 HydrophobicContact CB-CE2 3.82Å; L1735-Y1737 WeakPolarHBondContact CD1-OH 3.44Å; L1735-E1745 HydrophobicContact CD2-CG 4.4Å; L1735-K1748 HydrophobicContact CD2-CD 4.09Å; L1735-K1748 HydrophobicContact CD2-CG 3.85Å |
| 1736 | L | 92.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.8 | 175.4 | -61.9 | 170.4 | 0 | 0 | 0 | 110 | L1549 V1606 Q1620 T1621 E1745 Q1746 G1747 L1749 | L1549-L1736 HydrophobicContact CD2-CD1 3.62Å; V1606-L1736 HydrophobicContact CB-CD1 4.3Å; V1606-L1736 HydrophobicContact CG2-CD1 3.73Å; V1606-L1736 HydrophobicContact CG2-CD2 4.3Å; Q1620-L1736 WeakPolarHBondContact O-CA 3.43Å; T1621-L1736 HydrophobicContact CG2-CD2 4.03Å; L1736-E1745 CarbonylContact O-C 3.59Å; L1736-E1745 WeakPolarHBondContact O-CA 3.39Å; L1736-Q1746 HydrophobicContact CB-CB 4.35Å; L1736-Q1746 PolarHBondContact O-N 2.82Å; L1736-G1747 WeakPolarHBondContact CB-O 3.33Å; L1736-G1747 PolarHBondContact N-O 2.81Å; L1736-L1749 HydrophobicContact CD1-CB 4.36Å; L1736-L1749 HydrophobicContact CD2-CB 4.2Å; L1736-L1749 HydrophobicContact CD2-CD2 4.37Å; L1736-L1749 HydrophobicContact CG-CB 4.33Å |
| 1737 | Y | 85.2 | Confident | 83.3 | Confident | 87 Ų | 87 | 40.7 Ų | 40.7 | 34% | 0.341 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.2 | 177.2 | -64 | -84.8 | 0 | 0 | 0 | 110.3 | G1619 Q1620 L1735 P1742 I1744 | G1619-Y1737 CarbonylContact C-O 3.55Å; G1619-Y1737 WeakPolarHBondContact CA-O 2.99Å; Q1620-Y1737 WeakPolarHBondContact CG-O 3.33Å; Q1620-Y1737 PolarHBondContact N-O 3.05Å; Q1620-Y1737 PolarHBondContact O-N 3.04Å; L1735-Y1737 HydrophobicContact CB-CE2 3.82Å; L1735-Y1737 WeakPolarHBondContact CD1-OH 3.44Å; Y1737-P1742 WeakPolarHBondContact CD1-O 3.45Å; Y1737-I1744 VanDerWaalsContact CD1-O 3.22Å; Y1737-I1744 WeakPolarHBondContact CD1-O 3.35Å |
| 1738 | S | 77.4 | Confident | 83.3 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 140.5 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | L1740 Q1741 | S1738-L1740 PolarHBondContact O-N 3.27Å; S1738-L1740 VanDerWaalsContact O-N 3.16Å; S1738-L1740 PolarHBondContact OG-N 2.86Å; S1738-Q1741 CarbonylContact O-C 3.52Å; S1738-Q1741 WeakPolarHBondContact O-CA 3.2Å; S1738-Q1741 PolarHBondContact O-N 3.32Å |
| 1739 | P | 68 | Low | 83.5 | Confident | 76 Ų | 76 | 42.3 Ų | 42.3 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.2 | 174.6 | -25.8 | 35.2 | 0 | 0 | 0 | 114 | Q1741 | P1739-Q1741 VanDerWaalsContact C-N 3.27Š|
| 1740 | L | 69.3 | Low | 83.7 | Confident | 162 Ų | 162 | 42.4 Ų | 42.4 | 85% | 0.848 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.2 | 175.1 | -59.6 | 175.3 | 0 | 0 | 0 | 112.4 | S1738 | S1738-L1740 PolarHBondContact O-N 3.27Å; S1738-L1740 VanDerWaalsContact O-N 3.16Å; S1738-L1740 PolarHBondContact OG-N 2.86Å |
| 1741 | Q | 66.5 | Low | 83.7 | Confident | 21 Ų | 21 | 42 Ų | 42 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 59.7 | -170.9 | -68.4 | -161.2 | -26.4 | 0 | 0 | 112.2 | S1738 P1739 N1743 I1744 | S1738-Q1741 CarbonylContact O-C 3.52Å; S1738-Q1741 WeakPolarHBondContact O-CA 3.2Å; S1738-Q1741 PolarHBondContact O-N 3.32Å; P1739-Q1741 VanDerWaalsContact C-N 3.27Å; Q1741-N1743 PolarHBondContact O-N 2.95Å; Q1741-I1744 HydrophobicContact CB-CB 4.17Å; Q1741-I1744 HydrophobicContact CB-CD1 3.8Å; Q1741-I1744 HydrophobicContact CB-CG1 4.41Å; Q1741-I1744 HydrophobicContact CG-CD1 4Å; Q1741-I1744 PolarHBondContact O-N 2.87Å; Q1741-I1744 VanDerWaalsContact O-N 3.1Å |
| 1742 | P | 62.8 | Low | 83.7 | Confident | 86 Ų | 86 | 42.3 Ų | 42.3 | 56% | 0.558 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | -14.7 | -167.5 | 25.3 | -36.2 | 0 | 0 | 0 | 115.5 | Y1737 | Y1737-P1742 WeakPolarHBondContact CD1-O 3.45Å |
| 1743 | N | 64 | Low | 83.7 | Confident | 154 Ų | 154 | 42.4 Ų | 42.4 | 82% | 0.824 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 10.2 | -179.3 | -63.6 | -29.5 | 0 | 0 | 0 | 113.2 | Q1741 | Q1741-N1743 PolarHBondContact O-N 2.95Å |
| 1744 | I | 60.9 | Low | 83.7 | Confident | 28 Ų | 28 | 42 Ų | 42 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122.8 | -168.5 | -57.4 | 160.6 | 0 | 0 | 0 | 109.9 | F251 Y1737 Q1741 | F251-I1744 HydrophobicContact CB-CG2 4.27Å; F251-I1744 HydrophobicContact CD1-CD1 4.33Å; F251-I1744 HydrophobicContact CD1-CG2 4.1Å; F251-I1744 HydrophobicContact CD2-CB 4.48Å; F251-I1744 HydrophobicContact CD2-CD1 4.25Å; F251-I1744 HydrophobicContact CD2-CG1 4.04Å; F251-I1744 HydrophobicContact CD2-CG2 3.6Å; F251-I1744 HydrophobicContact CE1-CD1 3.6Å; F251-I1744 HydrophobicContact CE1-CG1 4.42Å; F251-I1744 HydrophobicContact CE1-CG2 4.45Å; F251-I1744 HydrophobicContact CE2-CB 4.47Å; F251-I1744 HydrophobicContact CE2-CD1 3.54Å; F251-I1744 HydrophobicContact CE2-CG1 3.58Å; F251-I1744 HydrophobicContact CE2-CG2 4.03Å; F251-I1744 HydrophobicContact CG-CG2 3.7Å; F251-I1744 HydrophobicContact CZ-CD1 3.18Å; F251-I1744 HydrophobicContact CZ-CG1 3.81Å; F251-I1744 HydrophobicContact CZ-CG2 4.45Å; Y1737-I1744 VanDerWaalsContact CD1-O 3.22Å; Y1737-I1744 WeakPolarHBondContact CD1-O 3.35Å; Q1741-I1744 HydrophobicContact CB-CB 4.17Å; Q1741-I1744 HydrophobicContact CB-CD1 3.8Å; Q1741-I1744 HydrophobicContact CB-CG1 4.41Å; Q1741-I1744 HydrophobicContact CG-CD1 4Å; Q1741-I1744 PolarHBondContact O-N 2.87Å; Q1741-I1744 VanDerWaalsContact O-N 3.1Å |
| 1745 | E | 81.6 | Confident | 83.7 | Confident | 80 Ų | 80 | 41.5 Ų | 41.5 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 132.6 | 176.5 | -175.2 | -177 | 164.7 | 0 | 0 | 110.9 | L1735 L1736 K1748 | L1735-E1745 HydrophobicContact CD2-CG 4.4Å; L1736-E1745 CarbonylContact O-C 3.59Å; L1736-E1745 WeakPolarHBondContact O-CA 3.39Å; E1745-K1748 WeakPolarHBondContact OE1-CE 3.22Å; E1745-K1748 WeakPolarHBondContact OE1-CG 3.39Å; E1745-K1748 IonicContact OE1-NZ 3.73Å |
| 1746 | Q | 82.7 | Confident | 83.8 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 24.6 | -178.3 | -53 | -66.9 | -103.6 | 0 | 0 | 112.1 | Q1550 I1618 L1736 | Q1550-Q1746 HydrophobicContact CB-CB 4.23Å; Q1550-Q1746 VanDerWaalsContact CD-OE1 3.25Å; Q1550-Q1746 PolarHBondContact N-O 2.81Å; Q1550-Q1746 VanDerWaalsContact N-O 3.09Å; Q1550-Q1746 VanDerWaalsContact OE1-CD 3.29Å; I1618-Q1746 WeakPolarHBondContact O-CB 3.34Å; I1618-Q1746 VanDerWaalsContact O-CG 3.28Å; I1618-Q1746 WeakPolarHBondContact O-CG 3.29Å; L1736-Q1746 HydrophobicContact CB-CB 4.35Å; L1736-Q1746 PolarHBondContact O-N 2.82Å |
| 1747 | G | 88.1 | Confident | 83.8 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.2 | -177.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1548 L1736 | D1548-G1747 WeakPolarHBondContact O-CA 3.25Å; L1736-G1747 WeakPolarHBondContact CB-O 3.33Å; L1736-G1747 PolarHBondContact N-O 2.81Å |
| 1748 | K | 93.8 | Very high | 84 | Confident | 79 Ų | 79 | 37.8 Ų | 37.8 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.5 | -172.5 | -54.2 | -178.3 | -175.4 | 170.5 | 0 | 111.4 | A1546 I1547 T1733 R1734 L1735 E1745 | A1546-K1748 CarbonylContact C-O 3.36Å; A1546-K1748 WeakPolarHBondContact CA-O 3.36Å; A1546-K1748 WeakPolarHBondContact CB-O 3.48Å; I1547-K1748 HydrophobicContact CB-CB 4.44Å; I1547-K1748 PolarHBondContact N-O 3.45Å; I1547-K1748 PolarHBondContact O-N 3.08Å; T1733-K1748 HydrophobicContact CG2-CB 4.02Å; T1733-K1748 HydrophobicContact CG2-CD 4.38Å; R1734-K1748 CarbonylContact O-C 3.49Å; R1734-K1748 WeakPolarHBondContact O-CA 3.48Å; L1735-K1748 HydrophobicContact CD2-CD 4.09Å; L1735-K1748 HydrophobicContact CD2-CG 3.85Å; E1745-K1748 WeakPolarHBondContact OE1-CE 3.22Å; E1745-K1748 WeakPolarHBondContact OE1-CG 3.39Å; E1745-K1748 IonicContact OE1-NZ 3.73Å |
| 1749 | L | 96.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.9 | 179.4 | -167 | 65.1 | 0 | 0 | 0 | 110.8 | I1543 A1546 F1586 V1604 V1606 T1733 R1734 L1736 M1751 | I1543-L1749 HydrophobicContact CD1-CD2 4.3Å; I1543-L1749 HydrophobicContact CG2-CD1 3.74Å; I1543-L1749 HydrophobicContact CG2-CD2 4.45Å; I1543-L1749 HydrophobicContact CG2-CG 4.28Å; A1546-L1749 HydrophobicContact CB-CD1 3.91Å; F1586-L1749 HydrophobicContact CD2-CD1 4.49Å; F1586-L1749 HydrophobicContact CE2-CD1 4.12Å; V1604-L1749 HydrophobicContact CB-CD2 4.42Å; V1604-L1749 HydrophobicContact CG1-CD2 3.47Å; V1604-L1749 VanDerWaalsContact CG1-CD2 3.47Å; V1606-L1749 HydrophobicContact CG2-CD1 4.2Å; V1606-L1749 HydrophobicContact CG2-CD2 4.39Å; T1733-L1749 WeakPolarHBondContact CA-O 3.18Å; R1734-L1749 PolarHBondContact N-O 2.7Å; R1734-L1749 PolarHBondContact O-N 3.36Å; L1736-L1749 HydrophobicContact CD1-CB 4.36Å; L1736-L1749 HydrophobicContact CD2-CB 4.2Å; L1736-L1749 HydrophobicContact CD2-CD2 4.37Å; L1736-L1749 HydrophobicContact CG-CB 4.33Å; L1749-M1751 HydrophobicContact CD2-SD 3.97Å; L1749-M1751 HydrophobicContact CG-SD 4.48Å |
| 1750 | Q | 97.2 | Very high | 85.4 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 118.6 | 172.5 | -61.5 | -156.9 | -62.9 | 0 | 0 | 109.9 | I1544 R1545 I1547 V1731 E1732 T1733 | I1544-Q1750 HydrophobicContact CB-CB 4.44Å; I1544-Q1750 WeakPolarHBondContact CB-O 3.45Å; I1544-Q1750 HydrophobicContact CD1-CB 4.27Å; I1544-Q1750 PolarHBondContact N-O 3.38Å; R1545-Q1750 HydrophobicContact CG-CB 4.26Å; R1545-Q1750 HydrophobicContact CG-CG 4.5Å; R1545-Q1750 PolarHBondContact O-N 2.92Å; I1547-Q1750 HydrophobicContact CD1-CG 3.93Å; V1731-Q1750 HydrophobicContact CG1-CB 4.08Å; E1732-Q1750 WeakPolarHBondContact O-CA 3.49Å; T1733-Q1750 HydrophobicContact CG2-CG 4.13Å; T1733-Q1750 PolarHBondContact OG1-NE2 2.74Å; T1733-Q1750 VanDerWaalsContact OG1-NE2 3.1Å |
| 1751 | M | 97 | Very high | 86 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 175.7 | -172.6 | 59.3 | 172.4 | -70.3 | 0 | 0 | 111.9 | V1541 Y1542 I1543 V1604 I1623 E1732 L1749 V1753 | V1541-M1751 HydrophobicContact CG1-CE 3.78Å; Y1542-M1751 CarbonylContact O-C 3.46Å; Y1542-M1751 WeakPolarHBondContact O-CA 3.02Å; Y1542-M1751 WeakPolarHBondContact O-CB 3.27Å; I1543-M1751 HydrophobicContact CD1-CB 3.78Å; I1543-M1751 HydrophobicContact CD1-CE 4.09Å; I1543-M1751 HydrophobicContact CD1-SD 4.05Å; V1604-M1751 HydrophobicContact CG1-SD 4.48Å; V1604-M1751 HydrophobicContact CG2-CE 4.07Å; V1604-M1751 HydrophobicContact CG2-SD 4.27Å; I1623-M1751 HydrophobicContact CD1-CE 3.59Å; I1623-M1751 HydrophobicContact CD1-SD 4.29Å; E1732-M1751 HydrophobicContact CG-CG 4.34Å; E1732-M1751 VanDerWaalsContact CG-O 3.26Å; E1732-M1751 WeakPolarHBondContact CG-O 3.36Å; E1732-M1751 PolarHBondContact N-O 2.84Å; E1732-M1751 PolarHBondContact O-N 2.79Å; L1749-M1751 HydrophobicContact CD2-SD 3.97Å; L1749-M1751 HydrophobicContact CG-SD 4.48Å; M1751-V1753 HydrophobicContact CE-CG2 3.6Å |
| 1752 | W | 95.9 | Very high | 86.8 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 170.3 | 156.5 | 75.4 | 96.6 | 0 | 0 | 0 | 110.4 | W1436 Y1542 I1544 V1731 F1767 I1769 | W1436-W1752 AromaticContact CE2-CH2 3.8Å; W1436-W1752 HydrophobicContact CH2-CH2 4.35Å; W1436-W1752 AromaticContact CH2-CZ3 3.93Å; W1436-W1752 HydrophobicContact CH2-CZ3 3.93Å; W1436-W1752 HydrophobicContact CZ2-CE3 4.48Å; W1436-W1752 AromaticContact CZ2-CH2 3.57Å; W1436-W1752 HydrophobicContact CZ2-CH2 3.57Å; W1436-W1752 AromaticContact CZ2-CZ3 3.41Å; W1436-W1752 HydrophobicContact CZ2-CZ3 3.41Å; W1436-W1752 VanDerWaalsContact CZ2-CZ3 3.41Å; W1436-W1752 AromaticContact NE1-CH2 3.91Å; Y1542-W1752 AromaticContact CD1-CH2 3.67Å; Y1542-W1752 HydrophobicContact CD1-CH2 3.67Å; Y1542-W1752 AromaticContact CD1-CZ2 3.35Å; Y1542-W1752 HydrophobicContact CD1-CZ2 3.35Å; Y1542-W1752 AromaticContact CD2-CD1 3.95Å; Y1542-W1752 HydrophobicContact CD2-CD2 4.07Å; Y1542-W1752 AromaticContact CD2-CE2 3.31Å; Y1542-W1752 HydrophobicContact CD2-CG 4.42Å; Y1542-W1752 HydrophobicContact CD2-CH2 4.38Å; Y1542-W1752 AromaticContact CD2-CZ2 3.5Å; Y1542-W1752 HydrophobicContact CD2-CZ2 3.5Å; Y1542-W1752 VanDerWaalsContact CD2-CZ2 3.5Å; Y1542-W1752 AromaticContact CD2-NE1 3.22Å; Y1542-W1752 HydrophobicContact CE1-CH2 4.38Å; Y1542-W1752 AromaticContact CE1-CZ2 3.76Å; Y1542-W1752 HydrophobicContact CE1-CZ2 3.76Å; Y1542-W1752 AromaticContact CE2-CE2 3.84Å; Y1542-W1752 AromaticContact CE2-CZ2 3.88Å; Y1542-W1752 HydrophobicContact CE2-CZ2 3.88Å; Y1542-W1752 AromaticContact CE2-NE1 3.48Å; Y1542-W1752 HydrophobicContact CG-CD2 4.06Å; Y1542-W1752 AromaticContact CG-CE2 3.41Å; Y1542-W1752 VanDerWaalsContact CG-CE2 3.41Å; Y1542-W1752 HydrophobicContact CG-CE3 4.4Å; Y1542-W1752 AromaticContact CG-CH2 3.65Å; Y1542-W1752 HydrophobicContact CG-CH2 3.65Å; Y1542-W1752 AromaticContact CG-CZ2 3.18Å; Y1542-W1752 HydrophobicContact CG-CZ2 3.18Å; Y1542-W1752 HydrophobicContact CG-CZ3 4.23Å; Y1542-W1752 AromaticContact CG-NE1 3.86Å; Y1542-W1752 AromaticContact CZ-CZ2 3.99Å; Y1542-W1752 PolarHBondContact N-O 3.46Å; Y1542-W1752 PolarHBondContact O-N 2.96Å; I1544-W1752 HydrophobicContact CD1-CE3 3.96Å; I1544-W1752 HydrophobicContact CD1-CZ3 3.8Å; I1544-W1752 HydrophobicContact CG1-CE3 4.22Å; I1544-W1752 HydrophobicContact CG1-CZ3 3.74Å; V1731-W1752 HydrophobicContact CG2-CE3 4.12Å; V1731-W1752 HydrophobicContact CG2-CZ3 4.43Å; W1752-F1767 HydrophobicContact CH2-CD2 4.41Å; W1752-F1767 AromaticContact CZ2-CD2 3.95Å; W1752-F1767 HydrophobicContact CZ2-CD2 3.95Å; W1752-I1769 HydrophobicContact CH2-CD1 4.47Å; W1752-I1769 HydrophobicContact CH2-CG2 3.94Å |
| 1753 | V | 95.7 | Very high | 87.9 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 122.7 | -178.2 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | L1539 V1541 L1602 I1623 L1625 M1751 I1755 | L1539-V1753 HydrophobicContact CD1-CG1 3.41Å; L1539-V1753 VanDerWaalsContact CD1-CG1 3.41Å; L1539-V1753 HydrophobicContact CG-CG1 4.22Å; V1541-V1753 HydrophobicContact CG1-CG2 4.34Å; V1541-V1753 HydrophobicContact CG2-CG1 4.44Å; L1602-V1753 HydrophobicContact CD2-CG1 4.15Å; L1602-V1753 HydrophobicContact CD2-CG2 3.66Å; I1623-V1753 HydrophobicContact CD1-CG2 3.87Å; L1625-V1753 HydrophobicContact CD2-CG1 4.01Å; M1751-V1753 HydrophobicContact CE-CG2 3.6Å; V1753-I1755 HydrophobicContact CG1-CG1 4.11Å |
| 1754 | D | 95.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.1 | 166.4 | -65.7 | -36.1 | 0 | 0 | 0 | 109.6 | R1540 Y1542 T1636 R1652 F1756 | R1540-D1754 HydrophobicContact CB-CB 4.38Å; R1540-D1754 PolarHBondContact N-O 3.37Å; R1540-D1754 PolarHBondContact O-N 3.15Å; Y1542-D1754 HydrophobicContact CE2-CB 4.47Å; Y1542-D1754 WeakPolarHBondContact CE2-OD2 3.34Å; T1636-D1754 CarbonylContact O-C 3.51Å; T1636-D1754 VanDerWaalsContact O-CA 3.25Å; T1636-D1754 WeakPolarHBondContact O-CA 3.46Å; R1652-D1754 IonicContact CZ-OD2 2.73Å; R1652-D1754 IonicContact NE-OD2 2.69Å; R1652-D1754 PolarHBondContact NE-OD2 3.05Å; R1652-D1754 IonicContact NH2-OD1 2.72Å; R1652-D1754 PolarHBondContact NH2-OD1 3.36Å; R1652-D1754 IonicContact NH2-OD2 2.81Å; R1652-D1754 PolarHBondContact NH2-OD2 3.24Å; D1754-F1756 HydrophobicContact CB-CD2 4.38Å; D1754-F1756 HydrophobicContact CB-CE2 3.42Å; D1754-F1756 VanDerWaalsContact CB-CE2 3.42Å; D1754-F1756 HydrophobicContact CB-CZ 3.53Å |
| 1755 | I | 95.3 | Very high | 90.2 | 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 | -124.7 | 116.6 | -176.8 | -51.6 | 172.5 | 0 | 0 | 0 | 109.5 | C1537 L1539 L1596 L1625 R1628 T1636 V1753 | C1537-I1755 HydrophobicContact CB-CG2 4.08Å; L1539-I1755 HydrophobicContact CD1-CG1 3.98Å; L1596-I1755 HydrophobicContact CD1-CG2 4.25Å; L1625-I1755 HydrophobicContact CB-CD1 4.38Å; L1625-I1755 HydrophobicContact CD2-CD1 4.01Å; L1625-I1755 HydrophobicContact CD2-CG1 4.47Å; R1628-I1755 HydrophobicContact CB-CD1 3.9Å; T1636-I1755 HydrophobicContact CG2-CB 4.29Å; T1636-I1755 PolarHBondContact O-N 3.33Å; V1753-I1755 HydrophobicContact CG1-CG1 4.11Å |
| 1756 | F | 94.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 110.8 | -177.2 | -53.6 | -78 | 0 | 0 | 0 | 112 | C1537 M1538 R1540 C1637 D1754 T1758 P1763 | C1537-F1756 CarbonylContact C-O 3.16Å; C1537-F1756 WeakPolarHBondContact CA-O 3.18Å; M1538-F1756 HydrophobicContact CB-CB 4.39Å; M1538-F1756 PolarHBondContact N-O 2.77Å; M1538-F1756 PolarHBondContact O-N 3.44Å; R1540-F1756 HydrophobicContact CG-CE2 4.34Å; C1637-F1756 HydrophobicContact CB-CE1 3.92Å; C1637-F1756 HydrophobicContact CB-CZ 4.35Å; D1754-F1756 HydrophobicContact CB-CD2 4.38Å; D1754-F1756 HydrophobicContact CB-CE2 3.42Å; D1754-F1756 VanDerWaalsContact CB-CE2 3.42Å; D1754-F1756 HydrophobicContact CB-CZ 3.53Å; F1756-T1758 PolarHBondContact O-N 3.2Å; F1756-P1763 HydrophobicContact CB-CB 4.18Å; F1756-P1763 HydrophobicContact CB-CG 4.3Å; F1756-P1763 HydrophobicContact CD1-CB 3.73Å; F1756-P1763 HydrophobicContact CD2-CB 3.69Å; F1756-P1763 HydrophobicContact CD2-CG 3.89Å; F1756-P1763 HydrophobicContact CE1-CB 3.96Å; F1756-P1763 HydrophobicContact CE2-CB 3.9Å; F1756-P1763 HydrophobicContact CE2-CG 4.35Å; F1756-P1763 HydrophobicContact CG-CB 3.59Å; F1756-P1763 HydrophobicContact CG-CG 4.04Å; F1756-P1763 HydrophobicContact CZ-CB 4.02Å |
| 1757 | P | 92.1 | Very high | 90.8 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 126.2 | 170.3 | -29.2 | 37.5 | 0 | 0 | 0 | 112.4 | E1535 S1759 L1760 | E1535-P1757 HydrophobicContact CG-CB 4.24Å; E1535-P1757 WeakPolarHBondContact OE2-CG 3.48Å; P1757-S1759 WeakPolarHBondContact CB-OG 3.49Å; P1757-S1759 PolarHBondContact O-N 3.28Å; P1757-L1760 HydrophobicContact CB-CD1 4.08Å; P1757-L1760 HydrophobicContact CB-CG 4.14Å; P1757-L1760 HydrophobicContact CG-CD1 4.09Å; P1757-L1760 PolarHBondContact O-N 2.73Å |
| 1758 | T | 90.1 | Very high | 90.6 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -64.9 | -23.5 | -178.7 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | E1536 F1756 L1760 G1761 | E1536-T1758 HydrophobicContact CB-CG2 4.48Å; E1536-T1758 HydrophobicContact CG-CG2 4Å; E1536-T1758 WeakPolarHBondContact O-CG2 3.4Å; E1536-T1758 PolarHBondContact O-N 3.35Å; E1536-T1758 PolarHBondContact O-OG1 2.93Å; F1756-T1758 PolarHBondContact O-N 3.2Å; T1758-L1760 PolarHBondContact O-N 2.87Å; T1758-G1761 PolarHBondContact O-N 3.24Å |
| 1759 | S | 86.8 | Confident | 90.3 | Very high | 83 Ų | 83 | 37 Ų | 37 | 58% | 0.58 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -58.8 | -21.6 | 172.5 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | E1535 P1757 | E1535-S1759 PolarHBondContact OE1-OG 3.08Å; P1757-S1759 WeakPolarHBondContact CB-OG 3.49Å; P1757-S1759 PolarHBondContact O-N 3.28Å |
| 1760 | L | 86.2 | Confident | 89.8 | Confident | 75 Ų | 75 | 40.2 Ų | 40.2 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -94.4 | 2.6 | -179.3 | -61.6 | 176.7 | 0 | 0 | 0 | 113.9 | K1655 P1757 T1758 | K1655-L1760 HydrophobicContact CD-CD1 4.48Å; K1655-L1760 VanDerWaalsContact CE-CD2 3.49Å; P1757-L1760 HydrophobicContact CB-CD1 4.08Å; P1757-L1760 HydrophobicContact CB-CG 4.14Å; P1757-L1760 HydrophobicContact CG-CD1 4.09Å; P1757-L1760 PolarHBondContact O-N 2.73Å; T1758-L1760 PolarHBondContact O-N 2.87Å |
| 1761 | G | 83.1 | Confident | 89 | Confident | 40 Ų | 40 | 42 Ų | 42 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | trans | 88.6 | -178.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1758 | T1758-G1761 PolarHBondContact O-N 3.24Š| ||
| 1762 | E | 83 | Confident | 88.1 | Confident | 186 Ų | 186 | 43.8 Ų | 43.8 | 87% | 0.869 | 26% | 0.262 | S | S | * | . | trans | -69.3 | 133.4 | -176.4 | -63.4 | -170.7 | 161.3 | 0 | 0 | 111.4 | ||||
| 1763 | P | 86.5 | Confident | 87.2 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 14% | 0.143 | 30% | 0.299 | C | S | . | . | trans | -67.2 | 157.5 | 173.6 | 28.5 | -34.2 | 0 | 0 | 0 | 111.4 | S1654 F1756 | S1654-P1763 WeakPolarHBondContact OG-CA 3.41Å; F1756-P1763 HydrophobicContact CB-CB 4.18Å; F1756-P1763 HydrophobicContact CB-CG 4.3Å; F1756-P1763 HydrophobicContact CD1-CB 3.73Å; F1756-P1763 HydrophobicContact CD2-CB 3.69Å; F1756-P1763 HydrophobicContact CD2-CG 3.89Å; F1756-P1763 HydrophobicContact CE1-CB 3.96Å; F1756-P1763 HydrophobicContact CE2-CB 3.9Å; F1756-P1763 HydrophobicContact CE2-CG 4.35Å; F1756-P1763 HydrophobicContact CG-CB 3.59Å; F1756-P1763 HydrophobicContact CG-CG 4.04Å; F1756-P1763 HydrophobicContact CZ-CB 4.02Å | ||
| 1764 | G | 84.6 | Confident | 86.3 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | trans | -59.4 | 176 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1540 R1652 | R1540-G1764 VanDerWaalsContact CZ-O 3.29Å; R1540-G1764 PolarHBondContact NH1-O 2.98Å; R1540-G1764 PolarHBondContact NH2-O 3.37Å; R1652-G1764 WeakPolarHBondContact O-CA 3.49Å; R1652-G1764 PolarHBondContact O-N 3.25Å | ||
| 1765 | P | 87.1 | Confident | 85.6 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 138.4 | -177.8 | 24.4 | -33 | 0 | 0 | 0 | 111.1 | Q1650 | Q1650-P1765 HydrophobicContact CG-CG 4.15Š|
| 1766 | P | 88.7 | Confident | 85 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -68 | 158.2 | 172 | 31.5 | -34.2 | 0 | 0 | 0 | 110 | Y1542 M1589 | Y1542-P1766 HydrophobicContact CE1-CB 4.49Å; Y1542-P1766 WeakPolarHBondContact OH-CA 3.26Å; M1589-P1766 HydrophobicContact CE-CB 3.93Å; M1589-P1766 HydrophobicContact CE-CG 4.08Å |
| 1767 | F | 88.1 | Confident | 84.7 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 135.7 | 166.2 | -74.4 | -43.8 | 0 | 0 | 0 | 110.8 | W1436 Y1542 P1648 E1729 W1752 I1769 | W1436-F1767 AromaticContact CD1-CD2 3.5Å; W1436-F1767 VanDerWaalsContact CD1-CD2 3.5Å; W1436-F1767 AromaticContact CD1-CE2 3.87Å; W1436-F1767 AromaticContact CD1-CG 3.58Å; W1436-F1767 AromaticContact NE1-CD2 3.51Å; W1436-F1767 AromaticContact NE1-CE2 3.8Å; Y1542-F1767 HydrophobicContact CE1-CB 4.11Å; Y1542-F1767 PolarHBondContact OH-N 3.41Å; P1648-F1767 WeakPolarHBondContact O-CE1 3.49Å; E1729-F1767 WeakPolarHBondContact OE1-CE2 3.4Å; E1729-F1767 WeakPolarHBondContact OE1-CZ 3.24Å; W1752-F1767 HydrophobicContact CH2-CD2 4.41Å; W1752-F1767 AromaticContact CZ2-CD2 3.95Å; W1752-F1767 HydrophobicContact CZ2-CD2 3.95Å; F1767-I1769 HydrophobicContact CB-CG2 3.96Å; F1767-I1769 PolarHBondContact O-N 2.86Å |
| 1768 | D | 84.6 | Confident | 84.5 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 65% | 0.647 | 35% | 0.35 | S | S | * | . | trans | -78.5 | 111.8 | 159.6 | -170.2 | 0.2 | 0 | 0 | 0 | 108.5 | W1436 S1770 | W1436-D1768 WeakPolarHBondContact CB-O 3.29Å; D1768-S1770 WeakPolarHBondContact OD1-CB 3.49Å; D1768-S1770 PolarHBondContact OD1-N 3.48Å; D1768-S1770 PolarHBondContact OD1-OG 2.5Å | ||
| 1769 | I | 88.6 | Confident | 84.6 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | trans | -112.8 | 16 | 176.6 | 62.8 | 164.9 | 0 | 0 | 0 | 112.2 | W1436 W1437 Y1542 G1587 W1752 F1767 | W1436-I1769 HydrophobicContact CB-CG2 4.21Å; W1436-I1769 HydrophobicContact CD2-CB 4.33Å; W1436-I1769 HydrophobicContact CD2-CG2 3.39Å; W1436-I1769 HydrophobicContact CE3-CB 4.04Å; W1436-I1769 HydrophobicContact CE3-CG2 3.59Å; W1436-I1769 HydrophobicContact CG-CG2 3.67Å; W1436-I1769 HydrophobicContact CZ2-CG2 4.4Å; W1436-I1769 HydrophobicContact CZ3-CB 4.48Å; W1436-I1769 HydrophobicContact CZ3-CG2 4.18Å; W1437-I1769 PolarHBondContact NE1-O 3.49Å; W1437-I1769 VanDerWaalsContact NE1-O 3.09Å; Y1542-I1769 HydrophobicContact CD1-CD1 3.97Å; Y1542-I1769 HydrophobicContact CD1-CG1 4.37Å; G1587-I1769 VanDerWaalsContact CA-O 3.22Å; G1587-I1769 WeakPolarHBondContact CA-O 3.47Å; W1752-I1769 HydrophobicContact CH2-CD1 4.47Å; W1752-I1769 HydrophobicContact CH2-CG2 3.94Å; F1767-I1769 HydrophobicContact CB-CG2 3.96Å; F1767-I1769 PolarHBondContact O-N 2.86Å | ||
| 1770 | S | 85.6 | Confident | 84.8 | Confident | 68 Ų | 68 | 56 Ų | 56 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 137.2 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | W1437 D1768 | W1437-S1770 PolarHBondContact NE1-O 3.15Å; D1768-S1770 WeakPolarHBondContact OD1-CB 3.49Å; D1768-S1770 PolarHBondContact OD1-N 3.48Å; D1768-S1770 PolarHBondContact OD1-OG 2.5Å |
| 1771 | P | 80.2 | Confident | 85.1 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -60 | 151.3 | 176.8 | -24.4 | 35.8 | 0 | 0 | 0 | 112.2 | E1773 | P1771-E1773 PolarHBondContact O-N 3.01Š|
| 1772 | R | 79.1 | Confident | 85.6 | Confident | 36 Ų | 36 | 50.9 Ų | 50.9 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 128.2 | -178.5 | -68.6 | 172.1 | 170.8 | 169.4 | -4.7 | 111.5 | D1435 S1438 K1449 L1843 | D1435-R1772 IonicContact OD1-CZ 3.69Å; D1435-R1772 IonicContact OD1-NE 3.88Å; D1435-R1772 IonicContact OD1-NH2 2.67Å; D1435-R1772 PolarHBondContact OD1-NH2 2.86Å; D1435-R1772 WeakPolarHBondContact OD2-CG 3.46Å; D1435-R1772 IonicContact OD2-CZ 2.83Å; D1435-R1772 IonicContact OD2-NE 2.83Å; D1435-R1772 PolarHBondContact OD2-NE 3.12Å; D1435-R1772 IonicContact OD2-NH2 3.23Å; D1435-R1772 PolarHBondContact OD2-NH2 3.3Å; S1438-R1772 PolarHBondContact OG-NH2 3.38Å; K1449-R1772 PolarHBondContact O-NH1 3.14Å; K1449-R1772 PolarHBondContact O-NH2 2.74Å; R1772-L1843 HydrophobicContact CB-CD1 4.05Å; R1772-L1843 HydrophobicContact CB-CD2 3.98Å; R1772-L1843 HydrophobicContact CB-CG 4.32Å; R1772-L1843 WeakPolarHBondContact O-CD1 3.26Å |
| 1773 | E | 75.5 | Confident | 86.1 | Confident | 173 Ų | 173 | 42 Ų | 42 | 81% | 0.808 | 23% | 0.232 | S | C | * | . | P | Polyproline II helix | trans | -84.9 | 138.9 | 174 | -64 | -169.1 | 164 | 0 | 0 | 112.1 | P1771 | P1771-E1773 PolarHBondContact O-N 3.01Š|
| 1774 | P | 78.1 | Confident | 86.3 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 141.9 | 178.2 | 35.2 | -36.1 | 0 | 0 | 0 | 112.4 | F1841 L1843 V1850 | P1774-F1841 HydrophobicContact CB-CB 4.04Å; P1774-F1841 HydrophobicContact CG-CB 4.12Å; P1774-F1841 HydrophobicContact CG-CD1 4.46Å; P1774-L1843 HydrophobicContact CB-CB 4.14Å; P1774-L1843 HydrophobicContact CB-CD1 4.34Å; P1774-L1843 HydrophobicContact CB-CG 4.4Å; P1774-V1850 HydrophobicContact CB-CB 3.99Å; P1774-V1850 HydrophobicContact CB-CG2 3.66Å; P1774-V1850 HydrophobicContact CG-CB 3.93Å; P1774-V1850 HydrophobicContact CG-CG1 4.17Å; P1774-V1850 HydrophobicContact CG-CG2 3.92Å |
| 1775 | N | 80.3 | Confident | 86.6 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 142.3 | 180 | -72.2 | -13.2 | 0 | 0 | 0 | 111.6 | Y1777 F1841 Y1842 | N1775-Y1777 HydrophobicContact CB-CD2 4.2Å; N1775-Y1777 HydrophobicContact CB-CE2 3.72Å; N1775-Y1777 WeakPolarHBondContact O-CD2 3.33Å; N1775-Y1777 PolarHBondContact O-N 2.84Å; N1775-F1841 CarbonylContact O-C 3.52Å; N1775-F1841 WeakPolarHBondContact O-CA 3.43Å; N1775-Y1842 PolarHBondContact N-O 3.02Å; N1775-Y1842 PolarHBondContact O-N 3.33Å |
| 1776 | E | 83.1 | Confident | 86.8 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 121.8 | 171.2 | -75.3 | -174.8 | -121.2 | 0 | 0 | 112.1 | F1841 K1959 | E1776-F1841 HydrophobicContact CG-CD1 3.44Å; E1776-F1841 VanDerWaalsContact CG-CD1 3.44Å; E1776-F1841 HydrophobicContact CG-CE1 3.19Å; E1776-F1841 HydrophobicContact CG-CG 4.2Å; E1776-F1841 HydrophobicContact CG-CZ 3.78Å; E1776-K1959 HydrophobicContact CB-CB 3.81Å; E1776-K1959 HydrophobicContact CB-CD 4.21Å; E1776-K1959 HydrophobicContact CB-CG 4.46Å; E1776-K1959 PolarHBondContact O-N 2.99Å; E1776-K1959 IonicContact OE1-NZ 2.66Å; E1776-K1959 PolarHBondContact OE1-NZ 2.97Å; E1776-K1959 VanDerWaalsContact OE2-CD 3.25Å; E1776-K1959 WeakPolarHBondContact OE2-CD 3.16Å; E1776-K1959 WeakPolarHBondContact OE2-CE 3.27Å; E1776-K1959 IonicContact OE2-NZ 3.72Å; E1776-K1959 PolarHBondContact OE2-NZ 2.84Å |
| 1777 | Y | 86.9 | Confident | 86.9 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 156.1 | 172 | -74.2 | -90.7 | 0 | 0 | 0 | 110.9 | N1775 P1839 F1840 Y1842 P1844 L1956 V1957 T1958 | N1775-Y1777 HydrophobicContact CB-CD2 4.2Å; N1775-Y1777 HydrophobicContact CB-CE2 3.72Å; N1775-Y1777 WeakPolarHBondContact O-CD2 3.33Å; N1775-Y1777 PolarHBondContact O-N 2.84Å; Y1777-P1839 WeakPolarHBondContact O-CA 3.49Å; Y1777-F1840 PolarHBondContact N-O 3.26Å; Y1777-F1840 PolarHBondContact O-N 2.6Å; Y1777-F1840 VanDerWaalsContact O-O 3.05Å; Y1777-Y1842 HydrophobicContact CD2-CD1 4.23Å; Y1777-Y1842 AromaticContact CE2-CD1 3.94Å; Y1777-Y1842 HydrophobicContact CE2-CD1 3.94Å; Y1777-P1844 HydrophobicContact CE2-CG 4.49Å; Y1777-L1956 HydrophobicContact CD1-CD1 4.3Å; Y1777-L1956 HydrophobicContact CD1-CD2 3.81Å; Y1777-L1956 HydrophobicContact CD1-CG 3.87Å; Y1777-L1956 HydrophobicContact CE1-CD2 4.13Å; Y1777-V1957 CarbonylContact C-O 3.05Å; Y1777-V1957 WeakPolarHBondContact CA-O 3.28Å; Y1777-T1958 HydrophobicContact CD1-CG2 4.17Å; Y1777-T1958 HydrophobicContact CE1-CG2 3.73Å |
| 1778 | I | 89.1 | Confident | 86.8 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 116.5 | 171.6 | -51.4 | -169.3 | 0 | 0 | 0 | 108.2 | R1780 V1837 F1838 P1839 V1957 A1962 | I1778-R1780 HydrophobicContact CG2-CG 4.43Å; I1778-V1837 HydrophobicContact CG2-CG1 3.4Å; I1778-V1837 VanDerWaalsContact CG2-CG1 3.4Å; I1778-F1838 WeakPolarHBondContact CA-O 3.33Å; I1778-P1839 HydrophobicContact CG1-CB 4.24Å; I1778-V1957 HydrophobicContact CB-CG2 3.99Å; I1778-V1957 PolarHBondContact N-O 2.99Å; I1778-V1957 WeakPolarHBondContact O-CG2 3.14Å; I1778-V1957 PolarHBondContact O-N 3.41Å; I1778-V1957 VanDerWaalsContact O-N 3.12Å; I1778-A1962 HydrophobicContact CD1-CB 3.65Å; I1778-A1962 HydrophobicContact CG1-CB 4.27Å |
| 1779 | L | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 119.8 | 169.6 | 175.9 | 63.8 | 0 | 0 | 0 | 108.8 | L1810 V1837 F1838 F1840 L1871 L1894 L1924 M1954 L1956 | L1779-L1810 HydrophobicContact CD2-CD2 3.99Å; L1779-V1837 WeakPolarHBondContact O-CA 3.33Å; L1779-F1838 HydrophobicContact CB-CB 4.4Å; L1779-F1838 HydrophobicContact CD2-CD2 4.21Å; L1779-F1838 HydrophobicContact CG-CD2 4.42Å; L1779-F1838 PolarHBondContact N-O 3.07Å; L1779-F1838 PolarHBondContact O-N 2.8Å; L1779-F1840 HydrophobicContact CB-CE1 3.89Å; L1779-L1871 HydrophobicContact CD2-CD1 4.03Å; L1779-L1871 HydrophobicContact CD2-CD2 4.26Å; L1779-L1894 HydrophobicContact CD2-CD1 4.02Å; L1779-L1894 HydrophobicContact CD2-CD2 4.29Å; L1779-L1924 HydrophobicContact CD1-CD2 3.64Å; L1779-M1954 HydrophobicContact CD1-CB 4.22Å; L1779-M1954 HydrophobicContact CD1-CG 4.25Å; L1779-L1956 HydrophobicContact CB-CD1 4.16Å; L1779-L1956 HydrophobicContact CD1-CD1 4.44Å |
| 1780 | R | 91.9 | Very high | 86.6 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 4% | 0.038 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.6 | 172.8 | -61.3 | 172.2 | 179.6 | -163 | -8 | 107.7 | I1778 F1836 M1954 E1955 A1962 R1965 | I1778-R1780 HydrophobicContact CG2-CG 4.43Å; R1780-F1836 WeakPolarHBondContact CA-O 3.41Å; R1780-M1954 CarbonylContact O-C 3.56Å; R1780-M1954 WeakPolarHBondContact O-CA 3.44Å; R1780-E1955 HydrophobicContact CB-CB 4.37Å; R1780-E1955 PolarHBondContact N-O 2.87Å; R1780-E1955 PolarHBondContact O-N 3.17Å; R1780-A1962 VanDerWaalsContact NH2-CA 3.33Å; R1780-R1965 PolarHBondContact NH1-O 3.4Å; R1780-R1965 PolarHBondContact NH2-O 2.97Å |
| 1781 | L | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.7 | 176.9 | -178.3 | 73.7 | 0 | 0 | 0 | 109 | V1783 R1835 F1836 L1873 M1952 E1953 M1954 | L1781-V1783 HydrophobicContact CD2-CG2 4.17Å; L1781-V1783 HydrophobicContact CG-CG2 4.39Å; L1781-R1835 CarbonylContact O-C 3.43Å; L1781-R1835 WeakPolarHBondContact O-CA 3.22Å; L1781-F1836 HydrophobicContact CB-CB 4.3Å; L1781-F1836 HydrophobicContact CD2-CD2 3.88Å; L1781-F1836 HydrophobicContact CD2-CE2 4.44Å; L1781-F1836 PolarHBondContact N-O 2.85Å; L1781-F1836 PolarHBondContact O-N 2.94Å; L1781-L1873 HydrophobicContact CD2-CD1 4.02Å; L1781-L1873 HydrophobicContact CD2-CD2 3.53Å; L1781-L1873 HydrophobicContact CD2-CG 4.37Å; L1781-M1952 HydrophobicContact CD1-CB 3.99Å; L1781-M1952 HydrophobicContact CD1-CG 4.05Å; L1781-M1952 HydrophobicContact CD1-SD 3.73Å; L1781-M1952 HydrophobicContact CD2-SD 4.41Å; L1781-E1953 CarbonylContact C-O 3.58Å; L1781-E1953 WeakPolarHBondContact CA-O 3.37Å; L1781-M1954 HydrophobicContact CD1-CB 4.46Å; L1781-M1954 HydrophobicContact CD1-CG 3.29Å; L1781-M1954 HydrophobicContact CD1-SD 4.29Å |
| 1782 | V | 92.3 | Very high | 85.4 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 112.1 | 167.9 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | W1784 W1834 R1835 M1952 E1953 P1978 L1980 | V1782-W1784 HydrophobicContact CG1-CD2 3.84Å; V1782-W1784 HydrophobicContact CG1-CE3 4.41Å; V1782-W1784 HydrophobicContact CG1-CG 4.16Å; V1782-W1784 HydrophobicContact CG1-CH2 4.43Å; V1782-W1784 HydrophobicContact CG1-CZ2 3.86Å; V1782-W1784 PolarHBondContact O-N 3.13Å; V1782-W1834 CarbonylContact C-O 3.57Å; V1782-W1834 WeakPolarHBondContact CA-O 3.38Å; V1782-R1835 HydrophobicContact CG2-CG 4.18Å; V1782-M1952 CarbonylContact O-C 3.55Å; V1782-M1952 WeakPolarHBondContact O-CA 3.32Å; V1782-M1952 WeakPolarHBondContact O-CB 3.37Å; V1782-E1953 HydrophobicContact CB-CB 4.4Å; V1782-E1953 PolarHBondContact N-O 2.79Å; V1782-E1953 PolarHBondContact O-N 2.83Å; V1782-P1978 HydrophobicContact CG2-CG 4.25Å; V1782-L1980 HydrophobicContact CG1-CD1 4.34Å; V1782-L1980 HydrophobicContact CG1-CD2 3.75Å |
| 1783 | V | 93.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 107.3 | 166 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | L1781 V1806 T1819 F1832 N1833 W1834 F1836 I1950 | L1781-V1783 HydrophobicContact CD2-CG2 4.17Å; L1781-V1783 HydrophobicContact CG-CG2 4.39Å; V1783-V1806 HydrophobicContact CG1-CG2 4.46Å; V1783-T1819 HydrophobicContact CB-CG2 4.26Å; V1783-T1819 HydrophobicContact CG1-CG2 4.29Å; V1783-T1819 HydrophobicContact CG2-CG2 4.46Å; V1783-F1832 HydrophobicContact CG1-CB 4.37Å; V1783-F1832 HydrophobicContact CG1-CD2 3.87Å; V1783-F1832 HydrophobicContact CG1-CG 4.36Å; V1783-N1833 PolarHBondContact O-N 2.72Å; V1783-W1834 PolarHBondContact N-O 3.26Å; V1783-W1834 PolarHBondContact O-N 3.43Å; V1783-F1836 HydrophobicContact CG2-CE2 4.2Å; V1783-F1836 HydrophobicContact CG2-CZ 4.48Å; V1783-I1950 HydrophobicContact CG1-CD1 3.97Å; V1783-I1950 HydrophobicContact CG1-CG1 4.25Å; V1783-I1950 HydrophobicContact CG2-CD1 4.14Å |
| 1784 | W | 91.2 | Very high | 84.3 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 26% | 0.258 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -66.1 | 178.5 | -71.8 | 102.9 | 0 | 0 | 0 | 109.3 | V1782 F1832 N1833 E1951 P1978 L1980 | V1782-W1784 HydrophobicContact CG1-CD2 3.84Å; V1782-W1784 HydrophobicContact CG1-CE3 4.41Å; V1782-W1784 HydrophobicContact CG1-CG 4.16Å; V1782-W1784 HydrophobicContact CG1-CH2 4.43Å; V1782-W1784 HydrophobicContact CG1-CZ2 3.86Å; V1782-W1784 PolarHBondContact O-N 3.13Å; W1784-F1832 PolarHBondContact O-N 3.29Å; W1784-N1833 PolarHBondContact O-N 2.78Å; W1784-N1833 VanDerWaalsContact O-N 3.16Å; W1784-E1951 HydrophobicContact CB-CB 4.44Å; W1784-E1951 HydrophobicContact CB-CG 4.16Å; W1784-E1951 PolarHBondContact N-O 2.83Å; W1784-P1978 HydrophobicContact CZ2-CG 4.4Å; W1784-L1980 HydrophobicContact CH2-CD2 3.63Å; W1784-L1980 HydrophobicContact CZ2-CD2 4.19Å; W1784-L1980 HydrophobicContact CZ3-CD2 3.96Å |
| 1785 | N | 91.7 | Very high | 83.4 | Confident | 28 Ų | 28 | 39.7 Ų | 39.7 | 15% | 0.15 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 164.6 | -176.2 | -52.4 | -66.1 | 0 | 0 | 0 | 111.6 | F1787 G1830 N1831 E1951 | N1785-F1787 HydrophobicContact CB-CD2 4.25Å; N1785-F1787 HydrophobicContact CB-CE2 3.56Å; N1785-F1787 HydrophobicContact CB-CZ 3.85Å; N1785-G1830 CarbonylContact C-O 3.46Å; N1785-G1830 VanDerWaalsContact C-O 3.31Å; N1785-G1830 WeakPolarHBondContact CA-O 3.49Å; N1785-G1830 WeakPolarHBondContact CB-O 3.42Å; N1785-N1831 WeakPolarHBondContact OD1-CA 3.45Å; N1785-N1831 PolarHBondContact OD1-OD1 3.33Å; N1785-E1951 HydrophobicContact CB-CB 4.37Å; N1785-E1951 PolarHBondContact N-O 3.13Å; N1785-E1951 PolarHBondContact ND2-OE2 3.43Å; N1785-E1951 PolarHBondContact O-N 2.86Å |
| 1786 | T | 91.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 155.2 | 159.4 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | V1806 E1829 G1830 F1832 F1936 K1949 I1950 | T1786-V1806 HydrophobicContact CG2-CG2 3.82Å; T1786-E1829 CarbonylContact O-C 3.49Å; T1786-E1829 VanDerWaalsContact O-CA 3.26Å; T1786-E1829 WeakPolarHBondContact O-CA 3.37Å; T1786-G1830 PolarHBondContact N-O 2.95Å; T1786-G1830 PolarHBondContact O-N 3.09Å; T1786-G1830 WeakPolarHBondContact OG1-CA 3.05Å; T1786-G1830 PolarHBondContact OG1-N 2.9Å; T1786-F1832 HydrophobicContact CG2-CE2 3.97Å; T1786-F1936 HydrophobicContact CG2-CE2 4.18Å; T1786-K1949 CarbonylContact C-O 3.56Å; T1786-K1949 WeakPolarHBondContact CA-O 3.42Å; T1786-I1950 HydrophobicContact CG2-CB 4.39Å; T1786-I1950 HydrophobicContact CG2-CG1 4.23Å |
| 1787 | F | 89.8 | Confident | 81.1 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 154 | -175.8 | -67.4 | -79.8 | 0 | 0 | 0 | 110.9 | N1785 V1789 G1828 E1829 R1904 F1933 K1949 E1951 | N1785-F1787 HydrophobicContact CB-CD2 4.25Å; N1785-F1787 HydrophobicContact CB-CE2 3.56Å; N1785-F1787 HydrophobicContact CB-CZ 3.85Å; F1787-V1789 PolarHBondContact O-N 2.84Å; F1787-V1789 VanDerWaalsContact O-N 3.15Å; F1787-G1828 CarbonylContact C-O 3.56Å; F1787-G1828 VanDerWaalsContact C-O 3.25Å; F1787-G1828 VanDerWaalsContact CA-O 3.27Å; F1787-G1828 WeakPolarHBondContact CA-O 3.36Å; F1787-E1829 HydrophobicContact CD1-CB 4.37Å; F1787-E1829 HydrophobicContact CD1-CG 3.72Å; F1787-E1829 WeakPolarHBondContact CD1-OE1 3.27Å; F1787-E1829 HydrophobicContact CE1-CG 4.22Å; F1787-R1904 HydrophobicContact CB-CG 4.29Å; F1787-F1933 HydrophobicContact CD2-CD1 4.3Å; F1787-F1933 AromaticContact CD2-CE1 3.66Å; F1787-F1933 HydrophobicContact CD2-CE1 3.66Å; F1787-F1933 AromaticContact CE2-CE1 3.67Å; F1787-F1933 HydrophobicContact CE2-CE1 3.67Å; F1787-F1933 HydrophobicContact CE2-CZ 4.37Å; F1787-K1949 PolarHBondContact N-O 3.17Å; F1787-K1949 PolarHBondContact O-N 3.02Å; F1787-E1951 HydrophobicContact CD2-CB 4.46Å; F1787-E1951 HydrophobicContact CE2-CB 4.11Å |
| 1788 | D | 86.7 | Confident | 79.8 | Confident | 63 Ų | 63 | 43.1 Ų | 43.1 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 55.1 | 27.1 | 179.5 | -55.6 | -48.2 | 0 | 0 | 0 | 112.8 | G1828 R1904 K1949 | D1788-G1828 PolarHBondContact N-O 3.48Å; D1788-G1828 VanDerWaalsContact N-O 3.13Å; D1788-R1904 IonicContact OD1-CZ 2.76Å; D1788-R1904 IonicContact OD1-NE 3.04Å; D1788-R1904 PolarHBondContact OD1-NE 2.57Å; D1788-R1904 IonicContact OD1-NH2 3.31Å; D1788-R1904 PolarHBondContact OD1-NH2 3.37Å; D1788-R1904 IonicContact OD2-CZ 3.25Å; D1788-R1904 IonicContact OD2-NE 2.81Å; D1788-R1904 PolarHBondContact OD2-NE 3.3Å; D1788-R1904 IonicContact OD2-NH2 2.71Å; D1788-K1949 HydrophobicContact CB-CD 4.32Å; D1788-K1949 WeakPolarHBondContact OD2-CD 3.38Å; D1788-K1949 VanDerWaalsContact OD2-CE 3.27Å; D1788-K1949 WeakPolarHBondContact OD2-CE 3.42Å; D1788-K1949 IonicContact OD2-NZ 3.34Å; D1788-K1949 PolarHBondContact OD2-NZ 3.43Å |
| 1789 | V | 86.2 | Confident | 78.7 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | trans | -70.2 | 138 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | F1787 I1804 G1828 V1875 I1887 T1947 | F1787-V1789 PolarHBondContact O-N 2.84Å; F1787-V1789 VanDerWaalsContact O-N 3.15Å; V1789-I1804 HydrophobicContact CB-CD1 3.79Å; V1789-I1804 HydrophobicContact CG1-CD1 3.95Å; V1789-I1804 HydrophobicContact CG1-CG1 4.14Å; V1789-I1804 HydrophobicContact CG1-CG2 4.27Å; V1789-I1804 HydrophobicContact CG2-CD1 4.1Å; V1789-I1804 HydrophobicContact CG2-CG2 4.47Å; V1789-G1828 WeakPolarHBondContact CB-O 3.26Å; V1789-G1828 WeakPolarHBondContact CG2-O 3.44Å; V1789-G1828 PolarHBondContact N-O 3.48Å; V1789-G1828 VanDerWaalsContact O-CA 3.26Å; V1789-G1828 WeakPolarHBondContact O-CA 3.43Å; V1789-V1875 HydrophobicContact CG1-CG2 4.15Å; V1789-I1887 HydrophobicContact CG1-CD1 3.83Å; V1789-I1887 HydrophobicContact CG1-CG2 3.92Å; V1789-T1947 WeakPolarHBondContact CA-O 3.46Å | ||
| 1790 | V | 82.3 | Confident | 77.8 | Confident | 57 Ų | 57 | 51 Ų | 51 | 35% | 0.345 | 27% | 0.267 | S | S | . | . | trans | -58.7 | 146.3 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | D1792 S1802 I1887 T1947 | V1790-D1792 WeakPolarHBondContact CG1-OD1 3.4Å; V1790-S1802 PolarHBondContact O-OG 3.41Å; V1790-I1887 HydrophobicContact CB-CG2 4.31Å; V1790-T1947 HydrophobicContact CG2-CG2 4.29Å; V1790-T1947 PolarHBondContact N-O 2.99Å; V1790-T1947 VanDerWaalsContact N-O 3.13Å | ||
| 1791 | L | 75.5 | Confident | 77 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | trans | -115.5 | 96.9 | -176.6 | -62.7 | -178.9 | 0 | 0 | 0 | 110.1 | Q1800 S1802 S1825 | L1791-Q1800 HydrophobicContact CB-CB 4.05Å; L1791-Q1800 HydrophobicContact CD1-CB 4.43Å; L1791-Q1800 PolarHBondContact O-NE2 2.92Å; L1791-S1802 WeakPolarHBondContact CA-OG 3.2Å; L1791-S1825 WeakPolarHBondContact CD2-O 3.39Å | ||
| 1792 | D | 66.2 | Low | 76.5 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | trans | -95.4 | -27.1 | -169.4 | -72.1 | -45.7 | 0 | 0 | 0 | 113.8 | V1790 S1802 | V1790-D1792 WeakPolarHBondContact CG1-OD1 3.4Å; D1792-S1802 PolarHBondContact N-OG 2.99Å | ||
| 1793 | E | 66.4 | Low | 76.2 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 159.3 | 171.6 | -71.6 | -154.5 | 133 | 0 | 0 | 113.6 | Q1800 M1801 | E1793-Q1800 VanDerWaalsContact O-CA 3.24Å; E1793-Q1800 WeakPolarHBondContact O-CA 3.48Å; E1793-M1801 WeakPolarHBondContact CA-O 3.35Å; E1793-M1801 HydrophobicContact CB-CG 4.18Å; E1793-M1801 VanDerWaalsContact CB-O 3.28Å; E1793-M1801 WeakPolarHBondContact CB-O 3.22Å; E1793-M1801 PolarHBondContact N-O 2.93Å; E1793-M1801 PolarHBondContact O-N 2.79Å |
| 1794 | K | 64.7 | Low | 76 | Confident | 156 Ų | 156 | 51.3 Ų | 51.3 | 68% | 0.678 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.4 | 161.1 | -75.1 | 173.8 | -176 | 162.4 | 0 | 111.1 | Q1800 | K1794-Q1800 HydrophobicContact CG-CG 3.89Å |
| 1795 | S | 58.6 | Low | 76 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | trans | -49.9 | 153.2 | 168.9 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | T1797 G1798 E1799 R1824 | S1795-T1797 WeakPolarHBondContact CB-OG1 3.42Å; S1795-T1797 PolarHBondContact O-N 3.19Å; S1795-T1797 PolarHBondContact OG-N 2.9Å; S1795-T1797 PolarHBondContact OG-OG1 3.38Å; S1795-G1798 WeakPolarHBondContact O-CA 3.23Å; S1795-G1798 PolarHBondContact O-N 3.05Å; S1795-E1799 WeakPolarHBondContact CB-O 3.3Å; S1795-E1799 PolarHBondContact N-O 3.1Å; S1795-R1824 PolarHBondContact OG-NH2 2.94Å | ||
| 1796 | I | 58.9 | Low | 76.1 | Confident | 150 Ų | 150 | 47 Ų | 47 | 77% | 0.769 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -23.9 | 166.9 | -54.2 | 167.3 | 0 | 0 | 0 | 112.1 | ||
| 1797 | T | 55.8 | Low | 76.2 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 0.4 | 175 | 51.5 | 0 | 0 | 0 | 0 | 115.4 | S1795 E1799 I2003 K2007 | S1795-T1797 WeakPolarHBondContact CB-OG1 3.42Å; S1795-T1797 PolarHBondContact O-N 3.19Å; S1795-T1797 PolarHBondContact OG-N 2.9Å; S1795-T1797 PolarHBondContact OG-OG1 3.38Å; T1797-E1799 VanDerWaalsContact C-N 3.31Å; T1797-E1799 WeakPolarHBondContact CB-OE2 3.3Å; T1797-E1799 PolarHBondContact OG1-OE2 3.14Å; T1797-I2003 HydrophobicContact CG2-CG2 4.07Å; T1797-K2007 HydrophobicContact CG2-CD 4.42Å |
| 1798 | G | 59.6 | Low | 76.3 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 80.3 | 1.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1795 | S1795-G1798 WeakPolarHBondContact O-CA 3.23Å; S1795-G1798 PolarHBondContact O-N 3.05Å |
| 1799 | E | 65.5 | Low | 76.7 | Confident | 84 Ų | 84 | 46.3 Ų | 46.3 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | trans | -84.4 | 131.3 | 179.3 | -73.8 | 149.6 | 175.6 | 0 | 0 | 110.5 | S1795 T1797 L1826 K2007 | S1795-E1799 WeakPolarHBondContact CB-O 3.3Å; S1795-E1799 PolarHBondContact N-O 3.1Å; T1797-E1799 VanDerWaalsContact C-N 3.31Å; T1797-E1799 WeakPolarHBondContact CB-OE2 3.3Å; T1797-E1799 PolarHBondContact OG1-OE2 3.14Å; E1799-L1826 HydrophobicContact CB-CD2 4.24Å; E1799-K2007 VanDerWaalsContact CD-NZ 3.33Å; E1799-K2007 IonicContact OE1-NZ 2.65Å; E1799-K2007 PolarHBondContact OE1-NZ 3.04Å; E1799-K2007 IonicContact OE2-NZ 3.11Å | ||
| 1800 | Q | 72.4 | Confident | 76.8 | Confident | 108 Ų | 108 | 46.1 Ų | 46.1 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 142.3 | 173.8 | -75 | 178.7 | -85.5 | 0 | 0 | 111.2 | L1791 E1793 K1794 | L1791-Q1800 HydrophobicContact CB-CB 4.05Å; L1791-Q1800 HydrophobicContact CD1-CB 4.43Å; L1791-Q1800 PolarHBondContact O-NE2 2.92Å; E1793-Q1800 VanDerWaalsContact O-CA 3.24Å; E1793-Q1800 WeakPolarHBondContact O-CA 3.48Å; K1794-Q1800 HydrophobicContact CG-CG 3.89Å |
| 1801 | M | 75.6 | Confident | 76.7 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 169.9 | 177.7 | 54.7 | -175.6 | 41.2 | 0 | 0 | 111.3 | E1793 R1824 S1825 L1826 | E1793-M1801 WeakPolarHBondContact CA-O 3.35Å; E1793-M1801 HydrophobicContact CB-CG 4.18Å; E1793-M1801 VanDerWaalsContact CB-O 3.28Å; E1793-M1801 WeakPolarHBondContact CB-O 3.22Å; E1793-M1801 PolarHBondContact N-O 2.93Å; E1793-M1801 PolarHBondContact O-N 2.79Å; M1801-R1824 HydrophobicContact CE-CB 4.07Å; M1801-R1824 HydrophobicContact CE-CG 4.13Å; M1801-R1824 HydrophobicContact SD-CB 4.31Å; M1801-R1824 HydrophobicContact SD-CG 3.92Å; M1801-S1825 WeakPolarHBondContact CA-O 3.48Å; M1801-S1825 WeakPolarHBondContact CB-O 3.19Å; M1801-L1826 HydrophobicContact CB-CD2 4.25Å; M1801-L1826 HydrophobicContact CE-CD2 3.51Å; M1801-L1826 HydrophobicContact CE-CG 4.39Å |
| 1802 | S | 82.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 149.4 | 165.8 | -75.9 | 0 | 0 | 0 | 0 | 110.1 | V1790 L1791 D1792 I1804 S1825 D1877 | V1790-S1802 PolarHBondContact O-OG 3.41Å; L1791-S1802 WeakPolarHBondContact CA-OG 3.2Å; D1792-S1802 PolarHBondContact N-OG 2.99Å; S1802-I1804 PolarHBondContact O-N 3.08Å; S1802-S1825 PolarHBondContact N-O 2.98Å; S1802-S1825 VanDerWaalsContact N-O 3.13Å; S1802-S1825 VanDerWaalsContact O-CB 3.29Å; S1802-S1825 WeakPolarHBondContact O-CB 3.49Å; S1802-S1825 PolarHBondContact O-N 2.86Å; S1802-D1877 WeakPolarHBondContact CA-OD2 3.24Å; S1802-D1877 WeakPolarHBondContact CB-OD2 3.47Å; S1802-D1877 PolarHBondContact OG-OD2 2.79Å |
| 1803 | D | 85 | Confident | 77.4 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 68.2 | 176.8 | -73.5 | -13.8 | 0 | 0 | 0 | 109.1 | V1821 Y1823 R1824 D1877 N1878 | D1803-V1821 HydrophobicContact CB-CG1 3.95Å; D1803-V1821 VanDerWaalsContact O-CG1 3.29Å; D1803-V1821 WeakPolarHBondContact O-CG1 3.41Å; D1803-Y1823 HydrophobicContact CB-CD1 3.98Å; D1803-Y1823 HydrophobicContact CB-CE1 4.25Å; D1803-Y1823 VanDerWaalsContact CG-CD1 3.5Å; D1803-Y1823 VanDerWaalsContact OD1-CA 3.25Å; D1803-Y1823 WeakPolarHBondContact OD1-CA 3.32Å; D1803-Y1823 VanDerWaalsContact OD2-CD1 3.26Å; D1803-Y1823 WeakPolarHBondContact OD2-CD1 3.47Å; D1803-R1824 PolarHBondContact OD1-N 3.33Å; D1803-D1877 WeakPolarHBondContact CA-OD1 3.33Å; D1803-D1877 PolarHBondContact N-OD1 3.36Å; D1803-N1878 HydrophobicContact CB-CB 4.02Å; D1803-N1878 VanDerWaalsContact O-CB 3.29Å; D1803-N1878 WeakPolarHBondContact O-CB 3.43Å; D1803-N1878 PolarHBondContact O-N 3.2Å |
| 1804 | I | 89 | Confident | 77.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 137.5 | -163.2 | -51.1 | 163.9 | 0 | 0 | 0 | 112.7 | V1789 S1802 H1822 F1832 V1875 W1876 | V1789-I1804 HydrophobicContact CB-CD1 3.79Å; V1789-I1804 HydrophobicContact CG1-CD1 3.95Å; V1789-I1804 HydrophobicContact CG1-CG1 4.14Å; V1789-I1804 HydrophobicContact CG1-CG2 4.27Å; V1789-I1804 HydrophobicContact CG2-CD1 4.1Å; V1789-I1804 HydrophobicContact CG2-CG2 4.47Å; S1802-I1804 PolarHBondContact O-N 3.08Å; I1804-H1822 PolarHBondContact N-O 3.46Å; I1804-H1822 PolarHBondContact O-N 2.94Å; I1804-F1832 HydrophobicContact CB-CZ 4.48Å; I1804-F1832 HydrophobicContact CG2-CZ 4.18Å; I1804-F1832 WeakPolarHBondContact O-CE1 3.5Å; I1804-F1832 WeakPolarHBondContact O-CZ 3.32Å; I1804-V1875 HydrophobicContact CG2-CG2 3.61Å; I1804-W1876 WeakPolarHBondContact CA-O 3.08Å |
| 1805 | Y | 92.4 | Very high | 78.4 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 167.3 | 164.1 | 79.8 | -83.5 | 0 | 0 | 0 | 113.5 | K1807 K1818 V1821 V1875 W1876 N1878 D1884 | Y1805-K1807 HydrophobicContact CD2-CG 4.41Å; Y1805-K1807 HydrophobicContact CE2-CD 4.24Å; Y1805-K1807 HydrophobicContact CE2-CG 3.75Å; Y1805-K1807 VanDerWaalsContact CZ-CE 3.45Å; Y1805-K1807 WeakPolarHBondContact OH-CE 3.22Å; Y1805-K1807 PolarHBondContact OH-NZ 2.88Å; Y1805-K1807 VanDerWaalsContact OH-NZ 3.08Å; Y1805-K1818 HydrophobicContact CD2-CB 4.33Å; Y1805-K1818 HydrophobicContact CD2-CD 4.41Å; Y1805-K1818 HydrophobicContact CE2-CB 4.31Å; Y1805-K1818 HydrophobicContact CE2-CD 3.95Å; Y1805-V1821 HydrophobicContact CD1-CG2 4.32Å; Y1805-V1821 HydrophobicContact CG-CG2 4.33Å; Y1805-V1875 WeakPolarHBondContact O-CA 3.48Å; Y1805-W1876 HydrophobicContact CD1-CB 3.91Å; Y1805-W1876 HydrophobicContact CE1-CB 3.49Å; Y1805-W1876 VanDerWaalsContact CE1-CB 3.49Å; Y1805-W1876 HydrophobicContact CE1-CG 4.4Å; Y1805-W1876 HydrophobicContact CE2-CB 4.32Å; Y1805-W1876 PolarHBondContact N-O 3.5Å; Y1805-W1876 PolarHBondContact O-N 3.4Å; Y1805-N1878 HydrophobicContact CD1-CB 3.95Å; Y1805-N1878 HydrophobicContact CE1-CB 4.1Å; Y1805-D1884 HydrophobicContact CE1-CB 4.28Å; Y1805-D1884 PolarHBondContact OH-OD2 3.15Å |
| 1806 | V | 93.5 | Very high | 79.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.9 | -177 | 177 | 0 | 0 | 0 | 0 | 111.5 | V1783 T1786 K1818 T1819 F1832 Q1874 V1875 F1936 I1950 | V1783-V1806 HydrophobicContact CG1-CG2 4.46Å; T1786-V1806 HydrophobicContact CG2-CG2 3.82Å; V1806-K1818 CarbonylContact O-C 3.6Å; V1806-K1818 WeakPolarHBondContact O-CA 3.19Å; V1806-T1819 HydrophobicContact CB-CG2 4Å; V1806-T1819 PolarHBondContact N-OG1 3.08Å; V1806-T1819 PolarHBondContact O-N 3.45Å; V1806-F1832 HydrophobicContact CG2-CE2 4.42Å; V1806-Q1874 CarbonylContact C-O 3.56Å; V1806-Q1874 VanDerWaalsContact CA-O 3.26Å; V1806-Q1874 WeakPolarHBondContact CA-O 3.47Å; V1806-Q1874 WeakPolarHBondContact CG1-O 3.24Å; V1806-V1875 HydrophobicContact CG2-CB 4.45Å; V1806-F1936 HydrophobicContact CG1-CZ 4.3Å; V1806-F1936 HydrophobicContact CG2-CZ 4.46Å; V1806-I1950 HydrophobicContact CG1-CD1 4.07Å; V1806-I1950 HydrophobicContact CG2-CD1 4.43Å |
| 1807 | K | 93.2 | Very high | 81.4 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 152.8 | 170.1 | -58.9 | 178.1 | -168.3 | 158.5 | 0 | 110.3 | Y1805 Q1817 K1818 L1873 Q1874 W1876 | Y1805-K1807 HydrophobicContact CD2-CG 4.41Å; Y1805-K1807 HydrophobicContact CE2-CD 4.24Å; Y1805-K1807 HydrophobicContact CE2-CG 3.75Å; Y1805-K1807 VanDerWaalsContact CZ-CE 3.45Å; Y1805-K1807 WeakPolarHBondContact OH-CE 3.22Å; Y1805-K1807 PolarHBondContact OH-NZ 2.88Å; Y1805-K1807 VanDerWaalsContact OH-NZ 3.08Å; K1807-Q1817 CarbonylContact C-O 3.54Å; K1807-Q1817 VanDerWaalsContact CA-O 3.3Å; K1807-Q1817 WeakPolarHBondContact CA-O 3.32Å; K1807-K1818 HydrophobicContact CG-CB 4.1Å; K1807-L1873 CarbonylContact O-C 3.57Å; K1807-L1873 WeakPolarHBondContact O-CA 3.36Å; K1807-Q1874 PolarHBondContact N-O 3.03Å; K1807-Q1874 PolarHBondContact O-N 2.83Å; K1807-W1876 HydrophobicContact CD-CD2 4.5Å; K1807-W1876 HydrophobicContact CD-CG 4.42Å; K1807-W1876 HydrophobicContact CD-CZ2 4.5Å |
| 1808 | G | 92.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 148.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1817 F1838 V1872 | G1808-Q1817 PolarHBondContact N-O 2.98Å; G1808-Q1817 PolarHBondContact O-N 3.34Å; G1808-F1838 WeakPolarHBondContact O-CE1 3.37Å; G1808-F1838 WeakPolarHBondContact O-CZ 3.41Å; G1808-V1872 VanDerWaalsContact CA-O 3.25Å; G1808-V1872 WeakPolarHBondContact CA-O 3.35Å |
| 1809 | W | 93.5 | Very high | 84.7 | Confident | 32 Ų | 32 | 44.6 Ų | 44.6 | 12% | 0.121 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 166.2 | 174.4 | 65.2 | 99.2 | 0 | 0 | 0 | 112.2 | R1816 V1872 Q1874 | W1809-R1816 HydrophobicContact CB-CB 4.47Å; W1809-R1816 HydrophobicContact CB-CG 3.94Å; W1809-R1816 HydrophobicContact CD2-CG 4.01Å; W1809-R1816 HydrophobicContact CE3-CG 4.09Å; W1809-R1816 HydrophobicContact CG-CG 3.95Å; W1809-V1872 HydrophobicContact CD2-CB 4.18Å; W1809-V1872 HydrophobicContact CD2-CG1 4.49Å; W1809-V1872 HydrophobicContact CH2-CB 4.45Å; W1809-V1872 HydrophobicContact CH2-CG1 3.74Å; W1809-V1872 HydrophobicContact CZ2-CB 3.95Å; W1809-V1872 HydrophobicContact CZ2-CG1 3.51Å; W1809-V1872 HydrophobicContact CZ3-CG1 4.31Å; W1809-V1872 PolarHBondContact N-O 3.39Å; W1809-V1872 PolarHBondContact O-N 2.65Å; W1809-Q1874 HydrophobicContact CH2-CG 4.18Å; W1809-Q1874 HydrophobicContact CZ3-CG 4.3Å |
| 1810 | L | 89.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.2 | 168.3 | -70.4 | 173.1 | 0 | 0 | 0 | 110 | L1779 G1812 L1813 F1838 F1840 I1849 Q1870 L1871 L1894 | L1779-L1810 HydrophobicContact CD2-CD2 3.99Å; L1810-G1812 PolarHBondContact O-N 2.87Å; L1810-L1813 HydrophobicContact CB-CB 4.49Å; L1810-L1813 HydrophobicContact CB-CD1 4.03Å; L1810-L1813 HydrophobicContact CD1-CD1 4.11Å; L1810-L1813 PolarHBondContact O-N 2.66Å; L1810-F1838 HydrophobicContact CD1-CB 3.76Å; L1810-F1838 HydrophobicContact CD1-CG 4.48Å; L1810-F1838 HydrophobicContact CG-CB 4.21Å; L1810-F1838 HydrophobicContact CG-CG 4.41Å; L1810-F1840 HydrophobicContact CD1-CB 4.23Å; L1810-F1840 HydrophobicContact CD1-CD1 3.61Å; L1810-F1840 HydrophobicContact CD1-CE1 4.03Å; L1810-F1840 HydrophobicContact CD1-CG 3.93Å; L1810-I1849 HydrophobicContact CD1-CD1 4.33Å; L1810-Q1870 CarbonylContact C-O 3.59Å; L1810-Q1870 WeakPolarHBondContact CA-O 3.33Å; L1810-L1871 HydrophobicContact CD2-CB 4Å; L1810-L1871 HydrophobicContact CD2-CD1 4.1Å; L1810-L1894 HydrophobicContact CD2-CD1 3.89Å |
| 1811 | A | 80.7 | Confident | 86.5 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 130.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1870 | A1811-Q1870 HydrophobicContact CB-CB 3.96Å; A1811-Q1870 PolarHBondContact N-O 2.87Å |
| 1812 | G | 74.7 | Confident | 87 | Confident | 49 Ų | 49 | 38.3 Ų | 38.3 | 51% | 0.505 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -14.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1810 I1851 | L1810-G1812 PolarHBondContact O-N 2.87Å; G1812-I1851 VanDerWaalsContact C-CD1 3.46Å; G1812-I1851 WeakPolarHBondContact O-CD1 3.48Å |
| 1813 | L | 80.1 | Confident | 87 | Confident | 46 Ų | 46 | 41 Ų | 41 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | trans | -99.7 | 137.2 | 177 | -71.1 | 171.4 | 0 | 0 | 0 | 112.2 | L1810 F1840 I1851 | L1810-L1813 HydrophobicContact CB-CB 4.49Å; L1810-L1813 HydrophobicContact CB-CD1 4.03Å; L1810-L1813 HydrophobicContact CD1-CD1 4.11Å; L1810-L1813 PolarHBondContact O-N 2.66Å; L1813-F1840 HydrophobicContact CD1-CB 3.79Å; L1813-I1851 HydrophobicContact CG-CD1 4.49Å | ||
| 1814 | D | 71.7 | Confident | 86.7 | Confident | 129 Ų | 129 | 41.7 Ų | 41.7 | 69% | 0.69 | 21% | 0.208 | S | C | * | . | trans | -80.1 | -12.9 | -175.6 | -68.6 | -40.4 | 0 | 0 | 0 | 114.4 | R1816 R1853 | D1814-R1816 VanDerWaalsContact C-N 3.33Å; D1814-R1816 PolarHBondContact O-N 3.03Å; D1814-R1853 IonicContact OD2-NH1 2.94Å | ||
| 1815 | D | 81.6 | Confident | 86.4 | Confident | 65 Ų | 65 | 41.7 Ų | 41.7 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | trans | -75.3 | 75.5 | -177.6 | -174.4 | 17.6 | 0 | 0 | 0 | 112.4 | Q1817 F1838 K1969 | D1815-Q1817 PolarHBondContact O-N 2.85Å; D1815-Q1817 WeakPolarHBondContact OD1-CG 3.45Å; D1815-Q1817 PolarHBondContact OD1-NE2 3.24Å; D1815-Q1817 PolarHBondContact OD2-NE2 3.1Å; D1815-F1838 WeakPolarHBondContact O-CE1 3.15Å; D1815-K1969 IonicContact OD1-NZ 2.69Å; D1815-K1969 PolarHBondContact OD1-NZ 3.11Å; D1815-K1969 IonicContact OD2-NZ 2.93Å; D1815-K1969 PolarHBondContact OD2-NZ 2.81Å | ||
| 1816 | R | 87.6 | Confident | 85.8 | Confident | 173 Ų | 173 | 45.8 Ų | 45.8 | 65% | 0.653 | 23% | 0.23 | S | C | * | . | trans | -79.1 | 108.7 | 174.8 | -61.3 | -173 | -179.3 | -174.6 | 1.3 | 111.3 | W1809 D1814 | W1809-R1816 HydrophobicContact CB-CB 4.47Å; W1809-R1816 HydrophobicContact CB-CG 3.94Å; W1809-R1816 HydrophobicContact CD2-CG 4.01Å; W1809-R1816 HydrophobicContact CE3-CG 4.09Å; W1809-R1816 HydrophobicContact CG-CG 3.95Å; D1814-R1816 VanDerWaalsContact C-N 3.33Å; D1814-R1816 PolarHBondContact O-N 3.03Å | ||
| 1817 | Q | 92.9 | Very high | 85.1 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 154.1 | -178 | -62.2 | 177.8 | 36.3 | 0 | 0 | 111.2 | K1807 G1808 D1815 F1836 V1837 F1838 K1969 | K1807-Q1817 CarbonylContact C-O 3.54Å; K1807-Q1817 VanDerWaalsContact CA-O 3.3Å; K1807-Q1817 WeakPolarHBondContact CA-O 3.32Å; G1808-Q1817 PolarHBondContact N-O 2.98Å; G1808-Q1817 PolarHBondContact O-N 3.34Å; D1815-Q1817 PolarHBondContact O-N 2.85Å; D1815-Q1817 WeakPolarHBondContact OD1-CG 3.45Å; D1815-Q1817 PolarHBondContact OD1-NE2 3.24Å; D1815-Q1817 PolarHBondContact OD2-NE2 3.1Å; Q1817-F1836 HydrophobicContact CB-CB 4.36Å; Q1817-F1836 HydrophobicContact CB-CD1 3.65Å; Q1817-F1836 HydrophobicContact CB-CD2 4.47Å; Q1817-F1836 HydrophobicContact CB-CE1 4.02Å; Q1817-F1836 HydrophobicContact CB-CG 3.93Å; Q1817-V1837 PolarHBondContact NE2-O 2.86Å; Q1817-F1838 HydrophobicContact CB-CE1 4.12Å; Q1817-F1838 HydrophobicContact CB-CZ 4.31Å; Q1817-F1838 HydrophobicContact CG-CE1 3.87Å; Q1817-F1838 HydrophobicContact CG-CZ 4.5Å; Q1817-K1969 VanDerWaalsContact NE2-CE 3.28Å |
| 1818 | K | 92.7 | Very high | 84.6 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 154.5 | 176.9 | 69.2 | 175.2 | -178 | 172.9 | 0 | 113 | Y1805 V1806 K1807 W1834 F1836 | Y1805-K1818 HydrophobicContact CD2-CB 4.33Å; Y1805-K1818 HydrophobicContact CD2-CD 4.41Å; Y1805-K1818 HydrophobicContact CE2-CB 4.31Å; Y1805-K1818 HydrophobicContact CE2-CD 3.95Å; V1806-K1818 CarbonylContact O-C 3.6Å; V1806-K1818 WeakPolarHBondContact O-CA 3.19Å; K1807-K1818 HydrophobicContact CG-CB 4.1Å; K1818-W1834 PolarHBondContact O-NE1 2.97Å; K1818-W1834 VanDerWaalsContact O-NE1 3.07Å; K1818-F1836 VanDerWaalsContact C-CE1 3.45Å |
| 1819 | T | 91.9 | Very high | 84.3 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 172.7 | 175.9 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | V1783 V1806 F1832 W1834 F1836 | V1783-T1819 HydrophobicContact CB-CG2 4.26Å; V1783-T1819 HydrophobicContact CG1-CG2 4.29Å; V1783-T1819 HydrophobicContact CG2-CG2 4.46Å; V1806-T1819 HydrophobicContact CB-CG2 4Å; V1806-T1819 PolarHBondContact N-OG1 3.08Å; V1806-T1819 PolarHBondContact O-N 3.45Å; T1819-F1832 HydrophobicContact CG2-CB 4.42Å; T1819-F1832 HydrophobicContact CG2-CD1 4.26Å; T1819-F1832 HydrophobicContact CG2-CG 4.27Å; T1819-F1832 WeakPolarHBondContact OG1-CD1 3.4Å; T1819-W1834 HydrophobicContact CG2-CB 3.95Å; T1819-W1834 HydrophobicContact CG2-CG 3.91Å; T1819-F1836 HydrophobicContact CG2-CE1 4.04Å; T1819-F1836 HydrophobicContact CG2-CZ 3.81Å |
| 1820 | D | 87.9 | Confident | 84 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 169.4 | 155.7 | 73.5 | -39.1 | 0 | 0 | 0 | 111.2 | F1832 W1834 R1971 R1985 | D1820-F1832 VanDerWaalsContact O-CD1 3.24Å; D1820-F1832 WeakPolarHBondContact O-CD1 3.39Å; D1820-F1832 WeakPolarHBondContact O-CE1 3.45Å; D1820-W1834 HydrophobicContact CB-CE3 4.09Å; D1820-W1834 HydrophobicContact CB-CH2 4.06Å; D1820-W1834 HydrophobicContact CB-CZ3 3.56Å; D1820-R1971 IonicContact OD1-NH2 2.98Å; D1820-R1971 PolarHBondContact OD1-NH2 3.41Å; D1820-R1971 IonicContact OD2-NH2 2.73Å; D1820-R1971 PolarHBondContact OD2-NH2 3.16Å; D1820-R1985 IonicContact OD1-CZ 2.69Å; D1820-R1985 IonicContact OD1-NH2 2.72Å; D1820-R1985 PolarHBondContact OD1-NH2 3.09Å; D1820-R1985 IonicContact OD2-CZ 3.11Å; D1820-R1985 VanDerWaalsContact OD2-CZ 3.31Å; D1820-R1985 IonicContact OD2-NH1 2.68Å; D1820-R1985 PolarHBondContact OD2-NH1 2.88Å; D1820-R1985 IonicContact OD2-NH2 3.66Å; D1820-R1985 PolarHBondContact OD2-NH2 2.86Å |
| 1821 | V | 86.9 | Confident | 84 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 132 | -173.3 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | D1803 Y1805 Y1823 N1878 R1985 | D1803-V1821 HydrophobicContact CB-CG1 3.95Å; D1803-V1821 VanDerWaalsContact O-CG1 3.29Å; D1803-V1821 WeakPolarHBondContact O-CG1 3.41Å; Y1805-V1821 HydrophobicContact CD1-CG2 4.32Å; Y1805-V1821 HydrophobicContact CG-CG2 4.33Å; V1821-Y1823 HydrophobicContact CB-CD2 4.33Å; V1821-Y1823 HydrophobicContact CB-CE1 4.06Å; V1821-Y1823 HydrophobicContact CB-CE2 3.72Å; V1821-Y1823 HydrophobicContact CG1-CD1 3.84Å; V1821-Y1823 HydrophobicContact CG1-CD2 4.23Å; V1821-Y1823 HydrophobicContact CG1-CE1 3.44Å; V1821-Y1823 VanDerWaalsContact CG1-CE1 3.44Å; V1821-Y1823 HydrophobicContact CG1-CE2 3.92Å; V1821-Y1823 HydrophobicContact CG1-CG 4.19Å; V1821-Y1823 VanDerWaalsContact CG1-CZ 3.47Å; V1821-Y1823 PolarHBondContact O-N 3.19Å; V1821-N1878 HydrophobicContact CG1-CB 3.74Å; V1821-N1878 HydrophobicContact CG2-CB 3.99Å; V1821-R1985 PolarHBondContact O-NH1 2.91Å |
| 1822 | H | 87.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 86.3 | 168.5 | -170.5 | 168.2 | 0 | 0 | 0 | 110.4 | I1804 R1824 E1829 G1830 N1831 F1832 P1986 S1989 | I1804-H1822 PolarHBondContact N-O 3.46Å; I1804-H1822 PolarHBondContact O-N 2.94Å; H1822-R1824 PolarHBondContact O-N 2.94Å; H1822-E1829 PolarHBondContact CE1-O 3.47Å; H1822-E1829 VanDerWaalsContact CE1-O 3.27Å; H1822-E1829 PolarHBondContact ND1-O 3.16Å; H1822-G1830 WeakPolarHBondContact ND1-CA 3.41Å; H1822-N1831 PolarHBondContact ND1-N 2.7Å; H1822-F1832 HydrophobicContact CB-CE1 4.24Å; H1822-F1832 HydrophobicContact CB-CZ 4.46Å; H1822-P1986 VanDerWaalsContact NE2-CD 3.33Å; H1822-P1986 WeakPolarHBondContact NE2-CD 3.44Å; H1822-S1989 PolarHBondContact CD2-OG 3.37Å; H1822-S1989 WeakPolarHBondContact NE2-CB 3.46Å; H1822-S1989 PolarHBondContact NE2-OG 3.04Å |
| 1823 | Y | 82.1 | Confident | 85.3 | Confident | 57 Ų | 57 | 47 Ų | 47 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 132.9 | 174.4 | -64.4 | -68.8 | 0 | 0 | 0 | 114 | D1803 V1821 N1878 S1989 L1991 | D1803-Y1823 HydrophobicContact CB-CD1 3.98Å; D1803-Y1823 HydrophobicContact CB-CE1 4.25Å; D1803-Y1823 VanDerWaalsContact CG-CD1 3.5Å; D1803-Y1823 VanDerWaalsContact OD1-CA 3.25Å; D1803-Y1823 WeakPolarHBondContact OD1-CA 3.32Å; D1803-Y1823 VanDerWaalsContact OD2-CD1 3.26Å; D1803-Y1823 WeakPolarHBondContact OD2-CD1 3.47Å; V1821-Y1823 HydrophobicContact CB-CD2 4.33Å; V1821-Y1823 HydrophobicContact CB-CE1 4.06Å; V1821-Y1823 HydrophobicContact CB-CE2 3.72Å; V1821-Y1823 HydrophobicContact CG1-CD1 3.84Å; V1821-Y1823 HydrophobicContact CG1-CD2 4.23Å; V1821-Y1823 HydrophobicContact CG1-CE1 3.44Å; V1821-Y1823 VanDerWaalsContact CG1-CE1 3.44Å; V1821-Y1823 HydrophobicContact CG1-CE2 3.92Å; V1821-Y1823 HydrophobicContact CG1-CG 4.19Å; V1821-Y1823 VanDerWaalsContact CG1-CZ 3.47Å; V1821-Y1823 PolarHBondContact O-N 3.19Å; Y1823-N1878 PolarHBondContact OH-OD1 2.86Å; Y1823-S1989 VanDerWaalsContact O-CA 3.25Å; Y1823-S1989 WeakPolarHBondContact O-CA 3.47Å; Y1823-S1989 WeakPolarHBondContact O-CB 3.3Å; Y1823-S1989 PolarHBondContact O-OG 2.96Å; Y1823-L1991 HydrophobicContact CD1-CD1 3.63Å; Y1823-L1991 HydrophobicContact CD2-CD1 3.9Å; Y1823-L1991 HydrophobicContact CE1-CD1 3.28Å; Y1823-L1991 HydrophobicContact CE1-CG 4.42Å; Y1823-L1991 HydrophobicContact CE2-CD1 3.5Å; Y1823-L1991 HydrophobicContact CG-CD1 3.97Å |
| 1824 | R | 78 | Confident | 85.9 | Confident | 33 Ų | 33 | 47 Ų | 47 | 13% | 0.125 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59 | 53.1 | 174.4 | -56.9 | -176.1 | 127.7 | -130.9 | -9.7 | 113.5 | S1795 M1801 D1803 H1822 L1826 I2003 | S1795-R1824 PolarHBondContact OG-NH2 2.94Å; M1801-R1824 HydrophobicContact CE-CB 4.07Å; M1801-R1824 HydrophobicContact CE-CG 4.13Å; M1801-R1824 HydrophobicContact SD-CB 4.31Å; M1801-R1824 HydrophobicContact SD-CG 3.92Å; D1803-R1824 PolarHBondContact OD1-N 3.33Å; H1822-R1824 PolarHBondContact O-N 2.94Å; R1824-L1826 PolarHBondContact O-N 3.42Å; R1824-I2003 VanDerWaalsContact NH1-CD1 3.29Å |
| 1825 | S | 82.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 112.5 | 166 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | L1791 M1801 S1802 G1828 E1829 | L1791-S1825 WeakPolarHBondContact CD2-O 3.39Å; M1801-S1825 WeakPolarHBondContact CA-O 3.48Å; M1801-S1825 WeakPolarHBondContact CB-O 3.19Å; S1802-S1825 PolarHBondContact N-O 2.98Å; S1802-S1825 VanDerWaalsContact N-O 3.13Å; S1802-S1825 VanDerWaalsContact O-CB 3.29Å; S1802-S1825 WeakPolarHBondContact O-CB 3.49Å; S1802-S1825 PolarHBondContact O-N 2.86Å; S1825-G1828 PolarHBondContact OG-N 2.85Å; S1825-E1829 WeakPolarHBondContact CB-O 3.47Å; S1825-E1829 PolarHBondContact OG-N 3.29Å; S1825-E1829 PolarHBondContact OG-O 3.42Å |
| 1826 | L | 80 | Confident | 87.5 | Confident | 90 Ų | 90 | 37.9 Ų | 37.9 | 47% | 0.471 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -91.6 | -2.8 | -178.1 | -71.4 | 167.2 | 0 | 0 | 0 | 113.1 | E1799 M1801 R1824 | E1799-L1826 HydrophobicContact CB-CD2 4.24Å; M1801-L1826 HydrophobicContact CB-CD2 4.25Å; M1801-L1826 HydrophobicContact CE-CD2 3.51Å; M1801-L1826 HydrophobicContact CE-CG 4.39Å; R1824-L1826 PolarHBondContact O-N 3.42Å |
| 1827 | N | 80.3 | Confident | 87.6 | Confident | 84 Ų | 84 | 30.5 Ų | 30.5 | 45% | 0.449 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -142.3 | 12.4 | -169.6 | 64.3 | -25.7 | 0 | 0 | 0 | 113.5 | E1829 | N1827-E1829 VanDerWaalsContact C-N 3.29Å; N1827-E1829 WeakPolarHBondContact ND2-CG 3.41Å; N1827-E1829 PolarHBondContact ND2-OE2 3.04Å; N1827-E1829 PolarHBondContact O-N 3.41Å |
| 1828 | G | 81.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 71.6 | 22.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1787 D1788 V1789 S1825 | F1787-G1828 CarbonylContact C-O 3.56Å; F1787-G1828 VanDerWaalsContact C-O 3.25Å; F1787-G1828 VanDerWaalsContact CA-O 3.27Å; F1787-G1828 WeakPolarHBondContact CA-O 3.36Å; D1788-G1828 PolarHBondContact N-O 3.48Å; D1788-G1828 VanDerWaalsContact N-O 3.13Å; V1789-G1828 WeakPolarHBondContact CB-O 3.26Å; V1789-G1828 WeakPolarHBondContact CG2-O 3.44Å; V1789-G1828 PolarHBondContact N-O 3.48Å; V1789-G1828 VanDerWaalsContact O-CA 3.26Å; V1789-G1828 WeakPolarHBondContact O-CA 3.43Å; S1825-G1828 PolarHBondContact OG-N 2.85Å |
| 1829 | E | 86.8 | Confident | 87.3 | Confident | 45 Ų | 45 | 27.3 Ų | 27.3 | 21% | 0.21 | 14% | 0.139 | C | C | . | . | trans | -106.8 | 118.2 | 177.7 | -56.4 | -171.4 | 156.9 | 0 | 0 | 110.6 | T1786 F1787 H1822 S1825 N1827 R1904 | T1786-E1829 CarbonylContact O-C 3.49Å; T1786-E1829 VanDerWaalsContact O-CA 3.26Å; T1786-E1829 WeakPolarHBondContact O-CA 3.37Å; F1787-E1829 HydrophobicContact CD1-CB 4.37Å; F1787-E1829 HydrophobicContact CD1-CG 3.72Å; F1787-E1829 WeakPolarHBondContact CD1-OE1 3.27Å; F1787-E1829 HydrophobicContact CE1-CG 4.22Å; H1822-E1829 PolarHBondContact CE1-O 3.47Å; H1822-E1829 VanDerWaalsContact CE1-O 3.27Å; H1822-E1829 PolarHBondContact ND1-O 3.16Å; S1825-E1829 WeakPolarHBondContact CB-O 3.47Å; S1825-E1829 PolarHBondContact OG-N 3.29Å; S1825-E1829 PolarHBondContact OG-O 3.42Å; N1827-E1829 VanDerWaalsContact C-N 3.29Å; N1827-E1829 WeakPolarHBondContact ND2-CG 3.41Å; N1827-E1829 PolarHBondContact ND2-OE2 3.04Å; N1827-E1829 PolarHBondContact O-N 3.41Å; E1829-R1904 IonicContact OE1-CZ 2.68Å; E1829-R1904 IonicContact OE1-NH1 2.75Å; E1829-R1904 PolarHBondContact OE1-NH1 3.49Å; E1829-R1904 IonicContact OE1-NH2 3.86Å | ||
| 1830 | G | 86.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | N1785 T1786 H1822 F1832 | N1785-G1830 CarbonylContact C-O 3.46Å; N1785-G1830 VanDerWaalsContact C-O 3.31Å; N1785-G1830 WeakPolarHBondContact CA-O 3.49Å; N1785-G1830 WeakPolarHBondContact CB-O 3.42Å; T1786-G1830 PolarHBondContact N-O 2.95Å; T1786-G1830 PolarHBondContact O-N 3.09Å; T1786-G1830 WeakPolarHBondContact OG1-CA 3.05Å; T1786-G1830 PolarHBondContact OG1-N 2.9Å; H1822-G1830 WeakPolarHBondContact ND1-CA 3.41Å; G1830-F1832 VanDerWaalsContact C-CE2 3.48Å; G1830-F1832 WeakPolarHBondContact O-CE2 3.43Å |
| 1831 | N | 90.1 | Very high | 87 | Confident | 30 Ų | 30 | 28.6 Ų | 28.6 | 16% | 0.16 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.2 | -178.2 | -61.2 | -5.5 | 0 | 0 | 0 | 109.1 | N1785 H1822 P1983 K1984 R1985 | N1785-N1831 WeakPolarHBondContact OD1-CA 3.45Å; N1785-N1831 PolarHBondContact OD1-OD1 3.33Å; H1822-N1831 PolarHBondContact ND1-N 2.7Å; N1831-P1983 HydrophobicContact CB-CB 4.18Å; N1831-P1983 VanDerWaalsContact O-CB 3.31Å; N1831-P1983 WeakPolarHBondContact O-CB 3.47Å; N1831-K1984 PolarHBondContact ND2-O 2.83Å; N1831-R1985 HydrophobicContact CB-CG 4.28Å; N1831-R1985 PolarHBondContact O-NE 2.87Å; N1831-R1985 PolarHBondContact O-NH2 2.83Å |
| 1832 | F | 90.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -49.3 | -167.4 | -57.3 | -75 | 0 | 0 | 0 | 114.3 | V1783 W1784 T1786 I1804 V1806 T1819 D1820 H1822 G1830 W1834 | V1783-F1832 HydrophobicContact CG1-CB 4.37Å; V1783-F1832 HydrophobicContact CG1-CD2 3.87Å; V1783-F1832 HydrophobicContact CG1-CG 4.36Å; W1784-F1832 PolarHBondContact O-N 3.29Å; T1786-F1832 HydrophobicContact CG2-CE2 3.97Å; I1804-F1832 HydrophobicContact CB-CZ 4.48Å; I1804-F1832 HydrophobicContact CG2-CZ 4.18Å; I1804-F1832 WeakPolarHBondContact O-CE1 3.5Å; I1804-F1832 WeakPolarHBondContact O-CZ 3.32Å; V1806-F1832 HydrophobicContact CG2-CE2 4.42Å; T1819-F1832 HydrophobicContact CG2-CB 4.42Å; T1819-F1832 HydrophobicContact CG2-CD1 4.26Å; T1819-F1832 HydrophobicContact CG2-CG 4.27Å; T1819-F1832 WeakPolarHBondContact OG1-CD1 3.4Å; D1820-F1832 VanDerWaalsContact O-CD1 3.24Å; D1820-F1832 WeakPolarHBondContact O-CD1 3.39Å; D1820-F1832 WeakPolarHBondContact O-CE1 3.45Å; H1822-F1832 HydrophobicContact CB-CE1 4.24Å; H1822-F1832 HydrophobicContact CB-CZ 4.46Å; G1830-F1832 VanDerWaalsContact C-CE2 3.48Å; G1830-F1832 WeakPolarHBondContact O-CE2 3.43Å; F1832-W1834 HydrophobicContact CB-CB 3.99Å |
| 1833 | N | 91.1 | Very high | 86.5 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 12% | 0.118 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.6 | 56.5 | -168.1 | -61.2 | -3.8 | 0 | 0 | 0 | 111.5 | V1783 W1784 R1971 E1981 | V1783-N1833 PolarHBondContact O-N 2.72Å; W1784-N1833 PolarHBondContact O-N 2.78Å; W1784-N1833 VanDerWaalsContact O-N 3.16Å; N1833-R1971 WeakPolarHBondContact O-CG 3.29Å; N1833-E1981 WeakPolarHBondContact CB-O 3.5Å; N1833-E1981 PolarHBondContact ND2-O 3.44Å |
| 1834 | W | 92.8 | Very high | 85.9 | Confident | 47 Ų | 47 | 28.1 Ų | 28.1 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.4 | -166.1 | -166.7 | -81.1 | 0 | 0 | 0 | 112.7 | V1782 V1783 K1818 T1819 D1820 F1832 F1836 A1970 | V1782-W1834 CarbonylContact C-O 3.57Å; V1782-W1834 WeakPolarHBondContact CA-O 3.38Å; V1783-W1834 PolarHBondContact N-O 3.26Å; V1783-W1834 PolarHBondContact O-N 3.43Å; K1818-W1834 PolarHBondContact O-NE1 2.97Å; K1818-W1834 VanDerWaalsContact O-NE1 3.07Å; T1819-W1834 HydrophobicContact CG2-CB 3.95Å; T1819-W1834 HydrophobicContact CG2-CG 3.91Å; D1820-W1834 HydrophobicContact CB-CE3 4.09Å; D1820-W1834 HydrophobicContact CB-CH2 4.06Å; D1820-W1834 HydrophobicContact CB-CZ3 3.56Å; F1832-W1834 HydrophobicContact CB-CB 3.99Å; W1834-F1836 AromaticContact CD1-CD1 3.67Å; W1834-F1836 AromaticContact CD1-CE1 3.4Å; W1834-F1836 VanDerWaalsContact CD1-CE1 3.4Å; W1834-F1836 AromaticContact NE1-CD1 3.89Å; W1834-F1836 AromaticContact NE1-CE1 3.59Å; W1834-A1970 HydrophobicContact CD2-CB 3.84Å; W1834-A1970 HydrophobicContact CE3-CB 4.2Å; W1834-A1970 HydrophobicContact CH2-CB 3.64Å; W1834-A1970 HydrophobicContact CZ2-CB 3.24Å; W1834-A1970 HydrophobicContact CZ3-CB 4.09Å |
| 1835 | R | 93.4 | Very high | 85.4 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.6 | -179.1 | -155.2 | -178.9 | -56.2 | 142.8 | -8.9 | 112.8 | L1781 V1782 V1837 G1968 A1970 E1976 P1978 L1980 | L1781-R1835 CarbonylContact O-C 3.43Å; L1781-R1835 WeakPolarHBondContact O-CA 3.22Å; V1782-R1835 HydrophobicContact CG2-CG 4.18Å; R1835-V1837 HydrophobicContact CG-CG2 4.11Å; R1835-G1968 WeakPolarHBondContact CD-O 3.21Å; R1835-G1968 VanDerWaalsContact NH1-N 3.16Å; R1835-G1968 PolarHBondContact NH1-O 2.94Å; R1835-A1970 WeakPolarHBondContact CB-O 3.22Å; R1835-A1970 PolarHBondContact N-O 2.82Å; R1835-A1970 WeakPolarHBondContact O-CA 3.45Å; R1835-A1970 PolarHBondContact O-N 2.74Å; R1835-E1976 PolarHBondContact NH1-O 2.96Å; R1835-E1976 PolarHBondContact NH2-O 3Å; R1835-P1978 PolarHBondContact NH2-O 3.14Å; R1835-L1980 HydrophobicContact CB-CD1 3.83Å |
| 1836 | F | 94.1 | Very high | 85 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 147.4 | 157.3 | -54.2 | -26.3 | 0 | 0 | 0 | 110.2 | R1780 L1781 V1783 Q1817 K1818 T1819 W1834 F1838 L1873 | R1780-F1836 WeakPolarHBondContact CA-O 3.41Å; L1781-F1836 HydrophobicContact CB-CB 4.3Å; L1781-F1836 HydrophobicContact CD2-CD2 3.88Å; L1781-F1836 HydrophobicContact CD2-CE2 4.44Å; L1781-F1836 PolarHBondContact N-O 2.85Å; L1781-F1836 PolarHBondContact O-N 2.94Å; V1783-F1836 HydrophobicContact CG2-CE2 4.2Å; V1783-F1836 HydrophobicContact CG2-CZ 4.48Å; Q1817-F1836 HydrophobicContact CB-CB 4.36Å; Q1817-F1836 HydrophobicContact CB-CD1 3.65Å; Q1817-F1836 HydrophobicContact CB-CD2 4.47Å; Q1817-F1836 HydrophobicContact CB-CE1 4.02Å; Q1817-F1836 HydrophobicContact CB-CG 3.93Å; K1818-F1836 VanDerWaalsContact C-CE1 3.45Å; T1819-F1836 HydrophobicContact CG2-CE1 4.04Å; T1819-F1836 HydrophobicContact CG2-CZ 3.81Å; W1834-F1836 AromaticContact CD1-CD1 3.67Å; W1834-F1836 AromaticContact CD1-CE1 3.4Å; W1834-F1836 VanDerWaalsContact CD1-CE1 3.4Å; W1834-F1836 AromaticContact NE1-CD1 3.89Å; W1834-F1836 AromaticContact NE1-CE1 3.59Å; F1836-F1838 HydrophobicContact CB-CD2 4.33Å; F1836-F1838 HydrophobicContact CB-CE1 4.38Å; F1836-F1838 HydrophobicContact CB-CE2 3.52Å; F1836-F1838 HydrophobicContact CB-CZ 3.56Å; F1836-F1838 HydrophobicContact CD2-CE2 4.06Å; F1836-F1838 AromaticContact CD2-CZ 3.78Å; F1836-F1838 HydrophobicContact CD2-CZ 3.78Å; F1836-F1838 HydrophobicContact CG-CE2 4.24Å; F1836-F1838 AromaticContact CG-CZ 3.95Å; F1836-F1838 HydrophobicContact CG-CZ 3.95Å; F1836-L1873 HydrophobicContact CE2-CD2 4.23Å |
| 1837 | V | 90.4 | Very high | 84.7 | Confident | 18 Ų | 18 | 26.7 Ų | 26.7 | 11% | 0.109 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 106.9 | -178.1 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | I1778 L1779 Q1817 R1835 K1969 | I1778-V1837 HydrophobicContact CG2-CG1 3.4Å; I1778-V1837 VanDerWaalsContact CG2-CG1 3.4Å; L1779-V1837 WeakPolarHBondContact O-CA 3.33Å; Q1817-V1837 PolarHBondContact NE2-O 2.86Å; R1835-V1837 HydrophobicContact CG-CG2 4.11Å; V1837-K1969 HydrophobicContact CB-CG 4.07Å; V1837-K1969 HydrophobicContact CG2-CG 4.15Å |
| 1838 | F | 91.3 | Very high | 84.7 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 105.3 | -177.5 | -52.8 | -71.5 | 0 | 0 | 0 | 110.2 | I1778 L1779 G1808 L1810 D1815 Q1817 F1836 L1871 | I1778-F1838 WeakPolarHBondContact CA-O 3.33Å; L1779-F1838 HydrophobicContact CB-CB 4.4Å; L1779-F1838 HydrophobicContact CD2-CD2 4.21Å; L1779-F1838 HydrophobicContact CG-CD2 4.42Å; L1779-F1838 PolarHBondContact N-O 3.07Å; L1779-F1838 PolarHBondContact O-N 2.8Å; G1808-F1838 WeakPolarHBondContact O-CE1 3.37Å; G1808-F1838 WeakPolarHBondContact O-CZ 3.41Å; L1810-F1838 HydrophobicContact CD1-CB 3.76Å; L1810-F1838 HydrophobicContact CD1-CG 4.48Å; L1810-F1838 HydrophobicContact CG-CB 4.21Å; L1810-F1838 HydrophobicContact CG-CG 4.41Å; D1815-F1838 WeakPolarHBondContact O-CE1 3.15Å; Q1817-F1838 HydrophobicContact CB-CE1 4.12Å; Q1817-F1838 HydrophobicContact CB-CZ 4.31Å; Q1817-F1838 HydrophobicContact CG-CE1 3.87Å; Q1817-F1838 HydrophobicContact CG-CZ 4.5Å; F1836-F1838 HydrophobicContact CB-CD2 4.33Å; F1836-F1838 HydrophobicContact CB-CE1 4.38Å; F1836-F1838 HydrophobicContact CB-CE2 3.52Å; F1836-F1838 HydrophobicContact CB-CZ 3.56Å; F1836-F1838 HydrophobicContact CD2-CE2 4.06Å; F1836-F1838 AromaticContact CD2-CZ 3.78Å; F1836-F1838 HydrophobicContact CD2-CZ 3.78Å; F1836-F1838 HydrophobicContact CG-CE2 4.24Å; F1836-F1838 AromaticContact CG-CZ 3.95Å; F1836-F1838 HydrophobicContact CG-CZ 3.95Å; F1838-L1871 HydrophobicContact CE2-CD1 4.12Å |
| 1839 | P | 87.9 | Confident | 84.7 | Confident | 70 Ų | 70 | 24.3 Ų | 24.3 | 46% | 0.455 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 138.8 | 169.8 | 32.2 | -32.6 | 0 | 0 | 0 | 110.7 | Y1777 I1778 | Y1777-P1839 WeakPolarHBondContact O-CA 3.49Å; I1778-P1839 HydrophobicContact CG1-CB 4.24Å |
| 1840 | F | 88.2 | Confident | 84.3 | Confident | 7 Ų | 7 | 22.3 Ų | 22.3 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 151.8 | 178.4 | 66.6 | -77.2 | 0 | 0 | 0 | 111.7 | Y1777 L1779 L1810 L1813 Y1842 I1849 L1894 F1925 L1956 | Y1777-F1840 PolarHBondContact N-O 3.26Å; Y1777-F1840 PolarHBondContact O-N 2.6Å; Y1777-F1840 VanDerWaalsContact O-O 3.05Å; L1779-F1840 HydrophobicContact CB-CE1 3.89Å; L1810-F1840 HydrophobicContact CD1-CB 4.23Å; L1810-F1840 HydrophobicContact CD1-CD1 3.61Å; L1810-F1840 HydrophobicContact CD1-CE1 4.03Å; L1810-F1840 HydrophobicContact CD1-CG 3.93Å; L1813-F1840 HydrophobicContact CD1-CB 3.79Å; F1840-Y1842 HydrophobicContact CE2-CD2 4.38Å; F1840-Y1842 HydrophobicContact CE2-CG 4.16Å; F1840-I1849 HydrophobicContact CB-CD1 4.5Å; F1840-I1849 HydrophobicContact CB-CG2 4.24Å; F1840-I1849 HydrophobicContact CD2-CB 4.45Å; F1840-I1849 HydrophobicContact CD2-CD1 3.54Å; F1840-I1849 HydrophobicContact CD2-CG1 3.64Å; F1840-I1849 HydrophobicContact CD2-CG2 4.21Å; F1840-I1849 HydrophobicContact CE2-CD1 3.89Å; F1840-I1849 HydrophobicContact CE2-CG1 3.96Å; F1840-I1849 HydrophobicContact CG-CD1 4.18Å; F1840-L1894 HydrophobicContact CZ-CD1 4.44Å; F1840-F1925 AromaticContact CE2-CE1 3.97Å; F1840-F1925 HydrophobicContact CE2-CE1 3.97Å; F1840-F1925 AromaticContact CE2-CZ 4Å; F1840-F1925 HydrophobicContact CE2-CZ 4Å; F1840-F1925 AromaticContact CZ-CE1 3.93Å; F1840-F1925 HydrophobicContact CZ-CE1 3.93Å; F1840-F1925 HydrophobicContact CZ-CZ 4.08Å; F1840-L1956 HydrophobicContact CE1-CD1 3.75Å; F1840-L1956 HydrophobicContact CZ-CD1 3.67Å |
| 1841 | F | 85.5 | Confident | 83.8 | Confident | 66 Ų | 66 | 23.1 Ų | 23.1 | 29% | 0.289 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 136.3 | 169.2 | -59 | -98.6 | 0 | 0 | 0 | 108.9 | P1774 N1775 E1776 I1849 V1850 | P1774-F1841 HydrophobicContact CB-CB 4.04Å; P1774-F1841 HydrophobicContact CG-CB 4.12Å; P1774-F1841 HydrophobicContact CG-CD1 4.46Å; N1775-F1841 CarbonylContact O-C 3.52Å; N1775-F1841 WeakPolarHBondContact O-CA 3.43Å; E1776-F1841 HydrophobicContact CG-CD1 3.44Å; E1776-F1841 VanDerWaalsContact CG-CD1 3.44Å; E1776-F1841 HydrophobicContact CG-CE1 3.19Å; E1776-F1841 HydrophobicContact CG-CG 4.2Å; E1776-F1841 HydrophobicContact CG-CZ 3.78Å; F1841-I1849 CarbonylContact O-C 3.58Å; F1841-I1849 VanDerWaalsContact O-CA 3.25Å; F1841-I1849 WeakPolarHBondContact O-CA 3.22Å; F1841-I1849 WeakPolarHBondContact O-CG2 3.44Å; F1841-V1850 HydrophobicContact CB-CB 4.24Å; F1841-V1850 WeakPolarHBondContact CB-O 3.14Å; F1841-V1850 PolarHBondContact O-N 3.06Å |
| 1842 | Y | 82.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.02 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139 | -179.6 | 174.2 | -104.7 | 0 | 0 | 0 | 111 | N1775 Y1777 F1840 P1844 N1847 N1848 I1849 P1869 F1925 | N1775-Y1842 PolarHBondContact N-O 3.02Å; N1775-Y1842 PolarHBondContact O-N 3.33Å; Y1777-Y1842 HydrophobicContact CD2-CD1 4.23Å; Y1777-Y1842 AromaticContact CE2-CD1 3.94Å; Y1777-Y1842 HydrophobicContact CE2-CD1 3.94Å; F1840-Y1842 HydrophobicContact CE2-CD2 4.38Å; F1840-Y1842 HydrophobicContact CE2-CG 4.16Å; Y1842-P1844 HydrophobicContact CD1-CB 4.29Å; Y1842-P1844 HydrophobicContact CD1-CG 3.81Å; Y1842-P1844 VanDerWaalsContact CE1-CA 3.45Å; Y1842-P1844 HydrophobicContact CE1-CB 3.77Å; Y1842-P1844 HydrophobicContact CE1-CG 3.8Å; Y1842-P1844 WeakPolarHBondContact O-CD 3.45Å; Y1842-N1847 PolarHBondContact OH-OD1 3.32Å; Y1842-N1847 VanDerWaalsContact OH-OD1 3.05Å; Y1842-N1848 VanDerWaalsContact CD2-C 3.48Å; Y1842-N1848 WeakPolarHBondContact CD2-O 3.42Å; Y1842-I1849 HydrophobicContact CD2-CG1 4.28Å; Y1842-P1869 HydrophobicContact CD2-CB 4.42Å; Y1842-P1869 HydrophobicContact CE2-CB 4.23Å; Y1842-P1869 HydrophobicContact CE2-CG 3.91Å; Y1842-F1925 AromaticContact CD1-CD1 3.49Å; Y1842-F1925 HydrophobicContact CD1-CD1 3.49Å; Y1842-F1925 VanDerWaalsContact CD1-CD1 3.49Å; Y1842-F1925 AromaticContact CD1-CE1 3.24Å; Y1842-F1925 HydrophobicContact CD1-CE1 3.24Å; Y1842-F1925 HydrophobicContact CD1-CG 4.33Å; Y1842-F1925 AromaticContact CD1-CZ 3.89Å; Y1842-F1925 HydrophobicContact CD1-CZ 3.89Å; Y1842-F1925 AromaticContact CD2-CE1 3.88Å; Y1842-F1925 HydrophobicContact CD2-CE1 3.88Å; Y1842-F1925 HydrophobicContact CD2-CE2 4.41Å; Y1842-F1925 AromaticContact CD2-CZ 3.69Å; Y1842-F1925 HydrophobicContact CD2-CZ 3.69Å; Y1842-F1925 HydrophobicContact CE1-CB 4.38Å; Y1842-F1925 AromaticContact CE1-CD1 3.2Å; Y1842-F1925 HydrophobicContact CE1-CD1 3.2Å; Y1842-F1925 AromaticContact CE1-CD2 3.98Å; Y1842-F1925 HydrophobicContact CE1-CD2 3.98Å; Y1842-F1925 AromaticContact CE1-CE1 3.3Å; Y1842-F1925 HydrophobicContact CE1-CE1 3.3Å; Y1842-F1925 HydrophobicContact CE1-CE2 4.04Å; Y1842-F1925 AromaticContact CE1-CG 3.59Å; Y1842-F1925 HydrophobicContact CE1-CG 3.59Å; Y1842-F1925 AromaticContact CE1-CZ 3.73Å; Y1842-F1925 HydrophobicContact CE1-CZ 3.73Å; Y1842-F1925 HydrophobicContact CE2-CD2 4.42Å; Y1842-F1925 AromaticContact CE2-CE1 3.96Å; Y1842-F1925 HydrophobicContact CE2-CE1 3.96Å; Y1842-F1925 AromaticContact CE2-CE2 3.8Å; Y1842-F1925 HydrophobicContact CE2-CE2 3.8Å; Y1842-F1925 AromaticContact CE2-CZ 3.54Å; Y1842-F1925 HydrophobicContact CE2-CZ 3.54Å; Y1842-F1925 HydrophobicContact CG-CD1 4.26Å; Y1842-F1925 AromaticContact CG-CE1 3.54Å; Y1842-F1925 HydrophobicContact CG-CE1 3.54Å; Y1842-F1925 AromaticContact CG-CZ 3.87Å; Y1842-F1925 HydrophobicContact CG-CZ 3.87Å; Y1842-F1925 AromaticContact CZ-CD1 3.8Å; Y1842-F1925 AromaticContact CZ-CD2 3.73Å; Y1842-F1925 AromaticContact CZ-CE1 3.67Å; Y1842-F1925 AromaticContact CZ-CE2 3.57Å; Y1842-F1925 AromaticContact CZ-CG 3.86Å; Y1842-F1925 AromaticContact CZ-CZ 3.54Å |
| 1843 | L | 79.3 | Confident | 82.2 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 93.4 | -175.7 | -153.2 | 159.1 | 0 | 0 | 0 | 108 | R1772 P1774 A1845 E1846 N1847 N1848 V1850 | R1772-L1843 HydrophobicContact CB-CD1 4.05Å; R1772-L1843 HydrophobicContact CB-CD2 3.98Å; R1772-L1843 HydrophobicContact CB-CG 4.32Å; R1772-L1843 WeakPolarHBondContact O-CD1 3.26Å; P1774-L1843 HydrophobicContact CB-CB 4.14Å; P1774-L1843 HydrophobicContact CB-CD1 4.34Å; P1774-L1843 HydrophobicContact CB-CG 4.4Å; L1843-A1845 HydrophobicContact CD2-CB 4.18Å; L1843-A1845 PolarHBondContact O-N 3.12Å; L1843-A1845 VanDerWaalsContact O-N 3.11Å; L1843-E1846 HydrophobicContact CD2-CB 4.04Å; L1843-E1846 HydrophobicContact CD2-CG 3.89Å; L1843-E1846 PolarHBondContact O-N 2.69Å; L1843-E1846 VanDerWaalsContact O-N 3.1Å; L1843-N1847 PolarHBondContact O-N 2.73Å; L1843-N1847 VanDerWaalsContact O-N 3.1Å; L1843-N1848 PolarHBondContact N-O 2.82Å; L1843-V1850 HydrophobicContact CB-CG2 4.24Å; L1843-V1850 HydrophobicContact CD1-CG2 4.29Å |
| 1844 | P | 70.4 | Confident | 80.7 | Confident | 64 Ų | 64 | 35.6 Ų | 35.6 | 42% | 0.416 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -24.7 | -166.5 | -21.9 | 33 | 0 | 0 | 0 | 114.4 | Y1777 Y1842 E1846 | Y1777-P1844 HydrophobicContact CE2-CG 4.49Å; Y1842-P1844 HydrophobicContact CD1-CB 4.29Å; Y1842-P1844 HydrophobicContact CD1-CG 3.81Å; Y1842-P1844 VanDerWaalsContact CE1-CA 3.45Å; Y1842-P1844 HydrophobicContact CE1-CB 3.77Å; Y1842-P1844 HydrophobicContact CE1-CG 3.8Å; Y1842-P1844 WeakPolarHBondContact O-CD 3.45Å; P1844-E1846 VanDerWaalsContact C-N 3.33Å |
| 1845 | A | 68.5 | Low | 79 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 12% | 0.124 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -17.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1449 L1451 L1843 | K1449-A1845 WeakPolarHBondContact CA-O 3.41Å; L1451-A1845 HydrophobicContact CD1-CB 4.1Å; L1451-A1845 HydrophobicContact CD2-CB 3.73Å; L1451-A1845 HydrophobicContact CG-CB 4.03Å; L1843-A1845 HydrophobicContact CD2-CB 4.18Å; L1843-A1845 PolarHBondContact O-N 3.12Å; L1843-A1845 VanDerWaalsContact O-N 3.11Å |
| 1846 | E | 72.8 | Confident | 77.4 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -2.6 | 176.2 | -69 | 174.4 | -146.7 | 0 | 0 | 112.9 | K1449 L1843 P1844 N1848 R1866 | K1449-E1846 HydrophobicContact CD-CG 4.22Å; K1449-E1846 HydrophobicContact CG-CG 4.24Å; L1843-E1846 HydrophobicContact CD2-CB 4.04Å; L1843-E1846 HydrophobicContact CD2-CG 3.89Å; L1843-E1846 PolarHBondContact O-N 2.69Å; L1843-E1846 VanDerWaalsContact O-N 3.1Å; P1844-E1846 VanDerWaalsContact C-N 3.33Å; E1846-N1848 VanDerWaalsContact C-N 3.28Å; E1846-N1848 PolarHBondContact O-N 2.91Å; E1846-N1848 PolarHBondContact O-ND2 3.1Å; E1846-R1866 IonicContact OE1-NH1 2.93Å; E1846-R1866 PolarHBondContact OE1-NH1 2.71Å; E1846-R1866 IonicContact OE2-CZ 2.69Å; E1846-R1866 IonicContact OE2-NE 2.62Å; E1846-R1866 IonicContact OE2-NH1 2.61Å; E1846-R1866 PolarHBondContact OE2-NH1 3.44Å |
| 1847 | N | 74.3 | Confident | 75.6 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 36.5 | -178.9 | -166.7 | 14.2 | 0 | 0 | 0 | 114.2 | Y1842 L1843 P1869 S1895 | Y1842-N1847 PolarHBondContact OH-OD1 3.32Å; Y1842-N1847 VanDerWaalsContact OH-OD1 3.05Å; L1843-N1847 PolarHBondContact O-N 2.73Å; L1843-N1847 VanDerWaalsContact O-N 3.1Å; N1847-P1869 WeakPolarHBondContact O-CD 3.27Å; N1847-S1895 VanDerWaalsContact CG-OG 3.27Å; N1847-S1895 WeakPolarHBondContact ND2-CB 3.27Å; N1847-S1895 PolarHBondContact ND2-OG 2.99Å; N1847-S1895 WeakPolarHBondContact OD1-CB 3.45Å; N1847-S1895 PolarHBondContact OD1-OG 2.85Å |
| 1848 | N | 80.9 | Confident | 73.8 | Confident | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.9 | -179.4 | -69.3 | -44 | 0 | 0 | 0 | 112.1 | Y1842 L1843 E1846 R1866 V1867 | Y1842-N1848 VanDerWaalsContact CD2-C 3.48Å; Y1842-N1848 WeakPolarHBondContact CD2-O 3.42Å; L1843-N1848 PolarHBondContact N-O 2.82Å; E1846-N1848 VanDerWaalsContact C-N 3.28Å; E1846-N1848 PolarHBondContact O-N 2.91Å; E1846-N1848 PolarHBondContact O-ND2 3.1Å; N1848-R1866 HydrophobicContact CB-CB 4.16Å; N1848-V1867 CarbonylContact C-O 3.31Å; N1848-V1867 WeakPolarHBondContact CA-O 3.38Å |
| 1849 | I | 81.7 | Confident | 71.8 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 135.3 | 159.4 | -61.8 | -169.7 | 0 | 0 | 0 | 108 | L1810 F1840 F1841 Y1842 I1851 R1866 V1867 P1869 | L1810-I1849 HydrophobicContact CD1-CD1 4.33Å; F1840-I1849 HydrophobicContact CB-CD1 4.5Å; F1840-I1849 HydrophobicContact CB-CG2 4.24Å; F1840-I1849 HydrophobicContact CD2-CB 4.45Å; F1840-I1849 HydrophobicContact CD2-CD1 3.54Å; F1840-I1849 HydrophobicContact CD2-CG1 3.64Å; F1840-I1849 HydrophobicContact CD2-CG2 4.21Å; F1840-I1849 HydrophobicContact CE2-CD1 3.89Å; F1840-I1849 HydrophobicContact CE2-CG1 3.96Å; F1840-I1849 HydrophobicContact CG-CD1 4.18Å; F1841-I1849 CarbonylContact O-C 3.58Å; F1841-I1849 VanDerWaalsContact O-CA 3.25Å; F1841-I1849 WeakPolarHBondContact O-CA 3.22Å; F1841-I1849 WeakPolarHBondContact O-CG2 3.44Å; Y1842-I1849 HydrophobicContact CD2-CG1 4.28Å; I1849-I1851 HydrophobicContact CG2-CD1 4.48Å; I1849-I1851 HydrophobicContact CG2-CG1 3.87Å; I1849-R1866 WeakPolarHBondContact O-CA 3.39Å; I1849-V1867 HydrophobicContact CB-CG2 4.47Å; I1849-V1867 PolarHBondContact N-O 3.37Å; I1849-V1867 PolarHBondContact O-N 3.16Å; I1849-P1869 HydrophobicContact CD1-CB 3.94Å; I1849-P1869 HydrophobicContact CG1-CB 3.77Å |
| 1850 | V | 78.4 | Confident | 70.4 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.6 | 170.7 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | P1774 F1841 L1843 K1852 E1864 R1866 | P1774-V1850 HydrophobicContact CB-CB 3.99Å; P1774-V1850 HydrophobicContact CB-CG2 3.66Å; P1774-V1850 HydrophobicContact CG-CB 3.93Å; P1774-V1850 HydrophobicContact CG-CG1 4.17Å; P1774-V1850 HydrophobicContact CG-CG2 3.92Å; F1841-V1850 HydrophobicContact CB-CB 4.24Å; F1841-V1850 WeakPolarHBondContact CB-O 3.14Å; F1841-V1850 PolarHBondContact O-N 3.06Å; L1843-V1850 HydrophobicContact CB-CG2 4.24Å; L1843-V1850 HydrophobicContact CD1-CG2 4.29Å; V1850-K1852 HydrophobicContact CG1-CG 4.44Å; V1850-E1864 HydrophobicContact CG1-CB 4.23Å; V1850-E1864 WeakPolarHBondContact CG1-OE2 3.47Å; V1850-R1866 HydrophobicContact CG2-CG 4.43Å |
| 1851 | I | 75.2 | Confident | 69.3 | Low | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 112.3 | -179 | -56.4 | -172.1 | 0 | 0 | 0 | 107.8 | G1812 L1813 I1849 R1853 E1864 Q1865 V1867 | G1812-I1851 VanDerWaalsContact C-CD1 3.46Å; G1812-I1851 WeakPolarHBondContact O-CD1 3.48Å; L1813-I1851 HydrophobicContact CG-CD1 4.49Å; I1849-I1851 HydrophobicContact CG2-CD1 4.48Å; I1849-I1851 HydrophobicContact CG2-CG1 3.87Å; I1851-R1853 HydrophobicContact CG2-CB 4.46Å; I1851-E1864 WeakPolarHBondContact O-CA 3.5Å; I1851-Q1865 HydrophobicContact CB-CB 4.47Å; I1851-Q1865 PolarHBondContact N-O 2.93Å; I1851-Q1865 PolarHBondContact O-N 2.77Å; I1851-V1867 HydrophobicContact CD1-CG2 3.42Å; I1851-V1867 VanDerWaalsContact CD1-CG2 3.42Å; I1851-V1867 HydrophobicContact CG1-CG2 3.9Å |
| 1852 | K | 74.8 | Confident | 68.4 | Low | 94 Ų | 94 | 70.5 Ų | 70.5 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 112.2 | 175.8 | -52.4 | -156.3 | -175.4 | -146 | 0 | 108.6 | V1850 V1862 T1863 E1864 | V1850-K1852 HydrophobicContact CG1-CG 4.44Å; K1852-V1862 HydrophobicContact CB-CG1 3.74Å; K1852-T1863 WeakPolarHBondContact CA-O 3.18Å; K1852-E1864 HydrophobicContact CD-CG 4.46Å; K1852-E1864 WeakPolarHBondContact CD-OE1 3.24Å; K1852-E1864 WeakPolarHBondContact CE-OE1 3.4Å; K1852-E1864 HydrophobicContact CG-CG 4.19Å; K1852-E1864 IonicContact NZ-OE1 2.78Å; K1852-E1864 PolarHBondContact NZ-OE1 2.9Å |
| 1853 | R | 71.9 | Confident | 67.6 | Low | 123 Ų | 123 | 72 Ų | 72 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.3 | -173.6 | 172.7 | 169.3 | 170.5 | 175.9 | -10.3 | 112.2 | D1814 I1851 E1855 V1862 T1863 | D1814-R1853 IonicContact OD2-NH1 2.94Å; I1851-R1853 HydrophobicContact CG2-CB 4.46Å; R1853-E1855 PolarHBondContact NH2-O 2.81Å; R1853-V1862 CarbonylContact O-C 3.47Å; R1853-V1862 WeakPolarHBondContact O-CA 3.44Å; R1853-T1863 PolarHBondContact N-O 3.27Å; R1853-T1863 PolarHBondContact O-N 3.13Å; R1853-T1863 PolarHBondContact O-OG1 3.01Å |
| 1854 | K | 60.8 | Low | 67.3 | Low | 97 Ų | 97 | 76.8 Ų | 76.8 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | trans | -87 | 119.7 | 158.7 | -81 | 173.4 | 176.2 | -91.5 | 0 | 107.8 | H1856 S1859 M1860 D1861 V1862 | K1854-H1856 VanDerWaalsContact C-N 3.26Å; K1854-H1856 PolarHBondContact O-N 3.22Å; K1854-S1859 WeakPolarHBondContact CA-OG 3.34Å; K1854-S1859 VanDerWaalsContact CB-OG 3.26Å; K1854-S1859 WeakPolarHBondContact CB-OG 3.33Å; K1854-S1859 PolarHBondContact NZ-O 2.91Å; K1854-M1860 VanDerWaalsContact NZ-C 3.3Å; K1854-M1860 PolarHBondContact NZ-O 2.95Å; K1854-D1861 WeakPolarHBondContact CG-O 3.32Å; K1854-V1862 HydrophobicContact CG-CG2 4.13Å | ||
| 1855 | E | 56.6 | Low | 67.5 | Low | 90 Ų | 90 | 79.4 Ų | 79.4 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -56.4 | -45.1 | -175.5 | -71 | -159.2 | 132.8 | 0 | 0 | 111.5 | R1853 S1859 | R1853-E1855 PolarHBondContact NH2-O 2.81Å; E1855-S1859 PolarHBondContact N-OG 2.82Å |
| 1856 | H | 59.1 | Low | 68 | Low | 135 Ų | 135 | 83.4 Ų | 83.4 | 63% | 0.625 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -134.9 | 160.6 | 178.8 | -56.1 | -38.1 | 0 | 0 | 0 | 111.4 | K1854 W1858 S1859 | K1854-H1856 VanDerWaalsContact C-N 3.26Å; K1854-H1856 PolarHBondContact O-N 3.22Å; H1856-W1858 PolarHBondContact O-N 3.38Å; H1856-S1859 PolarHBondContact N-OG 2.97Å; H1856-S1859 PolarHBondContact O-N 2.97Å; H1856-S1859 PolarHBondContact O-OG 3.25Å |
| 1857 | F | 57.2 | Low | 68.4 | Low | 187 Ų | 187 | 84.7 Ų | 84.7 | 82% | 0.82 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.5 | -176.2 | -164.2 | -95 | 0 | 0 | 0 | 114.4 | ||
| 1858 | W | 52 | Low | 68.7 | Low | 230 Ų | 230 | 90.1 Ų | 90.1 | 87% | 0.871 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -6.9 | 179.7 | -54 | 112.1 | 0 | 0 | 0 | 114.8 | H1856 M1860 | H1856-W1858 PolarHBondContact O-N 3.38Å; W1858-M1860 PolarHBondContact O-N 3.08Å |
| 1859 | S | 49.8 | Very low | 68.8 | Low | 35 Ų | 35 | 88.5 Ų | 88.5 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | trans | -65.4 | 127.2 | 177.7 | 55 | 0 | 0 | 0 | 0 | 110.4 | K1854 E1855 H1856 | K1854-S1859 WeakPolarHBondContact CA-OG 3.34Å; K1854-S1859 VanDerWaalsContact CB-OG 3.26Å; K1854-S1859 WeakPolarHBondContact CB-OG 3.33Å; K1854-S1859 PolarHBondContact NZ-O 2.91Å; E1855-S1859 PolarHBondContact N-OG 2.82Å; H1856-S1859 PolarHBondContact N-OG 2.97Å; H1856-S1859 PolarHBondContact O-N 2.97Å; H1856-S1859 PolarHBondContact O-OG 3.25Å | ||
| 1860 | M | 57.8 | Low | 69.2 | Low | 145 Ų | 145 | 91.5 Ų | 91.5 | 71% | 0.714 | 41% | 0.413 | S | S | * | . | trans | -71.8 | -42.8 | 179.2 | -83.3 | 179 | 42.4 | 0 | 0 | 111.4 | K1854 W1858 | K1854-M1860 VanDerWaalsContact NZ-C 3.3Å; K1854-M1860 PolarHBondContact NZ-O 2.95Å; W1858-M1860 PolarHBondContact O-N 3.08Å | ||
| 1861 | D | 65.8 | Low | 69.9 | Low | 57 Ų | 57 | 91.4 Ų | 91.4 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -95.5 | 164.2 | -173.3 | -56.7 | -67.9 | 0 | 0 | 0 | 112.9 | Y1577 P1579 K1854 | Y1577-D1861 PolarHBondContact OH-OD1 2.65Å; Y1577-D1861 VanDerWaalsContact OH-OD1 3.05Å; Y1577-D1861 PolarHBondContact OH-OD2 2.84Å; Y1577-D1861 VanDerWaalsContact OH-OD2 3.13Å; P1579-D1861 HydrophobicContact CB-CB 3.9Å; P1579-D1861 HydrophobicContact CG-CB 4.08Å; K1854-D1861 WeakPolarHBondContact CG-O 3.32Å |
| 1862 | V | 67.1 | Low | 70.7 | Confident | 68 Ų | 68 | 91.1 Ų | 91.1 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | trans | -113.2 | 112.8 | -178.3 | -178 | 0 | 0 | 0 | 0 | 107.1 | K1852 R1853 K1854 | K1852-V1862 HydrophobicContact CB-CG1 3.74Å; R1853-V1862 CarbonylContact O-C 3.47Å; R1853-V1862 WeakPolarHBondContact O-CA 3.44Å; K1854-V1862 HydrophobicContact CG-CG2 4.13Å | ||
| 1863 | T | 66.3 | Low | 71.7 | Confident | 37 Ų | 37 | 86.6 Ų | 86.6 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 151.4 | 176.8 | 55 | 0 | 0 | 0 | 0 | 110.7 | N1580 K1852 R1853 | N1580-T1863 HydrophobicContact CB-CG2 4.06Å; K1852-T1863 WeakPolarHBondContact CA-O 3.18Å; R1853-T1863 PolarHBondContact N-O 3.27Å; R1853-T1863 PolarHBondContact O-N 3.13Å; R1853-T1863 PolarHBondContact O-OG1 3.01Å |
| 1864 | E | 72.5 | Confident | 72.7 | Confident | 104 Ų | 104 | 82.5 Ų | 82.5 | 49% | 0.486 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.5 | 179.6 | -60.6 | -158.9 | 175.2 | 0 | 0 | 111.6 | V1850 I1851 K1852 | V1850-E1864 HydrophobicContact CG1-CB 4.23Å; V1850-E1864 WeakPolarHBondContact CG1-OE2 3.47Å; I1851-E1864 WeakPolarHBondContact O-CA 3.5Å; K1852-E1864 HydrophobicContact CD-CG 4.46Å; K1852-E1864 WeakPolarHBondContact CD-OE1 3.24Å; K1852-E1864 WeakPolarHBondContact CE-OE1 3.4Å; K1852-E1864 HydrophobicContact CG-CG 4.19Å; K1852-E1864 IonicContact NZ-OE1 2.78Å; K1852-E1864 PolarHBondContact NZ-OE1 2.9Å |
| 1865 | Q | 75.1 | Confident | 74.2 | Confident | 120 Ų | 120 | 77.9 Ų | 77.9 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.9 | 175 | -167.3 | 179.8 | 24.7 | 0 | 0 | 110.8 | I1851 | I1851-Q1865 HydrophobicContact CB-CB 4.47Å; I1851-Q1865 PolarHBondContact N-O 2.93Å; I1851-Q1865 PolarHBondContact O-N 2.77Å |
| 1866 | R | 77.8 | Confident | 75.9 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.4 | 175.3 | -55.3 | -169.8 | -168.2 | 162.8 | 15.5 | 110.1 | E1585 E1846 N1848 I1849 V1850 | E1585-R1866 IonicContact OE2-CZ 3.13Å; E1585-R1866 IonicContact OE2-NH1 3.25Å; E1585-R1866 PolarHBondContact OE2-NH1 3.19Å; E1585-R1866 IonicContact OE2-NH2 3.44Å; E1585-R1866 PolarHBondContact OE2-NH2 2.91Å; E1846-R1866 IonicContact OE1-NH1 2.93Å; E1846-R1866 PolarHBondContact OE1-NH1 2.71Å; E1846-R1866 IonicContact OE2-CZ 2.69Å; E1846-R1866 IonicContact OE2-NE 2.62Å; E1846-R1866 IonicContact OE2-NH1 2.61Å; E1846-R1866 PolarHBondContact OE2-NH1 3.44Å; N1848-R1866 HydrophobicContact CB-CB 4.16Å; I1849-R1866 WeakPolarHBondContact O-CA 3.39Å; V1850-R1866 HydrophobicContact CG2-CG 4.43Å |
| 1867 | V | 80.4 | Confident | 77.3 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.4 | -179.9 | -89.4 | 0 | 0 | 0 | 0 | 112.2 | N1848 I1849 I1851 | N1848-V1867 CarbonylContact C-O 3.31Å; N1848-V1867 WeakPolarHBondContact CA-O 3.38Å; I1849-V1867 HydrophobicContact CB-CG2 4.47Å; I1849-V1867 PolarHBondContact N-O 3.37Å; I1849-V1867 PolarHBondContact O-N 3.16Å; I1851-V1867 HydrophobicContact CD1-CG2 3.42Å; I1851-V1867 VanDerWaalsContact CD1-CG2 3.42Å; I1851-V1867 HydrophobicContact CG1-CG2 3.9Å |
| 1868 | R | 81.4 | Confident | 78.5 | Confident | 177 Ų | 177 | 62 Ų | 62 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | trans | -67.5 | 144.7 | -178.8 | -66 | 180 | 178.8 | 178.6 | -0.1 | 111.8 | Q1870 | R1868-Q1870 VanDerWaalsContact C-N 3.34Å; R1868-Q1870 PolarHBondContact O-N 2.8Å | ||
| 1869 | P | 84.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -74.4 | 81.1 | -178.8 | 32.3 | -38.3 | 0 | 0 | 0 | 111.9 | Y1842 N1847 I1849 N1893 L1894 F1925 | Y1842-P1869 HydrophobicContact CD2-CB 4.42Å; Y1842-P1869 HydrophobicContact CE2-CB 4.23Å; Y1842-P1869 HydrophobicContact CE2-CG 3.91Å; N1847-P1869 WeakPolarHBondContact O-CD 3.27Å; I1849-P1869 HydrophobicContact CD1-CB 3.94Å; I1849-P1869 HydrophobicContact CG1-CB 3.77Å; P1869-N1893 CarbonylContact O-C 3.59Å; P1869-N1893 PolarHBondContact O-OD1 3.3Å; P1869-L1894 HydrophobicContact CB-CB 4.19Å; P1869-L1894 HydrophobicContact CB-CD1 4.34Å; P1869-L1894 HydrophobicContact CB-CG 4.49Å; P1869-L1894 WeakPolarHBondContact O-CB 3.41Å; P1869-L1894 WeakPolarHBondContact O-CG 3.23Å; P1869-L1894 PolarHBondContact O-N 3.49Å; P1869-F1925 HydrophobicContact CB-CE2 3.93Å; P1869-F1925 HydrophobicContact CB-CZ 3.85Å; P1869-F1925 HydrophobicContact CG-CE2 3.86Å; P1869-F1925 HydrophobicContact CG-CZ 4.22Å | ||
| 1870 | Q | 89.1 | Confident | 80.7 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.1 | -174.8 | -175.2 | 166.6 | -11.5 | 0 | 0 | 111 | L1810 A1811 R1868 E1891 L1892 | L1810-Q1870 CarbonylContact C-O 3.59Å; L1810-Q1870 WeakPolarHBondContact CA-O 3.33Å; A1811-Q1870 HydrophobicContact CB-CB 3.96Å; A1811-Q1870 PolarHBondContact N-O 2.87Å; R1868-Q1870 VanDerWaalsContact C-N 3.34Å; R1868-Q1870 PolarHBondContact O-N 2.8Å; Q1870-E1891 PolarHBondContact NE2-OE2 2.77Å; Q1870-L1892 WeakPolarHBondContact CA-O 3.29Å |
| 1871 | L | 92.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.5 | 173.4 | 175.6 | 70.5 | 0 | 0 | 0 | 109.5 | L1779 L1810 F1838 L1873 E1891 L1892 L1894 M1954 | L1779-L1871 HydrophobicContact CD2-CD1 4.03Å; L1779-L1871 HydrophobicContact CD2-CD2 4.26Å; L1810-L1871 HydrophobicContact CD2-CB 4Å; L1810-L1871 HydrophobicContact CD2-CD1 4.1Å; F1838-L1871 HydrophobicContact CE2-CD1 4.12Å; L1871-L1873 HydrophobicContact CD2-CD1 4.05Å; L1871-L1873 HydrophobicContact CD2-CG 4.38Å; L1871-L1873 HydrophobicContact CG-CD1 4.41Å; L1871-L1873 HydrophobicContact CG-CG 4.23Å; L1871-E1891 CarbonylContact O-C 2.99Å; L1871-E1891 WeakPolarHBondContact O-CA 3.33Å; L1871-L1892 PolarHBondContact N-O 2.73Å; L1871-L1892 PolarHBondContact O-N 3.32Å; L1871-L1894 HydrophobicContact CB-CD2 3.82Å; L1871-L1894 HydrophobicContact CB-CG 4.41Å; L1871-L1894 HydrophobicContact CD2-CD2 4.34Å; L1871-M1954 HydrophobicContact CD2-SD 3.98Å |
| 1872 | V | 93.4 | Very high | 81.6 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.4 | 175.4 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | G1808 W1809 E1891 | G1808-V1872 VanDerWaalsContact CA-O 3.25Å; G1808-V1872 WeakPolarHBondContact CA-O 3.35Å; W1809-V1872 HydrophobicContact CD2-CB 4.18Å; W1809-V1872 HydrophobicContact CD2-CG1 4.49Å; W1809-V1872 HydrophobicContact CH2-CB 4.45Å; W1809-V1872 HydrophobicContact CH2-CG1 3.74Å; W1809-V1872 HydrophobicContact CZ2-CB 3.95Å; W1809-V1872 HydrophobicContact CZ2-CG1 3.51Å; W1809-V1872 HydrophobicContact CZ3-CG1 4.31Å; W1809-V1872 PolarHBondContact N-O 3.39Å; W1809-V1872 PolarHBondContact O-N 2.65Å; V1872-E1891 HydrophobicContact CG1-CG 4.27Å; V1872-E1891 HydrophobicContact CG2-CG 4.23Å |
| 1873 | L | 94.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144 | 177 | -67.9 | 166.1 | 0 | 0 | 0 | 109.5 | L1781 K1807 F1836 L1871 T1889 L1890 F1936 M1952 | L1781-L1873 HydrophobicContact CD2-CD1 4.02Å; L1781-L1873 HydrophobicContact CD2-CD2 3.53Å; L1781-L1873 HydrophobicContact CD2-CG 4.37Å; K1807-L1873 CarbonylContact O-C 3.57Å; K1807-L1873 WeakPolarHBondContact O-CA 3.36Å; F1836-L1873 HydrophobicContact CE2-CD2 4.23Å; L1871-L1873 HydrophobicContact CD2-CD1 4.05Å; L1871-L1873 HydrophobicContact CD2-CG 4.38Å; L1871-L1873 HydrophobicContact CG-CD1 4.41Å; L1871-L1873 HydrophobicContact CG-CG 4.23Å; L1873-T1889 CarbonylContact O-C 3.57Å; L1873-T1889 WeakPolarHBondContact O-CA 3.42Å; L1873-T1889 PolarHBondContact O-OG1 3.3Å; L1873-L1890 HydrophobicContact CB-CB 4.31Å; L1873-L1890 HydrophobicContact CD1-CD2 4.24Å; L1873-L1890 PolarHBondContact N-O 3.44Å; L1873-L1890 PolarHBondContact O-N 3.11Å; L1873-F1936 HydrophobicContact CB-CE1 4.02Å; L1873-F1936 HydrophobicContact CB-CZ 4.41Å; L1873-M1952 HydrophobicContact CD1-CE 3.77Å; L1873-M1952 HydrophobicContact CD1-SD 3.42Å; L1873-M1952 WeakPolarHBondContact CD1-SD 3.21Å |
| 1874 | Q | 93.6 | Very high | 82.7 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.3 | 178.3 | -62 | -179 | -30.6 | 0 | 0 | 111.5 | V1806 K1807 W1809 W1876 F1886 G1888 | V1806-Q1874 CarbonylContact C-O 3.56Å; V1806-Q1874 VanDerWaalsContact CA-O 3.26Å; V1806-Q1874 WeakPolarHBondContact CA-O 3.47Å; V1806-Q1874 WeakPolarHBondContact CG1-O 3.24Å; K1807-Q1874 PolarHBondContact N-O 3.03Å; K1807-Q1874 PolarHBondContact O-N 2.83Å; W1809-Q1874 HydrophobicContact CH2-CG 4.18Å; W1809-Q1874 HydrophobicContact CZ3-CG 4.3Å; Q1874-W1876 VanDerWaalsContact CB-NE1 3.29Å; Q1874-W1876 VanDerWaalsContact OE1-NE1 3.17Å; Q1874-F1886 HydrophobicContact CB-CE2 4.31Å; Q1874-F1886 HydrophobicContact CG-CE2 4.21Å; Q1874-G1888 CarbonylContact C-O 3.49Å; Q1874-G1888 WeakPolarHBondContact CA-O 3.16Å |
| 1875 | V | 92.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.5 | 173.3 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | V1789 I1804 Y1805 V1806 I1887 G1888 F1936 | V1789-V1875 HydrophobicContact CG1-CG2 4.15Å; I1804-V1875 HydrophobicContact CG2-CG2 3.61Å; Y1805-V1875 WeakPolarHBondContact O-CA 3.48Å; V1806-V1875 HydrophobicContact CG2-CB 4.45Å; V1875-I1887 HydrophobicContact CG1-CB 4.04Å; V1875-I1887 HydrophobicContact CG1-CG2 4.15Å; V1875-I1887 HydrophobicContact CG2-CD1 4.48Å; V1875-I1887 PolarHBondContact O-N 3.38Å; V1875-G1888 PolarHBondContact N-O 2.74Å; V1875-G1888 PolarHBondContact O-N 2.71Å; V1875-F1936 HydrophobicContact CB-CD2 3.86Å; V1875-F1936 HydrophobicContact CB-CE1 4.41Å; V1875-F1936 HydrophobicContact CB-CE2 3.61Å; V1875-F1936 HydrophobicContact CB-CG 4.34Å; V1875-F1936 HydrophobicContact CB-CZ 3.92Å; V1875-F1936 HydrophobicContact CG1-CB 3.97Å; V1875-F1936 HydrophobicContact CG1-CD1 3.98Å; V1875-F1936 HydrophobicContact CG1-CD2 3.4Å; V1875-F1936 VanDerWaalsContact CG1-CD2 3.4Å; V1875-F1936 HydrophobicContact CG1-CE1 4.28Å; V1875-F1936 HydrophobicContact CG1-CE2 3.72Å; V1875-F1936 HydrophobicContact CG1-CG 3.53Å; V1875-F1936 HydrophobicContact CG1-CZ 4.16Å; V1875-F1936 HydrophobicContact CG2-CE2 4.44Å |
| 1876 | W | 91.4 | Very high | 83.8 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.3 | -170.2 | -67.4 | 77 | 0 | 0 | 0 | 110.4 | I1804 Y1805 K1807 Q1874 D1884 D1885 F1886 | I1804-W1876 WeakPolarHBondContact CA-O 3.08Å; Y1805-W1876 HydrophobicContact CD1-CB 3.91Å; Y1805-W1876 HydrophobicContact CE1-CB 3.49Å; Y1805-W1876 VanDerWaalsContact CE1-CB 3.49Å; Y1805-W1876 HydrophobicContact CE1-CG 4.4Å; Y1805-W1876 HydrophobicContact CE2-CB 4.32Å; Y1805-W1876 PolarHBondContact N-O 3.5Å; Y1805-W1876 PolarHBondContact O-N 3.4Å; K1807-W1876 HydrophobicContact CD-CD2 4.5Å; K1807-W1876 HydrophobicContact CD-CG 4.42Å; K1807-W1876 HydrophobicContact CD-CZ2 4.5Å; Q1874-W1876 VanDerWaalsContact CB-NE1 3.29Å; Q1874-W1876 VanDerWaalsContact OE1-NE1 3.17Å; W1876-D1884 HydrophobicContact CE3-CB 3.94Å; W1876-D1884 VanDerWaalsContact CE3-O 3.25Å; W1876-D1884 WeakPolarHBondContact CZ3-O 3.29Å; W1876-D1885 CarbonylContact C-O 3.59Å; W1876-D1885 VanDerWaalsContact CA-O 3.28Å; W1876-D1885 WeakPolarHBondContact CA-O 3.3Å; W1876-F1886 HydrophobicContact CD2-CB 4.39Å; W1876-F1886 HydrophobicContact CD2-CD2 4.42Å; W1876-F1886 AromaticContact CE2-CD2 3.88Å; W1876-F1886 HydrophobicContact CE3-CB 4.06Å; W1876-F1886 HydrophobicContact CH2-CB 3.95Å; W1876-F1886 HydrophobicContact CH2-CD2 4.37Å; W1876-F1886 HydrophobicContact CZ2-CB 4.29Å; W1876-F1886 AromaticContact CZ2-CD2 3.88Å; W1876-F1886 HydrophobicContact CZ2-CD2 3.88Å; W1876-F1886 HydrophobicContact CZ3-CB 3.83Å |
| 1877 | D | 88.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | trans | -83.5 | 152.3 | 162.8 | -145.6 | -27.4 | 0 | 0 | 0 | 109.4 | S1802 D1803 D1884 D1885 I1887 | S1802-D1877 WeakPolarHBondContact CA-OD2 3.24Å; S1802-D1877 WeakPolarHBondContact CB-OD2 3.47Å; S1802-D1877 PolarHBondContact OG-OD2 2.79Å; D1803-D1877 WeakPolarHBondContact CA-OD1 3.33Å; D1803-D1877 PolarHBondContact N-OD1 3.36Å; D1877-D1884 WeakPolarHBondContact O-CA 3.17Å; D1877-D1884 WeakPolarHBondContact O-CB 3.11Å; D1877-D1885 HydrophobicContact CB-CB 4.17Å; D1877-D1885 PolarHBondContact N-O 2.9Å; D1877-I1887 HydrophobicContact CB-CD1 4.04Å; D1877-I1887 HydrophobicContact CB-CG1 4.48Å | ||
| 1878 | N | 82.5 | Confident | 84.5 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | trans | -112.6 | 87.7 | 179.6 | 178.2 | -135.3 | 0 | 0 | 0 | 112.2 | D1803 Y1805 V1821 Y1823 D1884 | D1803-N1878 HydrophobicContact CB-CB 4.02Å; D1803-N1878 VanDerWaalsContact O-CB 3.29Å; D1803-N1878 WeakPolarHBondContact O-CB 3.43Å; D1803-N1878 PolarHBondContact O-N 3.2Å; Y1805-N1878 HydrophobicContact CD1-CB 3.95Å; Y1805-N1878 HydrophobicContact CE1-CB 4.1Å; V1821-N1878 HydrophobicContact CG1-CB 3.74Å; V1821-N1878 HydrophobicContact CG2-CB 3.99Å; Y1823-N1878 PolarHBondContact OH-OD1 2.86Å; N1878-D1884 WeakPolarHBondContact CA-OD1 3.48Å; N1878-D1884 PolarHBondContact ND2-OD1 3.42Å | ||
| 1879 | D | 81.1 | Confident | 85.1 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | trans | -66.6 | 128.4 | 173 | -77.5 | -99.1 | 0 | 0 | 0 | 112.9 | S1882 D1884 D1885 | D1879-S1882 VanDerWaalsContact CB-CB 3.49Å; D1879-S1882 WeakPolarHBondContact CB-O 3.46Å; D1879-S1882 VanDerWaalsContact OD1-CB 3.27Å; D1879-S1882 WeakPolarHBondContact OD1-CB 3.36Å; D1879-S1882 PolarHBondContact OD1-OG 2.83Å; D1879-D1884 PolarHBondContact N-OD1 2.89Å; D1879-D1885 PolarHBondContact OD2-N 2.92Å | ||
| 1880 | L | 68.1 | Low | 85.5 | Confident | 86 Ų | 86 | 42.6 Ų | 42.6 | 45% | 0.45 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -77.1 | -23.2 | 178.9 | -167.5 | 63.5 | 0 | 0 | 0 | 113.3 | L1991 | L1880-L1991 HydrophobicContact CD1-CD2 4Å; L1880-L1991 HydrophobicContact CD2-CD2 4.06Å |
| 1881 | F | 71 | Confident | 85.5 | Confident | 193 Ų | 193 | 44.5 Ų | 44.5 | 85% | 0.846 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -134.5 | -2.8 | -174.6 | -59 | -67.7 | 0 | 0 | 0 | 114.2 | ||
| 1882 | S | 71.5 | Confident | 85.4 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 44% | 0.441 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -112.7 | 168.3 | 175.2 | -18.3 | 0 | 0 | 0 | 0 | 109.1 | D1879 | D1879-S1882 VanDerWaalsContact CB-CB 3.49Å; D1879-S1882 WeakPolarHBondContact CB-O 3.46Å; D1879-S1882 VanDerWaalsContact OD1-CB 3.27Å; D1879-S1882 WeakPolarHBondContact OD1-CB 3.36Å; D1879-S1882 PolarHBondContact OD1-OG 2.83Å |
| 1883 | P | 76.4 | Confident | 85.1 | Confident | 115 Ų | 115 | 46.1 Ų | 46.1 | 75% | 0.747 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -60.7 | 137.5 | 157.2 | -14.6 | 30.4 | 0 | 0 | 0 | 109.6 | D1885 | P1883-D1885 PolarHBondContact O-N 2.79Š|
| 1884 | D | 79.9 | Confident | 84.6 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -49.9 | 125.6 | 173.2 | -66.4 | -27.1 | 0 | 0 | 0 | 111.7 | Y1805 W1876 D1877 N1878 D1879 | Y1805-D1884 HydrophobicContact CE1-CB 4.28Å; Y1805-D1884 PolarHBondContact OH-OD2 3.15Å; W1876-D1884 HydrophobicContact CE3-CB 3.94Å; W1876-D1884 VanDerWaalsContact CE3-O 3.25Å; W1876-D1884 WeakPolarHBondContact CZ3-O 3.29Å; D1877-D1884 WeakPolarHBondContact O-CA 3.17Å; D1877-D1884 WeakPolarHBondContact O-CB 3.11Å; N1878-D1884 WeakPolarHBondContact CA-OD1 3.48Å; N1878-D1884 PolarHBondContact ND2-OD1 3.42Å; D1879-D1884 PolarHBondContact N-OD1 2.89Å |
| 1885 | D | 84.2 | Confident | 83.9 | Confident | 88 Ų | 88 | 44.7 Ų | 44.7 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -73.6 | 138.6 | 177 | -83.7 | -24.1 | 0 | 0 | 0 | 112.9 | W1876 D1877 D1879 P1883 | W1876-D1885 CarbonylContact C-O 3.59Å; W1876-D1885 VanDerWaalsContact CA-O 3.28Å; W1876-D1885 WeakPolarHBondContact CA-O 3.3Å; D1877-D1885 HydrophobicContact CB-CB 4.17Å; D1877-D1885 PolarHBondContact N-O 2.9Å; D1879-D1885 PolarHBondContact OD2-N 2.92Å; P1883-D1885 PolarHBondContact O-N 2.79Å |
| 1886 | F | 86.8 | Confident | 83.4 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 23% | 0.228 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120 | 177.7 | 168.7 | -104.6 | 0 | 0 | 0 | 111 | Q1874 W1876 G1888 T1889 N1938 | Q1874-F1886 HydrophobicContact CB-CE2 4.31Å; Q1874-F1886 HydrophobicContact CG-CE2 4.21Å; W1876-F1886 HydrophobicContact CD2-CB 4.39Å; W1876-F1886 HydrophobicContact CD2-CD2 4.42Å; W1876-F1886 AromaticContact CE2-CD2 3.88Å; W1876-F1886 HydrophobicContact CE3-CB 4.06Å; W1876-F1886 HydrophobicContact CH2-CB 3.95Å; W1876-F1886 HydrophobicContact CH2-CD2 4.37Å; W1876-F1886 HydrophobicContact CZ2-CB 4.29Å; W1876-F1886 AromaticContact CZ2-CD2 3.88Å; W1876-F1886 HydrophobicContact CZ2-CD2 3.88Å; W1876-F1886 HydrophobicContact CZ3-CB 3.83Å; F1886-G1888 VanDerWaalsContact CE2-O 3.29Å; F1886-G1888 WeakPolarHBondContact CE2-O 3.27Å; F1886-G1888 VanDerWaalsContact CZ-CA 3.44Å; F1886-T1889 HydrophobicContact CZ-CG2 4.39Å; F1886-N1938 HydrophobicContact CE1-CB 4.41Å |
| 1887 | I | 83.9 | Confident | 83.1 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -37.6 | -178.3 | -57.7 | 171.6 | 0 | 0 | 0 | 111.5 | V1789 V1790 V1875 D1877 T1947 | V1789-I1887 HydrophobicContact CG1-CD1 3.83Å; V1789-I1887 HydrophobicContact CG1-CG2 3.92Å; V1790-I1887 HydrophobicContact CB-CG2 4.31Å; V1875-I1887 HydrophobicContact CG1-CB 4.04Å; V1875-I1887 HydrophobicContact CG1-CG2 4.15Å; V1875-I1887 HydrophobicContact CG2-CD1 4.48Å; V1875-I1887 PolarHBondContact O-N 3.38Å; D1877-I1887 HydrophobicContact CB-CD1 4.04Å; D1877-I1887 HydrophobicContact CB-CG1 4.48Å; I1887-T1947 WeakPolarHBondContact O-CB 3.46Å; I1887-T1947 VanDerWaalsContact O-CG2 3.32Å; I1887-T1947 WeakPolarHBondContact O-CG2 3.47Å; I1887-T1947 PolarHBondContact O-OG1 3.46Å |
| 1888 | G | 88.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | 165.7 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | Q1874 V1875 F1886 V1937 | Q1874-G1888 CarbonylContact C-O 3.49Å; Q1874-G1888 WeakPolarHBondContact CA-O 3.16Å; V1875-G1888 PolarHBondContact N-O 2.74Å; V1875-G1888 PolarHBondContact O-N 2.71Å; F1886-G1888 VanDerWaalsContact CE2-O 3.29Å; F1886-G1888 WeakPolarHBondContact CE2-O 3.27Å; F1886-G1888 VanDerWaalsContact CZ-CA 3.44Å; G1888-V1937 CarbonylContact C-O 3.55Å; G1888-V1937 WeakPolarHBondContact CA-O 3.43Å |
| 1889 | T | 93.3 | Very high | 82.9 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 23% | 0.233 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 158.7 | -177.7 | -164.6 | 0 | 0 | 0 | 0 | 112.2 | L1873 F1886 V1937 | L1873-T1889 CarbonylContact O-C 3.57Å; L1873-T1889 WeakPolarHBondContact O-CA 3.42Å; L1873-T1889 PolarHBondContact O-OG1 3.3Å; F1886-T1889 HydrophobicContact CZ-CG2 4.39Å; T1889-V1937 PolarHBondContact N-O 3.44Å; T1889-V1937 PolarHBondContact O-N 2.89Å |
| 1890 | L | 92.7 | Very high | 83.2 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 119.1 | 177.8 | 167.7 | 60.1 | 0 | 0 | 0 | 108.5 | L1873 L1892 L1912 W1934 F1936 I1950 M1952 | L1873-L1890 HydrophobicContact CB-CB 4.31Å; L1873-L1890 HydrophobicContact CD1-CD2 4.24Å; L1873-L1890 PolarHBondContact N-O 3.44Å; L1873-L1890 PolarHBondContact O-N 3.11Å; L1890-L1892 HydrophobicContact CD1-CD1 4.22Å; L1890-L1892 HydrophobicContact CD1-CD2 3.88Å; L1890-L1892 HydrophobicContact CD1-CG 3.87Å; L1890-L1892 HydrophobicContact CD2-CD1 4.1Å; L1890-L1892 HydrophobicContact CG-CD1 4.08Å; L1890-L1892 HydrophobicContact CG-CG 4.07Å; L1890-L1912 HydrophobicContact CD1-CD1 4.47Å; L1890-L1912 HydrophobicContact CD1-CD2 4.04Å; L1890-W1934 HydrophobicContact CD1-CB 4.39Å; L1890-W1934 HydrophobicContact CD2-CB 3.59Å; L1890-W1934 HydrophobicContact CD2-CG 4.36Å; L1890-F1936 HydrophobicContact CB-CD1 3.63Å; L1890-F1936 HydrophobicContact CB-CE1 3.76Å; L1890-I1950 HydrophobicContact CD2-CG2 3.76Å; L1890-M1952 HydrophobicContact CD2-CE 4.2Å |
| 1891 | E | 90.2 | Very high | 84.1 | Confident | 103 Ų | 103 | 44.2 Ų | 44.2 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130 | 178.4 | -59.4 | -167.6 | -172 | 0 | 0 | 110.9 | Q1870 L1871 V1872 | Q1870-E1891 PolarHBondContact NE2-OE2 2.77Å; L1871-E1891 CarbonylContact O-C 2.99Å; L1871-E1891 WeakPolarHBondContact O-CA 3.33Å; V1872-E1891 HydrophobicContact CG1-CG 4.27Å; V1872-E1891 HydrophobicContact CG2-CG 4.23Å |
| 1892 | L | 89.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 112 | -173 | -65.4 | 171.2 | 0 | 0 | 0 | 110.2 | Q1870 L1871 L1890 L1894 M1897 P1898 W1934 M1952 | Q1870-L1892 WeakPolarHBondContact CA-O 3.29Å; L1871-L1892 PolarHBondContact N-O 2.73Å; L1871-L1892 PolarHBondContact O-N 3.32Å; L1890-L1892 HydrophobicContact CD1-CD1 4.22Å; L1890-L1892 HydrophobicContact CD1-CD2 3.88Å; L1890-L1892 HydrophobicContact CD1-CG 3.87Å; L1890-L1892 HydrophobicContact CD2-CD1 4.1Å; L1890-L1892 HydrophobicContact CG-CD1 4.08Å; L1890-L1892 HydrophobicContact CG-CG 4.07Å; L1892-L1894 PolarHBondContact O-N 3.11Å; L1892-M1897 HydrophobicContact CB-CB 4.44Å; L1892-M1897 HydrophobicContact CB-CE 4.18Å; L1892-M1897 HydrophobicContact CD1-CE 3.8Å; L1892-M1897 HydrophobicContact CD2-CB 4.24Å; L1892-M1897 HydrophobicContact CD2-CE 4.21Å; L1892-M1897 HydrophobicContact CG-CE 4.29Å; L1892-P1898 HydrophobicContact CD2-CG 4.17Å; L1892-W1934 HydrophobicContact CD1-CG 4.47Å; L1892-M1952 HydrophobicContact CD1-CE 3.53Å |
| 1893 | N | 86.5 | Confident | 85.4 | Confident | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 107.7 | 166.8 | -179.6 | -1.3 | 0 | 0 | 0 | 109.1 | P1869 S1895 N1896 M1897 | P1869-N1893 CarbonylContact O-C 3.59Å; P1869-N1893 PolarHBondContact O-OD1 3.3Å; N1893-S1895 PolarHBondContact O-N 3.32Å; N1893-S1895 PolarHBondContact OD1-N 2.91Å; N1893-S1895 PolarHBondContact OD1-OG 3.03Å; N1893-N1896 CarbonylContact O-C 3.53Å; N1893-N1896 PolarHBondContact O-N 2.93Å; N1893-M1897 VanDerWaalsContact O-CB 3.25Å; N1893-M1897 WeakPolarHBondContact O-CB 3.45Å; N1893-M1897 PolarHBondContact O-N 2.87Å; N1893-M1897 VanDerWaalsContact O-N 3.16Å |
| 1894 | L | 84.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.1 | -174.2 | -59.6 | -178 | 0 | 0 | 0 | 113.3 | L1779 L1810 F1840 P1869 L1871 L1892 M1897 L1924 F1925 M1954 | L1779-L1894 HydrophobicContact CD2-CD1 4.02Å; L1779-L1894 HydrophobicContact CD2-CD2 4.29Å; L1810-L1894 HydrophobicContact CD2-CD1 3.89Å; F1840-L1894 HydrophobicContact CZ-CD1 4.44Å; P1869-L1894 HydrophobicContact CB-CB 4.19Å; P1869-L1894 HydrophobicContact CB-CD1 4.34Å; P1869-L1894 HydrophobicContact CB-CG 4.49Å; P1869-L1894 WeakPolarHBondContact O-CB 3.41Å; P1869-L1894 WeakPolarHBondContact O-CG 3.23Å; P1869-L1894 PolarHBondContact O-N 3.49Å; L1871-L1894 HydrophobicContact CB-CD2 3.82Å; L1871-L1894 HydrophobicContact CB-CG 4.41Å; L1871-L1894 HydrophobicContact CD2-CD2 4.34Å; L1892-L1894 PolarHBondContact O-N 3.11Å; L1894-M1897 HydrophobicContact CD2-SD 4.44Å; L1894-L1924 HydrophobicContact CB-CB 4.41Å; L1894-L1924 HydrophobicContact CD2-CD2 3.93Å; L1894-L1924 VanDerWaalsContact O-CB 3.28Å; L1894-L1924 WeakPolarHBondContact O-CB 3.34Å; L1894-L1924 PolarHBondContact O-N 2.95Å; L1894-F1925 HydrophobicContact CB-CE2 3.78Å; L1894-F1925 HydrophobicContact CB-CZ 4.29Å; L1894-F1925 HydrophobicContact CD1-CZ 4.43Å; L1894-M1954 HydrophobicContact CD2-SD 4.48Å |
| 1895 | S | 78.9 | Confident | 85.7 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -16.2 | 176.7 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | N1847 N1893 N1923 | N1847-S1895 VanDerWaalsContact CG-OG 3.27Å; N1847-S1895 WeakPolarHBondContact ND2-CB 3.27Å; N1847-S1895 PolarHBondContact ND2-OG 2.99Å; N1847-S1895 WeakPolarHBondContact OD1-CB 3.45Å; N1847-S1895 PolarHBondContact OD1-OG 2.85Å; N1893-S1895 PolarHBondContact O-N 3.32Å; N1893-S1895 PolarHBondContact OD1-N 2.91Å; N1893-S1895 PolarHBondContact OD1-OG 3.03Å; S1895-N1923 WeakPolarHBondContact O-CA 3.44Å; S1895-N1923 WeakPolarHBondContact O-CB 3.28Å; S1895-N1923 VanDerWaalsContact O-CG 3.29Å |
| 1896 | N | 81.5 | Confident | 85.7 | Confident | 88 Ų | 88 | 45 Ų | 45 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -154.2 | 71.7 | -176 | -163.3 | 25.4 | 0 | 0 | 0 | 111.2 | N1893 L1921 | N1893-N1896 CarbonylContact O-C 3.53Å; N1893-N1896 PolarHBondContact O-N 2.93Å; N1896-L1921 VanDerWaalsContact OD1-CB 3.25Å; N1896-L1921 WeakPolarHBondContact OD1-CB 3.36Å; N1896-L1921 VanDerWaalsContact OD1-CD1 3.24Å; N1896-L1921 WeakPolarHBondContact OD1-CD1 3.35Å |
| 1897 | M | 84.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 149.8 | -174.2 | 50.2 | -174.7 | -57.8 | 0 | 0 | 112.5 | L1892 N1893 L1894 S1899 L1921 V1922 L1924 L1930 W1934 M1954 | L1892-M1897 HydrophobicContact CB-CB 4.44Å; L1892-M1897 HydrophobicContact CB-CE 4.18Å; L1892-M1897 HydrophobicContact CD1-CE 3.8Å; L1892-M1897 HydrophobicContact CD2-CB 4.24Å; L1892-M1897 HydrophobicContact CD2-CE 4.21Å; L1892-M1897 HydrophobicContact CG-CE 4.29Å; N1893-M1897 VanDerWaalsContact O-CB 3.25Å; N1893-M1897 WeakPolarHBondContact O-CB 3.45Å; N1893-M1897 PolarHBondContact O-N 2.87Å; N1893-M1897 VanDerWaalsContact O-N 3.16Å; L1894-M1897 HydrophobicContact CD2-SD 4.44Å; M1897-S1899 PolarHBondContact O-N 3.46Å; M1897-L1921 CarbonylContact O-C 3.41Å; M1897-L1921 WeakPolarHBondContact O-CA 3.34Å; M1897-V1922 VanDerWaalsContact CG-O 3.24Å; M1897-V1922 WeakPolarHBondContact CG-O 3.48Å; M1897-V1922 PolarHBondContact N-O 2.8Å; M1897-V1922 PolarHBondContact O-N 3.2Å; M1897-L1924 HydrophobicContact SD-CB 4.32Å; M1897-L1930 HydrophobicContact SD-CD1 4.34Å; M1897-W1934 HydrophobicContact CE-CZ2 3.74Å; M1897-M1954 HydrophobicContact CE-CE 3.43Å; M1897-M1954 VanDerWaalsContact CE-CE 3.43Å; M1897-M1954 HydrophobicContact CE-SD 4.01Å; M1897-M1954 HydrophobicContact SD-CE 4.43Å |
| 1898 | P | 83.4 | Confident | 85.7 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 10% | 0.104 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 135.5 | 175.4 | 25.5 | -33.9 | 0 | 0 | 0 | 111.8 | L1892 M1911 L1912 W1934 | L1892-P1898 HydrophobicContact CD2-CG 4.17Å; P1898-M1911 WeakPolarHBondContact CB-O 3.21Å; P1898-L1912 HydrophobicContact CG-CD2 4.19Å; P1898-W1934 PolarHBondContact O-NE1 3.24Å; P1898-W1934 VanDerWaalsContact O-NE1 3.09Å |
| 1899 | S | 83.2 | Confident | 85.3 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 135.2 | 179.3 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | M1897 M1911 K1920 | M1897-S1899 PolarHBondContact O-N 3.46Å; S1899-M1911 WeakPolarHBondContact O-CE 3.36Å; S1899-K1920 WeakPolarHBondContact CB-O 3.37Å; S1899-K1920 PolarHBondContact N-O 3.09Å; S1899-K1920 PolarHBondContact OG-O 2.62Å |
| 1900 | P | 87.9 | Confident | 84.6 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 8% | 0.078 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -60 | 142 | 178.7 | 15.6 | -24.3 | 0 | 0 | 0 | 112.2 | L1930 N1931 W1934 | P1900-L1930 HydrophobicContact CG-CD2 4.13Å; P1900-N1931 WeakPolarHBondContact CG-O 3.44Å; P1900-W1934 HydrophobicContact CB-CD2 4.13Å; P1900-W1934 HydrophobicContact CB-CE3 4.11Å; P1900-W1934 HydrophobicContact CB-CH2 3.44Å; P1900-W1934 VanDerWaalsContact CB-CH2 3.44Å; P1900-W1934 HydrophobicContact CB-CZ2 3.41Å; P1900-W1934 VanDerWaalsContact CB-CZ2 3.41Å; P1900-W1934 HydrophobicContact CB-CZ3 3.78Å; P1900-W1934 HydrophobicContact CG-CH2 3.59Å; P1900-W1934 HydrophobicContact CG-CZ2 3.53Å; P1900-W1934 HydrophobicContact CG-CZ3 4.39Å |
| 1901 | S | 87.1 | Confident | 83.9 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 136.6 | 165.6 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | T1903 K1906 C1907 G1932 F1933 | S1901-T1903 VanDerWaalsContact C-N 3.3Å; S1901-T1903 PolarHBondContact OG-N 3.43Å; S1901-T1903 PolarHBondContact OG-O 3.03Å; S1901-K1906 VanDerWaalsContact OG-CB 3.31Å; S1901-K1906 WeakPolarHBondContact OG-CB 3.5Å; S1901-C1907 PolarHBondContact OG-N 3.05Å; S1901-G1932 WeakPolarHBondContact O-CA 3.47Å; S1901-F1933 PolarHBondContact N-O 2.67Å; S1901-F1933 WeakPolarHBondContact O-CD2 3.39Å; S1901-F1933 PolarHBondContact O-N 2.71Å |
| 1902 | K | 85.3 | Confident | 83.2 | Confident | 135 Ų | 135 | 48.3 Ų | 48.3 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -80.5 | -8.1 | 174.7 | -65.4 | -58 | -176.2 | -169.4 | 0 | 114 | N1931 | K1902-N1931 PolarHBondContact NZ-O 2.94Å; K1902-N1931 PolarHBondContact NZ-OD1 3.28Å |
| 1903 | T | 84.6 | Confident | 81.8 | Confident | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.454 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -143.3 | 142.6 | 175.4 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | S1901 G1905 K1906 C1907 | S1901-T1903 VanDerWaalsContact C-N 3.3Å; S1901-T1903 PolarHBondContact OG-N 3.43Å; S1901-T1903 PolarHBondContact OG-O 3.03Å; T1903-G1905 PolarHBondContact O-N 3.29Å; T1903-G1905 VanDerWaalsContact O-N 3.1Å; T1903-K1906 PolarHBondContact O-N 3.4Å; T1903-C1907 PolarHBondContact O-N 3.43Å |
| 1904 | R | 83.2 | Confident | 80.1 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -48.1 | -37.7 | 175.9 | 175.1 | -177.5 | 170.7 | 176.8 | 5.5 | 113.9 | F1787 D1788 E1829 K1906 C1907 F1933 K1949 | F1787-R1904 HydrophobicContact CB-CG 4.29Å; D1788-R1904 IonicContact OD1-CZ 2.76Å; D1788-R1904 IonicContact OD1-NE 3.04Å; D1788-R1904 PolarHBondContact OD1-NE 2.57Å; D1788-R1904 IonicContact OD1-NH2 3.31Å; D1788-R1904 PolarHBondContact OD1-NH2 3.37Å; D1788-R1904 IonicContact OD2-CZ 3.25Å; D1788-R1904 IonicContact OD2-NE 2.81Å; D1788-R1904 PolarHBondContact OD2-NE 3.3Å; D1788-R1904 IonicContact OD2-NH2 2.71Å; E1829-R1904 IonicContact OE1-CZ 2.68Å; E1829-R1904 IonicContact OE1-NH1 2.75Å; E1829-R1904 PolarHBondContact OE1-NH1 3.49Å; E1829-R1904 IonicContact OE1-NH2 3.86Å; R1904-K1906 VanDerWaalsContact C-N 3.33Å; R1904-K1906 PolarHBondContact O-N 3.35Å; R1904-C1907 PolarHBondContact O-N 2.74Å; R1904-F1933 HydrophobicContact CB-CD1 4.22Å; R1904-F1933 HydrophobicContact CB-CE1 3.99Å; R1904-F1933 HydrophobicContact CB-CZ 4.31Å; R1904-K1949 HydrophobicContact CG-CD 4.07Å; R1904-K1949 PolarHBondContact O-NZ 3.5Å; R1904-K1949 VanDerWaalsContact O-NZ 3.13Å |
| 1905 | G | 79.4 | Confident | 78.2 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 77% | 0.773 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -71.2 | -19.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1903 | T1903-G1905 PolarHBondContact O-N 3.29Å; T1903-G1905 VanDerWaalsContact O-N 3.1Å |
| 1906 | K | 83.7 | Confident | 76.6 | Confident | 163 Ų | 163 | 64.6 Ų | 64.6 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -98.3 | -5.4 | 174.6 | -72.4 | -173.1 | 177.2 | -170.2 | 0 | 113.5 | S1901 T1903 R1904 S1908 | S1901-K1906 VanDerWaalsContact OG-CB 3.31Å; S1901-K1906 WeakPolarHBondContact OG-CB 3.5Å; T1903-K1906 PolarHBondContact O-N 3.4Å; R1904-K1906 VanDerWaalsContact C-N 3.33Å; R1904-K1906 PolarHBondContact O-N 3.35Å; K1906-S1908 PolarHBondContact O-N 2.95Å |
| 1907 | C | 86.8 | Confident | 74.9 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.02 | 39% | 0.393 | C | S | . | . | trans | -78.8 | 114.2 | 176.6 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | S1901 T1903 R1904 M1911 F1933 P1935 K1949 | S1901-C1907 PolarHBondContact OG-N 3.05Å; T1903-C1907 PolarHBondContact O-N 3.43Å; R1904-C1907 PolarHBondContact O-N 2.74Å; C1907-M1911 HydrophobicContact CB-SD 4.41Å; C1907-F1933 HydrophobicContact CB-CB 3.85Å; C1907-P1935 VanDerWaalsContact SG-N 3.4Å; C1907-K1949 HydrophobicContact CB-CD 4Å; C1907-K1949 HydrophobicContact CB-CG 4.36Å; C1907-K1949 VanDerWaalsContact O-CE 3.26Å; C1907-K1949 WeakPolarHBondContact O-CE 3.35Å | ||
| 1908 | S | 83.3 | Confident | 73.4 | Confident | 46 Ų | 46 | 77 Ų | 77 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | trans | -147.5 | 163 | -176.4 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | K1906 N1910 M1911 | K1906-S1908 PolarHBondContact O-N 2.95Å; S1908-N1910 PolarHBondContact O-N 2.94Å; S1908-M1911 WeakPolarHBondContact O-CB 3.29Å; S1908-M1911 VanDerWaalsContact O-CG 3.3Å; S1908-M1911 WeakPolarHBondContact O-CG 3.32Å; S1908-M1911 PolarHBondContact O-N 2.86Å | ||
| 1909 | L | 81.4 | Confident | 72.3 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 11% | 0.105 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -62.9 | -25.9 | -173.6 | -152.4 | 140.6 | 0 | 0 | 0 | 113.2 | M1911 L1912 Q1913 V1937 P1944 L1946 | L1909-M1911 PolarHBondContact O-N 2.93Å; L1909-L1912 PolarHBondContact O-N 2.86Å; L1909-Q1913 HydrophobicContact CD2-CB 4.25Å; L1909-Q1913 VanDerWaalsContact CD2-CD 3.41Å; L1909-Q1913 HydrophobicContact CD2-CG 3.84Å; L1909-Q1913 PolarHBondContact O-N 2.74Å; L1909-V1937 HydrophobicContact CD1-CG1 4.23Å; L1909-V1937 HydrophobicContact CD1-CG2 3.75Å; L1909-V1937 HydrophobicContact CG-CG2 3.94Å; L1909-P1944 HydrophobicContact CD1-CB 4.24Å; L1909-P1944 WeakPolarHBondContact CD1-O 3.44Å; L1909-P1944 HydrophobicContact CD2-CB 3.98Å; L1909-P1944 HydrophobicContact CD2-CG 4.08Å; L1909-L1946 HydrophobicContact CD1-CB 4.04Å |
| 1910 | N | 78.5 | Confident | 71.6 | Confident | 115 Ų | 115 | 83.9 Ų | 83.9 | 62% | 0.615 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -52.9 | -22.9 | 171.3 | -62.4 | 19.3 | 0 | 0 | 0 | 113.8 | S1908 L1912 | S1908-N1910 PolarHBondContact O-N 2.94Å; N1910-L1912 PolarHBondContact O-N 2.99Å |
| 1911 | M | 78.6 | Confident | 71.1 | Confident | 23 Ų | 23 | 87.4 Ų | 87.4 | 11% | 0.113 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -65.1 | -26 | 175.3 | -67.1 | 176.6 | 61.6 | 0 | 0 | 113.4 | P1898 S1899 C1907 S1908 L1909 P1935 | P1898-M1911 WeakPolarHBondContact CB-O 3.21Å; S1899-M1911 WeakPolarHBondContact O-CE 3.36Å; C1907-M1911 HydrophobicContact CB-SD 4.41Å; S1908-M1911 WeakPolarHBondContact O-CB 3.29Å; S1908-M1911 VanDerWaalsContact O-CG 3.3Å; S1908-M1911 WeakPolarHBondContact O-CG 3.32Å; S1908-M1911 PolarHBondContact O-N 2.86Å; L1909-M1911 PolarHBondContact O-N 2.93Å; M1911-P1935 HydrophobicContact CB-CG 4.43Å |
| 1912 | L | 75.1 | Confident | 70.8 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -31.1 | 178.2 | -62.3 | 172 | 0 | 0 | 0 | 111.7 | L1890 P1898 L1909 N1910 S1914 P1935 V1937 | L1890-L1912 HydrophobicContact CD1-CD1 4.47Å; L1890-L1912 HydrophobicContact CD1-CD2 4.04Å; P1898-L1912 HydrophobicContact CG-CD2 4.19Å; L1909-L1912 PolarHBondContact O-N 2.86Å; N1910-L1912 PolarHBondContact O-N 2.99Å; L1912-S1914 PolarHBondContact O-N 3.08Å; L1912-P1935 HydrophobicContact CD1-CG 3.81Å; L1912-P1935 HydrophobicContact CG-CG 3.97Å; L1912-V1937 HydrophobicContact CD1-CG2 3.49Å; L1912-V1937 VanDerWaalsContact CD1-CG2 3.49Å |
| 1913 | Q | 60.4 | Low | 70.5 | Confident | 120 Ų | 120 | 83.6 Ų | 83.6 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -84.7 | 11.3 | -157.6 | -126.2 | -176.9 | 1 | 0 | 0 | 117.2 | L1909 | L1909-Q1913 HydrophobicContact CD2-CB 4.25Å; L1909-Q1913 VanDerWaalsContact CD2-CD 3.41Å; L1909-Q1913 HydrophobicContact CD2-CG 3.84Å; L1909-Q1913 PolarHBondContact O-N 2.74Å |
| 1914 | S | 49.8 | Very low | 70.5 | Confident | 49 Ų | 49 | 80 Ų | 80 | 34% | 0.343 | 44% | 0.443 | S | S | . | . | trans | -144 | 100 | 176.4 | 67.1 | 0 | 0 | 0 | 0 | 115.2 | L1912 G1916 T1919 | L1912-S1914 PolarHBondContact O-N 3.08Å; S1914-G1916 PolarHBondContact O-N 3.09Å; S1914-G1916 VanDerWaalsContact O-N 3.11Å; S1914-T1919 PolarHBondContact O-OG1 3.13Å; S1914-T1919 VanDerWaalsContact O-OG1 3.14Å; S1914-T1919 PolarHBondContact OG-OG1 3.36Å | ||
| 1915 | V | 44.9 | Very low | 70.3 | Confident | 169 Ų | 169 | 78 Ų | 78 | 100% | 1.024 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -73 | 80.7 | 144.1 | -177.8 | 0 | 0 | 0 | 0 | 105.8 | ||
| 1916 | G | 46.3 | Very low | 70.2 | Confident | 56 Ų | 56 | 82.1 Ų | 82.1 | 58% | 0.577 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -160 | -83.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1914 | S1914-G1916 PolarHBondContact O-N 3.09Å; S1914-G1916 VanDerWaalsContact O-N 3.11Å |
| 1917 | N | 45.9 | Very low | 69.8 | Low | 159 Ų | 159 | 76.9 Ų | 76.9 | 85% | 0.85 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -142.7 | -26.6 | -162.7 | -93.3 | -44 | 0 | 0 | 0 | 120.3 | ||
| 1918 | E | 53.6 | Low | 69.5 | Low | 190 Ų | 190 | 81.7 Ų | 81.7 | 89% | 0.888 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -138.1 | -7.7 | -173.7 | -67.8 | -165.2 | 158.2 | 0 | 0 | 117.2 | K1920 | E1918-K1920 PolarHBondContact O-N 3.43Š|
| 1919 | T | 60.2 | Low | 69.7 | Low | 44 Ų | 44 | 85.7 Ų | 85.7 | 27% | 0.27 | 44% | 0.444 | S | S | . | . | trans | -79.4 | 113.9 | -176.9 | 10.8 | 0 | 0 | 0 | 0 | 112.4 | S1914 L1921 | S1914-T1919 PolarHBondContact O-OG1 3.13Å; S1914-T1919 VanDerWaalsContact O-OG1 3.14Å; S1914-T1919 PolarHBondContact OG-OG1 3.36Å; T1919-L1921 PolarHBondContact O-N 3.07Å | ||
| 1920 | K | 68.3 | Low | 70.1 | Confident | 162 Ų | 162 | 85.4 Ų | 85.4 | 70% | 0.704 | 44% | 0.443 | S | S | * | . | trans | -70.9 | 113 | 174.1 | -172.6 | 178.2 | -178.7 | -179.4 | 0 | 110.8 | S1899 E1918 | S1899-K1920 WeakPolarHBondContact CB-O 3.37Å; S1899-K1920 PolarHBondContact N-O 3.09Å; S1899-K1920 PolarHBondContact OG-O 2.62Å; E1918-K1920 PolarHBondContact O-N 3.43Å | ||
| 1921 | L | 77.7 | Confident | 70.6 | Confident | 86 Ų | 86 | 83.9 Ų | 83.9 | 45% | 0.45 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 154.6 | 174 | -59.8 | 166.9 | 0 | 0 | 0 | 111.1 | N1896 M1897 T1919 | N1896-L1921 VanDerWaalsContact OD1-CB 3.25Å; N1896-L1921 WeakPolarHBondContact OD1-CB 3.36Å; N1896-L1921 VanDerWaalsContact OD1-CD1 3.24Å; N1896-L1921 WeakPolarHBondContact OD1-CD1 3.35Å; M1897-L1921 CarbonylContact O-C 3.41Å; M1897-L1921 WeakPolarHBondContact O-CA 3.34Å; T1919-L1921 PolarHBondContact O-N 3.07Å |
| 1922 | V | 79.2 | Confident | 71.2 | Confident | 28 Ų | 28 | 83.2 Ų | 83.2 | 17% | 0.17 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 142.6 | -177.6 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | M1897 C1927 L1930 | M1897-V1922 VanDerWaalsContact CG-O 3.24Å; M1897-V1922 WeakPolarHBondContact CG-O 3.48Å; M1897-V1922 PolarHBondContact N-O 2.8Å; M1897-V1922 PolarHBondContact O-N 3.2Å; V1922-C1927 HydrophobicContact CG1-CB 3.75Å; V1922-L1930 HydrophobicContact CB-CD1 4.39Å; V1922-L1930 HydrophobicContact CG1-CD1 3.92Å; V1922-L1930 HydrophobicContact CG1-CD2 4.31Å |
| 1923 | N | 79.8 | Confident | 72 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | trans | -101.3 | 119.7 | 171.7 | -175.1 | -22.6 | 0 | 0 | 0 | 109.3 | S1895 F1925 E1926 C1927 | S1895-N1923 WeakPolarHBondContact O-CA 3.44Å; S1895-N1923 WeakPolarHBondContact O-CB 3.28Å; S1895-N1923 VanDerWaalsContact O-CG 3.29Å; N1923-F1925 VanDerWaalsContact C-N 3.32Å; N1923-F1925 WeakPolarHBondContact OD1-CB 3.46Å; N1923-F1925 WeakPolarHBondContact OD1-CD2 3.16Å; N1923-F1925 PolarHBondContact OD1-N 3.17Å; N1923-E1926 HydrophobicContact CB-CB 4.34Å; N1923-E1926 HydrophobicContact CB-CG 4.13Å; N1923-E1926 PolarHBondContact O-N 3Å; N1923-C1927 VanDerWaalsContact O-CB 3.3Å; N1923-C1927 WeakPolarHBondContact O-CB 3.5Å; N1923-C1927 PolarHBondContact O-N 2.93Å | ||
| 1924 | L | 83.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.3 | 178.9 | -172.5 | 74 | 0 | 0 | 0 | 112.4 | L1779 L1894 M1897 E1926 C1927 R1928 L1930 M1954 L1956 | L1779-L1924 HydrophobicContact CD1-CD2 3.64Å; L1894-L1924 HydrophobicContact CB-CB 4.41Å; L1894-L1924 HydrophobicContact CD2-CD2 3.93Å; L1894-L1924 VanDerWaalsContact O-CB 3.28Å; L1894-L1924 WeakPolarHBondContact O-CB 3.34Å; L1894-L1924 PolarHBondContact O-N 2.95Å; M1897-L1924 HydrophobicContact SD-CB 4.32Å; L1924-E1926 VanDerWaalsContact C-N 3.27Å; L1924-E1926 PolarHBondContact O-N 2.84Å; L1924-C1927 WeakPolarHBondContact CD1-O 3.32Å; L1924-C1927 CarbonylContact O-C 3.52Å; L1924-R1928 VanDerWaalsContact O-CA 3.28Å; L1924-R1928 WeakPolarHBondContact O-CA 3.27Å; L1924-R1928 PolarHBondContact O-N 2.55Å; L1924-L1930 HydrophobicContact CD1-CB 4.15Å; L1924-L1930 HydrophobicContact CD1-CD1 3.85Å; L1924-L1930 HydrophobicContact CD1-CG 4.1Å; L1924-M1954 HydrophobicContact CD1-CB 3.91Å; L1924-M1954 HydrophobicContact CD2-CB 4.2Å; L1924-M1954 HydrophobicContact CD2-SD 4.42Å; L1924-L1956 HydrophobicContact CD2-CB 4.23Å; L1924-L1956 HydrophobicContact CG-CB 4.21Å |
| 1925 | F | 80 | Confident | 75.5 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 13% | 0.127 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -27.7 | 176.5 | -60.2 | -85.5 | 0 | 0 | 0 | 112.1 | F1840 Y1842 P1869 L1894 N1923 L1956 | F1840-F1925 AromaticContact CE2-CE1 3.97Å; F1840-F1925 HydrophobicContact CE2-CE1 3.97Å; F1840-F1925 AromaticContact CE2-CZ 4Å; F1840-F1925 HydrophobicContact CE2-CZ 4Å; F1840-F1925 AromaticContact CZ-CE1 3.93Å; F1840-F1925 HydrophobicContact CZ-CE1 3.93Å; F1840-F1925 HydrophobicContact CZ-CZ 4.08Å; Y1842-F1925 AromaticContact CD1-CD1 3.49Å; Y1842-F1925 HydrophobicContact CD1-CD1 3.49Å; Y1842-F1925 VanDerWaalsContact CD1-CD1 3.49Å; Y1842-F1925 AromaticContact CD1-CE1 3.24Å; Y1842-F1925 HydrophobicContact CD1-CE1 3.24Å; Y1842-F1925 HydrophobicContact CD1-CG 4.33Å; Y1842-F1925 AromaticContact CD1-CZ 3.89Å; Y1842-F1925 HydrophobicContact CD1-CZ 3.89Å; Y1842-F1925 AromaticContact CD2-CE1 3.88Å; Y1842-F1925 HydrophobicContact CD2-CE1 3.88Å; Y1842-F1925 HydrophobicContact CD2-CE2 4.41Å; Y1842-F1925 AromaticContact CD2-CZ 3.69Å; Y1842-F1925 HydrophobicContact CD2-CZ 3.69Å; Y1842-F1925 HydrophobicContact CE1-CB 4.38Å; Y1842-F1925 AromaticContact CE1-CD1 3.2Å; Y1842-F1925 HydrophobicContact CE1-CD1 3.2Å; Y1842-F1925 AromaticContact CE1-CD2 3.98Å; Y1842-F1925 HydrophobicContact CE1-CD2 3.98Å; Y1842-F1925 AromaticContact CE1-CE1 3.3Å; Y1842-F1925 HydrophobicContact CE1-CE1 3.3Å; Y1842-F1925 HydrophobicContact CE1-CE2 4.04Å; Y1842-F1925 AromaticContact CE1-CG 3.59Å; Y1842-F1925 HydrophobicContact CE1-CG 3.59Å; Y1842-F1925 AromaticContact CE1-CZ 3.73Å; Y1842-F1925 HydrophobicContact CE1-CZ 3.73Å; Y1842-F1925 HydrophobicContact CE2-CD2 4.42Å; Y1842-F1925 AromaticContact CE2-CE1 3.96Å; Y1842-F1925 HydrophobicContact CE2-CE1 3.96Å; Y1842-F1925 AromaticContact CE2-CE2 3.8Å; Y1842-F1925 HydrophobicContact CE2-CE2 3.8Å; Y1842-F1925 AromaticContact CE2-CZ 3.54Å; Y1842-F1925 HydrophobicContact CE2-CZ 3.54Å; Y1842-F1925 HydrophobicContact CG-CD1 4.26Å; Y1842-F1925 AromaticContact CG-CE1 3.54Å; Y1842-F1925 HydrophobicContact CG-CE1 3.54Å; Y1842-F1925 AromaticContact CG-CZ 3.87Å; Y1842-F1925 HydrophobicContact CG-CZ 3.87Å; Y1842-F1925 AromaticContact CZ-CD1 3.8Å; Y1842-F1925 AromaticContact CZ-CD2 3.73Å; Y1842-F1925 AromaticContact CZ-CE1 3.67Å; Y1842-F1925 AromaticContact CZ-CE2 3.57Å; Y1842-F1925 AromaticContact CZ-CG 3.86Å; Y1842-F1925 AromaticContact CZ-CZ 3.54Å; P1869-F1925 HydrophobicContact CB-CE2 3.93Å; P1869-F1925 HydrophobicContact CB-CZ 3.85Å; P1869-F1925 HydrophobicContact CG-CE2 3.86Å; P1869-F1925 HydrophobicContact CG-CZ 4.22Å; L1894-F1925 HydrophobicContact CB-CE2 3.78Å; L1894-F1925 HydrophobicContact CB-CZ 4.29Å; L1894-F1925 HydrophobicContact CD1-CZ 4.43Å; N1923-F1925 VanDerWaalsContact C-N 3.32Å; N1923-F1925 WeakPolarHBondContact OD1-CB 3.46Å; N1923-F1925 WeakPolarHBondContact OD1-CD2 3.16Å; N1923-F1925 PolarHBondContact OD1-N 3.17Å; F1925-L1956 HydrophobicContact CB-CD2 4.39Å; F1925-L1956 HydrophobicContact CD1-CD2 3.21Å; F1925-L1956 HydrophobicContact CE1-CD2 3.55Å; F1925-L1956 HydrophobicContact CG-CD2 3.94Å |
| 1926 | E | 76.3 | Confident | 77.8 | Confident | 162 Ų | 162 | 65 Ų | 65 | 76% | 0.757 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -52.4 | 168.5 | -60.2 | -175.3 | 159.2 | 0 | 0 | 111.2 | N1923 L1924 R1928 | N1923-E1926 HydrophobicContact CB-CB 4.34Å; N1923-E1926 HydrophobicContact CB-CG 4.13Å; N1923-E1926 PolarHBondContact O-N 3Å; L1924-E1926 VanDerWaalsContact C-N 3.27Å; L1924-E1926 PolarHBondContact O-N 2.84Å; E1926-R1928 PolarHBondContact O-N 3.4Å |
| 1927 | C | 76.3 | Confident | 79.8 | Confident | 52 Ų | 52 | 63 Ų | 63 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -90.3 | 70.1 | 180 | -163.3 | 0 | 0 | 0 | 0 | 110.1 | V1922 N1923 L1924 R1929 | V1922-C1927 HydrophobicContact CG1-CB 3.75Å; N1923-C1927 VanDerWaalsContact O-CB 3.3Å; N1923-C1927 WeakPolarHBondContact O-CB 3.5Å; N1923-C1927 PolarHBondContact O-N 2.93Å; L1924-C1927 WeakPolarHBondContact CD1-O 3.32Å; L1924-C1927 CarbonylContact O-C 3.52Å; C1927-R1929 PolarHBondContact O-N 2.85Å |
| 1928 | R | 81 | Confident | 81.6 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | trans | -52.5 | -9.8 | -171.2 | -66 | -166 | -178.7 | -172.8 | 4.6 | 117.3 | L1924 E1926 E1955 L1956 E1961 | L1924-R1928 VanDerWaalsContact O-CA 3.28Å; L1924-R1928 WeakPolarHBondContact O-CA 3.27Å; L1924-R1928 PolarHBondContact O-N 2.55Å; E1926-R1928 PolarHBondContact O-N 3.4Å; R1928-E1955 CarbonylContact O-C 3.59Å; R1928-E1955 WeakPolarHBondContact O-CA 3.18Å; R1928-L1956 PolarHBondContact O-N 3.04Å; R1928-E1961 IonicContact CZ-OE1 3.67Å; R1928-E1961 IonicContact NH1-OE1 3.94Å; R1928-E1961 PolarHBondContact NH1-OE1 2.84Å; R1928-E1961 IonicContact NH1-OE2 3.9Å; R1928-E1961 PolarHBondContact NH1-OE2 2.77Å; R1928-E1961 IonicContact NH2-OE1 3.74Å | ||
| 1929 | R | 86.8 | Confident | 82.7 | Confident | 129 Ų | 129 | 53.7 Ų | 53.7 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 122.8 | 175.6 | -168.1 | 169.7 | 174.1 | 166.2 | 0.1 | 111 | C1927 E1953 M1954 E1955 | C1927-R1929 PolarHBondContact O-N 2.85Å; R1929-E1953 IonicContact CZ-OE1 2.85Å; R1929-E1953 IonicContact NE-OE1 3.14Å; R1929-E1953 PolarHBondContact NE-OE1 2.78Å; R1929-E1953 IonicContact NH2-OE1 2.75Å; R1929-E1953 PolarHBondContact NH2-OE1 2.74Å; R1929-E1953 IonicContact NH2-OE2 2.7Å; R1929-M1954 CarbonylContact C-O 3.58Å; R1929-M1954 VanDerWaalsContact CA-O 3.26Å; R1929-M1954 WeakPolarHBondContact CA-O 3.27Å; R1929-E1955 HydrophobicContact CG-CB 4.41Å |
| 1930 | L | 89.2 | Confident | 83.2 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.9 | -179.9 | -80.6 | 174.1 | 0 | 0 | 0 | 110.6 | M1897 P1900 V1922 L1924 W1934 E1953 M1954 | M1897-L1930 HydrophobicContact SD-CD1 4.34Å; P1900-L1930 HydrophobicContact CG-CD2 4.13Å; V1922-L1930 HydrophobicContact CB-CD1 4.39Å; V1922-L1930 HydrophobicContact CG1-CD1 3.92Å; V1922-L1930 HydrophobicContact CG1-CD2 4.31Å; L1924-L1930 HydrophobicContact CD1-CB 4.15Å; L1924-L1930 HydrophobicContact CD1-CD1 3.85Å; L1924-L1930 HydrophobicContact CD1-CG 4.1Å; L1930-W1934 HydrophobicContact CB-CH2 4.4Å; L1930-E1953 CarbonylContact O-C 3.41Å; L1930-E1953 WeakPolarHBondContact O-CA 3.41Å; L1930-M1954 HydrophobicContact CB-CE 4.33Å; L1930-M1954 PolarHBondContact N-O 2.7Å; L1930-M1954 PolarHBondContact O-N 3.36Å |
| 1931 | N | 88.9 | Confident | 83 | Confident | 82 Ų | 82 | 54.9 Ų | 54.9 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.8 | 175.4 | 67.9 | -8.9 | 0 | 0 | 0 | 112.7 | P1900 K1902 M1952 E1953 | P1900-N1931 WeakPolarHBondContact CG-O 3.44Å; K1902-N1931 PolarHBondContact NZ-O 2.94Å; K1902-N1931 PolarHBondContact NZ-OD1 3.28Å; N1931-M1952 WeakPolarHBondContact CA-O 3.4Å; N1931-E1953 HydrophobicContact CB-CB 4.21Å; N1931-E1953 HydrophobicContact CB-CG 4.16Å |
| 1932 | G | 91.6 | Very high | 82.4 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | -151.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1901 W1934 M1952 | S1901-G1932 WeakPolarHBondContact O-CA 3.47Å; G1932-W1934 WeakPolarHBondContact O-CZ3 3.36Å; G1932-M1952 PolarHBondContact N-O 3.28Å; G1932-M1952 VanDerWaalsContact N-O 3.11Å; G1932-M1952 PolarHBondContact O-N 2.91Å |
| 1933 | F | 91.6 | Very high | 82.1 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.9 | -170.2 | -59.6 | -96.3 | 0 | 0 | 0 | 112.1 | F1787 S1901 R1904 C1907 I1950 E1951 | F1787-F1933 HydrophobicContact CD2-CD1 4.3Å; F1787-F1933 AromaticContact CD2-CE1 3.66Å; F1787-F1933 HydrophobicContact CD2-CE1 3.66Å; F1787-F1933 AromaticContact CE2-CE1 3.67Å; F1787-F1933 HydrophobicContact CE2-CE1 3.67Å; F1787-F1933 HydrophobicContact CE2-CZ 4.37Å; S1901-F1933 PolarHBondContact N-O 2.67Å; S1901-F1933 WeakPolarHBondContact O-CD2 3.39Å; S1901-F1933 PolarHBondContact O-N 2.71Å; R1904-F1933 HydrophobicContact CB-CD1 4.22Å; R1904-F1933 HydrophobicContact CB-CE1 3.99Å; R1904-F1933 HydrophobicContact CB-CZ 4.31Å; C1907-F1933 HydrophobicContact CB-CB 3.85Å; F1933-I1950 VanDerWaalsContact CA-O 3.26Å; F1933-I1950 WeakPolarHBondContact CA-O 3.33Å; F1933-E1951 HydrophobicContact CD1-CB 3.92Å; F1933-E1951 HydrophobicContact CD1-CG 4.37Å; F1933-E1951 HydrophobicContact CE1-CB 3.62Å; F1933-E1951 HydrophobicContact CE1-CG 3.87Å; F1933-E1951 HydrophobicContact CE2-CG 4.41Å; F1933-E1951 HydrophobicContact CZ-CB 4.16Å; F1933-E1951 HydrophobicContact CZ-CG 3.87Å; F1933-E1951 WeakPolarHBondContact CZ-OE1 3.45Å |
| 1934 | W | 92.7 | Very high | 82 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.2 | 168.4 | -70.8 | -96.3 | 0 | 0 | 0 | 110.8 | L1890 L1892 M1897 P1898 P1900 L1930 G1932 K1949 I1950 M1952 M1954 | L1890-W1934 HydrophobicContact CD1-CB 4.39Å; L1890-W1934 HydrophobicContact CD2-CB 3.59Å; L1890-W1934 HydrophobicContact CD2-CG 4.36Å; L1892-W1934 HydrophobicContact CD1-CG 4.47Å; M1897-W1934 HydrophobicContact CE-CZ2 3.74Å; P1898-W1934 PolarHBondContact O-NE1 3.24Å; P1898-W1934 VanDerWaalsContact O-NE1 3.09Å; P1900-W1934 HydrophobicContact CB-CD2 4.13Å; P1900-W1934 HydrophobicContact CB-CE3 4.11Å; P1900-W1934 HydrophobicContact CB-CH2 3.44Å; P1900-W1934 VanDerWaalsContact CB-CH2 3.44Å; P1900-W1934 HydrophobicContact CB-CZ2 3.41Å; P1900-W1934 VanDerWaalsContact CB-CZ2 3.41Å; P1900-W1934 HydrophobicContact CB-CZ3 3.78Å; P1900-W1934 HydrophobicContact CG-CH2 3.59Å; P1900-W1934 HydrophobicContact CG-CZ2 3.53Å; P1900-W1934 HydrophobicContact CG-CZ3 4.39Å; L1930-W1934 HydrophobicContact CB-CH2 4.4Å; G1932-W1934 WeakPolarHBondContact O-CZ3 3.36Å; W1934-K1949 CarbonylContact O-C 3.54Å; W1934-K1949 WeakPolarHBondContact O-CA 3.47Å; W1934-I1950 HydrophobicContact CB-CG2 4.12Å; W1934-I1950 PolarHBondContact N-O 3.31Å; W1934-I1950 PolarHBondContact O-N 3.37Å; W1934-M1952 HydrophobicContact CD2-CE 3.66Å; W1934-M1952 HydrophobicContact CE3-CE 3.4Å; W1934-M1952 HydrophobicContact CE3-CG 3.58Å; W1934-M1952 HydrophobicContact CE3-SD 4.22Å; W1934-M1952 HydrophobicContact CG-CE 4.19Å; W1934-M1952 HydrophobicContact CH2-CE 4.26Å; W1934-M1952 HydrophobicContact CZ2-CE 4.49Å; W1934-M1952 HydrophobicContact CZ3-CE 3.73Å; W1934-M1952 HydrophobicContact CZ3-CG 3.46Å; W1934-M1952 VanDerWaalsContact CZ3-CG 3.46Å; W1934-M1952 HydrophobicContact CZ3-SD 4.45Å; W1934-M1954 HydrophobicContact CH2-CE 3.11Å; W1934-M1954 HydrophobicContact CZ2-CE 3.35Å; W1934-M1954 HydrophobicContact CZ3-CE 3.9Å |
| 1935 | P | 92.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 142 | 177.6 | 32.5 | -33.4 | 0 | 0 | 0 | 111.6 | C1907 M1911 L1912 L1946 | C1907-P1935 VanDerWaalsContact SG-N 3.4Å; M1911-P1935 HydrophobicContact CB-CG 4.43Å; L1912-P1935 HydrophobicContact CD1-CG 3.81Å; L1912-P1935 HydrophobicContact CG-CG 3.97Å; P1935-L1946 HydrophobicContact CB-CD1 3.34Å |
| 1936 | F | 91.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 146.3 | 160.7 | -79.1 | -62.7 | 0 | 0 | 0 | 110 | T1786 V1806 L1873 V1875 L1890 T1947 G1948 I1950 | T1786-F1936 HydrophobicContact CG2-CE2 4.18Å; V1806-F1936 HydrophobicContact CG1-CZ 4.3Å; V1806-F1936 HydrophobicContact CG2-CZ 4.46Å; L1873-F1936 HydrophobicContact CB-CE1 4.02Å; L1873-F1936 HydrophobicContact CB-CZ 4.41Å; V1875-F1936 HydrophobicContact CB-CD2 3.86Å; V1875-F1936 HydrophobicContact CB-CE1 4.41Å; V1875-F1936 HydrophobicContact CB-CE2 3.61Å; V1875-F1936 HydrophobicContact CB-CG 4.34Å; V1875-F1936 HydrophobicContact CB-CZ 3.92Å; V1875-F1936 HydrophobicContact CG1-CB 3.97Å; V1875-F1936 HydrophobicContact CG1-CD1 3.98Å; V1875-F1936 HydrophobicContact CG1-CD2 3.4Å; V1875-F1936 VanDerWaalsContact CG1-CD2 3.4Å; V1875-F1936 HydrophobicContact CG1-CE1 4.28Å; V1875-F1936 HydrophobicContact CG1-CE2 3.72Å; V1875-F1936 HydrophobicContact CG1-CG 3.53Å; V1875-F1936 HydrophobicContact CG1-CZ 4.16Å; V1875-F1936 HydrophobicContact CG2-CE2 4.44Å; L1890-F1936 HydrophobicContact CB-CD1 3.63Å; L1890-F1936 HydrophobicContact CB-CE1 3.76Å; F1936-T1947 PolarHBondContact O-N 3.48Å; F1936-G1948 PolarHBondContact N-O 2.89Å; F1936-I1950 HydrophobicContact CD2-CB 4.3Å; F1936-I1950 HydrophobicContact CE2-CB 3.66Å; F1936-I1950 HydrophobicContact CE2-CD1 4.15Å; F1936-I1950 HydrophobicContact CE2-CG1 4.34Å; F1936-I1950 HydrophobicContact CE2-CG2 4.24Å; F1936-I1950 HydrophobicContact CZ-CB 4.11Å; F1936-I1950 HydrophobicContact CZ-CD1 3.92Å; F1936-I1950 HydrophobicContact CZ-CG2 4.36Å |
| 1937 | V | 88 | Confident | 82.8 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.8 | -179.1 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | G1888 T1889 L1909 L1912 E1939 P1944 L1945 | G1888-V1937 CarbonylContact C-O 3.55Å; G1888-V1937 WeakPolarHBondContact CA-O 3.43Å; T1889-V1937 PolarHBondContact N-O 3.44Å; T1889-V1937 PolarHBondContact O-N 2.89Å; L1909-V1937 HydrophobicContact CD1-CG1 4.23Å; L1909-V1937 HydrophobicContact CD1-CG2 3.75Å; L1909-V1937 HydrophobicContact CG-CG2 3.94Å; L1912-V1937 HydrophobicContact CD1-CG2 3.49Å; L1912-V1937 VanDerWaalsContact CD1-CG2 3.49Å; V1937-E1939 HydrophobicContact CG1-CG 3.99Å; V1937-P1944 HydrophobicContact CG1-CB 3.46Å; V1937-P1944 VanDerWaalsContact CG1-CB 3.46Å; V1937-L1945 VanDerWaalsContact CA-O 3.29Å; V1937-L1945 WeakPolarHBondContact CA-O 3.35Å |
| 1938 | N | 85.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138.1 | 161.7 | -170.4 | -11.3 | 0 | 0 | 0 | 108.9 | F1886 E1940 P1944 L1945 T1947 | F1886-N1938 HydrophobicContact CE1-CB 4.41Å; N1938-E1940 PolarHBondContact ND2-OE2 3.34Å; N1938-E1940 WeakPolarHBondContact OD1-CB 3.23Å; N1938-E1940 VanDerWaalsContact OD1-CG 3.28Å; N1938-E1940 WeakPolarHBondContact OD1-CG 3.11Å; N1938-E1940 PolarHBondContact OD1-N 3.42Å; N1938-P1944 WeakPolarHBondContact O-CA 3.07Å; N1938-L1945 PolarHBondContact N-O 3.19Å; N1938-L1945 VanDerWaalsContact N-O 3.11Å; N1938-L1945 PolarHBondContact O-N 2.81Å; N1938-T1947 HydrophobicContact CB-CG2 3.6Å |
| 1939 | E | 77.3 | Confident | 84 | Confident | 130 Ų | 130 | 49.4 Ų | 49.4 | 61% | 0.607 | 27% | 0.274 | S | S | * | . | trans | -115.8 | 7.5 | -179.3 | -62.2 | -162.7 | 154.2 | 0 | 0 | 113.5 | V1937 S1941 G1942 P1944 | V1937-E1939 HydrophobicContact CG1-CG 3.99Å; E1939-S1941 PolarHBondContact O-N 3.21Å; E1939-G1942 WeakPolarHBondContact O-CA 3.31Å; E1939-G1942 PolarHBondContact O-N 3.48Å; E1939-P1944 HydrophobicContact CG-CB 3.98Å | ||
| 1940 | E | 70 | Confident | 84.3 | Confident | 153 Ų | 153 | 43.2 Ų | 43.2 | 72% | 0.715 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28.1 | -177.4 | -79.5 | 174.5 | 145.3 | 0 | 0 | 114.5 | N1938 G1942 | N1938-E1940 PolarHBondContact ND2-OE2 3.34Å; N1938-E1940 WeakPolarHBondContact OD1-CB 3.23Å; N1938-E1940 VanDerWaalsContact OD1-CG 3.28Å; N1938-E1940 WeakPolarHBondContact OD1-CG 3.11Å; N1938-E1940 PolarHBondContact OD1-N 3.42Å; E1940-G1942 VanDerWaalsContact C-N 3.32Å |
| 1941 | S | 63.2 | Low | 84.6 | Confident | 78 Ų | 78 | 45 Ų | 45 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.5 | 174.6 | 60.9 | 0 | 0 | 0 | 0 | 114.7 | E1939 T1943 L1945 | E1939-S1941 PolarHBondContact O-N 3.21Å; S1941-T1943 PolarHBondContact O-N 3.03Å; S1941-T1943 PolarHBondContact OG-OG1 3.41Å; S1941-L1945 WeakPolarHBondContact OG-CD1 3.49Å |
| 1942 | G | 65.6 | Low | 84.8 | Confident | 70 Ų | 70 | 41.1 Ų | 41.1 | 72% | 0.722 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 73.9 | 2.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1939 E1940 | E1939-G1942 WeakPolarHBondContact O-CA 3.31Å; E1939-G1942 PolarHBondContact O-N 3.48Å; E1940-G1942 VanDerWaalsContact C-N 3.32Å |
| 1943 | T | 73.9 | Confident | 84.9 | Confident | 83 Ų | 83 | 41.7 Ų | 41.7 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -129.7 | 128.7 | 173.7 | 45.6 | 0 | 0 | 0 | 0 | 109.1 | S1941 L1945 | S1941-T1943 PolarHBondContact O-N 3.03Å; S1941-T1943 PolarHBondContact OG-OG1 3.41Å; T1943-L1945 PolarHBondContact O-N 3.39Å; T1943-L1945 VanDerWaalsContact O-N 3.12Å |
| 1944 | P | 76.5 | Confident | 84.9 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 26% | 0.26 | 23% | 0.234 | S | C | . | . | trans | -68.7 | 112.9 | -178.6 | 25.4 | -33.6 | 0 | 0 | 0 | 111 | L1909 V1937 N1938 E1939 | L1909-P1944 HydrophobicContact CD1-CB 4.24Å; L1909-P1944 WeakPolarHBondContact CD1-O 3.44Å; L1909-P1944 HydrophobicContact CD2-CB 3.98Å; L1909-P1944 HydrophobicContact CD2-CG 4.08Å; V1937-P1944 HydrophobicContact CG1-CB 3.46Å; V1937-P1944 VanDerWaalsContact CG1-CB 3.46Å; N1938-P1944 WeakPolarHBondContact O-CA 3.07Å; E1939-P1944 HydrophobicContact CG-CB 3.98Å | ||
| 1945 | L | 82.8 | Confident | 84.9 | Confident | 94 Ų | 94 | 41.9 Ų | 41.9 | 49% | 0.492 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 138.8 | 176.3 | -90.9 | 132 | 0 | 0 | 0 | 110.7 | V1937 N1938 S1941 T1943 T1947 | V1937-L1945 VanDerWaalsContact CA-O 3.29Å; V1937-L1945 WeakPolarHBondContact CA-O 3.35Å; N1938-L1945 PolarHBondContact N-O 3.19Å; N1938-L1945 VanDerWaalsContact N-O 3.11Å; N1938-L1945 PolarHBondContact O-N 2.81Å; S1941-L1945 WeakPolarHBondContact OG-CD1 3.49Å; T1943-L1945 PolarHBondContact O-N 3.39Å; T1943-L1945 VanDerWaalsContact O-N 3.12Å; L1945-T1947 HydrophobicContact CB-CG2 4.28Å; L1945-T1947 PolarHBondContact O-N 3.33Å |
| 1946 | L | 86.4 | Confident | 84.8 | Confident | 65 Ų | 65 | 42 Ų | 42 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 100.3 | 171.8 | 177.9 | 68.7 | 0 | 0 | 0 | 108.7 | L1909 P1935 G1948 K1949 | L1909-L1946 HydrophobicContact CD1-CB 4.04Å; P1935-L1946 HydrophobicContact CB-CD1 3.34Å; L1946-G1948 WeakPolarHBondContact CD1-O 3.34Å; L1946-K1949 HydrophobicContact CD1-CG 4.46Å |
| 1947 | T | 87.8 | Confident | 84.6 | Confident | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -3.6 | -175.7 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | V1789 V1790 I1887 F1936 N1938 L1945 | V1789-T1947 WeakPolarHBondContact CA-O 3.46Å; V1790-T1947 HydrophobicContact CG2-CG2 4.29Å; V1790-T1947 PolarHBondContact N-O 2.99Å; V1790-T1947 VanDerWaalsContact N-O 3.13Å; I1887-T1947 WeakPolarHBondContact O-CB 3.46Å; I1887-T1947 VanDerWaalsContact O-CG2 3.32Å; I1887-T1947 WeakPolarHBondContact O-CG2 3.47Å; I1887-T1947 PolarHBondContact O-OG1 3.46Å; F1936-T1947 PolarHBondContact O-N 3.48Å; N1938-T1947 HydrophobicContact CB-CG2 3.6Å; L1945-T1947 HydrophobicContact CB-CG2 4.28Å; L1945-T1947 PolarHBondContact O-N 3.33Å |
| 1948 | G | 89.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -179.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1936 L1946 | F1936-G1948 PolarHBondContact N-O 2.89Å; L1946-G1948 WeakPolarHBondContact CD1-O 3.34Å |
| 1949 | K | 92.9 | Very high | 84.4 | Confident | 21 Ų | 21 | 46 Ų | 46 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 133.6 | 173.7 | -60 | 166.5 | -172.9 | 170.3 | 0 | 108.9 | T1786 F1787 D1788 R1904 C1907 W1934 L1946 | T1786-K1949 CarbonylContact C-O 3.56Å; T1786-K1949 WeakPolarHBondContact CA-O 3.42Å; F1787-K1949 PolarHBondContact N-O 3.17Å; F1787-K1949 PolarHBondContact O-N 3.02Å; D1788-K1949 HydrophobicContact CB-CD 4.32Å; D1788-K1949 WeakPolarHBondContact OD2-CD 3.38Å; D1788-K1949 VanDerWaalsContact OD2-CE 3.27Å; D1788-K1949 WeakPolarHBondContact OD2-CE 3.42Å; D1788-K1949 IonicContact OD2-NZ 3.34Å; D1788-K1949 PolarHBondContact OD2-NZ 3.43Å; R1904-K1949 HydrophobicContact CG-CD 4.07Å; R1904-K1949 PolarHBondContact O-NZ 3.5Å; R1904-K1949 VanDerWaalsContact O-NZ 3.13Å; C1907-K1949 HydrophobicContact CB-CD 4Å; C1907-K1949 HydrophobicContact CB-CG 4.36Å; C1907-K1949 VanDerWaalsContact O-CE 3.26Å; C1907-K1949 WeakPolarHBondContact O-CE 3.35Å; W1934-K1949 CarbonylContact O-C 3.54Å; W1934-K1949 WeakPolarHBondContact O-CA 3.47Å; L1946-K1949 HydrophobicContact CD1-CG 4.46Å |
| 1950 | I | 93.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.3 | 175.2 | -168.3 | 167.2 | 0 | 0 | 0 | 110.5 | V1783 T1786 V1806 L1890 F1933 W1934 F1936 M1952 | V1783-I1950 HydrophobicContact CG1-CD1 3.97Å; V1783-I1950 HydrophobicContact CG1-CG1 4.25Å; V1783-I1950 HydrophobicContact CG2-CD1 4.14Å; T1786-I1950 HydrophobicContact CG2-CB 4.39Å; T1786-I1950 HydrophobicContact CG2-CG1 4.23Å; V1806-I1950 HydrophobicContact CG1-CD1 4.07Å; V1806-I1950 HydrophobicContact CG2-CD1 4.43Å; L1890-I1950 HydrophobicContact CD2-CG2 3.76Å; F1933-I1950 VanDerWaalsContact CA-O 3.26Å; F1933-I1950 WeakPolarHBondContact CA-O 3.33Å; W1934-I1950 HydrophobicContact CB-CG2 4.12Å; W1934-I1950 PolarHBondContact N-O 3.31Å; W1934-I1950 PolarHBondContact O-N 3.37Å; F1936-I1950 HydrophobicContact CD2-CB 4.3Å; F1936-I1950 HydrophobicContact CE2-CB 3.66Å; F1936-I1950 HydrophobicContact CE2-CD1 4.15Å; F1936-I1950 HydrophobicContact CE2-CG1 4.34Å; F1936-I1950 HydrophobicContact CE2-CG2 4.24Å; F1936-I1950 HydrophobicContact CZ-CB 4.11Å; F1936-I1950 HydrophobicContact CZ-CD1 3.92Å; F1936-I1950 HydrophobicContact CZ-CG2 4.36Å; I1950-M1952 HydrophobicContact CD1-CB 4.47Å; I1950-M1952 HydrophobicContact CD1-SD 4.01Å; I1950-M1952 HydrophobicContact CG1-CB 4.22Å; I1950-M1952 HydrophobicContact CG1-CG 4.47Å; I1950-M1952 HydrophobicContact CG1-SD 4.31Å; I1950-M1952 HydrophobicContact CG2-CE 4.45Å; I1950-M1952 HydrophobicContact CG2-CG 4.35Å; I1950-M1952 HydrophobicContact CG2-SD 3.86Å |
| 1951 | E | 94.4 | Very high | 85.4 | Confident | 52 Ų | 52 | 38.1 Ų | 38.1 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 112.4 | 164.4 | -173.6 | 176.3 | -146.3 | 0 | 0 | 108.2 | W1784 N1785 F1787 F1933 | W1784-E1951 HydrophobicContact CB-CB 4.44Å; W1784-E1951 HydrophobicContact CB-CG 4.16Å; W1784-E1951 PolarHBondContact N-O 2.83Å; N1785-E1951 HydrophobicContact CB-CB 4.37Å; N1785-E1951 PolarHBondContact N-O 3.13Å; N1785-E1951 PolarHBondContact ND2-OE2 3.43Å; N1785-E1951 PolarHBondContact O-N 2.86Å; F1787-E1951 HydrophobicContact CD2-CB 4.46Å; F1787-E1951 HydrophobicContact CE2-CB 4.11Å; F1933-E1951 HydrophobicContact CD1-CB 3.92Å; F1933-E1951 HydrophobicContact CD1-CG 4.37Å; F1933-E1951 HydrophobicContact CE1-CB 3.62Å; F1933-E1951 HydrophobicContact CE1-CG 3.87Å; F1933-E1951 HydrophobicContact CE2-CG 4.41Å; F1933-E1951 HydrophobicContact CZ-CB 4.16Å; F1933-E1951 HydrophobicContact CZ-CG 3.87Å; F1933-E1951 WeakPolarHBondContact CZ-OE1 3.45Å |
| 1952 | M | 93.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 159.4 | -177.9 | 65.1 | -172.8 | -168 | 0 | 0 | 113 | L1781 V1782 L1873 L1890 L1892 N1931 G1932 W1934 I1950 M1954 | L1781-M1952 HydrophobicContact CD1-CB 3.99Å; L1781-M1952 HydrophobicContact CD1-CG 4.05Å; L1781-M1952 HydrophobicContact CD1-SD 3.73Å; L1781-M1952 HydrophobicContact CD2-SD 4.41Å; V1782-M1952 CarbonylContact O-C 3.55Å; V1782-M1952 WeakPolarHBondContact O-CA 3.32Å; V1782-M1952 WeakPolarHBondContact O-CB 3.37Å; L1873-M1952 HydrophobicContact CD1-CE 3.77Å; L1873-M1952 HydrophobicContact CD1-SD 3.42Å; L1873-M1952 WeakPolarHBondContact CD1-SD 3.21Å; L1890-M1952 HydrophobicContact CD2-CE 4.2Å; L1892-M1952 HydrophobicContact CD1-CE 3.53Å; N1931-M1952 WeakPolarHBondContact CA-O 3.4Å; G1932-M1952 PolarHBondContact N-O 3.28Å; G1932-M1952 VanDerWaalsContact N-O 3.11Å; G1932-M1952 PolarHBondContact O-N 2.91Å; W1934-M1952 HydrophobicContact CD2-CE 3.66Å; W1934-M1952 HydrophobicContact CE3-CE 3.4Å; W1934-M1952 HydrophobicContact CE3-CG 3.58Å; W1934-M1952 HydrophobicContact CE3-SD 4.22Å; W1934-M1952 HydrophobicContact CG-CE 4.19Å; W1934-M1952 HydrophobicContact CH2-CE 4.26Å; W1934-M1952 HydrophobicContact CZ2-CE 4.49Å; W1934-M1952 HydrophobicContact CZ3-CE 3.73Å; W1934-M1952 HydrophobicContact CZ3-CG 3.46Å; W1934-M1952 VanDerWaalsContact CZ3-CG 3.46Å; W1934-M1952 HydrophobicContact CZ3-SD 4.45Å; I1950-M1952 HydrophobicContact CD1-CB 4.47Å; I1950-M1952 HydrophobicContact CD1-SD 4.01Å; I1950-M1952 HydrophobicContact CG1-CB 4.22Å; I1950-M1952 HydrophobicContact CG1-CG 4.47Å; I1950-M1952 HydrophobicContact CG1-SD 4.31Å; I1950-M1952 HydrophobicContact CG2-CE 4.45Å; I1950-M1952 HydrophobicContact CG2-CG 4.35Å; I1950-M1952 HydrophobicContact CG2-SD 3.86Å; M1952-M1954 HydrophobicContact CE-CE 3.94Å; M1952-M1954 HydrophobicContact CE-SD 4.31Å |
| 1953 | E | 92.7 | Very high | 87.1 | Confident | 21 Ų | 21 | 36.9 Ų | 36.9 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.3 | 174.9 | 178.3 | 167.3 | -146 | 0 | 0 | 109.6 | L1781 V1782 R1929 L1930 N1931 | L1781-E1953 CarbonylContact C-O 3.58Å; L1781-E1953 WeakPolarHBondContact CA-O 3.37Å; V1782-E1953 HydrophobicContact CB-CB 4.4Å; V1782-E1953 PolarHBondContact N-O 2.79Å; V1782-E1953 PolarHBondContact O-N 2.83Å; R1929-E1953 IonicContact CZ-OE1 2.85Å; R1929-E1953 IonicContact NE-OE1 3.14Å; R1929-E1953 PolarHBondContact NE-OE1 2.78Å; R1929-E1953 IonicContact NH2-OE1 2.75Å; R1929-E1953 PolarHBondContact NH2-OE1 2.74Å; R1929-E1953 IonicContact NH2-OE2 2.7Å; L1930-E1953 CarbonylContact O-C 3.41Å; L1930-E1953 WeakPolarHBondContact O-CA 3.41Å; N1931-E1953 HydrophobicContact CB-CB 4.21Å; N1931-E1953 HydrophobicContact CB-CG 4.16Å |
| 1954 | M | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130.1 | 171.5 | -73.9 | 167.3 | -69.1 | 0 | 0 | 109.3 | L1779 R1780 L1781 L1871 L1894 M1897 L1924 R1929 L1930 W1934 M1952 | L1779-M1954 HydrophobicContact CD1-CB 4.22Å; L1779-M1954 HydrophobicContact CD1-CG 4.25Å; R1780-M1954 CarbonylContact O-C 3.56Å; R1780-M1954 WeakPolarHBondContact O-CA 3.44Å; L1781-M1954 HydrophobicContact CD1-CB 4.46Å; L1781-M1954 HydrophobicContact CD1-CG 3.29Å; L1781-M1954 HydrophobicContact CD1-SD 4.29Å; L1871-M1954 HydrophobicContact CD2-SD 3.98Å; L1894-M1954 HydrophobicContact CD2-SD 4.48Å; M1897-M1954 HydrophobicContact CE-CE 3.43Å; M1897-M1954 VanDerWaalsContact CE-CE 3.43Å; M1897-M1954 HydrophobicContact CE-SD 4.01Å; M1897-M1954 HydrophobicContact SD-CE 4.43Å; L1924-M1954 HydrophobicContact CD1-CB 3.91Å; L1924-M1954 HydrophobicContact CD2-CB 4.2Å; L1924-M1954 HydrophobicContact CD2-SD 4.42Å; R1929-M1954 CarbonylContact C-O 3.58Å; R1929-M1954 VanDerWaalsContact CA-O 3.26Å; R1929-M1954 WeakPolarHBondContact CA-O 3.27Å; L1930-M1954 HydrophobicContact CB-CE 4.33Å; L1930-M1954 PolarHBondContact N-O 2.7Å; L1930-M1954 PolarHBondContact O-N 3.36Å; W1934-M1954 HydrophobicContact CH2-CE 3.11Å; W1934-M1954 HydrophobicContact CZ2-CE 3.35Å; W1934-M1954 HydrophobicContact CZ3-CE 3.9Å; M1952-M1954 HydrophobicContact CE-CE 3.94Å; M1952-M1954 HydrophobicContact CE-SD 4.31Å |
| 1955 | E | 92.2 | Very high | 88.1 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.3 | 164.3 | -173.1 | -176.4 | -149 | 0 | 0 | 108.6 | R1780 R1928 R1929 V1957 R1965 | R1780-E1955 HydrophobicContact CB-CB 4.37Å; R1780-E1955 PolarHBondContact N-O 2.87Å; R1780-E1955 PolarHBondContact O-N 3.17Å; R1928-E1955 CarbonylContact O-C 3.59Å; R1928-E1955 WeakPolarHBondContact O-CA 3.18Å; R1929-E1955 HydrophobicContact CG-CB 4.41Å; E1955-V1957 HydrophobicContact CG-CG1 4Å; E1955-R1965 IonicContact OE1-CZ 3.25Å; E1955-R1965 VanDerWaalsContact OE1-CZ 3.25Å; E1955-R1965 IonicContact OE1-NH1 2.77Å; E1955-R1965 PolarHBondContact OE1-NH1 2.97Å; E1955-R1965 IonicContact OE1-NH2 2.78Å; E1955-R1965 PolarHBondContact OE1-NH2 3.09Å; E1955-R1965 IonicContact OE2-NH1 3.36Å; E1955-R1965 PolarHBondContact OE2-NH1 2.68Å; E1955-R1965 IonicContact OE2-NH2 3.92Å |
| 1956 | L | 89.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.6 | 172.9 | -171.1 | 76.8 | 0 | 0 | 0 | 109.5 | Y1777 L1779 F1840 L1924 F1925 R1928 | Y1777-L1956 HydrophobicContact CD1-CD1 4.3Å; Y1777-L1956 HydrophobicContact CD1-CD2 3.81Å; Y1777-L1956 HydrophobicContact CD1-CG 3.87Å; Y1777-L1956 HydrophobicContact CE1-CD2 4.13Å; L1779-L1956 HydrophobicContact CB-CD1 4.16Å; L1779-L1956 HydrophobicContact CD1-CD1 4.44Å; F1840-L1956 HydrophobicContact CE1-CD1 3.75Å; F1840-L1956 HydrophobicContact CZ-CD1 3.67Å; L1924-L1956 HydrophobicContact CD2-CB 4.23Å; L1924-L1956 HydrophobicContact CG-CB 4.21Å; F1925-L1956 HydrophobicContact CB-CD2 4.39Å; F1925-L1956 HydrophobicContact CD1-CD2 3.21Å; F1925-L1956 HydrophobicContact CE1-CD2 3.55Å; F1925-L1956 HydrophobicContact CG-CD2 3.94Å; R1928-L1956 PolarHBondContact O-N 3.04Å |
| 1957 | V | 88.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 150.8 | 177.8 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | Y1777 I1778 E1955 E1961 A1962 R1965 | Y1777-V1957 CarbonylContact C-O 3.05Å; Y1777-V1957 WeakPolarHBondContact CA-O 3.28Å; I1778-V1957 HydrophobicContact CB-CG2 3.99Å; I1778-V1957 PolarHBondContact N-O 2.99Å; I1778-V1957 WeakPolarHBondContact O-CG2 3.14Å; I1778-V1957 PolarHBondContact O-N 3.41Å; I1778-V1957 VanDerWaalsContact O-N 3.12Å; E1955-V1957 HydrophobicContact CG-CG1 4Å; V1957-E1961 HydrophobicContact CB-CB 4.02Å; V1957-A1962 HydrophobicContact CG2-CB 3.78Å; V1957-R1965 VanDerWaalsContact CG1-NH2 3.25Å |
| 1958 | T | 85.3 | Confident | 88 | Confident | 29 Ų | 29 | 38 Ų | 38 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 162.4 | 165.6 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | Y1777 A1960 E1961 A1962 | Y1777-T1958 HydrophobicContact CD1-CG2 4.17Å; Y1777-T1958 HydrophobicContact CE1-CG2 3.73Å; T1958-A1960 VanDerWaalsContact C-N 3.33Å; T1958-A1960 PolarHBondContact O-N 3.35Å; T1958-E1961 PolarHBondContact N-OE2 2.85Å; T1958-E1961 PolarHBondContact O-N 3.16Å; T1958-E1961 VanDerWaalsContact O-N 3.12Å; T1958-E1961 WeakPolarHBondContact OG1-CB 3.08Å; T1958-E1961 VanDerWaalsContact OG1-CD 3.26Å; T1958-E1961 VanDerWaalsContact OG1-CG 3.29Å; T1958-E1961 WeakPolarHBondContact OG1-CG 3.5Å; T1958-E1961 PolarHBondContact OG1-N 3.25Å; T1958-A1962 WeakPolarHBondContact O-CB 3.27Å; T1958-A1962 PolarHBondContact O-N 2.9Å |
| 1959 | K | 84.3 | Confident | 88 | Confident | 89 Ų | 89 | 41.9 Ų | 41.9 | 39% | 0.387 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -50.8 | -50.2 | 173.5 | -169.2 | -172.7 | -159.7 | 151.8 | 0 | 112.6 | E1776 E1961 A1962 D1963 | E1776-K1959 HydrophobicContact CB-CB 3.81Å; E1776-K1959 HydrophobicContact CB-CD 4.21Å; E1776-K1959 HydrophobicContact CB-CG 4.46Å; E1776-K1959 PolarHBondContact O-N 2.99Å; E1776-K1959 IonicContact OE1-NZ 2.66Å; E1776-K1959 PolarHBondContact OE1-NZ 2.97Å; E1776-K1959 VanDerWaalsContact OE2-CD 3.25Å; E1776-K1959 WeakPolarHBondContact OE2-CD 3.16Å; E1776-K1959 WeakPolarHBondContact OE2-CE 3.27Å; E1776-K1959 IonicContact OE2-NZ 3.72Å; E1776-K1959 PolarHBondContact OE2-NZ 2.84Å; K1959-E1961 VanDerWaalsContact C-N 3.3Å; K1959-E1961 PolarHBondContact O-N 2.86Å; K1959-A1962 CarbonylContact O-C 3.4Å; K1959-A1962 WeakPolarHBondContact O-CA 3.43Å; K1959-A1962 VanDerWaalsContact O-CB 3.32Å; K1959-A1962 WeakPolarHBondContact O-CB 3.05Å; K1959-A1962 PolarHBondContact O-N 2.82Å; K1959-D1963 VanDerWaalsContact O-CG 3.27Å; K1959-D1963 PolarHBondContact O-N 2.84Å |
| 1960 | A | 81.2 | Confident | 87.8 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 53% | 0.529 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.4 | -35.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1958 L1964 | T1958-A1960 VanDerWaalsContact C-N 3.33Å; T1958-A1960 PolarHBondContact O-N 3.35Å; A1960-L1964 WeakPolarHBondContact O-CD1 3.47Å; A1960-L1964 WeakPolarHBondContact O-CG 3.24Å; A1960-L1964 PolarHBondContact O-N 2.81Å |
| 1961 | E | 85.5 | Confident | 87.5 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.4 | -29.1 | 173.2 | -72.8 | 164.3 | -174.1 | 0 | 0 | 112.7 | R1928 V1957 T1958 K1959 R1965 | R1928-E1961 IonicContact CZ-OE1 3.67Å; R1928-E1961 IonicContact NH1-OE1 3.94Å; R1928-E1961 PolarHBondContact NH1-OE1 2.84Å; R1928-E1961 IonicContact NH1-OE2 3.9Å; R1928-E1961 PolarHBondContact NH1-OE2 2.77Å; R1928-E1961 IonicContact NH2-OE1 3.74Å; V1957-E1961 HydrophobicContact CB-CB 4.02Å; T1958-E1961 PolarHBondContact N-OE2 2.85Å; T1958-E1961 PolarHBondContact O-N 3.16Å; T1958-E1961 VanDerWaalsContact O-N 3.12Å; T1958-E1961 WeakPolarHBondContact OG1-CB 3.08Å; T1958-E1961 VanDerWaalsContact OG1-CD 3.26Å; T1958-E1961 VanDerWaalsContact OG1-CG 3.29Å; T1958-E1961 WeakPolarHBondContact OG1-CG 3.5Å; T1958-E1961 PolarHBondContact OG1-N 3.25Å; K1959-E1961 VanDerWaalsContact C-N 3.3Å; K1959-E1961 PolarHBondContact O-N 2.86Å; E1961-R1965 PolarHBondContact O-N 2.9Å |
| 1962 | A | 84.4 | Confident | 87.2 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.8 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1778 R1780 V1957 T1958 K1959 L1964 R1965 P1966 | I1778-A1962 HydrophobicContact CD1-CB 3.65Å; I1778-A1962 HydrophobicContact CG1-CB 4.27Å; R1780-A1962 VanDerWaalsContact NH2-CA 3.33Å; V1957-A1962 HydrophobicContact CG2-CB 3.78Å; T1958-A1962 WeakPolarHBondContact O-CB 3.27Å; T1958-A1962 PolarHBondContact O-N 2.9Å; K1959-A1962 CarbonylContact O-C 3.4Å; K1959-A1962 WeakPolarHBondContact O-CA 3.43Å; K1959-A1962 VanDerWaalsContact O-CB 3.32Å; K1959-A1962 WeakPolarHBondContact O-CB 3.05Å; K1959-A1962 PolarHBondContact O-N 2.82Å; A1962-L1964 VanDerWaalsContact C-N 3.3Å; A1962-L1964 PolarHBondContact O-N 2.88Å; A1962-R1965 CarbonylContact O-C 3.58Å; A1962-R1965 PolarHBondContact O-N 2.88Å; A1962-P1966 VanDerWaalsContact O-CA 3.27Å; A1962-P1966 WeakPolarHBondContact O-CA 3.5Å |
| 1963 | D | 81.6 | Confident | 86.5 | Confident | 116 Ų | 116 | 55.3 Ų | 55.3 | 62% | 0.62 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.7 | -36.4 | 174.3 | -62.1 | -31.3 | 0 | 0 | 0 | 111.2 | K1959 | K1959-D1963 VanDerWaalsContact O-CG 3.27Å; K1959-D1963 PolarHBondContact O-N 2.84Å |
| 1964 | L | 83 | Confident | 86.1 | Confident | 146 Ų | 146 | 57 Ų | 57 | 76% | 0.764 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -73.7 | -28.1 | 173.9 | -74.9 | 169 | 0 | 0 | 0 | 114 | A1960 A1962 | A1960-L1964 WeakPolarHBondContact O-CD1 3.47Å; A1960-L1964 WeakPolarHBondContact O-CG 3.24Å; A1960-L1964 PolarHBondContact O-N 2.81Å; A1962-L1964 VanDerWaalsContact C-N 3.3Å; A1962-L1964 PolarHBondContact O-N 2.88Å |
| 1965 | R | 87.9 | Confident | 85.8 | Confident | 80 Ų | 80 | 57.9 Ų | 57.9 | 30% | 0.302 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -129.5 | 66.7 | -179.7 | -64.8 | -169.1 | -63.8 | 136.5 | -8.4 | 110 | R1780 E1955 V1957 E1961 A1962 N1977 | R1780-R1965 PolarHBondContact NH1-O 3.4Å; R1780-R1965 PolarHBondContact NH2-O 2.97Å; E1955-R1965 IonicContact OE1-CZ 3.25Å; E1955-R1965 VanDerWaalsContact OE1-CZ 3.25Å; E1955-R1965 IonicContact OE1-NH1 2.77Å; E1955-R1965 PolarHBondContact OE1-NH1 2.97Å; E1955-R1965 IonicContact OE1-NH2 2.78Å; E1955-R1965 PolarHBondContact OE1-NH2 3.09Å; E1955-R1965 IonicContact OE2-NH1 3.36Å; E1955-R1965 PolarHBondContact OE2-NH1 2.68Å; E1955-R1965 IonicContact OE2-NH2 3.92Å; V1957-R1965 VanDerWaalsContact CG1-NH2 3.25Å; E1961-R1965 PolarHBondContact O-N 2.9Å; A1962-R1965 CarbonylContact O-C 3.58Å; A1962-R1965 PolarHBondContact O-N 2.88Å; R1965-N1977 HydrophobicContact CB-CB 4.48Å |
| 1966 | P | 84 | Confident | 85.2 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | trans | -62.9 | 150 | -174.2 | 28.9 | -36.8 | 0 | 0 | 0 | 110.9 | A1962 P1974 N1977 | A1962-P1966 VanDerWaalsContact O-CA 3.27Å; A1962-P1966 WeakPolarHBondContact O-CA 3.5Å; P1966-P1974 HydrophobicContact CB-CG 3.84Å; P1966-P1974 HydrophobicContact CG-CG 4.21Å; P1966-N1977 PolarHBondContact O-ND2 2.65Å | ||
| 1967 | A | 85.5 | Confident | 84.8 | Confident | 18 Ų | 18 | 65 Ų | 65 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | trans | -149.3 | 114.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1968 | G | 86.1 | Confident | 84.5 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | trans | -63.6 | 161.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1835 P1974 | R1835-G1968 WeakPolarHBondContact CD-O 3.21Å; R1835-G1968 VanDerWaalsContact NH1-N 3.16Å; R1835-G1968 PolarHBondContact NH1-O 2.94Å; G1968-P1974 PolarHBondContact N-O 3.19Å | ||
| 1969 | K | 88.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 35% | 0.348 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -72 | 159.5 | 168.5 | -73.7 | -172.9 | 174.3 | -170.9 | 0 | 109.6 | D1815 Q1817 V1837 R1971 E1972 | D1815-K1969 IonicContact OD1-NZ 2.69Å; D1815-K1969 PolarHBondContact OD1-NZ 3.11Å; D1815-K1969 IonicContact OD2-NZ 2.93Å; D1815-K1969 PolarHBondContact OD2-NZ 2.81Å; Q1817-K1969 VanDerWaalsContact NE2-CE 3.28Å; V1837-K1969 HydrophobicContact CB-CG 4.07Å; V1837-K1969 HydrophobicContact CG2-CG 4.15Å; K1969-R1971 PolarHBondContact O-N 2.85Å; K1969-E1972 WeakPolarHBondContact O-CB 3.44Å; K1969-E1972 PolarHBondContact O-N 2.81Å |
| 1970 | A | 89 | Confident | 84.6 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | 55.4 | -108.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1834 R1835 L1980 | W1834-A1970 HydrophobicContact CD2-CB 3.84Å; W1834-A1970 HydrophobicContact CE3-CB 4.2Å; W1834-A1970 HydrophobicContact CH2-CB 3.64Å; W1834-A1970 HydrophobicContact CZ2-CB 3.24Å; W1834-A1970 HydrophobicContact CZ3-CB 4.09Å; R1835-A1970 WeakPolarHBondContact CB-O 3.22Å; R1835-A1970 PolarHBondContact N-O 2.82Å; R1835-A1970 WeakPolarHBondContact O-CA 3.45Å; R1835-A1970 PolarHBondContact O-N 2.74Å; A1970-L1980 WeakPolarHBondContact O-CD1 3.34Å |
| 1971 | R | 87.6 | Confident | 84.8 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 16.8 | 174.2 | -74 | 173.8 | -89.4 | 154.2 | -14.9 | 110.8 | D1820 N1833 K1969 N1975 L1980 | D1820-R1971 IonicContact OD1-NH2 2.98Å; D1820-R1971 PolarHBondContact OD1-NH2 3.41Å; D1820-R1971 IonicContact OD2-NH2 2.73Å; D1820-R1971 PolarHBondContact OD2-NH2 3.16Å; N1833-R1971 WeakPolarHBondContact O-CG 3.29Å; K1969-R1971 PolarHBondContact O-N 2.85Å; R1971-N1975 PolarHBondContact O-ND2 3.44Å; R1971-L1980 HydrophobicContact CG-CB 4.04Å |
| 1972 | E | 86.7 | Confident | 84.6 | Confident | 129 Ų | 129 | 71 Ų | 71 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | trans | -79.8 | 162.1 | -177 | -59.8 | -179.9 | 160.3 | 0 | 0 | 111.4 | K1969 P1974 N1975 | K1969-E1972 WeakPolarHBondContact O-CB 3.44Å; K1969-E1972 PolarHBondContact O-N 2.81Å; E1972-P1974 CarbonylContact O-C 3.56Å; E1972-N1975 PolarHBondContact O-N 3.02Å | ||
| 1973 | D | 80.5 | Confident | 84.6 | Confident | 148 Ų | 148 | 71.8 Ų | 71.8 | 79% | 0.791 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -73.5 | 141.2 | 179.4 | -77.6 | -46 | 0 | 0 | 0 | 112.9 | N1975 | D1973-N1975 PolarHBondContact OD1-N 2.86Š|
| 1974 | P | 82.9 | Confident | 84.4 | Confident | 57 Ų | 57 | 74 Ų | 74 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | S | Bend | cis | -76.9 | 114.7 | -0.1 | 27.9 | -30.6 | 0 | 0 | 0 | 112.4 | P1966 G1968 E1972 E1976 | P1966-P1974 HydrophobicContact CB-CG 3.84Å; P1966-P1974 HydrophobicContact CG-CG 4.21Å; G1968-P1974 PolarHBondContact N-O 3.19Å; E1972-P1974 CarbonylContact O-C 3.56Å; P1974-E1976 PolarHBondContact O-N 3.47Å |
| 1975 | N | 86.4 | Confident | 84.3 | Confident | 18 Ų | 18 | 70 Ų | 70 | 10% | 0.096 | 35% | 0.352 | C | S | . | . | trans | -85.4 | 61 | 179 | -172.3 | 1.9 | 0 | 0 | 0 | 109.9 | R1971 E1972 D1973 H1979 L1980 | R1971-N1975 PolarHBondContact O-ND2 3.44Å; E1972-N1975 PolarHBondContact O-N 3.02Å; D1973-N1975 PolarHBondContact OD1-N 2.86Å; N1975-H1979 WeakPolarHBondContact O-CA 2.99Å; N1975-H1979 PolarHBondContact O-ND1 3.34Å; N1975-L1980 PolarHBondContact ND2-O 3.28Å; N1975-L1980 PolarHBondContact OD1-N 3.35Å | ||
| 1976 | E | 80.3 | Confident | 83.5 | Confident | 126 Ų | 126 | 69.3 Ų | 69.3 | 59% | 0.589 | 36% | 0.359 | S | S | * | . | trans | -125.9 | 173.6 | 171.8 | -65.6 | -162.2 | 162.3 | 0 | 0 | 110.1 | R1835 P1974 | R1835-E1976 PolarHBondContact NH1-O 2.96Å; R1835-E1976 PolarHBondContact NH2-O 3Å; P1974-E1976 PolarHBondContact O-N 3.47Å | ||
| 1977 | N | 81.3 | Confident | 82.8 | Confident | 48 Ų | 48 | 72.4 Ų | 72.4 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 57.2 | 58 | 172.5 | -55.4 | -67.5 | 0 | 0 | 0 | 115.9 | R1965 P1966 | R1965-N1977 HydrophobicContact CB-CB 4.48Å; P1966-N1977 PolarHBondContact O-ND2 2.65Å |
| 1978 | P | 81.5 | Confident | 81.8 | Confident | 38 Ų | 38 | 73.8 Ų | 73.8 | 25% | 0.247 | 37% | 0.374 | C | S | . | . | S | Bend | cis | -93.7 | 157.7 | -4.5 | 36.6 | -33.6 | 0 | 0 | 0 | 112 | V1782 W1784 R1835 L1980 | V1782-P1978 HydrophobicContact CG2-CG 4.25Å; W1784-P1978 HydrophobicContact CZ2-CG 4.4Å; R1835-P1978 PolarHBondContact NH2-O 3.14Å; P1978-L1980 HydrophobicContact CG-CD2 4.19Å; P1978-L1980 PolarHBondContact O-N 2.84Å |
| 1979 | H | 83.6 | Confident | 80.8 | Confident | 128 Ų | 128 | 74.3 Ų | 74.3 | 59% | 0.593 | 38% | 0.376 | S | S | * | . | trans | -64.1 | 125.1 | 173.5 | -175.7 | 73.3 | 0 | 0 | 0 | 111.1 | N1975 | N1975-H1979 WeakPolarHBondContact O-CA 2.99Å; N1975-H1979 PolarHBondContact O-ND1 3.34Å | ||
| 1980 | L | 88.4 | Confident | 79.8 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | trans | -104.9 | 102.2 | -177.2 | -63 | 177 | 0 | 0 | 0 | 110.7 | V1782 W1784 R1835 A1970 R1971 N1975 P1978 | V1782-L1980 HydrophobicContact CG1-CD1 4.34Å; V1782-L1980 HydrophobicContact CG1-CD2 3.75Å; W1784-L1980 HydrophobicContact CH2-CD2 3.63Å; W1784-L1980 HydrophobicContact CZ2-CD2 4.19Å; W1784-L1980 HydrophobicContact CZ3-CD2 3.96Å; R1835-L1980 HydrophobicContact CB-CD1 3.83Å; A1970-L1980 WeakPolarHBondContact O-CD1 3.34Å; R1971-L1980 HydrophobicContact CG-CB 4.04Å; N1975-L1980 PolarHBondContact ND2-O 3.28Å; N1975-L1980 PolarHBondContact OD1-N 3.35Å; P1978-L1980 HydrophobicContact CG-CD2 4.19Å; P1978-L1980 PolarHBondContact O-N 2.84Å | ||
| 1981 | E | 85 | Confident | 78.8 | Confident | 103 Ų | 103 | 72.4 Ų | 72.4 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 148.1 | 167.5 | -71.4 | -174.6 | -178 | 0 | 0 | 110.6 | N1833 K1984 | N1833-E1981 WeakPolarHBondContact CB-O 3.5Å; N1833-E1981 PolarHBondContact ND2-O 3.44Å; E1981-K1984 IonicContact OE2-NZ 3.06Å; E1981-K1984 PolarHBondContact OE2-NZ 3.22Å |
| 1982 | P | 81.9 | Confident | 77.5 | Confident | 94 Ų | 94 | 75.2 Ų | 75.2 | 61% | 0.61 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 140.5 | 167.3 | -24.8 | 34.4 | 0 | 0 | 0 | 112.1 | K1984 | P1982-K1984 PolarHBondContact O-N 3.11Š|
| 1983 | P | 83.9 | Confident | 76.5 | Confident | 21 Ų | 21 | 75.9 Ų | 75.9 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -66 | 136.1 | -173.6 | 25.5 | -33.9 | 0 | 0 | 0 | 112.1 | N1831 R1985 | N1831-P1983 HydrophobicContact CB-CB 4.18Å; N1831-P1983 VanDerWaalsContact O-CB 3.31Å; N1831-P1983 WeakPolarHBondContact O-CB 3.47Å; P1983-R1985 VanDerWaalsContact C-N 3.29Å; P1983-R1985 HydrophobicContact CB-CG 4.25Å; P1983-R1985 HydrophobicContact CG-CG 4.4Å; P1983-R1985 PolarHBondContact O-N 2.87Å |
| 1984 | K | 78.2 | Confident | 75.7 | Confident | 164 Ų | 164 | 73 Ų | 73 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | trans | -77.2 | 79.7 | 176.9 | -69.9 | 170.6 | -173.6 | 154 | 0 | 109.6 | N1831 E1981 P1982 | N1831-K1984 PolarHBondContact ND2-O 2.83Å; E1981-K1984 IonicContact OE2-NZ 3.06Å; E1981-K1984 PolarHBondContact OE2-NZ 3.22Å; P1982-K1984 PolarHBondContact O-N 3.11Å | ||
| 1985 | R | 81.2 | Confident | 74.9 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 23% | 0.226 | 36% | 0.359 | C | S | . | . | trans | -89.3 | 149 | 175.3 | -62.1 | -178.3 | -179.1 | 145.4 | 10.7 | 110.8 | D1820 V1821 N1831 P1983 | D1820-R1985 IonicContact OD1-CZ 2.69Å; D1820-R1985 IonicContact OD1-NH2 2.72Å; D1820-R1985 PolarHBondContact OD1-NH2 3.09Å; D1820-R1985 IonicContact OD2-CZ 3.11Å; D1820-R1985 VanDerWaalsContact OD2-CZ 3.31Å; D1820-R1985 IonicContact OD2-NH1 2.68Å; D1820-R1985 PolarHBondContact OD2-NH1 2.88Å; D1820-R1985 IonicContact OD2-NH2 3.66Å; D1820-R1985 PolarHBondContact OD2-NH2 2.86Å; V1821-R1985 PolarHBondContact O-NH1 2.91Å; N1831-R1985 HydrophobicContact CB-CG 4.28Å; N1831-R1985 PolarHBondContact O-NE 2.87Å; N1831-R1985 PolarHBondContact O-NH2 2.83Å; P1983-R1985 VanDerWaalsContact C-N 3.29Å; P1983-R1985 HydrophobicContact CB-CG 4.25Å; P1983-R1985 HydrophobicContact CG-CG 4.4Å; P1983-R1985 PolarHBondContact O-N 2.87Å | ||
| 1986 | P | 71.8 | Confident | 73.8 | Confident | 67 Ų | 67 | 75 Ų | 75 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | trans | -52.4 | 150.4 | 171.8 | -28.3 | 35.9 | 0 | 0 | 0 | 113.1 | H1822 T1988 S1989 | H1822-P1986 VanDerWaalsContact NE2-CD 3.33Å; H1822-P1986 WeakPolarHBondContact NE2-CD 3.44Å; P1986-T1988 WeakPolarHBondContact CB-OG1 3.34Å; P1986-T1988 PolarHBondContact O-N 2.82Å; P1986-S1989 WeakPolarHBondContact O-CB 3.31Å; P1986-S1989 PolarHBondContact O-N 2.85Å | ||
| 1987 | E | 68.1 | Low | 73.2 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 60% | 0.598 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13 | 174.5 | -71.4 | -161.3 | 137.6 | 0 | 0 | 113.6 | F1990 F2002 | E1987-F1990 WeakPolarHBondContact O-CD1 3.37Å; E1987-F1990 WeakPolarHBondContact O-CE1 2.94Å; E1987-F2002 HydrophobicContact CB-CE2 4.35Å; E1987-F2002 HydrophobicContact CB-CZ 4.07Å; E1987-F2002 WeakPolarHBondContact OE2-CZ 3.4Å |
| 1988 | T | 65.6 | Low | 72.3 | Confident | 48 Ų | 48 | 81.5 Ų | 81.5 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -12 | 173.6 | 46 | 0 | 0 | 0 | 0 | 115 | P1986 F1990 F2002 | P1986-T1988 WeakPolarHBondContact CB-OG1 3.34Å; P1986-T1988 PolarHBondContact O-N 2.82Å; T1988-F1990 VanDerWaalsContact C-CD1 3.49Å; T1988-F1990 WeakPolarHBondContact O-CD1 3.34Å; T1988-F1990 PolarHBondContact O-N 2.86Å; T1988-F1990 VanDerWaalsContact O-N 3.14Å; T1988-F2002 HydrophobicContact CG2-CB 4.05Å; T1988-F2002 HydrophobicContact CG2-CG 4.36Å |
| 1989 | S | 65.1 | Low | 71.4 | Confident | 22 Ų | 22 | 80.5 Ų | 80.5 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | trans | -85.7 | 82.9 | -178 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | H1822 Y1823 P1986 | H1822-S1989 PolarHBondContact CD2-OG 3.37Å; H1822-S1989 WeakPolarHBondContact NE2-CB 3.46Å; H1822-S1989 PolarHBondContact NE2-OG 3.04Å; Y1823-S1989 VanDerWaalsContact O-CA 3.25Å; Y1823-S1989 WeakPolarHBondContact O-CA 3.47Å; Y1823-S1989 WeakPolarHBondContact O-CB 3.3Å; Y1823-S1989 PolarHBondContact O-OG 2.96Å; P1986-S1989 WeakPolarHBondContact O-CB 3.31Å; P1986-S1989 PolarHBondContact O-N 2.85Å | ||
| 1990 | F | 67.6 | Low | 70.5 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 7% | 0.07 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -152.6 | 153.6 | 177.8 | 55.8 | -97.7 | 0 | 0 | 0 | 110.2 | E1987 T1988 W1992 S1995 K1998 T1999 F2002 I2003 | E1987-F1990 WeakPolarHBondContact O-CD1 3.37Å; E1987-F1990 WeakPolarHBondContact O-CE1 2.94Å; T1988-F1990 VanDerWaalsContact C-CD1 3.49Å; T1988-F1990 WeakPolarHBondContact O-CD1 3.34Å; T1988-F1990 PolarHBondContact O-N 2.86Å; T1988-F1990 VanDerWaalsContact O-N 3.14Å; F1990-W1992 PolarHBondContact O-N 2.77Å; F1990-W1992 VanDerWaalsContact O-N 3.17Å; F1990-S1995 WeakPolarHBondContact CD2-OG 3.47Å; F1990-S1995 WeakPolarHBondContact CG-OG 3.47Å; F1990-K1998 HydrophobicContact CD1-CB 4.12Å; F1990-K1998 HydrophobicContact CD1-CD 3.71Å; F1990-K1998 HydrophobicContact CD2-CB 4.4Å; F1990-K1998 HydrophobicContact CE1-CB 3.5Å; F1990-K1998 VanDerWaalsContact CE1-CB 3.5Å; F1990-K1998 HydrophobicContact CE1-CD 3.86Å; F1990-K1998 HydrophobicContact CE1-CG 4.32Å; F1990-K1998 HydrophobicContact CE2-CB 3.87Å; F1990-K1998 HydrophobicContact CG-CD 4.23Å; F1990-K1998 HydrophobicContact CZ-CB 3.38Å; F1990-T1999 WeakPolarHBondContact CE2-OG1 3.42Å; F1990-F2002 HydrophobicContact CE1-CD2 4.33Å; F1990-I2003 HydrophobicContact CZ-CD1 4.47Å |
| 1991 | L | 66.5 | Low | 69.4 | Low | 33 Ų | 33 | 83.6 Ų | 83.6 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | trans | -60.2 | 118.5 | 166.3 | -111 | 92.9 | 0 | 0 | 0 | 109.6 | Y1823 L1880 F1993 T1994 | Y1823-L1991 HydrophobicContact CD1-CD1 3.63Å; Y1823-L1991 HydrophobicContact CD2-CD1 3.9Å; Y1823-L1991 HydrophobicContact CE1-CD1 3.28Å; Y1823-L1991 HydrophobicContact CE1-CG 4.42Å; Y1823-L1991 HydrophobicContact CE2-CD1 3.5Å; Y1823-L1991 HydrophobicContact CG-CD1 3.97Å; L1880-L1991 HydrophobicContact CD1-CD2 4Å; L1880-L1991 HydrophobicContact CD2-CD2 4.06Å; L1991-F1993 HydrophobicContact CD2-CD1 4.14Å; L1991-F1993 PolarHBondContact O-N 2.8Å; L1991-F1993 VanDerWaalsContact O-N 3.12Å; L1991-T1994 HydrophobicContact CB-CG2 3.78Å; L1991-T1994 WeakPolarHBondContact CB-OG1 3.5Å; L1991-T1994 HydrophobicContact CD2-CG2 4.05Å; L1991-T1994 PolarHBondContact O-N 2.83Å; L1991-T1994 PolarHBondContact O-OG1 2.66Å | ||
| 1992 | W | 61.8 | Low | 68.3 | Low | 129 Ų | 129 | 81 Ų | 81 | 49% | 0.489 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.6 | -175.3 | 71.4 | -88.3 | 0 | 0 | 0 | 113.5 | F1990 T1999 I2003 | F1990-W1992 PolarHBondContact O-N 2.77Å; F1990-W1992 VanDerWaalsContact O-N 3.17Å; W1992-T1999 WeakPolarHBondContact CA-OG1 3.5Å; W1992-T1999 HydrophobicContact CE3-CG2 4.44Å; W1992-T1999 PolarHBondContact O-OG1 2.82Å; W1992-I2003 HydrophobicContact CB-CD1 4.47Å |
| 1993 | F | 65.6 | Low | 67.4 | Low | 144 Ų | 144 | 78.1 Ų | 78.1 | 63% | 0.632 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -39.8 | 173 | 147.4 | -107.9 | 0 | 0 | 0 | 113.1 | L1991 S1995 | L1991-F1993 HydrophobicContact CD2-CD1 4.14Å; L1991-F1993 PolarHBondContact O-N 2.8Å; L1991-F1993 VanDerWaalsContact O-N 3.12Å; F1993-S1995 PolarHBondContact O-N 3.22Å |
| 1994 | T | 63.4 | Low | 66.5 | Low | 88 Ų | 88 | 80.2 Ų | 80.2 | 54% | 0.54 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -17.4 | -171.1 | 61 | 0 | 0 | 0 | 0 | 113.9 | L1991 | L1991-T1994 HydrophobicContact CB-CG2 3.78Å; L1991-T1994 WeakPolarHBondContact CB-OG1 3.5Å; L1991-T1994 HydrophobicContact CD2-CG2 4.05Å; L1991-T1994 PolarHBondContact O-N 2.83Å; L1991-T1994 PolarHBondContact O-OG1 2.66Å |
| 1995 | S | 64.9 | Low | 65.8 | Low | 28 Ų | 28 | 76.8 Ų | 76.8 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | trans | -136.4 | 66.3 | -177.3 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | F1990 F1993 W1997 K1998 T1999 | F1990-S1995 WeakPolarHBondContact CD2-OG 3.47Å; F1990-S1995 WeakPolarHBondContact CG-OG 3.47Å; F1993-S1995 PolarHBondContact O-N 3.22Å; S1995-W1997 PolarHBondContact O-N 2.81Å; S1995-K1998 WeakPolarHBondContact O-CB 3.26Å; S1995-K1998 PolarHBondContact O-N 3.41Å; S1995-T1999 PolarHBondContact O-N 2.96Å; S1995-T1999 VanDerWaalsContact O-N 3.08Å; S1995-T1999 PolarHBondContact O-OG1 2.96Å | ||
| 1996 | P | 64.3 | Low | 64.9 | Low | 89 Ų | 89 | 82 Ų | 82 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.3 | -27.4 | -171 | 20.7 | -33.5 | 0 | 0 | 0 | 114.7 | T1999 F2000 | P1996-T1999 WeakPolarHBondContact O-CB 3.37Å; P1996-T1999 PolarHBondContact O-N 3.37Å; P1996-F2000 PolarHBondContact O-N 2.74Å |
| 1997 | W | 67.1 | Low | 64.4 | Low | 216 Ų | 216 | 84.8 Ų | 84.8 | 82% | 0.818 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -73.2 | -34.8 | 176.1 | -137.6 | -129.3 | 0 | 0 | 0 | 113.2 | S1995 K2001 | S1995-W1997 PolarHBondContact O-N 2.81Å; W1997-K2001 WeakPolarHBondContact O-CB 3.42Å; W1997-K2001 PolarHBondContact O-N 3.08Å |
| 1998 | K | 63.6 | Low | 64.3 | Low | 94 Ų | 94 | 83.2 Ų | 83.2 | 41% | 0.409 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 169.9 | -68.4 | -170.3 | 175 | -174.8 | 0 | 110.2 | F1990 S1995 F2000 K2001 F2002 | F1990-K1998 HydrophobicContact CD1-CB 4.12Å; F1990-K1998 HydrophobicContact CD1-CD 3.71Å; F1990-K1998 HydrophobicContact CD2-CB 4.4Å; F1990-K1998 HydrophobicContact CE1-CB 3.5Å; F1990-K1998 VanDerWaalsContact CE1-CB 3.5Å; F1990-K1998 HydrophobicContact CE1-CD 3.86Å; F1990-K1998 HydrophobicContact CE1-CG 4.32Å; F1990-K1998 HydrophobicContact CE2-CB 3.87Å; F1990-K1998 HydrophobicContact CG-CD 4.23Å; F1990-K1998 HydrophobicContact CZ-CB 3.38Å; S1995-K1998 WeakPolarHBondContact O-CB 3.26Å; S1995-K1998 PolarHBondContact O-N 3.41Å; K1998-F2000 VanDerWaalsContact C-N 3.34Å; K1998-F2000 PolarHBondContact O-N 2.76Å; K1998-K2001 PolarHBondContact O-N 3.49Å; K1998-F2002 HydrophobicContact CB-CD2 4.06Å; K1998-F2002 HydrophobicContact CB-CE2 4.35Å; K1998-F2002 HydrophobicContact CG-CE2 4.36Å; K1998-F2002 WeakPolarHBondContact O-CB 3.23Å; K1998-F2002 VanDerWaalsContact O-CD2 3.31Å; K1998-F2002 WeakPolarHBondContact O-CD2 3.31Å; K1998-F2002 PolarHBondContact O-N 3.13Å |
| 1999 | T | 61.8 | Low | 64.2 | Low | 16 Ų | 16 | 85.1 Ų | 85.1 | 10% | 0.098 | 39% | 0.391 | C | S | . | . | I | π-helix | trans | -51.5 | -50.8 | 172 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | F1990 W1992 S1995 P1996 I2003 I2004 | F1990-T1999 WeakPolarHBondContact CE2-OG1 3.42Å; W1992-T1999 WeakPolarHBondContact CA-OG1 3.5Å; W1992-T1999 HydrophobicContact CE3-CG2 4.44Å; W1992-T1999 PolarHBondContact O-OG1 2.82Å; S1995-T1999 PolarHBondContact O-N 2.96Å; S1995-T1999 VanDerWaalsContact O-N 3.08Å; S1995-T1999 PolarHBondContact O-OG1 2.96Å; P1996-T1999 WeakPolarHBondContact O-CB 3.37Å; P1996-T1999 PolarHBondContact O-N 3.37Å; T1999-I2003 HydrophobicContact CG2-CD1 4.15Å; T1999-I2003 WeakPolarHBondContact O-CA 3.38Å; T1999-I2003 WeakPolarHBondContact O-CB 3.5Å; T1999-I2003 PolarHBondContact O-N 3.04Å; T1999-I2004 HydrophobicContact CG2-CD1 4.43Å; T1999-I2004 PolarHBondContact O-N 3.03Å |
| 2000 | F | 65.8 | Low | 64.4 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 32% | 0.32 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -62.5 | -50.8 | 177.3 | -175.9 | -98.9 | 0 | 0 | 0 | 112.6 | P1996 K1998 I2004 W2005 I2012 | P1996-F2000 PolarHBondContact O-N 2.74Å; K1998-F2000 VanDerWaalsContact C-N 3.34Å; K1998-F2000 PolarHBondContact O-N 2.76Å; F2000-I2004 HydrophobicContact CD2-CB 4Å; F2000-I2004 HydrophobicContact CD2-CD1 4.15Å; F2000-I2004 HydrophobicContact CD2-CG2 4.02Å; F2000-I2004 HydrophobicContact CE2-CB 4.48Å; F2000-I2004 HydrophobicContact CE2-CG2 4.07Å; F2000-I2004 PolarHBondContact O-N 2.88Å; F2000-W2005 HydrophobicContact CE1-CB 4.37Å; F2000-W2005 HydrophobicContact CE1-CD2 4.46Å; F2000-W2005 AromaticContact CE1-CE3 3.83Å; F2000-W2005 HydrophobicContact CE1-CE3 3.83Å; F2000-W2005 AromaticContact CZ-CE3 3.74Å; F2000-W2005 HydrophobicContact CZ-CE3 3.74Å; F2000-W2005 HydrophobicContact CZ-CZ3 4.34Å; F2000-W2005 VanDerWaalsContact O-CB 3.25Å; F2000-W2005 WeakPolarHBondContact O-CB 3.46Å; F2000-W2005 PolarHBondContact O-N 2.81Å; F2000-I2012 HydrophobicContact CE2-CD1 4.23Å; F2000-I2012 HydrophobicContact CZ-CD1 4.24Å |
| 2001 | K | 64.5 | Low | 64.5 | Low | 123 Ų | 123 | 97.3 Ų | 97.3 | 54% | 0.535 | 44% | 0.443 | S | S | . | . | I | π-helix | trans | -62.2 | -45.8 | -176.3 | -178.9 | -175.9 | 172.4 | -165.6 | 0 | 113.3 | W1997 K1998 | W1997-K2001 WeakPolarHBondContact O-CB 3.42Å; W1997-K2001 PolarHBondContact O-N 3.08Å; K1998-K2001 PolarHBondContact O-N 3.49Å |
| 2002 | F | 62 | Low | 64.8 | Low | 49 Ų | 49 | 97.5 Ų | 97.5 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | I | π-helix | trans | -95.7 | -29.6 | -170.2 | -65.2 | -69.7 | 0 | 0 | 0 | 114.1 | E1987 T1988 F1990 K1998 K2006 | E1987-F2002 HydrophobicContact CB-CE2 4.35Å; E1987-F2002 HydrophobicContact CB-CZ 4.07Å; E1987-F2002 WeakPolarHBondContact OE2-CZ 3.4Å; T1988-F2002 HydrophobicContact CG2-CB 4.05Å; T1988-F2002 HydrophobicContact CG2-CG 4.36Å; F1990-F2002 HydrophobicContact CE1-CD2 4.33Å; K1998-F2002 HydrophobicContact CB-CD2 4.06Å; K1998-F2002 HydrophobicContact CB-CE2 4.35Å; K1998-F2002 HydrophobicContact CG-CE2 4.36Å; K1998-F2002 WeakPolarHBondContact O-CB 3.23Å; K1998-F2002 VanDerWaalsContact O-CD2 3.31Å; K1998-F2002 WeakPolarHBondContact O-CD2 3.31Å; K1998-F2002 PolarHBondContact O-N 3.13Å; F2002-K2006 WeakPolarHBondContact O-CB 3.38Å |
| 2003 | I | 62.1 | Low | 65.4 | Low | 33 Ų | 33 | 93.6 Ų | 93.6 | 17% | 0.169 | 43% | 0.432 | C | S | . | . | I | π-helix | trans | -102.6 | -60.7 | -174.9 | -48.9 | 172.7 | 0 | 0 | 0 | 110 | T1797 R1824 F1990 W1992 T1999 | T1797-I2003 HydrophobicContact CG2-CG2 4.07Å; R1824-I2003 VanDerWaalsContact NH1-CD1 3.29Å; F1990-I2003 HydrophobicContact CZ-CD1 4.47Å; W1992-I2003 HydrophobicContact CB-CD1 4.47Å; T1999-I2003 HydrophobicContact CG2-CD1 4.15Å; T1999-I2003 WeakPolarHBondContact O-CA 3.38Å; T1999-I2003 WeakPolarHBondContact O-CB 3.5Å; T1999-I2003 PolarHBondContact O-N 3.04Å |
| 2004 | I | 64.8 | Low | 65.8 | Low | 64 Ų | 64 | 88.5 Ų | 88.5 | 33% | 0.328 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -72.9 | -54.2 | -171.3 | -56.8 | 177.6 | 0 | 0 | 0 | 111.3 | T1999 F2000 K2006 M2008 I2012 | T1999-I2004 HydrophobicContact CG2-CD1 4.43Å; T1999-I2004 PolarHBondContact O-N 3.03Å; F2000-I2004 HydrophobicContact CD2-CB 4Å; F2000-I2004 HydrophobicContact CD2-CD1 4.15Å; F2000-I2004 HydrophobicContact CD2-CG2 4.02Å; F2000-I2004 HydrophobicContact CE2-CB 4.48Å; F2000-I2004 HydrophobicContact CE2-CG2 4.07Å; F2000-I2004 PolarHBondContact O-N 2.88Å; I2004-K2006 VanDerWaalsContact C-N 3.34Å; I2004-K2006 PolarHBondContact O-N 2.89Å; I2004-M2008 HydrophobicContact CG2-CE 3.8Å; I2004-M2008 WeakPolarHBondContact O-CB 3.44Å; I2004-M2008 PolarHBondContact O-N 3.25Å; I2004-I2012 HydrophobicContact CG2-CD1 4.27Å |
| 2005 | W | 64.5 | Low | 66.5 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 35% | 0.348 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | -175.8 | -175.8 | -101.5 | 0 | 0 | 0 | 112 | F2000 K2007 K2009 I2012 | F2000-W2005 HydrophobicContact CE1-CB 4.37Å; F2000-W2005 HydrophobicContact CE1-CD2 4.46Å; F2000-W2005 AromaticContact CE1-CE3 3.83Å; F2000-W2005 HydrophobicContact CE1-CE3 3.83Å; F2000-W2005 AromaticContact CZ-CE3 3.74Å; F2000-W2005 HydrophobicContact CZ-CE3 3.74Å; F2000-W2005 HydrophobicContact CZ-CZ3 4.34Å; F2000-W2005 VanDerWaalsContact O-CB 3.25Å; F2000-W2005 WeakPolarHBondContact O-CB 3.46Å; F2000-W2005 PolarHBondContact O-N 2.81Å; W2005-K2007 VanDerWaalsContact C-N 3.32Å; W2005-K2007 PolarHBondContact O-N 2.9Å; W2005-K2009 HydrophobicContact CZ2-CD 4.45Å; W2005-K2009 HydrophobicContact CZ2-CG 4.04Å; W2005-K2009 WeakPolarHBondContact O-CA 3.39Å; W2005-K2009 VanDerWaalsContact O-CB 3.23Å; W2005-K2009 WeakPolarHBondContact O-CB 3.31Å; W2005-K2009 PolarHBondContact O-N 3.03Å; W2005-I2012 HydrophobicContact CE3-CD1 3.99Å; W2005-I2012 HydrophobicContact CE3-CG2 4.43Å; W2005-I2012 HydrophobicContact CZ3-CB 4.43Å; W2005-I2012 HydrophobicContact CZ3-CD1 4.49Å; W2005-I2012 HydrophobicContact CZ3-CG2 3.88Å |
| 2006 | K | 61.4 | Low | 67.1 | Low | 171 Ų | 171 | 92.3 Ų | 92.3 | 74% | 0.743 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.3 | -34.2 | -173.2 | -152.5 | -178.5 | -175 | -173.2 | 0 | 113.3 | F2002 I2004 | F2002-K2006 WeakPolarHBondContact O-CB 3.38Å; I2004-K2006 VanDerWaalsContact C-N 3.34Å; I2004-K2006 PolarHBondContact O-N 2.89Å |
| 2007 | K | 62.2 | Low | 67.8 | Low | 124 Ų | 124 | 92.4 Ų | 92.4 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -97.5 | -37.5 | 175.5 | -74.8 | -177.8 | 176.3 | 172.7 | 0 | 113.4 | T1797 E1799 W2005 | T1797-K2007 HydrophobicContact CG2-CD 4.42Å; E1799-K2007 VanDerWaalsContact CD-NZ 3.33Å; E1799-K2007 IonicContact OE1-NZ 2.65Å; E1799-K2007 PolarHBondContact OE1-NZ 3.04Å; E1799-K2007 IonicContact OE2-NZ 3.11Å; W2005-K2007 VanDerWaalsContact C-N 3.32Å; W2005-K2007 PolarHBondContact O-N 2.9Å |
| 2008 | M | 66.1 | Low | 68.3 | Low | 95 Ų | 95 | 89.7 Ų | 89.7 | 47% | 0.468 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -95.9 | 6.7 | -176 | -62.2 | -147.8 | -67.7 | 0 | 0 | 115.5 | I2004 W2010 V2011 I2012 | I2004-M2008 HydrophobicContact CG2-CE 3.8Å; I2004-M2008 WeakPolarHBondContact O-CB 3.44Å; I2004-M2008 PolarHBondContact O-N 3.25Å; M2008-W2010 VanDerWaalsContact C-N 3.31Å; M2008-W2010 PolarHBondContact O-N 3.05Å; M2008-W2010 VanDerWaalsContact O-N 3.12Å; M2008-V2011 HydrophobicContact CB-CB 4.44Å; M2008-V2011 WeakPolarHBondContact O-CA 3.47Å; M2008-V2011 WeakPolarHBondContact O-CB 3.27Å; M2008-V2011 PolarHBondContact O-N 2.82Å; M2008-I2012 HydrophobicContact CB-CD1 4Å; M2008-I2012 HydrophobicContact CB-CG1 4.21Å; M2008-I2012 WeakPolarHBondContact O-CG1 3.35Å; M2008-I2012 PolarHBondContact O-N 2.81Å |
| 2009 | K | 63.4 | Low | 69.1 | Low | 89 Ų | 89 | 90.3 Ų | 90.3 | 39% | 0.387 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -42.9 | -51.8 | -178.1 | -175 | 178.8 | 177.7 | -170.8 | 0 | 113.7 | W2005 I2012 I2013 | W2005-K2009 HydrophobicContact CZ2-CD 4.45Å; W2005-K2009 HydrophobicContact CZ2-CG 4.04Å; W2005-K2009 WeakPolarHBondContact O-CA 3.39Å; W2005-K2009 VanDerWaalsContact O-CB 3.23Å; W2005-K2009 WeakPolarHBondContact O-CB 3.31Å; W2005-K2009 PolarHBondContact O-N 3.03Å; K2009-I2012 PolarHBondContact O-N 3.36Å; K2009-I2013 HydrophobicContact CD-CD1 4.39Å; K2009-I2013 HydrophobicContact CG-CD1 3.72Å; K2009-I2013 HydrophobicContact CG-CG1 4.49Å; K2009-I2013 WeakPolarHBondContact O-CB 2.88Å; K2009-I2013 VanDerWaalsContact O-CG1 3.25Å; K2009-I2013 WeakPolarHBondContact O-CG1 3.09Å; K2009-I2013 PolarHBondContact O-N 2.84Å |
| 2010 | W | 68.8 | Low | 69.9 | Low | 201 Ų | 201 | 94.2 Ų | 94.2 | 76% | 0.761 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.6 | -32.2 | -177.3 | -68.4 | 112.4 | 0 | 0 | 0 | 113.3 | M2008 G2014 | M2008-W2010 VanDerWaalsContact C-N 3.31Å; M2008-W2010 PolarHBondContact O-N 3.05Å; M2008-W2010 VanDerWaalsContact O-N 3.12Å; W2010-G2014 PolarHBondContact O-N 2.88Å |
| 2011 | V | 70.8 | Confident | 70.5 | Confident | 93 Ų | 93 | 95 Ų | 95 | 56% | 0.564 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.1 | -46.4 | 172.8 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | M2008 G2014 L2015 | M2008-V2011 HydrophobicContact CB-CB 4.44Å; M2008-V2011 WeakPolarHBondContact O-CA 3.47Å; M2008-V2011 WeakPolarHBondContact O-CB 3.27Å; M2008-V2011 PolarHBondContact O-N 2.82Å; V2011-G2014 PolarHBondContact O-N 2.93Å; V2011-L2015 WeakPolarHBondContact O-CB 3.3Å; V2011-L2015 PolarHBondContact O-N 2.68Å |
| 2012 | I | 71.5 | Confident | 71.3 | Confident | 37 Ų | 37 | 90.7 Ų | 90.7 | 19% | 0.19 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 179.1 | -62.6 | 164.3 | 0 | 0 | 0 | 111.1 | F2000 I2004 W2005 M2008 K2009 L2015 L2016 | F2000-I2012 HydrophobicContact CE2-CD1 4.23Å; F2000-I2012 HydrophobicContact CZ-CD1 4.24Å; I2004-I2012 HydrophobicContact CG2-CD1 4.27Å; W2005-I2012 HydrophobicContact CE3-CD1 3.99Å; W2005-I2012 HydrophobicContact CE3-CG2 4.43Å; W2005-I2012 HydrophobicContact CZ3-CB 4.43Å; W2005-I2012 HydrophobicContact CZ3-CD1 4.49Å; W2005-I2012 HydrophobicContact CZ3-CG2 3.88Å; M2008-I2012 HydrophobicContact CB-CD1 4Å; M2008-I2012 HydrophobicContact CB-CG1 4.21Å; M2008-I2012 WeakPolarHBondContact O-CG1 3.35Å; M2008-I2012 PolarHBondContact O-N 2.81Å; K2009-I2012 PolarHBondContact O-N 3.36Å; I2012-L2015 PolarHBondContact O-N 3.13Å; I2012-L2016 HydrophobicContact CG2-CD1 4.39Å; I2012-L2016 PolarHBondContact O-N 2.85Å |
| 2013 | I | 74.7 | Confident | 72.1 | Confident | 46 Ų | 46 | 93.5 Ų | 93.5 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.3 | -70.2 | 171.5 | 0 | 0 | 0 | 110.8 | K2009 L2015 L2016 I2017 | K2009-I2013 HydrophobicContact CD-CD1 4.39Å; K2009-I2013 HydrophobicContact CG-CD1 3.72Å; K2009-I2013 HydrophobicContact CG-CG1 4.49Å; K2009-I2013 WeakPolarHBondContact O-CB 2.88Å; K2009-I2013 VanDerWaalsContact O-CG1 3.25Å; K2009-I2013 WeakPolarHBondContact O-CG1 3.09Å; K2009-I2013 PolarHBondContact O-N 2.84Å; I2013-L2015 PolarHBondContact O-N 2.86Å; I2013-L2016 PolarHBondContact O-N 2.84Å; I2013-I2017 HydrophobicContact CG2-CD1 3.75Å; I2013-I2017 HydrophobicContact CG2-CG1 4.36Å; I2013-I2017 WeakPolarHBondContact O-CG1 3.39Å; I2013-I2017 PolarHBondContact O-N 3.38Å |
| 2014 | G | 74.4 | Confident | 72.8 | Confident | 37 Ų | 37 | 97 Ų | 97 | 38% | 0.381 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W2010 V2011 I2017 F2018 | W2010-G2014 PolarHBondContact O-N 2.88Å; V2011-G2014 PolarHBondContact O-N 2.93Å; G2014-I2017 PolarHBondContact O-N 3.42Å; G2014-F2018 WeakPolarHBondContact O-CB 3.31Å; G2014-F2018 PolarHBondContact O-N 2.79Å |
| 2015 | L | 77.8 | Confident | 73.4 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 55% | 0.55 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.1 | -122.2 | 162.7 | 0 | 0 | 0 | 112.1 | V2011 I2012 I2013 F2018 L2019 | V2011-L2015 WeakPolarHBondContact O-CB 3.3Å; V2011-L2015 PolarHBondContact O-N 2.68Å; I2012-L2015 PolarHBondContact O-N 3.13Å; I2013-L2015 PolarHBondContact O-N 2.86Å; L2015-F2018 PolarHBondContact O-N 3.45Å; L2015-L2019 HydrophobicContact CD2-CD1 4.34Å; L2015-L2019 WeakPolarHBondContact O-CB 3.4Å; L2015-L2019 PolarHBondContact O-N 3.35Å |
| 2016 | L | 77.6 | Confident | 74.1 | Confident | 92 Ų | 92 | 99.2 Ų | 99.2 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 174.6 | -96 | 160.6 | 0 | 0 | 0 | 112.6 | I2012 I2013 F2018 L2019 I2020 | I2012-L2016 HydrophobicContact CG2-CD1 4.39Å; I2012-L2016 PolarHBondContact O-N 2.85Å; I2013-L2016 PolarHBondContact O-N 2.84Å; L2016-F2018 VanDerWaalsContact C-N 3.35Å; L2016-L2019 PolarHBondContact O-N 2.95Å; L2016-I2020 VanDerWaalsContact O-CG1 3.27Å; L2016-I2020 WeakPolarHBondContact O-CG1 3.46Å; L2016-I2020 PolarHBondContact O-N 2.87Å |
| 2017 | I | 78 | Confident | 74.6 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176 | -69.3 | 168.8 | 0 | 0 | 0 | 110.3 | I2013 G2014 L2019 I2020 I2021 | I2013-I2017 HydrophobicContact CG2-CD1 3.75Å; I2013-I2017 HydrophobicContact CG2-CG1 4.36Å; I2013-I2017 WeakPolarHBondContact O-CG1 3.39Å; I2013-I2017 PolarHBondContact O-N 3.38Å; G2014-I2017 PolarHBondContact O-N 3.42Å; I2017-L2019 PolarHBondContact O-N 3.29Å; I2017-I2020 PolarHBondContact O-N 3.31Å; I2017-I2021 HydrophobicContact CG2-CD1 3.74Å; I2017-I2021 HydrophobicContact CG2-CG1 4.4Å; I2017-I2021 WeakPolarHBondContact O-CG1 3.35Å; I2017-I2021 PolarHBondContact O-N 3.27Å |
| 2018 | F | 79.1 | Confident | 75 | Confident | 159 Ų | 159 | 96.6 Ų | 96.6 | 70% | 0.697 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 177.1 | -167.1 | -93.6 | 0 | 0 | 0 | 111.9 | G2014 L2015 L2016 I2021 G2022 | G2014-F2018 WeakPolarHBondContact O-CB 3.31Å; G2014-F2018 PolarHBondContact O-N 2.79Å; L2015-F2018 PolarHBondContact O-N 3.45Å; L2016-F2018 VanDerWaalsContact C-N 3.35Å; F2018-I2021 PolarHBondContact O-N 2.88Å; F2018-G2022 PolarHBondContact O-N 3Å |
| 2019 | L | 79.6 | Confident | 75.2 | Confident | 107 Ų | 107 | 96.6 Ų | 96.6 | 56% | 0.56 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -44.9 | 172.1 | -88 | 163.2 | 0 | 0 | 0 | 112.5 | L2015 L2016 I2017 G2022 L2023 | L2015-L2019 HydrophobicContact CD2-CD1 4.34Å; L2015-L2019 WeakPolarHBondContact O-CB 3.4Å; L2015-L2019 PolarHBondContact O-N 3.35Å; L2016-L2019 PolarHBondContact O-N 2.95Å; I2017-L2019 PolarHBondContact O-N 3.29Å; L2019-G2022 PolarHBondContact O-N 2.67Å; L2019-L2023 VanDerWaalsContact O-CB 3.27Å; L2019-L2023 WeakPolarHBondContact O-CB 3.41Å; L2019-L2023 PolarHBondContact O-N 3.18Å |
| 2020 | I | 79.3 | Confident | 75.5 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 178.4 | -70 | 163.7 | 0 | 0 | 0 | 111.1 | L2016 I2017 L2023 L2024 | L2016-I2020 VanDerWaalsContact O-CG1 3.27Å; L2016-I2020 WeakPolarHBondContact O-CG1 3.46Å; L2016-I2020 PolarHBondContact O-N 2.87Å; I2017-I2020 PolarHBondContact O-N 3.31Å; I2020-L2023 PolarHBondContact O-N 2.58Å; I2020-L2024 HydrophobicContact CG2-CD1 4.17Å; I2020-L2024 WeakPolarHBondContact O-CB 3.25Å; I2020-L2024 PolarHBondContact O-N 3.41Å |
| 2021 | I | 78.1 | Confident | 75.3 | Confident | 90 Ų | 90 | 93.6 Ų | 93.6 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.8 | -69.1 | 169.5 | 0 | 0 | 0 | 110.4 | I2017 F2018 L2023 L2024 I2025 | I2017-I2021 HydrophobicContact CG2-CD1 3.74Å; I2017-I2021 HydrophobicContact CG2-CG1 4.4Å; I2017-I2021 WeakPolarHBondContact O-CG1 3.35Å; I2017-I2021 PolarHBondContact O-N 3.27Å; F2018-I2021 PolarHBondContact O-N 2.88Å; I2021-L2023 VanDerWaalsContact C-N 3.33Å; I2021-L2023 PolarHBondContact O-N 3.17Å; I2021-L2024 PolarHBondContact O-N 2.83Å; I2021-I2025 HydrophobicContact CG2-CD1 3.9Å; I2021-I2025 VanDerWaalsContact O-CG1 3.31Å; I2021-I2025 WeakPolarHBondContact O-CG1 3.49Å; I2021-I2025 PolarHBondContact O-N 2.7Å |
| 2022 | G | 80 | Confident | 75 | Confident | 31 Ų | 31 | 92.3 Ų | 92.3 | 32% | 0.32 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F2018 L2019 I2025 V2026 | F2018-G2022 PolarHBondContact O-N 3Å; L2019-G2022 PolarHBondContact O-N 2.67Å; G2022-I2025 PolarHBondContact O-N 2.85Å; G2022-V2026 WeakPolarHBondContact O-CG2 3.43Å; G2022-V2026 PolarHBondContact O-N 2.86Å |
| 2023 | L | 79 | Confident | 74.5 | Confident | 108 Ų | 108 | 94.4 Ų | 94.4 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -37.4 | 179 | -159.1 | 155 | 0 | 0 | 0 | 111.7 | L2019 I2020 I2021 V2026 L2027 | L2019-L2023 VanDerWaalsContact O-CB 3.27Å; L2019-L2023 WeakPolarHBondContact O-CB 3.41Å; L2019-L2023 PolarHBondContact O-N 3.18Å; I2020-L2023 PolarHBondContact O-N 2.58Å; I2021-L2023 VanDerWaalsContact C-N 3.33Å; I2021-L2023 PolarHBondContact O-N 3.17Å; L2023-V2026 PolarHBondContact O-N 2.91Å; L2023-L2027 HydrophobicContact CD2-CD1 3.59Å; L2023-L2027 HydrophobicContact CD2-CG 4.08Å; L2023-L2027 WeakPolarHBondContact O-CB 3.41Å; L2023-L2027 WeakPolarHBondContact O-CG 3.31Å; L2023-L2027 PolarHBondContact O-N 2.76Å |
| 2024 | L | 78.2 | Confident | 73.5 | Confident | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 170.6 | -85.2 | 166.3 | 0 | 0 | 0 | 112.5 | I2020 I2021 L2027 F2028 | I2020-L2024 HydrophobicContact CG2-CD1 4.17Å; I2020-L2024 WeakPolarHBondContact O-CB 3.25Å; I2020-L2024 PolarHBondContact O-N 3.41Å; I2021-L2024 PolarHBondContact O-N 2.83Å; L2024-L2027 PolarHBondContact O-N 3.02Å; L2024-F2028 VanDerWaalsContact O-CB 3.26Å; L2024-F2028 WeakPolarHBondContact O-CB 3.34Å; L2024-F2028 PolarHBondContact O-N 2.98Å |
| 2025 | I | 77 | Confident | 72.6 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.5 | -69 | 165.1 | 0 | 0 | 0 | 110.4 | I2021 G2022 F2028 V2029 | I2021-I2025 HydrophobicContact CG2-CD1 3.9Å; I2021-I2025 VanDerWaalsContact O-CG1 3.31Å; I2021-I2025 WeakPolarHBondContact O-CG1 3.49Å; I2021-I2025 PolarHBondContact O-N 2.7Å; G2022-I2025 PolarHBondContact O-N 2.85Å; I2025-F2028 PolarHBondContact O-N 2.93Å; I2025-V2029 WeakPolarHBondContact O-CG2 3.44Å; I2025-V2029 PolarHBondContact O-N 2.99Å |
| 2026 | V | 78.6 | Confident | 71.7 | Confident | 100 Ų | 100 | 100.2 Ų | 100.2 | 61% | 0.606 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -46 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | G2022 L2023 F2028 V2029 Y2030 | G2022-V2026 WeakPolarHBondContact O-CG2 3.43Å; G2022-V2026 PolarHBondContact O-N 2.86Å; L2023-V2026 PolarHBondContact O-N 2.91Å; V2026-F2028 VanDerWaalsContact C-N 3.33Å; V2026-F2028 PolarHBondContact O-N 2.72Å; V2026-V2029 PolarHBondContact O-N 3.41Å; V2026-Y2030 VanDerWaalsContact O-CB 3.28Å; V2026-Y2030 WeakPolarHBondContact O-CB 3.39Å; V2026-Y2030 PolarHBondContact O-N 2.96Å |
| 2027 | L | 73.2 | Confident | 70.8 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 174.7 | -79.2 | 172.1 | 0 | 0 | 0 | 112.5 | L2023 L2024 Y2030 A2031 | L2023-L2027 HydrophobicContact CD2-CD1 3.59Å; L2023-L2027 HydrophobicContact CD2-CG 4.08Å; L2023-L2027 WeakPolarHBondContact O-CB 3.41Å; L2023-L2027 WeakPolarHBondContact O-CG 3.31Å; L2023-L2027 PolarHBondContact O-N 2.76Å; L2024-L2027 PolarHBondContact O-N 3.02Å; L2027-Y2030 PolarHBondContact O-N 2.96Å; L2027-A2031 WeakPolarHBondContact O-CB 3.3Å; L2027-A2031 PolarHBondContact O-N 2.8Å |
| 2028 | F | 70.6 | Confident | 69.7 | Low | 144 Ų | 144 | 104.1 Ų | 104.1 | 63% | 0.632 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.2 | -46.3 | 178.4 | -173.2 | -101 | 0 | 0 | 0 | 111.6 | L2024 I2025 V2026 Y2030 A2031 I2032 | L2024-F2028 VanDerWaalsContact O-CB 3.26Å; L2024-F2028 WeakPolarHBondContact O-CB 3.34Å; L2024-F2028 PolarHBondContact O-N 2.98Å; I2025-F2028 PolarHBondContact O-N 2.93Å; V2026-F2028 VanDerWaalsContact C-N 3.33Å; V2026-F2028 PolarHBondContact O-N 2.72Å; F2028-Y2030 VanDerWaalsContact C-N 3.31Å; F2028-Y2030 PolarHBondContact O-N 3.43Å; F2028-A2031 PolarHBondContact O-N 3Å; F2028-I2032 HydrophobicContact CD1-CD1 3.97Å; F2028-I2032 HydrophobicContact CE1-CD1 3.77Å; F2028-I2032 HydrophobicContact CZ-CD1 4.46Å; F2028-I2032 WeakPolarHBondContact O-CG1 3.35Å; F2028-I2032 PolarHBondContact O-N 3.45Å |
| 2029 | V | 69 | Low | 68.6 | Low | 95 Ų | 95 | 105.6 Ų | 105.6 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.5 | -40.1 | 174 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | I2025 V2026 A2031 P2033 | I2025-V2029 WeakPolarHBondContact O-CG2 3.44Å; I2025-V2029 PolarHBondContact O-N 2.99Å; V2026-V2029 PolarHBondContact O-N 3.41Å; V2029-A2031 VanDerWaalsContact C-N 3.34Å; V2029-A2031 PolarHBondContact O-N 3.08Å; V2029-P2033 WeakPolarHBondContact O-CD 3.44Å |
| 2030 | Y | 70.1 | Confident | 67.3 | Low | 187 Ų | 187 | 108.6 Ų | 108.6 | 73% | 0.733 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -31.9 | 176.8 | -172 | -96.2 | 0 | 0 | 0 | 113.3 | V2026 L2027 F2028 | V2026-Y2030 VanDerWaalsContact O-CB 3.28Å; V2026-Y2030 WeakPolarHBondContact O-CB 3.39Å; V2026-Y2030 PolarHBondContact O-N 2.96Å; L2027-Y2030 PolarHBondContact O-N 2.96Å; F2028-Y2030 VanDerWaalsContact C-N 3.31Å; F2028-Y2030 PolarHBondContact O-N 3.43Å |
| 2031 | A | 64.8 | Low | 66 | Low | 41 Ų | 41 | 108.4 Ų | 108.4 | 34% | 0.339 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -82.6 | -16.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2027 F2028 V2029 P2034 | L2027-A2031 WeakPolarHBondContact O-CB 3.3Å; L2027-A2031 PolarHBondContact O-N 2.8Å; F2028-A2031 PolarHBondContact O-N 3Å; V2029-A2031 VanDerWaalsContact C-N 3.34Å; V2029-A2031 PolarHBondContact O-N 3.08Å; A2031-P2034 WeakPolarHBondContact O-CD 3.44Å; A2031-P2034 WeakPolarHBondContact O-CG 3.41Å |
| 2032 | I | 64.4 | Low | 64.3 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 34% | 0.338 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.7 | -47 | -176.9 | -79 | 166 | 0 | 0 | 0 | 113.9 | F2028 L2035 L2036 | F2028-I2032 HydrophobicContact CD1-CD1 3.97Å; F2028-I2032 HydrophobicContact CE1-CD1 3.77Å; F2028-I2032 HydrophobicContact CZ-CD1 4.46Å; F2028-I2032 WeakPolarHBondContact O-CG1 3.35Å; F2028-I2032 PolarHBondContact O-N 3.45Å; I2032-L2035 PolarHBondContact O-N 2.84Å; I2032-L2036 HydrophobicContact CG2-CD1 3.56Å; I2032-L2036 HydrophobicContact CG2-CG 4.17Å; I2032-L2036 PolarHBondContact O-N 2.72Å |
| 2033 | P | 60.3 | Low | 62.3 | Low | 81 Ų | 81 | 115.2 Ų | 115.2 | 53% | 0.526 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -55.5 | -49 | -176.9 | -25.4 | 33.9 | 0 | 0 | 0 | 115.2 | V2029 L2035 L2036 A2037 | V2029-P2033 WeakPolarHBondContact O-CD 3.44Å; P2033-L2035 VanDerWaalsContact C-N 3.33Å; P2033-L2035 PolarHBondContact O-N 2.87Å; P2033-L2036 PolarHBondContact O-N 3.11Å; P2033-A2037 WeakPolarHBondContact O-CB 3.22Å; P2033-A2037 PolarHBondContact O-N 3.46Å |
| 2034 | P | 54.8 | Low | 61.5 | Low | 81 Ų | 81 | 115.6 Ų | 115.6 | 53% | 0.526 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.2 | -28.2 | 178.3 | 26.7 | -34.5 | 0 | 0 | 0 | 113.4 | A2031 R2038 | A2031-P2034 WeakPolarHBondContact O-CD 3.44Å; A2031-P2034 WeakPolarHBondContact O-CG 3.41Å; P2034-R2038 PolarHBondContact O-N 3.45Å |
| 2035 | L | 55.8 | Low | 60.6 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.8 | -36.3 | 175.1 | -91.1 | 163.3 | 0 | 0 | 0 | 112.8 | I2032 P2033 | I2032-L2035 PolarHBondContact O-N 2.84Å; P2033-L2035 VanDerWaalsContact C-N 3.33Å; P2033-L2035 PolarHBondContact O-N 2.87Å |
| 2036 | L | 58.5 | Low | 59.7 | Low | 104 Ų | 104 | 116.8 Ų | 116.8 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.3 | -41.4 | 172.9 | -76.3 | 172.9 | 0 | 0 | 0 | 111.8 | I2032 P2033 R2038 K2039 M2040 | I2032-L2036 HydrophobicContact CG2-CD1 3.56Å; I2032-L2036 HydrophobicContact CG2-CG 4.17Å; I2032-L2036 PolarHBondContact O-N 2.72Å; P2033-L2036 PolarHBondContact O-N 3.11Å; L2036-R2038 PolarHBondContact O-N 3.24Å; L2036-K2039 PolarHBondContact O-N 3.41Å; L2036-M2040 PolarHBondContact O-N 2.87Å; L2036-M2040 VanDerWaalsContact O-N 3.09Å |
| 2037 | A | 58.5 | Low | 58.6 | Low | 58 Ų | 58 | 117.8 Ų | 117.8 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -56.6 | -48.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P2033 K2039 M2040 V2041 | P2033-A2037 WeakPolarHBondContact O-CB 3.22Å; P2033-A2037 PolarHBondContact O-N 3.46Å; A2037-K2039 PolarHBondContact O-N 2.64Å; A2037-K2039 VanDerWaalsContact O-N 3.17Å; A2037-M2040 PolarHBondContact O-N 2.83Å; A2037-V2041 PolarHBondContact O-N 3.35Å |
| 2038 | R | 55.4 | Low | 57.7 | Low | 208 Ų | 208 | 119.2 Ų | 119.2 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.7 | -13.1 | 176.4 | -90 | -175.9 | 167.3 | 169.6 | -1.3 | 115.6 | P2034 L2036 | P2034-R2038 PolarHBondContact O-N 3.45Å; L2036-R2038 PolarHBondContact O-N 3.24Å |
| 2039 | K | 54.8 | Low | 56.8 | Low | 190 Ų | 190 | 117.5 Ų | 117.5 | 83% | 0.826 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -105.4 | -20.1 | -179.4 | -136.9 | 179.9 | -174.6 | -177 | 0 | 113.4 | L2036 A2037 | L2036-K2039 PolarHBondContact O-N 3.41Å; A2037-K2039 PolarHBondContact O-N 2.64Å; A2037-K2039 VanDerWaalsContact O-N 3.17Å |
| 2040 | M | 52.9 | Low | 55.9 | Low | 170 Ų | 170 | 119.1 Ų | 119.1 | 84% | 0.837 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -94.9 | -29.6 | 174.7 | -81.3 | -172.4 | 152.9 | 0 | 0 | 113.5 | L2036 A2037 | L2036-M2040 PolarHBondContact O-N 2.87Å; L2036-M2040 VanDerWaalsContact O-N 3.09Å; A2037-M2040 PolarHBondContact O-N 2.83Å |
| 2041 | V | 52.5 | Low | 54.8 | Low | 93 Ų | 93 | 113.9 Ų | 113.9 | 56% | 0.564 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -108.9 | 117.9 | 173 | -172.4 | 0 | 0 | 0 | 0 | 107.6 | A2037 V2043 | A2037-V2041 PolarHBondContact O-N 3.35Å; V2041-V2043 HydrophobicContact CG1-CB 4.48Å; V2041-V2043 HydrophobicContact CG1-CG2 4.22Å; V2041-V2043 PolarHBondContact O-N 2.94Å |
| 2042 | G | 42.6 | Very low | 54 | Low | 87 Ų | 87 | 120 Ų | 120 | 90% | 0.897 | 67% | 0.671 | S | S | * | * | trans | -77.4 | 59.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2043 | V | 37.4 | Very low | 53 | Low | 178 Ų | 178 | 124.9 Ų | 124.9 | 100% | 1.079 | 70% | 0.701 | S | S | * | * | trans | -140.1 | 0 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | V2041 | V2041-V2043 HydrophobicContact CG1-CB 4.48Å; V2041-V2043 HydrophobicContact CG1-CG2 4.22Å; V2041-V2043 PolarHBondContact O-N 2.94Å |
Retrieved 2,043 of 2,043 residues in 1930.1 ms
(Link to these results)